smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cn1 ZINC000393090327 836061825 /nfs/dbraw/zinc/06/18/25/836061825.db2.gz RTVMFCLXOKIJLN-UHFFFAOYSA-N -2 0 374.325 0.406 20 0 FCADRL C[C@H]1[C@H](NC(=O)c2ccc(C(F)(F)F)cc2O)C(=O)N1S(=O)(=O)[O-] ZINC001148798763 849618716 /nfs/dbraw/zinc/61/87/16/849618716.db2.gz BSGDWDNKAAUINV-CDUCUWFYSA-N -2 0 368.289 0.543 20 0 FCADRL CCOC(=O)c1nc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])cn1C ZINC001148917151 849620818 /nfs/dbraw/zinc/62/08/18/849620818.db2.gz MOVOSYBHYDGVBX-UHFFFAOYSA-N -2 0 369.355 0.801 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cc2ncc(Br)cn2n1 ZINC001150798035 849671122 /nfs/dbraw/zinc/67/11/22/849671122.db2.gz YBVORDDLPZDFPQ-UHFFFAOYSA-N -2 0 365.080 0.331 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ncc(Br)cc2[O-])C1=O ZINC001156423300 849907908 /nfs/dbraw/zinc/90/79/08/849907908.db2.gz DBJOXYFKYPAENK-GFCCVEGCSA-N -2 0 357.164 0.915 20 0 FCADRL C[C@H]1C(=O)NN=C2COc3ccc(NCCOP(=O)([O-])[O-])cc3N21 ZINC001168592155 850590468 /nfs/dbraw/zinc/59/04/68/850590468.db2.gz KMQGIPSXNOZERK-QMMMGPOBSA-N -2 0 356.275 0.238 20 0 FCADRL Cc1nn(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1C(N)=O ZINC001184659504 851316844 /nfs/dbraw/zinc/31/68/44/851316844.db2.gz HYMUSNWVKSQPFU-UHFFFAOYSA-N -2 0 352.372 0.635 20 0 FCADRL COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184711439 851319049 /nfs/dbraw/zinc/31/90/49/851319049.db2.gz TYWBDIDVCXVUEP-NSHDSACASA-N -2 0 359.356 0.378 20 0 FCADRL O=C([O-])CNC(=O)c1ccc([N-]S(=O)(=O)c2cnc(Cl)nc2)cc1 ZINC001185052743 851336519 /nfs/dbraw/zinc/33/65/19/851336519.db2.gz QHYYACMAOXIPIX-UHFFFAOYSA-N -2 0 370.774 0.745 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2nc(F)ccc2C(N)=O)cc1C(=O)[O-] ZINC001185275411 851349205 /nfs/dbraw/zinc/34/92/05/851349205.db2.gz LJBPZDYFDIHASY-UHFFFAOYSA-N -2 0 369.330 0.827 20 0 FCADRL CC(C)(C)OC(=O)N1CC(=O)CC[C@@H]1C(=O)NCCOP(=O)([O-])[O-] ZINC001185510910 851360286 /nfs/dbraw/zinc/36/02/86/851360286.db2.gz BSDMYOZWGNKMFD-SNVBAGLBSA-N -2 0 366.307 0.181 20 0 FCADRL COC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1 ZINC001187762596 851605342 /nfs/dbraw/zinc/60/53/42/851605342.db2.gz QLZBOTIXAMWCIU-UHFFFAOYSA-N -2 0 360.373 0.255 20 0 FCADRL O=P([O-])([O-])OCCNS(=O)(=O)Cc1cccc(Br)c1 ZINC001188696657 851721512 /nfs/dbraw/zinc/72/15/12/851721512.db2.gz QKGIXNFDOXRBLU-UHFFFAOYSA-N -2 0 374.149 0.978 20 0 FCADRL COC(=O)CC[C@@H]1COCCN1C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189886199 851836897 /nfs/dbraw/zinc/83/68/97/851836897.db2.gz ASJORQLUGDIQKE-LLVKDONJSA-N -2 0 373.298 0.952 20 0 FCADRL COc1ncnc(OC)c1CNC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189900019 851838660 /nfs/dbraw/zinc/83/86/60/851838660.db2.gz NDSITHDEIIIONW-UHFFFAOYSA-N -2 0 369.270 0.895 20 0 FCADRL CCN=c1ncc(N)cn1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189914607 851841443 /nfs/dbraw/zinc/84/14/43/851841443.db2.gz LGMUJHRMSSZFOT-UHFFFAOYSA-N -2 0 366.355 0.019 20 0 FCADRL C[C@H](NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1)c1cncnc1 ZINC001189934704 851846423 /nfs/dbraw/zinc/84/64/23/851846423.db2.gz WRJJCYFRXMOURN-QMMMGPOBSA-N -2 0 351.340 0.913 20 0 FCADRL Cc1ncc(CNC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)cn1 ZINC001189934926 851846614 /nfs/dbraw/zinc/84/66/14/851846614.db2.gz ZUCWCXQYZDPGOX-UHFFFAOYSA-N -2 0 351.340 0.660 20 0 FCADRL O=C([O-])c1cc(C(=O)NC2(c3ncccn3)CC2)cc(S(=O)(=O)[O-])c1 ZINC001189941358 851847320 /nfs/dbraw/zinc/84/73/20/851847320.db2.gz JOINMCTVTNULAG-UHFFFAOYSA-N -2 0 363.351 0.841 20 0 FCADRL NC(=O)[C@@H]1CC12CCN(C(=O)c1ccccc1OP(=O)([O-])[O-])CC2 ZINC001278366835 862306491 /nfs/dbraw/zinc/30/64/91/862306491.db2.gz RPFUXNNUZMJQJX-NSHDSACASA-N -2 0 354.299 0.886 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]c2nccnc2C(N)=O)cc1C(=O)[O-] ZINC001192608770 852263798 /nfs/dbraw/zinc/26/37/98/852263798.db2.gz LUZHUVCUAPFBSL-UHFFFAOYSA-N -2 0 366.355 0.473 20 0 FCADRL CCOc1ccc(S(=O)(=O)N[C@@H]2SC(=O)[N-]C2=O)cc1C(=O)[O-] ZINC001192656134 852270538 /nfs/dbraw/zinc/27/05/38/852270538.db2.gz GHHJNWQVVJXCOV-SNVBAGLBSA-N -2 0 360.369 0.371 20 0 FCADRL COc1cccc(Cn2ccnc2C(=O)NCCOP(=O)([O-])[O-])c1 ZINC001198486441 853277862 /nfs/dbraw/zinc/27/78/62/853277862.db2.gz QRBSHQIUNOURKG-UHFFFAOYSA-N -2 0 355.287 0.779 20 0 FCADRL CCCc1nn(C)c(C(N)=O)c1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198739255 853310924 /nfs/dbraw/zinc/31/09/24/853310924.db2.gz OONOGOKQUMQVIA-UHFFFAOYSA-N -2 0 366.399 0.971 20 0 FCADRL COc1ccc(Cn2cnc(C(=O)NCCOP(=O)([O-])[O-])c2)cc1 ZINC001199483674 853431617 /nfs/dbraw/zinc/43/16/17/853431617.db2.gz PJOANBHFSIOFEN-UHFFFAOYSA-N -2 0 355.287 0.779 20 0 FCADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(NC(=S)NC2CC2)c1 ZINC001200630628 853505839 /nfs/dbraw/zinc/50/58/39/853505839.db2.gz RJYHGNYWSGJGQG-UHFFFAOYSA-N -2 0 352.415 0.629 20 0 FCADRL O=C([O-])C[C@@H](C(=O)OCc1nnc(-c2ccccc2)o1)[C@H](O)C(=O)[O-] ZINC001222934650 856882787 /nfs/dbraw/zinc/88/27/87/856882787.db2.gz BAEUZVQSQSEVRV-SKDRFNHKSA-N -2 0 350.283 0.316 20 0 FCADRL COC(=O)[C@@H](OC(=O)[C@H](O)COP(=O)([O-])[O-])c1ccccc1Cl ZINC001223024120 856891151 /nfs/dbraw/zinc/89/11/51/856891151.db2.gz RYOBROAROUAKBS-ZJUUUORDSA-N -2 0 368.662 0.568 20 0 FCADRL Cc1noc(C(Cl)(Cl)OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001223699408 856938267 /nfs/dbraw/zinc/93/82/67/856938267.db2.gz PTBYIJFFTYJKTR-XINAWCOVSA-N -2 0 357.102 0.046 20 0 FCADRL Cc1ccnc(-c2cc(COC(=O)[C@H](O)COP(=O)([O-])[O-])ccn2)c1 ZINC001223977905 856954557 /nfs/dbraw/zinc/95/45/57/856954557.db2.gz NNHBLBCTYYHHLW-CQSZACIVSA-N -2 0 368.282 0.965 20 0 FCADRL O=C([O-])C[C@H](C(=O)OCCOc1ccc2c(c1)CCC2)[C@H](O)C(=O)[O-] ZINC001224303957 856977705 /nfs/dbraw/zinc/97/77/05/856977705.db2.gz GHGAMPRCUOGKBV-ZFWWWQNUSA-N -2 0 352.339 0.634 20 0 FCADRL CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001224436558 856984164 /nfs/dbraw/zinc/98/41/64/856984164.db2.gz NPSSBQSCHRZEBB-VHSXEESVSA-N -2 0 369.307 0.399 20 0 FCADRL COc1cc(CCOC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(OC)c1 ZINC001224975273 857010648 /nfs/dbraw/zinc/01/06/48/857010648.db2.gz GMMKOJJTRINFMI-TZMCWYRMSA-N -2 0 356.327 0.326 20 0 FCADRL CC(C)(C)OC(=O)N1CC(C)(COC(=O)[C@H](O)COP(=O)([O-])[O-])C1 ZINC001225061591 857016945 /nfs/dbraw/zinc/01/69/45/857016945.db2.gz LHPIHIKMWKNDQY-SECBINFHSA-N -2 0 369.307 0.257 20 0 FCADRL Cc1nc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccc1Br ZINC001225748250 857058367 /nfs/dbraw/zinc/05/83/67/857058367.db2.gz CVUCTIPAYNXUDJ-QUBYGPBYSA-N -2 0 362.132 0.594 20 0 FCADRL CCOC(=O)c1c(C)cccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225810017 857061184 /nfs/dbraw/zinc/06/11/84/857061184.db2.gz JXZQTFFCBHHXSA-ZANVPECISA-N -2 0 354.311 0.614 20 0 FCADRL CCC(=O)c1cc(F)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(F)c1 ZINC001225891199 857070121 /nfs/dbraw/zinc/07/01/21/857070121.db2.gz HOVFFOAJVLOMDY-JVXZTZIISA-N -2 0 360.265 0.999 20 0 FCADRL Nc1nc(-c2ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc2)cs1 ZINC001226027186 857080227 /nfs/dbraw/zinc/08/02/27/857080227.db2.gz TZFCOLPEKHVRHE-SNVBAGLBSA-N -2 0 360.284 0.768 20 0 FCADRL Cc1cc(C(F)(F)F)cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001226186858 857088330 /nfs/dbraw/zinc/08/83/30/857088330.db2.gz QDWZQHWVRZHKOJ-GMSGAONNSA-N -2 0 351.233 0.851 20 0 FCADRL Cc1cc(C(F)(F)F)cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001226186869 857088375 /nfs/dbraw/zinc/08/83/75/857088375.db2.gz QDWZQHWVRZHKOJ-OIBJUYFYSA-N -2 0 351.233 0.851 20 0 FCADRL CCOC(=O)Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001226396578 857102094 /nfs/dbraw/zinc/10/20/94/857102094.db2.gz IZZQVDGMNKZIDK-FZMZJTMJSA-N -2 0 354.311 0.234 20 0 FCADRL CCOC(=O)c1c(Cl)cccc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001226793476 857126096 /nfs/dbraw/zinc/12/60/96/857126096.db2.gz ZBBUQLFCDINBHO-MRVPVSSYSA-N -2 0 368.662 0.892 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1c(O)cccc1Br)[C@H](O)C(=O)[O-] ZINC001227024931 857137392 /nfs/dbraw/zinc/13/73/92/857137392.db2.gz KSEFTMTTXICUGF-CDUCUWFYSA-N -2 0 363.116 0.597 20 0 FCADRL CCc1cc2c(ncnc2OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])s1 ZINC001227100608 857140438 /nfs/dbraw/zinc/14/04/38/857140438.db2.gz KCKOMQWNNLZQTP-OIBJUYFYSA-N -2 0 354.340 0.696 20 0 FCADRL CCOC(=O)c1ccc(F)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227147646 857146193 /nfs/dbraw/zinc/14/61/93/857146193.db2.gz ONNGEYWQSDMXGI-BXKDBHETSA-N -2 0 358.274 0.444 20 0 FCADRL CCOC(=O)c1cccc(O)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227158923 857147017 /nfs/dbraw/zinc/14/70/17/857147017.db2.gz ACEDBDNBXFTHFJ-GZMMTYOYSA-N -2 0 356.283 0.011 20 0 FCADRL COC(=O)c1cc(C(C)=O)ccc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001227170866 857147619 /nfs/dbraw/zinc/14/76/19/857147619.db2.gz PGYHFPRPEGSNAT-SNVBAGLBSA-N -2 0 362.227 0.051 20 0 FCADRL CCOC(=O)c1c(C)cc(O)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001227213020 857148878 /nfs/dbraw/zinc/14/88/78/857148878.db2.gz OUPFTLGKVQYXRX-SECBINFHSA-N -2 0 364.243 0.253 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(Br)c(F)cn1)[C@H](O)C(=O)[O-] ZINC001227580602 857166053 /nfs/dbraw/zinc/16/60/53/857166053.db2.gz FJIZUALDTKVFIL-MOFOKWOHSA-N -2 0 366.095 0.425 20 0 FCADRL CC(C)OC(=O)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227614596 857167371 /nfs/dbraw/zinc/16/73/71/857167371.db2.gz IHBAHFWVTJQCFG-MFKMUULPSA-N -2 0 354.311 0.694 20 0 FCADRL CCOC(=O)c1oc(C(=O)OCC)c(OC(=O)[C@@H](O)CC(=O)[O-])c1[O-] ZINC001227641103 857168149 /nfs/dbraw/zinc/16/81/49/857168149.db2.gz PTOYSKHLTVPDTH-LURJTMIESA-N -2 0 360.271 0.080 20 0 FCADRL O=C([O-])C[C@@H](O)C(=O)Oc1cc2cc(S(=O)(=O)[O-])ccc2cc1O ZINC001227636074 857168465 /nfs/dbraw/zinc/16/84/65/857168465.db2.gz SAJNNEAJWXJIHU-LLVKDONJSA-N -2 0 356.308 0.533 20 0 FCADRL Cc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(Br)n1 ZINC001228066757 857190640 /nfs/dbraw/zinc/19/06/40/857190640.db2.gz LWGWFSVJNYNWHQ-ZCFIWIBFSA-N -2 0 356.065 0.528 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1nnc(Cl)c2ccccc21)[C@H](O)C(=O)[O-] ZINC001228280881 857200080 /nfs/dbraw/zinc/20/00/80/857200080.db2.gz UXQQHJAXIIWHRS-SCZZXKLOSA-N -2 0 354.702 0.725 20 0 FCADRL COc1cccc2c(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc(C)nc12 ZINC001228500424 857213455 /nfs/dbraw/zinc/21/34/55/857213455.db2.gz HLRUPOMYTNFXQU-SNVBAGLBSA-N -2 0 357.255 0.927 20 0 FCADRL O=C(Oc1ccnc(Br)c1F)[C@H](O)COP(=O)([O-])[O-] ZINC001228540094 857214004 /nfs/dbraw/zinc/21/40/04/857214004.db2.gz JGISFIJTPRHRHK-SCSAIBSYSA-N -2 0 360.028 0.359 20 0 FCADRL Cc1cc(Br)ncc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228702271 857224013 /nfs/dbraw/zinc/22/40/13/857224013.db2.gz OCVOEFXAKGOOAM-WKEGUHRASA-N -2 0 362.132 0.594 20 0 FCADRL Cc1ccc(Br)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001228744947 857226938 /nfs/dbraw/zinc/22/69/38/857226938.db2.gz HBDWJELUNGAGOC-IMTBSYHQSA-N -2 0 362.132 0.594 20 0 FCADRL CCOC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc1C ZINC001228808862 857231255 /nfs/dbraw/zinc/23/12/55/857231255.db2.gz DIIJKSJWBRHTTE-SKDRFNHKSA-N -2 0 355.299 0.009 20 0 FCADRL COc1cccc2c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ncnc12 ZINC001228873938 857233060 /nfs/dbraw/zinc/23/30/60/857233060.db2.gz JPPSSRGPGUAABK-UFBFGSQYSA-N -2 0 350.283 0.080 20 0 FCADRL Cc1ccnc(Br)c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001229206984 857258728 /nfs/dbraw/zinc/25/87/28/857258728.db2.gz MJKDPMKDGQGFNT-ZCFIWIBFSA-N -2 0 356.065 0.528 20 0 FCADRL COc1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c2c(=O)cc(C)oc2c1 ZINC001229462177 857271272 /nfs/dbraw/zinc/27/12/72/857271272.db2.gz MNOCSVWICPKJHV-SNVBAGLBSA-N -2 0 374.238 0.486 20 0 FCADRL CCO[C@H](C)COc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-] ZINC001230143166 857306657 /nfs/dbraw/zinc/30/66/57/857306657.db2.gz BVXWTRDQCQRUFO-SSDOTTSWSA-N -2 0 356.374 0.689 20 0 FCADRL CC(C)N1CC(Oc2c(O)cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])C1 ZINC001230147112 857307266 /nfs/dbraw/zinc/30/72/66/857307266.db2.gz QKIGJYMVPSBTRK-UHFFFAOYSA-N -2 0 367.401 0.357 20 0 FCADRL O=C(Oc1c2occc2cc2ccc(=O)oc21)[C@H](O)COP(=O)([O-])[O-] ZINC001230256073 857318569 /nfs/dbraw/zinc/31/85/69/857318569.db2.gz QZKZPFHXPDQJTB-SECBINFHSA-N -2 0 370.206 0.915 20 0 FCADRL COc1cc2c(c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1)C(=O)CC2 ZINC001230545562 857343713 /nfs/dbraw/zinc/34/37/13/857343713.db2.gz JNVDFGYXQCOLTL-LKFCYVNXSA-N -2 0 352.295 0.266 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(C(=O)C(F)(F)F)cc1)[C@H](O)C(=O)[O-] ZINC001230700310 857346118 /nfs/dbraw/zinc/34/61/18/857346118.db2.gz FPONHUYAKPXPFN-WPRPVWTQSA-N -2 0 364.228 0.873 20 0 FCADRL COC(=O)/C=C/c1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001231012797 857353890 /nfs/dbraw/zinc/35/38/90/857353890.db2.gz OFPCUUMJGAYNRS-CCJKYYKNSA-N -2 0 352.295 0.315 20 0 FCADRL COC(=O)C[C@@H](C)c1cccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1 ZINC001231014113 857353997 /nfs/dbraw/zinc/35/39/97/857353997.db2.gz YUQBHRKWBLRAJD-BXKDBHETSA-N -2 0 362.271 0.729 20 0 FCADRL Cn1c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc2cc(Cl)cnc21 ZINC001231086840 857355687 /nfs/dbraw/zinc/35/56/87/857355687.db2.gz GBFUTTAPBTXKQQ-MUWHJKNJSA-N -2 0 357.706 0.064 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc(=O)oc2ccc(F)cc12)[C@@H](O)C(=O)[O-] ZINC001231180362 857357011 /nfs/dbraw/zinc/35/70/11/857357011.db2.gz OLDWVIQSOVEJOL-ISVAXAHUSA-N -2 0 354.242 0.374 20 0 FCADRL COC(=O)c1cc([O-])c(Br)c(OC(=O)[C@H](O)CC(=O)[O-])c1 ZINC001233905072 857391874 /nfs/dbraw/zinc/39/18/74/857391874.db2.gz OSILOVDVNRDNFB-SSDOTTSWSA-N -2 0 363.116 0.682 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ncnc2cc(F)c(F)cc21)[C@@H](O)C(=O)[O-] ZINC001234030434 857394794 /nfs/dbraw/zinc/39/47/94/857394794.db2.gz GBNHYHORXSCLHA-KSBSHMNSSA-N -2 0 356.237 0.350 20 0 FCADRL COC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(F)c1F ZINC001234401273 857403965 /nfs/dbraw/zinc/40/39/65/857403965.db2.gz ADUKEBGLCZLKSW-UPONEAKYSA-N -2 0 362.237 0.193 20 0 FCADRL CCOc1noc2cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc21 ZINC001234907377 857414751 /nfs/dbraw/zinc/41/47/51/857414751.db2.gz HCKQHRLPTQCMCI-SKDRFNHKSA-N -2 0 353.283 0.668 20 0 FCADRL COc1ccc(OCCCS(=O)(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001259651912 858279264 /nfs/dbraw/zinc/27/92/64/858279264.db2.gz QRQHLLHYSQGING-UHFFFAOYSA-N -2 0 369.332 0.493 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(N3CCOCC3)ncn2)c1 ZINC001260183253 858351524 /nfs/dbraw/zinc/35/15/24/858351524.db2.gz GNCVBOPCLFEGIO-UHFFFAOYSA-N -2 0 364.383 0.812 20 0 FCADRL Cn1cnc2ncnc-2c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260209890 858354881 /nfs/dbraw/zinc/35/48/81/858354881.db2.gz XWOBVAZDTPVQBO-UHFFFAOYSA-N -2 0 351.319 0.953 20 0 FCADRL COC(=O)[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC001260355827 858364049 /nfs/dbraw/zinc/36/40/49/858364049.db2.gz QIEFSHZHMIFCMP-VIFPVBQESA-N -2 0 355.290 0.789 20 0 FCADRL O=C(c1ncc(Br)cc1[O-])N1CCOC[C@H]1c1nnn[n-]1 ZINC001302137316 866311586 /nfs/dbraw/zinc/31/15/86/866311586.db2.gz LXHXQVZGDHLLMK-ZETCQYMHSA-N -2 0 355.152 0.277 20 0 FCADRL CCO[N-]C(=O)CNC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001312961425 867219795 /nfs/dbraw/zinc/21/97/95/867219795.db2.gz SBVQBXPCYRBJSD-IUCAKERBSA-N -2 0 354.329 0.295 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1cnc(Cl)cc1Cl)C(=O)[O-] ZINC001320446948 868170251 /nfs/dbraw/zinc/17/02/51/868170251.db2.gz RFJWQARLVMXESL-ZCFIWIBFSA-N -2 0 357.171 0.985 20 0 FCADRL O=C([O-])CCCC(=O)[N-]S(=O)(=O)c1nc(Br)cs1 ZINC001329656784 872160162 /nfs/dbraw/zinc/16/01/62/872160162.db2.gz YUXMMZZUXVSIHB-UHFFFAOYSA-N -2 0 357.207 0.965 20 0 FCADRL COC[C@@]1(C(=O)[O-])CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C1 ZINC001330100238 872463988 /nfs/dbraw/zinc/46/39/88/872463988.db2.gz RSXZZWCEPGILOE-OAHLLOKOSA-N -2 0 353.400 0.432 20 0 FCADRL O=C([O-])CCCC(=O)[N-]S(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC001348482110 872710512 /nfs/dbraw/zinc/71/05/12/872710512.db2.gz PNHWTAWNDMMBLW-UHFFFAOYSA-N -2 0 372.399 0.614 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001332148574 873392332 /nfs/dbraw/zinc/39/23/32/873392332.db2.gz MSZCRZGFZQHIDA-OPRDCNLKSA-N -2 0 352.309 0.647 20 0 FCADRL C[C@H]1Oc2ccc([N-]S(=O)(=O)c3n[nH]cc3C(=O)[O-])cc2NC1=O ZINC000324646338 971142813 /nfs/dbraw/zinc/14/28/13/971142813.db2.gz WBJYWEWFJORAOM-ZCFIWIBFSA-N -2 0 352.328 0.628 20 0 FCADRL O=Cc1cncc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC001595298026 950154875 /nfs/dbraw/zinc/15/48/75/950154875.db2.gz BNDQUWMWTXEMLH-WDEREUQCSA-N -2 0 373.287 0.630 20 0 FCADRL O=C([O-])CC1(NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CCOCC1 ZINC001594980288 950982732 /nfs/dbraw/zinc/98/27/32/950982732.db2.gz SVEUWQQCTJIFBB-UHFFFAOYSA-N -2 0 362.342 0.020 20 0 FCADRL COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000326579928 951101658 /nfs/dbraw/zinc/10/16/58/951101658.db2.gz ZCWYPZYMRFLOQY-CYBMUJFWSA-N -2 0 360.344 0.412 20 0 FCADRL CC(C)(C)OC(=O)N1CCC(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])CC1 ZINC001602885200 971775034 /nfs/dbraw/zinc/77/50/34/971775034.db2.gz FCOWMFPXVFEMGG-UHFFFAOYSA-N -2 0 364.420 0.697 20 0 FCADRL C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])[C@@H]1C(=O)[O-] ZINC001589329732 953944061 /nfs/dbraw/zinc/94/40/61/953944061.db2.gz QUQSIKPSOSLUOB-YGRLFVJLSA-N -2 0 370.427 0.968 20 0 FCADRL C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])[C@H]1C(=O)[O-] ZINC001589329730 953944135 /nfs/dbraw/zinc/94/41/35/953944135.db2.gz QUQSIKPSOSLUOB-IINYFYTJSA-N -2 0 370.427 0.968 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1n[nH]cc1F ZINC001594897174 954576804 /nfs/dbraw/zinc/57/68/04/954576804.db2.gz WCZAUYHVRGSZBH-POYBYMJQSA-N -2 0 352.244 0.285 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cnn2c1CCC2 ZINC000851702858 955823901 /nfs/dbraw/zinc/82/39/01/955823901.db2.gz NAHBVSIUTRJNDP-ONGXEEELSA-N -2 0 374.319 0.566 20 0 FCADRL O=C([O-])[C@H](CC(=O)OCc1ccccc1)NC(=O)CCCc1nnn[n-]1 ZINC001594686814 956714585 /nfs/dbraw/zinc/71/45/85/956714585.db2.gz LTQDXRZLJFGGKJ-LBPRGKRZSA-N -2 0 361.358 0.225 20 0 FCADRL O=C([O-])[C@]1([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCSC1 ZINC000389969059 972258487 /nfs/dbraw/zinc/25/84/87/972258487.db2.gz HEHCTIFEKNZEIS-NSHDSACASA-N -2 0 350.349 0.973 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCC[C@@H](C)[C@@H]3C(=O)[O-])cc2=O)n1 ZINC001594305926 957967027 /nfs/dbraw/zinc/96/70/27/957967027.db2.gz MNEVVIPBFULYOO-YMTOWFKASA-N -2 0 359.386 0.898 20 0 FCADRL C[C@@H](C(=O)[O-])C(=O)Nc1nnc([N-]S(=O)(=O)c2ccccc2)s1 ZINC001573374412 958648165 /nfs/dbraw/zinc/64/81/65/958648165.db2.gz JAJWEAWPNPTVGX-SSDOTTSWSA-N -2 0 356.385 0.998 20 0 FCADRL CC(=O)c1cc(F)c([O-])c(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)c1 ZINC001588528126 958880739 /nfs/dbraw/zinc/88/07/39/958880739.db2.gz SDXQCDMXYBMZNZ-SNVBAGLBSA-N -2 0 352.318 0.996 20 0 FCADRL CC(=O)c1ccc([O-])c(NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)c1 ZINC001588531287 958898940 /nfs/dbraw/zinc/89/89/40/958898940.db2.gz AAHUNXRZSSIVSU-UHFFFAOYSA-N -2 0 355.368 0.813 20 0 FCADRL Cc1cnn(C)c1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001594434775 959218659 /nfs/dbraw/zinc/21/86/59/959218659.db2.gz VAWBDQMZNWSFOZ-PSASIEDQSA-N -2 0 362.308 0.465 20 0 FCADRL Cc1[nH]nc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1[O-] ZINC001594441206 959272088 /nfs/dbraw/zinc/27/20/88/959272088.db2.gz UZYFHCFEVDHUQL-POYBYMJQSA-N -3 0 364.280 0.160 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CC(F)(F)CO)c(Br)o1 ZINC000228565379 960026237 /nfs/dbraw/zinc/02/62/37/960026237.db2.gz ZNHMXMRCFQBZAS-UHFFFAOYSA-N -2 0 364.120 0.646 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c1 ZINC001574232707 960419392 /nfs/dbraw/zinc/41/93/92/960419392.db2.gz PPSLLXVKIDTMCF-SSINHNECSA-N -2 0 370.427 0.241 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588785029 961339836 /nfs/dbraw/zinc/33/98/36/961339836.db2.gz BFRPHIXVVLYSJJ-QMMMGPOBSA-N -2 0 367.324 0.025 20 0 FCADRL Cc1nnc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])s1 ZINC001574436199 961413499 /nfs/dbraw/zinc/41/34/99/961413499.db2.gz HWLHCVQXQDWQBR-RNFRBKRXSA-N -2 0 366.321 0.583 20 0 FCADRL COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000316170852 963985365 /nfs/dbraw/zinc/98/53/65/963985365.db2.gz JGVQQMQIEQMRGR-NSHDSACASA-N -2 0 354.340 0.435 20 0 FCADRL O=C([O-])CN1CCCC[C@H]([N-]S(=O)(=O)c2c(F)cccc2F)C1=O ZINC001574724304 969872292 /nfs/dbraw/zinc/87/22/92/969872292.db2.gz RLLMCTSVMPHCBY-NSHDSACASA-N -2 0 362.354 0.709 20 0 FCADRL Cn1ncc2cc(S(=O)(=O)[N-]C(=O)c3cccc(C(=O)[O-])c3)cnc21 ZINC001605561687 973796087 /nfs/dbraw/zinc/79/60/87/973796087.db2.gz NQCSMBDQDRPCRN-UHFFFAOYSA-N -2 0 360.351 0.785 20 0 FCADRL CC(C)OC[C@H](NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)C(=O)[O-] ZINC001591730670 975697601 /nfs/dbraw/zinc/69/76/01/975697601.db2.gz FXSHCVUZZQXZQB-JTQLQIEISA-N -2 0 367.326 0.820 20 0 FCADRL C[C@H](C[C@@H]1CCCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC001592463890 978192349 /nfs/dbraw/zinc/19/23/49/978192349.db2.gz JBQOPAUODFCFFV-YPMHNXCESA-N -2 0 362.448 0.993 20 0 FCADRL C[C@H](CN(C)C(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)c1nnn[n-]1 ZINC001592574039 978468414 /nfs/dbraw/zinc/46/84/14/978468414.db2.gz BSVHISRAGXWSEK-BDAKNGLRSA-N -2 0 356.383 0.130 20 0 FCADRL C[C@@](CO)(CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)CC(=O)[O-] ZINC001592728207 979235330 /nfs/dbraw/zinc/23/53/30/979235330.db2.gz CRHWHEUDXUSTLC-ZDUSSCGKSA-N -2 0 367.326 0.415 20 0 FCADRL CCC(CC)(C(=O)[O-])C(=O)COC(=O)c1ccc(S(=O)(=O)NC)o1 ZINC001595043844 979245758 /nfs/dbraw/zinc/24/57/58/979245758.db2.gz OIMSZWAEQMMOHG-UHFFFAOYSA-N -2 0 361.372 0.805 20 0 FCADRL C[C@H](CS(=O)(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1ccccn1)C(=O)[O-] ZINC001592789550 979433616 /nfs/dbraw/zinc/43/36/16/979433616.db2.gz KDJFRYRAOFWIPU-DVVUODLYSA-N -2 0 360.413 0.633 20 0 FCADRL C[C@@H](CS(=O)(=O)N[C@@H](Cc1ccc2c(c1)OCO2)C(=O)[O-])C(=O)[O-] ZINC001592806504 979469575 /nfs/dbraw/zinc/46/95/75/979469575.db2.gz HYAXCVVBTATTLF-WPRPVWTQSA-N -2 0 359.356 0.051 20 0 FCADRL CC[C@H](CS(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1C(=O)[O-])OC ZINC001595203954 979970148 /nfs/dbraw/zinc/97/01/48/979970148.db2.gz YHPHWLPXXIWPJM-SECBINFHSA-N -2 0 365.429 0.955 20 0 FCADRL C[C@@H](NC(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001592979007 980143728 /nfs/dbraw/zinc/14/37/28/980143728.db2.gz GIRUGLIJEGBHNV-LPTSXCQYSA-N -2 0 368.430 0.855 20 0 FCADRL CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001595506235 981286598 /nfs/dbraw/zinc/28/65/98/981286598.db2.gz SVHZEVCMKWVHBQ-WXLQGSQKSA-N -2 0 364.445 0.165 20 0 FCADRL CCC[C@@H](O)[C@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C(=O)[O-] ZINC001595609375 981620182 /nfs/dbraw/zinc/62/01/82/981620182.db2.gz VFRPBGLXVZUYLP-KCJUWKMLSA-N -2 0 367.326 0.556 20 0 FCADRL CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001594770512 981740230 /nfs/dbraw/zinc/74/02/30/981740230.db2.gz SDVBIXKHQRQRHY-LLVKDONJSA-N -2 0 359.356 0.655 20 0 FCADRL CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001595922491 983040409 /nfs/dbraw/zinc/04/04/09/983040409.db2.gz MDAJOQHMVWLCBX-UHFFFAOYSA-N -2 0 363.417 0.343 20 0 FCADRL CCCc1c(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])[nH]c(C)c1C(=O)OC ZINC001596045913 983337249 /nfs/dbraw/zinc/33/72/49/983337249.db2.gz WKPHKFHYLXDQMA-QMMMGPOBSA-N -2 0 360.388 0.595 20 0 FCADRL CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@](C)(COC)C(=O)[O-] ZINC001596586435 984515712 /nfs/dbraw/zinc/51/57/12/984515712.db2.gz BXJXDKCNXNBFGQ-OIBJUYFYSA-N -2 0 365.326 0.280 20 0 FCADRL CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])n1 ZINC001596637958 984629962 /nfs/dbraw/zinc/62/99/62/984629962.db2.gz SNUDBBWEZOZQJI-UHFFFAOYSA-N -2 0 368.371 0.649 20 0 FCADRL CC(=O)N(C)c1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc1 ZINC001589045745 985114174 /nfs/dbraw/zinc/11/41/74/985114174.db2.gz ACZAOUNKPQFKMN-UHFFFAOYSA-N -2 0 356.400 0.840 20 0 FCADRL CC(=O)N1C[C@@H]2CCC[C@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])no3)[C@H]2C1 ZINC001589058636 985177771 /nfs/dbraw/zinc/17/77/71/985177771.db2.gz YHJRGWAMDUNQGI-DCAQKATOSA-N -2 0 357.388 0.298 20 0 FCADRL CC(=O)N[C@H](CCC(C)C)C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-] ZINC001589115650 985366891 /nfs/dbraw/zinc/36/68/91/985366891.db2.gz OEUWMQWCVQNDEL-HOSYDEDBSA-N -2 0 350.437 0.483 20 0 FCADRL CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001589137728 985442318 /nfs/dbraw/zinc/44/23/18/985442318.db2.gz PZCFUYDJSKKHEX-SSDOTTSWSA-N -2 0 364.401 0.046 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001599940990 985453947 /nfs/dbraw/zinc/45/39/47/985453947.db2.gz BSCPOTJLCFZHLU-BXKDBHETSA-N -2 0 357.370 0.669 20 0 FCADRL CC(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])cc1F ZINC001589186368 985572976 /nfs/dbraw/zinc/57/29/76/985572976.db2.gz OOZSTWGHZQXGFC-HTQZYQBOSA-N -2 0 360.363 0.953 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2scnc2C(=O)[O-])[C@H](C(=O)[O-])[C@H](C)O1 ZINC001594562491 986334680 /nfs/dbraw/zinc/33/46/80/986334680.db2.gz UEODVXCMEXBZQT-CHKWXVPMSA-N -2 0 350.374 0.092 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C ZINC001589450125 986836493 /nfs/dbraw/zinc/83/64/93/986836493.db2.gz ATRYCFOIPAFDKQ-JLIMGVALSA-N -2 0 364.420 0.455 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1COc2ccc(F)cc2C1 ZINC001589450242 986838224 /nfs/dbraw/zinc/83/82/24/986838224.db2.gz BZOKESNWGXXFSX-QXEWZRGKSA-N -2 0 359.375 0.932 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1Br ZINC001589452784 986852398 /nfs/dbraw/zinc/85/23/98/986852398.db2.gz APKUSZRBRILAQZ-WDSKDSINSA-N -2 0 368.209 0.351 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)Cn1ccc2ccccc2c1=O ZINC001589453165 986857627 /nfs/dbraw/zinc/85/76/27/986857627.db2.gz OMYXOAHUASMERB-GHMZBOCLSA-N -2 0 366.395 0.557 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1C(F)(F)F ZINC001589453106 986858145 /nfs/dbraw/zinc/85/81/45/986858145.db2.gz DIPRUJDXBSBBRQ-RITPCOANSA-N -2 0 357.310 0.608 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnc2)cc1 ZINC001589453471 986861151 /nfs/dbraw/zinc/86/11/51/986861151.db2.gz PKAXOLTWLJODPA-UWVGGRQHSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)C1CCCCC1 ZINC001589454216 986875159 /nfs/dbraw/zinc/87/51/59/986875159.db2.gz USMROKBHDIOXIZ-WDEREUQCSA-N -2 0 362.448 0.628 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1c(C(F)(F)F)cnn1C ZINC001589454428 986879023 /nfs/dbraw/zinc/87/90/23/986879023.db2.gz VUYLPZVXRXSTAV-WDSKDSINSA-N -2 0 357.310 0.608 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1nn(C)c(=O)c2ccccc21 ZINC001589455297 986894140 /nfs/dbraw/zinc/89/41/40/986894140.db2.gz XPSXAHGPGMQEPS-BDAKNGLRSA-N -2 0 367.383 0.102 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001589455328 986895597 /nfs/dbraw/zinc/89/55/97/986895597.db2.gz YEGDQSLJKQZELA-YUMQZZPRSA-N -2 0 356.356 0.186 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC001589490736 987056046 /nfs/dbraw/zinc/05/60/46/987056046.db2.gz FDMSZOGCZWXHPH-SSDOTTSWSA-N -2 0 373.387 0.833 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc(-c2cnn(C)c2)ccc1F ZINC001589491296 987058675 /nfs/dbraw/zinc/05/86/75/987058675.db2.gz KCHYLUZUJFWWJB-QMMMGPOBSA-N -2 0 355.347 0.759 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCNC(=O)OCc1ccccc1 ZINC001589493050 987067582 /nfs/dbraw/zinc/06/75/82/987067582.db2.gz BTQPWVMOLBVAIL-NSHDSACASA-N -2 0 372.399 0.612 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1(CNC(=O)OC(C)(C)C)CC1 ZINC001589495259 987074560 /nfs/dbraw/zinc/07/45/60/987074560.db2.gz OEXFVJPUSJUXGL-QMMMGPOBSA-N -2 0 350.393 0.210 20 0 FCADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)n1 ZINC001589671309 987669072 /nfs/dbraw/zinc/66/90/72/987669072.db2.gz YYONLBJHKYSRJV-UHFFFAOYSA-N -2 0 374.353 0.656 20 0 FCADRL CCc1c[nH]c(=O)c(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001597420184 987732273 /nfs/dbraw/zinc/73/22/73/987732273.db2.gz XVFUHLHEPMZJMD-UHFFFAOYSA-N -2 0 357.388 0.121 20 0 FCADRL CC(C)(C)C(=O)NCC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001589690882 987756130 /nfs/dbraw/zinc/75/61/30/987756130.db2.gz IAKFGYZRRJSWLE-UHFFFAOYSA-N -2 0 356.400 0.493 20 0 FCADRL CC(C)(C)C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])s1)C(=O)[O-] ZINC001589757427 988075649 /nfs/dbraw/zinc/07/56/49/988075649.db2.gz XMIRBRAZEZGVAO-XCBNKYQSSA-N -2 0 365.429 0.975 20 0 FCADRL CCc1nc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])nn1-c1ccccc1 ZINC001597650505 988678781 /nfs/dbraw/zinc/67/87/81/988678781.db2.gz GLHPUUWGUNJROE-VIFPVBQESA-N -2 0 352.372 0.362 20 0 FCADRL CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[N-]OCCCC(=O)[O-] ZINC001590018295 989000663 /nfs/dbraw/zinc/00/06/63/989000663.db2.gz KHATYXISGUQXQF-LLVKDONJSA-N -2 0 373.406 0.415 20 0 FCADRL CCn1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c(C(N)=O)n1 ZINC001597896320 989761095 /nfs/dbraw/zinc/76/10/95/989761095.db2.gz DWNJJMBXDJHKJV-UHFFFAOYSA-N -2 0 356.335 0.640 20 0 FCADRL CC(C)(C)O[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001590398815 989932121 /nfs/dbraw/zinc/93/21/21/989932121.db2.gz PHNZCYDURAYSEQ-KCJUWKMLSA-N -2 0 360.388 0.744 20 0 FCADRL CC(C)(CCNC(=O)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC001590670931 990376953 /nfs/dbraw/zinc/37/69/53/990376953.db2.gz KGCGJMAEZWZBIT-CYBMUJFWSA-N -2 0 362.382 0.814 20 0 FCADRL CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001590702366 990425034 /nfs/dbraw/zinc/42/50/34/990425034.db2.gz ANOJLQFJUCOLDO-YNAXMUEKSA-N -2 0 368.430 0.369 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1cc2cc[nH]c(=O)c2s1)C(=O)[O-] ZINC001590798701 990623152 /nfs/dbraw/zinc/62/31/52/990623152.db2.gz AOKJNTSPUHQKPE-UHFFFAOYSA-N -2 0 358.397 0.760 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)CNC(=O)CC1CCCCC1)C(=O)[O-] ZINC001590799120 990626721 /nfs/dbraw/zinc/62/67/21/990626721.db2.gz LDWAVWKZMJTEBK-UHFFFAOYSA-N -2 0 362.448 0.630 20 0 FCADRL CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)nc1 ZINC001598156812 990646058 /nfs/dbraw/zinc/64/60/58/990646058.db2.gz XCCBKAMVPASLHU-UHFFFAOYSA-N -2 0 350.356 0.677 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CC[C@@H](OC)C[C@H]2C(=O)[O-])c1 ZINC001599683743 990952659 /nfs/dbraw/zinc/95/26/59/990952659.db2.gz XXZVJTFWLKYBNR-OZZYPVQVSA-N -2 0 355.412 0.893 20 0 FCADRL COc1cccc([C@@H]2CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])[C@H]2C(=O)[O-])c1 ZINC001599684193 990959933 /nfs/dbraw/zinc/95/99/33/990959933.db2.gz QAFFUNUJMVTCRJ-DDTOSNHZSA-N -2 0 371.411 0.988 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC001598277337 991160493 /nfs/dbraw/zinc/16/04/93/991160493.db2.gz WROJFMQVHJAWHC-INIZCTEOSA-N -2 0 370.427 0.969 20 0 FCADRL COc1ccccc1[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(=O)[O-] ZINC001599700502 991210877 /nfs/dbraw/zinc/21/08/77/991210877.db2.gz SLDJSOPLYPZSNP-ZDUSSCGKSA-N -2 0 369.355 0.081 20 0 FCADRL COc1ccccc1CC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001599703848 991262720 /nfs/dbraw/zinc/26/27/20/991262720.db2.gz HUBDOXVJJRHJMS-UHFFFAOYSA-N -2 0 356.381 0.898 20 0 FCADRL CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001591012894 991278685 /nfs/dbraw/zinc/27/86/85/991278685.db2.gz CDWQOGYYPSCLHA-CYBMUJFWSA-N -2 0 371.415 0.041 20 0 FCADRL CN(C)c1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c(C(N)=O)c1 ZINC001598328895 991357651 /nfs/dbraw/zinc/35/76/51/991357651.db2.gz FTNALIZKZMXWFV-UHFFFAOYSA-N -2 0 370.412 0.807 20 0 FCADRL COc1cn(-c2ccccc2)nc1C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001599723797 991583682 /nfs/dbraw/zinc/58/36/82/991583682.db2.gz SDKKYNFARIFBTB-UHFFFAOYSA-N -2 0 353.356 0.415 20 0 FCADRL COc1nc(C(=O)OCC(=O)N(C)c2ccccc2C(=O)[O-])cc(=O)[n-]1 ZINC001599731575 991716776 /nfs/dbraw/zinc/71/67/76/991716776.db2.gz FADKTRKXLQAHIU-UHFFFAOYSA-N -2 0 361.310 0.709 20 0 FCADRL COc1ncc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1Br ZINC001599733218 991737136 /nfs/dbraw/zinc/73/71/36/991737136.db2.gz RJEDPNVYMNOSDK-YFKPBYRVSA-N -2 0 367.177 0.385 20 0 FCADRL COc1ncc(/C=C/C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC001599735807 991772908 /nfs/dbraw/zinc/77/29/08/991772908.db2.gz KNPQQBASSFPFTC-AATRIKPKSA-N -2 0 363.351 0.702 20 0 FCADRL CN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@H](COC1CCC1)C(=O)[O-] ZINC001598448696 991897086 /nfs/dbraw/zinc/89/70/86/991897086.db2.gz UEYSYSWQBZLNAR-CYBMUJFWSA-N -2 0 367.427 0.963 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)NC2(CC(=O)[O-])CCOCC2)cn1 ZINC001599759797 992105261 /nfs/dbraw/zinc/10/52/61/992105261.db2.gz AGSBERCZALNSBG-UHFFFAOYSA-N -2 0 357.388 0.207 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001599761185 992124654 /nfs/dbraw/zinc/12/46/54/992124654.db2.gz QGGFNBXAFFZPSY-PRHODGIISA-N -2 0 360.363 0.417 20 0 FCADRL CS(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(=O)[O-])cc1 ZINC001599770916 992243109 /nfs/dbraw/zinc/24/31/09/992243109.db2.gz MBQWYMAZAINNRK-BXKDBHETSA-N -2 0 370.383 0.872 20 0 FCADRL C[S@@](=O)c1cccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001599780721 992360728 /nfs/dbraw/zinc/36/07/28/992360728.db2.gz UPFZFFXEOWGXTF-HSZRJFAPSA-N -2 0 374.440 0.195 20 0 FCADRL CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001591462673 992574785 /nfs/dbraw/zinc/57/47/85/992574785.db2.gz LYESJPKLFPUBFW-UWVGGRQHSA-N -2 0 366.436 0.845 20 0 FCADRL CN1C(=O)C[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c2ccccc21 ZINC001598548458 992974077 /nfs/dbraw/zinc/97/40/77/992974077.db2.gz AFSQQTYQAUGHIL-NSHDSACASA-N -2 0 368.411 0.694 20 0 FCADRL CN1C(=O)C[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c2ccccc21 ZINC001598548457 992974392 /nfs/dbraw/zinc/97/43/92/992974392.db2.gz AFSQQTYQAUGHIL-LLVKDONJSA-N -2 0 368.411 0.694 20 0 FCADRL C[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)c1nn(C)cc1[O-] ZINC001593139355 993915788 /nfs/dbraw/zinc/91/57/88/993915788.db2.gz XIRIYAYMKACNKR-IUCAKERBSA-N -2 0 356.379 0.671 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)[O-])cc1C(=O)[O-] ZINC001599612632 993975078 /nfs/dbraw/zinc/97/50/78/993975078.db2.gz IVKQVNKNCHTSJM-JOYOIKCWSA-N -2 0 373.383 0.552 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)c(OC)c1C(=O)[O-] ZINC001599613441 993985157 /nfs/dbraw/zinc/98/51/57/993985157.db2.gz ZPJUXXOCJXOZHV-IUCAKERBSA-N -2 0 371.367 0.710 20 0 FCADRL COc1cccc(C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)C(=O)[O-])c1 ZINC001599671803 994825314 /nfs/dbraw/zinc/82/53/14/994825314.db2.gz PKXKTXMJJTXBFJ-NSHDSACASA-N -2 0 369.351 0.961 20 0 FCADRL CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001598676697 994857146 /nfs/dbraw/zinc/85/71/46/994857146.db2.gz IJILPZNPRPYNPG-UHFFFAOYSA-N -2 0 360.369 0.687 20 0 FCADRL COC(=O)[C@@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001598697164 995159250 /nfs/dbraw/zinc/15/92/50/995159250.db2.gz NAFFTFZKDPFWOU-WCBMZHEXSA-N -2 0 362.360 0.009 20 0 FCADRL C[C@H](O[C@@H](C)C(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)C(=O)[O-] ZINC001593602894 995766257 /nfs/dbraw/zinc/76/62/57/995766257.db2.gz MQQMTTGMXREDNB-NRPADANISA-N -2 0 370.383 0.546 20 0 FCADRL COC(=O)[C@@H]1CN(C(=O)c2ncc(Br)cc2[O-])C[C@@H]1C(=O)[O-] ZINC001598819319 996306346 /nfs/dbraw/zinc/30/63/46/996306346.db2.gz BKTPDUIDFMBSMD-JGVFFNPUSA-N -2 0 373.159 0.496 20 0 FCADRL COC(=O)[C@@H]1CN(C(=O)c2nn(-c3ccccc3)cc2[O-])C[C@@H]1C(=O)[O-] ZINC001598819404 996307404 /nfs/dbraw/zinc/30/74/04/996307404.db2.gz OKHNRVIWLWCPEE-NWDGAFQWSA-N -2 0 359.338 0.524 20 0 FCADRL COC(=O)CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)[O-] ZINC001598858418 996656472 /nfs/dbraw/zinc/65/64/72/996656472.db2.gz MXDFYXGXRPOBNL-ZETCQYMHSA-N -2 0 351.358 0.131 20 0 FCADRL COC[C@H](NC(=O)c1cccc(I)c1[O-])C(=O)[O-] ZINC001599173966 996805207 /nfs/dbraw/zinc/80/52/07/996805207.db2.gz GJCGPYTVYSSADY-QMMMGPOBSA-N -2 0 365.123 0.826 20 0 FCADRL COc1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c(OC)c1 ZINC001599485311 996838457 /nfs/dbraw/zinc/83/84/57/996838457.db2.gz NEWLJSMDVILGJL-UHFFFAOYSA-N -2 0 372.399 0.475 20 0 FCADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])c1 ZINC001599281733 996902901 /nfs/dbraw/zinc/90/29/01/996902901.db2.gz KMLFFNYHNSXXRZ-RNCFNFMXSA-N -2 0 373.383 0.394 20 0 FCADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H]2CC=C(C(=O)[O-])C2)c1 ZINC001599282133 996908096 /nfs/dbraw/zinc/90/80/96/996908096.db2.gz RNNANOHIWMLAKH-LBPRGKRZSA-N -2 0 355.368 0.983 20 0 FCADRL COC1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)CC1 ZINC001599079644 996968257 /nfs/dbraw/zinc/96/82/57/996968257.db2.gz UBQRSBKFVGHLKT-UHFFFAOYSA-N -2 0 361.347 0.778 20 0 FCADRL CC1(C)CN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])[C@@H](C(=O)[O-])CO1 ZINC001593946710 996998401 /nfs/dbraw/zinc/99/84/01/996998401.db2.gz JHKPZFYSFPMTPW-SECBINFHSA-N -2 0 361.347 0.777 20 0 FCADRL COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001598893721 997039866 /nfs/dbraw/zinc/03/98/66/997039866.db2.gz TUWWAFSPZGKRHB-SNVBAGLBSA-N -2 0 365.317 0.853 20 0 FCADRL COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC001599196410 997224796 /nfs/dbraw/zinc/22/47/96/997224796.db2.gz YHVNXHZTLPPIOU-OAHLLOKOSA-N -2 0 357.384 0.638 20 0 FCADRL CC1(C)[C@@]2(C)CC[C@]1(C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)OC2=O ZINC001593988731 997245535 /nfs/dbraw/zinc/24/55/35/997245535.db2.gz QWYRUKZLBHOMEP-LSDHHAIUSA-N -2 0 371.367 0.905 20 0 FCADRL COc1cc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)ccc1C(=O)[O-] ZINC001599409976 997403405 /nfs/dbraw/zinc/40/34/05/997403405.db2.gz IQDJPFQFWCUKDG-UHFFFAOYSA-N -2 0 357.326 0.094 20 0 FCADRL COc1ccc([C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C(=O)[O-])c(OC)c1 ZINC001599522795 997508958 /nfs/dbraw/zinc/50/89/58/997508958.db2.gz KLVQBQKHOWWTRX-GFCCVEGCSA-N -2 0 363.326 0.059 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cn(C)nc2OC)c1 ZINC001598923463 997613257 /nfs/dbraw/zinc/61/32/57/997613257.db2.gz KTPDAGKAENMIOF-UHFFFAOYSA-N -2 0 369.355 0.714 20 0 FCADRL COc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)ccc1C(=O)[O-] ZINC001599428156 997712267 /nfs/dbraw/zinc/71/22/67/997712267.db2.gz GZBRLMQIGYIRIE-ONGXEEELSA-N -2 0 364.354 0.901 20 0 FCADRL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001594051693 997746136 /nfs/dbraw/zinc/74/61/36/997746136.db2.gz JWUSRWZZVAIYND-VDDIYKPWSA-N -2 0 372.365 0.712 20 0 FCADRL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC001594052231 997754826 /nfs/dbraw/zinc/75/48/26/997754826.db2.gz NMFKVEHAEJEZQY-LLVKDONJSA-N -2 0 372.365 0.714 20 0 FCADRL COCCCOCCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001599226264 997764877 /nfs/dbraw/zinc/76/48/77/997764877.db2.gz KSRLHYPIRFRYPF-UHFFFAOYSA-N -2 0 351.402 0.694 20 0 FCADRL COCCN(CCC(=O)[O-])C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001599236060 997948233 /nfs/dbraw/zinc/94/82/33/997948233.db2.gz NXHVFPCXJOJGSK-UHFFFAOYSA-N -2 0 363.374 0.136 20 0 FCADRL COc1ccc(CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c(Cl)c1OC ZINC001599548436 997964364 /nfs/dbraw/zinc/96/43/64/997964364.db2.gz CDSZOBBPTNSHCV-SSDOTTSWSA-N -2 0 365.791 0.819 20 0 FCADRL COc1ccc(CC(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1OC(F)F ZINC001599548929 997970927 /nfs/dbraw/zinc/97/09/27/997970927.db2.gz QZKJCOYCOABEEV-UHFFFAOYSA-N -2 0 353.299 0.370 20 0 FCADRL CO[C@H]1CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)[C@@](C)(C(=O)[O-])C1 ZINC001599132773 997981062 /nfs/dbraw/zinc/98/10/62/997981062.db2.gz ZUNOHRKRTSSFOD-VPTHRUTESA-N -2 0 362.342 0.449 20 0 FCADRL COc1ccc(C[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1OC ZINC001599550092 997991069 /nfs/dbraw/zinc/99/10/69/997991069.db2.gz KQBVCJPIQSBNJF-NXEZZACHSA-N -2 0 359.400 0.802 20 0 FCADRL COC(=O)c1cc(NC(=O)c2c[n-]n3c2nccc3=O)cc(C(=O)[O-])c1 ZINC001598947551 998084675 /nfs/dbraw/zinc/08/46/75/998084675.db2.gz NXEYRVRIJAFCPN-UHFFFAOYSA-N -2 0 356.294 0.760 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)c(C(=O)[O-])s1 ZINC001598950632 998144602 /nfs/dbraw/zinc/14/46/02/998144602.db2.gz CBWVWJJPONJQRC-QMMMGPOBSA-N -2 0 365.385 0.620 20 0 FCADRL COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001599143904 998179701 /nfs/dbraw/zinc/17/97/01/998179701.db2.gz KDSSUUUISORHFD-SNVBAGLBSA-N -2 0 351.764 0.758 20 0 FCADRL COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC001599144076 998181739 /nfs/dbraw/zinc/18/17/39/998181739.db2.gz SUVLNQZEFFOYAX-LBPRGKRZSA-N -2 0 361.372 0.260 20 0 FCADRL COc1cc(S(=O)(=O)N2C[C@@H]3C[C@@]2(C(=O)[O-])[C@@H]3C)ccc1C(=O)[O-] ZINC001599457726 998216713 /nfs/dbraw/zinc/21/67/13/998216713.db2.gz NTTJBQRAZQSUGL-OLBFVZFUSA-N -2 0 355.368 0.877 20 0 FCADRL COc1cc(C(=O)[O-])ccc1CCNC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001599363677 998301420 /nfs/dbraw/zinc/30/14/20/998301420.db2.gz IKTDMBCOMNBGCI-CYBMUJFWSA-N -2 0 352.343 0.431 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC001598962225 998353761 /nfs/dbraw/zinc/35/37/61/998353761.db2.gz DZMFCFLMFQXXLF-AOOOYVTPSA-N -2 0 371.367 0.655 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NC2([C@@H](C)C(=O)[O-])CC2)c1 ZINC001598963265 998371532 /nfs/dbraw/zinc/37/15/32/998371532.db2.gz ITHLCGHQMPHSOG-QMMMGPOBSA-N -2 0 371.367 0.703 20 0 FCADRL COCCOc1cccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001599260571 998378280 /nfs/dbraw/zinc/37/82/80/998378280.db2.gz HEOACHYIVQWFDQ-MNOVXSKESA-N -2 0 359.400 0.881 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CC[C@@H](CC(=O)[O-])C2)c1 ZINC001598963877 998381882 /nfs/dbraw/zinc/38/18/82/998381882.db2.gz PBQVJGVCXBEFFP-VIFPVBQESA-N -2 0 371.367 0.657 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)NC1([C@H](C)C(=O)[O-])CC1 ZINC001598970198 998502149 /nfs/dbraw/zinc/50/21/49/998502149.db2.gz GGEDLMDMOKISJV-MRVPVSSYSA-N -2 0 371.367 0.703 20 0 FCADRL COC(=O)c1cccc(CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1 ZINC001598992778 998752374 /nfs/dbraw/zinc/75/23/74/998752374.db2.gz HGUXSYNEGKUGNA-UHFFFAOYSA-N -2 0 357.384 0.573 20 0 FCADRL COC(=O)c1sc(S(=O)(=O)[N-]C(=O)[C@@H](C)OC)c(C(=O)[O-])c1C ZINC001599022833 998994059 /nfs/dbraw/zinc/99/40/59/998994059.db2.gz WKUMQYXMGPXQBP-ZCFIWIBFSA-N -2 0 365.385 0.381 20 0 FCADRL COC(=O)c1sc(S(=O)(=O)N(C)CCC(=O)[O-])c(C(=O)[O-])c1C ZINC001599023007 998995773 /nfs/dbraw/zinc/99/57/73/998995773.db2.gz OAYNWBURHJYEHJ-UHFFFAOYSA-N -2 0 365.385 0.637 20 0 FCADRL CO[C@@H](C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1C)C(=O)[O-])C1CC1 ZINC001599042348 999126956 /nfs/dbraw/zinc/12/69/56/999126956.db2.gz BJNDZSYXDYSMQD-ZJUUUORDSA-N -2 0 361.372 0.833 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(N2CCC(C)CC2)nc1 ZINC001594434162 999612472 /nfs/dbraw/zinc/61/24/72/999612472.db2.gz CZEGZQBUHJMRBL-LLVKDONJSA-N -2 0 355.416 0.851 20 0 FCADRL C[C@H]1CN(C(=O)C(=O)NCc2ccc(C(=O)[O-])s2)CC[C@@H]1C(=O)[O-] ZINC001594457737 999662890 /nfs/dbraw/zinc/66/28/90/999662890.db2.gz JHSPVQVARJBHNE-WPRPVWTQSA-N -2 0 354.384 0.632 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262742001 209650225 /nfs/dbraw/zinc/65/02/25/209650225.db2.gz GXPSCHITJNEDJV-SNVBAGLBSA-N -2 0 360.363 0.513 20 0 FCADRL O=C([N-]OCc1cccnc1)[C@@H]1CC[C@@H](C(=O)[N-]OCc2cccnc2)O1 ZINC000275295328 212001136 /nfs/dbraw/zinc/00/11/36/212001136.db2.gz HDJQAYHWHXHHQI-HOTGVXAUSA-N -2 0 372.381 0.820 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)Cc1cccc2cccnc21)C(=O)[O-] ZINC000275100829 211961963 /nfs/dbraw/zinc/96/19/63/211961963.db2.gz QJPCFNMUXRHDQI-LBPRGKRZSA-N -2 0 352.368 0.972 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1C ZINC000275084714 211960261 /nfs/dbraw/zinc/96/02/61/211960261.db2.gz NTZQNUCMUABHBD-JTQLQIEISA-N -2 0 359.356 0.378 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)o1 ZINC000275073393 211958003 /nfs/dbraw/zinc/95/80/03/211958003.db2.gz HITYDFHZGWZXTH-CYBMUJFWSA-N -2 0 361.328 0.006 20 0 FCADRL COc1cccc(OC)c1S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000274998906 211945979 /nfs/dbraw/zinc/94/59/79/211945979.db2.gz FWTPHWBZSSCDHV-HNNXBMFYSA-N -2 0 373.383 0.644 20 0 FCADRL O=C(c1cnc2[nH]c(=O)nc([O-])c2c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425286133 247315472 /nfs/dbraw/zinc/31/54/72/247315472.db2.gz AGQBFCSLVJTCDX-ZETCQYMHSA-N -2 0 358.314 0.544 20 0 FCADRL COC(=O)c1csc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])c1 ZINC000278578393 488882453 /nfs/dbraw/zinc/88/24/53/488882453.db2.gz DAYPORFHUGIDBR-MRVPVSSYSA-N -2 0 365.385 0.521 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])s1 ZINC000278708014 488890961 /nfs/dbraw/zinc/89/09/61/488890961.db2.gz NWJYTVGTZUIWAB-SSDOTTSWSA-N -2 0 365.385 0.521 20 0 FCADRL COC(=O)c1cc(C)ccc1S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000278815676 488897702 /nfs/dbraw/zinc/89/77/02/488897702.db2.gz XJXFIGUETHOEHO-LLVKDONJSA-N -2 0 373.383 0.768 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(=O)[O-])cc2)cn1C ZINC000323826631 488903782 /nfs/dbraw/zinc/90/37/82/488903782.db2.gz GMYRKVVHRRMIBV-UHFFFAOYSA-N -2 0 352.372 0.344 20 0 FCADRL NC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000324473846 488906325 /nfs/dbraw/zinc/90/63/25/488906325.db2.gz DYBGYPDOCSCEEM-UHFFFAOYSA-N -2 0 358.763 0.521 20 0 FCADRL NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c1 ZINC000324658003 488906482 /nfs/dbraw/zinc/90/64/82/488906482.db2.gz ZLIVZOUJPHJDME-UHFFFAOYSA-N -2 0 372.380 0.539 20 0 FCADRL Cc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000324866710 488907843 /nfs/dbraw/zinc/90/78/43/488907843.db2.gz OYAACKHXMKBJSD-UHFFFAOYSA-N -2 0 373.412 0.480 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(=O)[O-])cc2)nc1C ZINC000327548196 488920286 /nfs/dbraw/zinc/92/02/86/488920286.db2.gz DGPGQVPXRVZEBR-UHFFFAOYSA-N -2 0 366.399 0.827 20 0 FCADRL NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000054795507 488230067 /nfs/dbraw/zinc/23/00/67/488230067.db2.gz WYKULPHSFAUZCD-UHFFFAOYSA-N -3 0 364.335 0.983 20 0 FCADRL COc1ccc(C=CC(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)NC(C)C ZINC000062930909 488301991 /nfs/dbraw/zinc/30/19/91/488301991.db2.gz GCLLAIYRTATNRW-FNORWQNLSA-N -2 0 357.388 0.694 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)NC1CCCC1 ZINC000065833118 488321710 /nfs/dbraw/zinc/32/17/10/488321710.db2.gz RDRZVVGNDAUFCL-UHFFFAOYSA-N -2 0 357.388 0.829 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC000230019817 488452261 /nfs/dbraw/zinc/45/22/61/488452261.db2.gz YPYYNWVYLLFBIW-MRVPVSSYSA-N -2 0 370.152 0.794 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cccc(Br)c1 ZINC000104330082 488504951 /nfs/dbraw/zinc/50/49/51/488504951.db2.gz UGRYCJDSPOANJL-UHFFFAOYSA-N -2 0 352.162 0.609 20 0 FCADRL O=C(Nc1n[nH]c(-c2ccccn2)n1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000108152661 488518361 /nfs/dbraw/zinc/51/83/61/488518361.db2.gz NJVQZDJZUAQQQE-UHFFFAOYSA-N -2 0 350.298 0.044 20 0 FCADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCCO2 ZINC000554531175 491208124 /nfs/dbraw/zinc/20/81/24/491208124.db2.gz YLXKZJUKQVNION-UHFFFAOYSA-N -2 0 353.356 0.999 20 0 FCADRL CCC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC000262212942 488557344 /nfs/dbraw/zinc/55/73/44/488557344.db2.gz YIIQKQZQWZSNDO-CYBMUJFWSA-N -2 0 371.415 1.000 20 0 FCADRL CC(=O)NCCN(C(=O)c1nn(-c2ccccc2)cc1[O-])[C@@H](C)C(=O)[O-] ZINC000262272084 488560382 /nfs/dbraw/zinc/56/03/82/488560382.db2.gz UWVWDWNDPCKXJY-NSHDSACASA-N -2 0 360.370 0.629 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-] ZINC000262470917 488572072 /nfs/dbraw/zinc/57/20/72/488572072.db2.gz OTNMJEPSZSDPKO-QMMMGPOBSA-N -2 0 350.418 0.955 20 0 FCADRL CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)NCCC(=O)[O-] ZINC000262494350 488573303 /nfs/dbraw/zinc/57/33/03/488573303.db2.gz XWSNNGQJTYKTJD-UHFFFAOYSA-N -2 0 366.417 0.210 20 0 FCADRL COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000263158173 488605748 /nfs/dbraw/zinc/60/57/48/488605748.db2.gz JMQCMGSYMURNFV-QGZVFWFLSA-N -2 0 361.354 0.614 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(=O)[O-] ZINC000264538923 488683865 /nfs/dbraw/zinc/68/38/65/488683865.db2.gz ZVYQUIUCGHMZME-NSHDSACASA-N -2 0 356.356 0.020 20 0 FCADRL CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc2C[C@H]1C ZINC000274937972 488745826 /nfs/dbraw/zinc/74/58/26/488745826.db2.gz QJIXHCFYGKQGJL-PELKAZGASA-N -2 0 370.383 0.190 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)Cc2noc3ccccc32)CC[C@@H]1C(=O)[O-] ZINC000274975674 488749676 /nfs/dbraw/zinc/74/96/76/488749676.db2.gz CUINZUJTNDJWKT-ONGXEEELSA-N -2 0 368.367 0.765 20 0 FCADRL CCCOC(=O)c1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1 ZINC000274989426 488751065 /nfs/dbraw/zinc/75/10/65/488751065.db2.gz MKUCYFWIGSSOSV-UHFFFAOYSA-N -2 0 359.356 0.413 20 0 FCADRL C[C@@H]1Cc2cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc(Cl)c2O1 ZINC000275024730 488754141 /nfs/dbraw/zinc/75/41/41/488754141.db2.gz SHCSHAKUTWKCBA-SSDOTTSWSA-N -2 0 363.775 0.823 20 0 FCADRL CC(C)(CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)CC(=O)[O-] ZINC000275031669 488755056 /nfs/dbraw/zinc/75/50/56/488755056.db2.gz QBGDAURSFDFLLA-UHFFFAOYSA-N -2 0 356.360 0.215 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000275041237 488755856 /nfs/dbraw/zinc/75/58/56/488755856.db2.gz VPGOZIWWDKFTJW-YFKPBYRVSA-N -2 0 372.218 0.964 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)c(OC)c1 ZINC000275070028 488758718 /nfs/dbraw/zinc/75/87/18/488758718.db2.gz GUTFNQSJWFLPGL-HNNXBMFYSA-N -2 0 373.383 0.644 20 0 FCADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c1 ZINC000275087364 488760445 /nfs/dbraw/zinc/76/04/45/488760445.db2.gz OGOZRRJNXXNCAR-SNVBAGLBSA-N -2 0 362.791 0.540 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000275102515 488762025 /nfs/dbraw/zinc/76/20/25/488762025.db2.gz LSUFFSDSXRNGER-AWEZNQCLSA-N -2 0 370.339 0.061 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)C1 ZINC000275119029 488763211 /nfs/dbraw/zinc/76/32/11/488763211.db2.gz NWAIIJBTHIJBMM-OAHLLOKOSA-N -2 0 368.367 0.121 20 0 FCADRL CC[C@@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000275132582 488764670 /nfs/dbraw/zinc/76/46/70/488764670.db2.gz PJAMUBXPIQFCJD-GMSGAONNSA-N -2 0 370.387 0.556 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCO3)CC[C@@H]1C(=O)[O-] ZINC000275162377 488767481 /nfs/dbraw/zinc/76/74/81/488767481.db2.gz UFRNGUGLPHKIJL-UWVGGRQHSA-N -2 0 357.340 0.211 20 0 FCADRL C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000364803064 489003444 /nfs/dbraw/zinc/00/34/44/489003444.db2.gz BFEONIAUXFPSTP-CYBMUJFWSA-N -2 0 354.344 0.064 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccc3c2OCC3)C[C@H]1C(=O)[O-] ZINC000570506494 491245422 /nfs/dbraw/zinc/24/54/22/491245422.db2.gz QZMJZLDKHFHGER-GHMZBOCLSA-N -2 0 355.368 0.418 20 0 FCADRL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000428045957 489634802 /nfs/dbraw/zinc/63/48/02/489634802.db2.gz SIHVAKZOPIVVRK-GFCCVEGCSA-N -2 0 354.322 0.862 20 0 FCADRL Cc1[nH]n(C)c2nnc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)c1-2 ZINC000469521777 489710246 /nfs/dbraw/zinc/71/02/46/489710246.db2.gz IFUREQZECRTHJW-UHFFFAOYSA-N -2 0 354.330 0.915 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000489693692 489724601 /nfs/dbraw/zinc/72/46/01/489724601.db2.gz FGGSCILFKSLXLN-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL CCn1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C(N)=O)n1 ZINC000430988976 489784194 /nfs/dbraw/zinc/78/41/94/489784194.db2.gz QSDAUSBFVYTVRN-UHFFFAOYSA-N -2 0 352.372 0.809 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cn1 ZINC000475796880 489849546 /nfs/dbraw/zinc/84/95/46/489849546.db2.gz YLSXAKOCJIJWNU-UHFFFAOYSA-N -2 0 372.380 0.690 20 0 FCADRL COC(=O)Cn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1C ZINC000475829327 489853199 /nfs/dbraw/zinc/85/31/99/489853199.db2.gz HINBTLFVGDSAMK-UHFFFAOYSA-N -2 0 359.385 0.925 20 0 FCADRL Cn1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)n1 ZINC000476398601 489884213 /nfs/dbraw/zinc/88/42/13/489884213.db2.gz OYCFEKZAWKTMIQ-UHFFFAOYSA-N -2 0 359.385 0.323 20 0 FCADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CC(N)=O)n1 ZINC000476420157 489887001 /nfs/dbraw/zinc/88/70/01/489887001.db2.gz BVCLNLIWROHHOL-UHFFFAOYSA-N -2 0 372.790 0.829 20 0 FCADRL Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1ccc(-n2nn[n-]c2=O)cc1 ZINC000477539917 489971317 /nfs/dbraw/zinc/97/13/17/489971317.db2.gz XUGDNKOEAVGLII-UHFFFAOYSA-N -2 0 367.778 0.799 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(S(C)(=O)=O)nc1 ZINC000390396903 490138061 /nfs/dbraw/zinc/13/80/61/490138061.db2.gz AFFXPCSHIUBIQJ-UHFFFAOYSA-N -2 0 360.369 0.886 20 0 FCADRL Cc1[nH]nc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1C(N)=O ZINC000545473025 490142499 /nfs/dbraw/zinc/14/24/99/490142499.db2.gz SRCJNTONBBSQSK-UHFFFAOYSA-N -2 0 356.335 0.764 20 0 FCADRL Cn1ncc2c1[n-]cc(C(=O)Nc1ccc(-n3nn[n-]c3=O)cc1)c2=O ZINC000507861044 490272330 /nfs/dbraw/zinc/27/23/30/490272330.db2.gz DVYTUKWCYBFIMN-UHFFFAOYSA-N -2 0 352.314 0.608 20 0 FCADRL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000507875725 490273676 /nfs/dbraw/zinc/27/36/76/490273676.db2.gz OBMWSRPGBHPOPN-UHFFFAOYSA-N -2 0 365.309 0.964 20 0 FCADRL COc1cccc(-c2nc(=NC(=O)c3cc(=O)n4[n-]cnc4n3)s[n-]2)c1 ZINC000547298942 490274132 /nfs/dbraw/zinc/27/41/32/490274132.db2.gz YMZUOLBBPHHGCR-UHFFFAOYSA-N -2 0 369.366 0.619 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccc(Br)o1)C(=O)[O-] ZINC000547564608 490319364 /nfs/dbraw/zinc/31/93/64/490319364.db2.gz DEUPEFUVEDMBQE-RXMQYKEDSA-N -2 0 356.150 0.496 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc(Br)o1)C(=O)[O-] ZINC000547564609 490319717 /nfs/dbraw/zinc/31/97/17/490319717.db2.gz DEUPEFUVEDMBQE-YFKPBYRVSA-N -2 0 356.150 0.496 20 0 FCADRL COc1ccc(OC)c(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)c1 ZINC000547593524 490325838 /nfs/dbraw/zinc/32/58/38/490325838.db2.gz WXXUJEFUGGJLSH-OAHLLOKOSA-N -2 0 373.383 0.644 20 0 FCADRL Cn1cnc2cc(S(=O)(=O)N3CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C3)ccc21 ZINC000547602161 490327902 /nfs/dbraw/zinc/32/79/02/490327902.db2.gz POOVQRJLUFGELA-GHMZBOCLSA-N -2 0 367.383 0.369 20 0 FCADRL COCCc1ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC000547934266 490390725 /nfs/dbraw/zinc/39/07/25/490390725.db2.gz KYUHYLRABVEEOP-OAHLLOKOSA-N -2 0 359.400 0.719 20 0 FCADRL Cc1cc(C(=O)Nc2ccc(-n3cncn3)nc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000468607753 490418219 /nfs/dbraw/zinc/41/82/19/490418219.db2.gz CMMFGAFBRQXAQA-UHFFFAOYSA-N -2 0 364.325 0.972 20 0 FCADRL Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1S(N)(=O)=O ZINC000509648134 490447426 /nfs/dbraw/zinc/44/74/26/490447426.db2.gz CDHQXSCOJFZCMH-UHFFFAOYSA-N -2 0 359.385 0.470 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)Cc2c(F)cccc2F)C[C@H]1C(=O)[O-] ZINC000548253661 490450199 /nfs/dbraw/zinc/45/01/99/490450199.db2.gz POPOAVYZZXNPFP-RKDXNWHRSA-N -2 0 363.338 0.902 20 0 FCADRL C[C@](CNS(=O)(=O)c1cccc2nsnc21)(CC(=O)[O-])C(=O)[O-] ZINC000548267558 490453795 /nfs/dbraw/zinc/45/37/95/490453795.db2.gz MBZHVRWFTCAZIQ-GFCCVEGCSA-N -2 0 359.385 0.535 20 0 FCADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)C1 ZINC000422683558 490454004 /nfs/dbraw/zinc/45/40/04/490454004.db2.gz CUCUOEANYTWMOQ-DTWKUNHWSA-N -2 0 354.432 0.765 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccccc1-c1ccno1)C(=O)[O-] ZINC000548551334 490504056 /nfs/dbraw/zinc/50/40/56/490504056.db2.gz ZSUGJFSSPISJLV-SECBINFHSA-N -2 0 354.340 0.795 20 0 FCADRL C[C@@](CNS(=O)(=O)c1cccc2c1OCCO2)(CC(=O)[O-])C(=O)[O-] ZINC000548588972 490513157 /nfs/dbraw/zinc/51/31/57/490513157.db2.gz XYMYXLQEONDGOL-AWEZNQCLSA-N -2 0 359.356 0.302 20 0 FCADRL COC(=O)Cc1ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC000548588652 490513191 /nfs/dbraw/zinc/51/31/91/490513191.db2.gz QAFGNVUDQXVNQO-OAHLLOKOSA-N -2 0 373.383 0.246 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000548593745 490514288 /nfs/dbraw/zinc/51/42/88/490514288.db2.gz LRQNUAIQAOHXAX-CQSZACIVSA-N -2 0 359.356 0.317 20 0 FCADRL Cc1nc([N-]C(=O)c2sccc2S(=O)(=O)[N-]c2cnn(C)c2)n[nH]1 ZINC000502695170 490716194 /nfs/dbraw/zinc/71/61/94/490716194.db2.gz VKJUQRSRYQPCDF-UHFFFAOYSA-N -2 0 367.416 0.961 20 0 FCADRL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)cn1 ZINC000540038196 490806091 /nfs/dbraw/zinc/80/60/91/490806091.db2.gz AOZGHABSSWHYFV-UHFFFAOYSA-N -2 0 369.330 0.584 20 0 FCADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000540293082 490814406 /nfs/dbraw/zinc/81/44/06/490814406.db2.gz TVNVUYPBRKRUGS-UHFFFAOYSA-N -2 0 368.371 0.886 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cn1 ZINC000516221140 490857573 /nfs/dbraw/zinc/85/75/73/490857573.db2.gz QAMCGMFFCNFNKX-UHFFFAOYSA-N -2 0 352.372 0.057 20 0 FCADRL COC(=O)c1cc(F)c(C)c(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000517005332 490890808 /nfs/dbraw/zinc/89/08/08/490890808.db2.gz FLBFSKGYICGYLE-SECBINFHSA-N -2 0 363.319 0.127 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cnc2onc(C3CC3)c2c1 ZINC000565776173 491398889 /nfs/dbraw/zinc/39/88/89/491398889.db2.gz CVYLYAFYDAOJFJ-UHFFFAOYSA-N -2 0 355.328 0.260 20 0 FCADRL O=S(=O)([N-]c1c[nH]cn1)c1ccc(S(=O)(=O)[N-]c2c[nH]cn2)cc1 ZINC000558596091 491438128 /nfs/dbraw/zinc/43/81/28/491438128.db2.gz QULAKPXZKVQXOJ-UHFFFAOYSA-N -2 0 368.400 0.734 20 0 FCADRL Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cnn(C)c3C(=O)[O-])cc12 ZINC000566611273 491455897 /nfs/dbraw/zinc/45/58/97/491455897.db2.gz CBIDDNRHTGHFOB-UHFFFAOYSA-N -2 0 350.360 0.509 20 0 FCADRL C[C@@H]1Cc2cc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])ccc2O1 ZINC000579067343 491690206 /nfs/dbraw/zinc/69/02/06/491690206.db2.gz YKVKCOSAHWXBHJ-RFAUZJTJSA-N -2 0 357.384 0.854 20 0 FCADRL CC(C)(CCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000579109495 491691105 /nfs/dbraw/zinc/69/11/05/491691105.db2.gz VAJUUKITUDKTFM-UHFFFAOYSA-N -2 0 364.370 0.860 20 0 FCADRL O=C([O-])CCN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)C[C@@H]1CCCO1 ZINC000579484494 491698921 /nfs/dbraw/zinc/69/89/21/491698921.db2.gz PVWNXUPQUVMKLW-LBPRGKRZSA-N -2 0 367.427 0.964 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)CCOCc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000584157156 491859652 /nfs/dbraw/zinc/85/96/52/491859652.db2.gz RRVGNXSZLSNTCW-KGLIPLIRSA-N -2 0 371.411 0.640 20 0 FCADRL CN(CC(C)(C)CNC(=O)c1cc(=O)n(C)[n-]1)C(=O)c1cc(=O)n(C)[n-]1 ZINC000611788807 491874776 /nfs/dbraw/zinc/87/47/76/491874776.db2.gz IQTIZAKEGLMDMD-UHFFFAOYSA-N -2 0 364.406 0.093 20 0 FCADRL CCCC[C@H](CNC(=O)c1cc(=O)n(C)[n-]1)NC(=O)c1cc(=O)n(C)[n-]1 ZINC000612289070 491908748 /nfs/dbraw/zinc/90/87/48/491908748.db2.gz BWIVKLZLUWXDPB-SNVBAGLBSA-N -2 0 364.406 0.283 20 0 FCADRL COC(=O)Cc1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s1 ZINC000614327576 492024604 /nfs/dbraw/zinc/02/46/04/492024604.db2.gz FKQHUJHOQINYMG-MRVPVSSYSA-N -2 0 365.385 0.060 20 0 FCADRL COC(=O)c1c(F)cccc1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000614327635 492024770 /nfs/dbraw/zinc/02/47/70/492024770.db2.gz OMNPVSMJNUESHI-MRVPVSSYSA-N -2 0 363.319 0.209 20 0 FCADRL COC(=O)c1oc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)cc1C ZINC000599140997 492138136 /nfs/dbraw/zinc/13/81/36/492138136.db2.gz CWUBRUCPCBIJOD-UHFFFAOYSA-N -2 0 360.373 0.850 20 0 FCADRL C[C@](CNS(=O)(=O)c1ccc2c(c1)C(=O)CC2)(CC(=O)[O-])C(=O)[O-] ZINC000656157476 492557537 /nfs/dbraw/zinc/55/75/37/492557537.db2.gz MQIUTGGHKDAPEC-OAHLLOKOSA-N -2 0 355.368 0.659 20 0 FCADRL C[C@@](O)(CNS(=O)(=O)Cc1cc(F)ccc1Br)C(=O)[O-] ZINC000656563076 492633123 /nfs/dbraw/zinc/63/31/23/492633123.db2.gz NXPSPRPGVRFJGN-LLVKDONJSA-N -2 0 370.196 0.843 20 0 FCADRL COc1ncc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc1Cl ZINC000650410820 492638548 /nfs/dbraw/zinc/63/85/48/492638548.db2.gz XVTOPNORYDLUNG-LBPRGKRZSA-N -2 0 366.779 0.588 20 0 FCADRL COc1ccc(F)cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000650417671 492639899 /nfs/dbraw/zinc/63/98/99/492639899.db2.gz URNLRBVXABMLOZ-ZJUUUORDSA-N -2 0 361.347 0.630 20 0 FCADRL O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)[C@]3(C(=O)[O-])CC=CCC3)CC2)C1 ZINC000653309731 493091580 /nfs/dbraw/zinc/09/15/80/493091580.db2.gz KLAXXIAXBJGPQB-SGTLLEGYSA-N -2 0 364.398 0.722 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc(OCC(F)F)cc1)C(=O)[O-] ZINC000681562773 493186644 /nfs/dbraw/zinc/18/66/44/493186644.db2.gz DUCICDFXMNMQHS-SNVBAGLBSA-N -2 0 367.326 0.927 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1cnn(-c2ccccc2F)c1)C(=O)[O-] ZINC000681562766 493187319 /nfs/dbraw/zinc/18/73/19/493187319.db2.gz CXDLKRAIXAEHPO-LLVKDONJSA-N -2 0 371.346 0.608 20 0 FCADRL Cc1noc2ncc(S(=O)(=O)N3CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C3)cc12 ZINC000681590982 493193671 /nfs/dbraw/zinc/19/36/71/493193671.db2.gz VZQSAJDFESVDDQ-ONGXEEELSA-N -2 0 369.355 0.327 20 0 FCADRL Cc1noc2ncc(S(=O)(=O)N3CC[C@@](CC(=O)[O-])(C(=O)[O-])C3)cc12 ZINC000681590409 493193784 /nfs/dbraw/zinc/19/37/84/493193784.db2.gz WSUMIYBDRHLBHR-AWEZNQCLSA-N -2 0 369.355 0.471 20 0 FCADRL CCN(C)C(=O)c1cccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000672786589 493250018 /nfs/dbraw/zinc/25/00/18/493250018.db2.gz GXKZRIFAIDZLHB-GFCCVEGCSA-N -2 0 372.399 0.375 20 0 FCADRL CCC(CC)(CNC(=O)c1cc(=O)n(C)[n-]1)NC(=O)c1cc(=O)n(C)[n-]1 ZINC000668719283 493401268 /nfs/dbraw/zinc/40/12/68/493401268.db2.gz SXRJEVCHYFWZDY-UHFFFAOYSA-N -2 0 364.406 0.283 20 0 FCADRL COC[C@H](C)S(=O)(=O)N[C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684562349 493419152 /nfs/dbraw/zinc/41/91/52/493419152.db2.gz UVMVNJSQIZKYLT-GXFFZTMASA-N -2 0 359.400 0.264 20 0 FCADRL C[C@H]1CCN(S(=O)(=O)N[C@H](Cc2ccc(CC(=O)[O-])cc2)C(=O)[O-])C1 ZINC000684561961 493419167 /nfs/dbraw/zinc/41/91/67/493419167.db2.gz QGUHMOBEZVRBAX-SMDDNHRTSA-N -2 0 370.427 0.486 20 0 FCADRL O=C([O-])Cc1ccc(C[C@H](NS(=O)(=O)[C@@H]2CCOC2)C(=O)[O-])cc1 ZINC000684562526 493419338 /nfs/dbraw/zinc/41/93/38/493419338.db2.gz ZUBUHRCMHSHMQD-OLZOCXBDSA-N -2 0 357.384 0.018 20 0 FCADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1n[nH]cc1C(N)=O ZINC000671661042 493701833 /nfs/dbraw/zinc/70/18/33/493701833.db2.gz FUMJHTQQRXFBNL-UHFFFAOYSA-N -2 0 358.763 0.969 20 0 FCADRL CC(C)(CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000424388542 535040487 /nfs/dbraw/zinc/04/04/87/535040487.db2.gz HGXQYJGQSSKAAS-UHFFFAOYSA-N -2 0 356.360 0.215 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cn1 ZINC000436993425 536382248 /nfs/dbraw/zinc/38/22/48/536382248.db2.gz BZAZBBPIODMJNJ-UHFFFAOYSA-N -2 0 355.328 0.261 20 0 FCADRL COc1cc(Cl)ccc1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000314703683 546510049 /nfs/dbraw/zinc/51/00/49/546510049.db2.gz JWMXGXYEWOSXAE-MRVPVSSYSA-N -2 0 351.764 0.945 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2cc(C)n(CC(=O)NC)n2)cc1C(=O)[O-] ZINC000504264948 546518426 /nfs/dbraw/zinc/51/84/26/546518426.db2.gz AUAGRZAFQXXASU-UHFFFAOYSA-N -2 0 369.403 0.258 20 0 FCADRL CCOC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000737146382 599727687 /nfs/dbraw/zinc/72/76/87/599727687.db2.gz LPYCIMGOEYLTPK-RYUDHWBXSA-N -2 0 370.383 0.458 20 0 FCADRL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1 ZINC000737650133 599738336 /nfs/dbraw/zinc/73/83/36/599738336.db2.gz LOQRJIDGVZURIS-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n1 ZINC000737630718 599738483 /nfs/dbraw/zinc/73/84/83/599738483.db2.gz IJYSGHVPBUYJBI-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])n1 ZINC000737631889 599738951 /nfs/dbraw/zinc/73/89/51/599738951.db2.gz WHVFZIINWXRZTL-UHFFFAOYSA-N -2 0 357.344 0.765 20 0 FCADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1 ZINC000739767570 599739523 /nfs/dbraw/zinc/73/95/23/599739523.db2.gz UXPOGJCLQICCMH-UHFFFAOYSA-N -3 0 353.356 0.786 20 0 FCADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)n1 ZINC000739920883 599739922 /nfs/dbraw/zinc/73/99/22/599739922.db2.gz SEXWATQGKRLESR-UHFFFAOYSA-N -2 0 367.387 0.333 20 0 FCADRL COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-] ZINC000737724096 599797084 /nfs/dbraw/zinc/79/70/84/599797084.db2.gz VWBRBDWBYQWRSV-UHFFFAOYSA-N -2 0 350.374 0.387 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-])s1 ZINC000737699474 599798811 /nfs/dbraw/zinc/79/88/11/599798811.db2.gz CMQHJRKLIXWXHZ-UHFFFAOYSA-N -2 0 367.426 0.548 20 0 FCADRL O=C([O-])COc1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)cc1 ZINC000739824581 599798857 /nfs/dbraw/zinc/79/88/57/599798857.db2.gz SAYPTIKGTQHFGI-CYBMUJFWSA-N -2 0 357.384 0.779 20 0 FCADRL NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)s1 ZINC000739178562 599823992 /nfs/dbraw/zinc/82/39/92/599823992.db2.gz YHXSUCPPYNJCKV-UHFFFAOYSA-N -2 0 360.394 0.725 20 0 FCADRL COc1cc(C(=O)[O-])c(NS(=O)(=O)CCC(=O)[O-])c(OC)c1OC ZINC000737850011 599877310 /nfs/dbraw/zinc/87/73/10/599877310.db2.gz UGKIJSFAQKGNJN-UHFFFAOYSA-N -2 0 363.344 0.627 20 0 FCADRL COC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])C(C)C ZINC000737635125 599883904 /nfs/dbraw/zinc/88/39/04/599883904.db2.gz YJUIMMIYZMNRKI-MRVPVSSYSA-N -2 0 364.401 0.632 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@H](NC(=O)[O-])C(C)C)c1 ZINC000737714895 599885323 /nfs/dbraw/zinc/88/53/23/599885323.db2.gz YVTQOPQUHOXPHS-LLVKDONJSA-N -2 0 358.372 0.570 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CCOc3ccccc32)CC1 ZINC000739598122 599890492 /nfs/dbraw/zinc/89/04/92/599890492.db2.gz SAPIBODUUSFFGT-ZDUSSCGKSA-N -2 0 368.411 0.710 20 0 FCADRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)[N-]C(=O)c1cocn1 ZINC000737651001 599911924 /nfs/dbraw/zinc/91/19/24/599911924.db2.gz POERNSIQOIXIQO-UHFFFAOYSA-N -2 0 374.352 0.648 20 0 FCADRL Cc1nn2c([n-]nc2SCC(=O)Nc2ccsc2C(=O)[O-])nc1=O ZINC000738928947 600003417 /nfs/dbraw/zinc/00/34/17/600003417.db2.gz VXPMKEUQEJAOBB-UHFFFAOYSA-N -2 0 366.384 0.612 20 0 FCADRL COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCC[C@H]3C(=O)[O-])cc2)[n-]1 ZINC000737626998 600070629 /nfs/dbraw/zinc/07/06/29/600070629.db2.gz DBVSGLLAAFHJAK-AWEZNQCLSA-N -2 0 373.365 0.570 20 0 FCADRL CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cn1 ZINC000737350035 600099066 /nfs/dbraw/zinc/09/90/66/600099066.db2.gz PNMIWOBBPVISCN-UHFFFAOYSA-N -2 0 352.372 0.470 20 0 FCADRL C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736699524 600129391 /nfs/dbraw/zinc/12/93/91/600129391.db2.gz DLTMTMFKDXTSGK-BDAKNGLRSA-N -2 0 363.413 0.835 20 0 FCADRL O=C([O-])CCN(Cc1ccccc1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000739723495 600152205 /nfs/dbraw/zinc/15/22/05/600152205.db2.gz KNNWFWVTTIDBBY-UHFFFAOYSA-N -2 0 355.354 0.575 20 0 FCADRL C[C@H](CN(Cc1ccccc1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)[O-] ZINC000736582500 600152764 /nfs/dbraw/zinc/15/27/64/600152764.db2.gz IPFJRAKZWFJPIO-GFCCVEGCSA-N -2 0 369.381 0.821 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CC3)C2)s1 ZINC000740174110 600163096 /nfs/dbraw/zinc/16/30/96/600163096.db2.gz SHCMBQGZKJXSEC-SSDOTTSWSA-N -2 0 358.397 0.262 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)c1C(=O)[O-] ZINC000738829101 600232695 /nfs/dbraw/zinc/23/26/95/600232695.db2.gz KBKFUBRANNDUDX-UHFFFAOYSA-N -2 0 358.763 0.969 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2COc3ccccc32)CC1 ZINC000739597499 600242110 /nfs/dbraw/zinc/24/21/10/600242110.db2.gz AKAJURNBRUBADX-GFCCVEGCSA-N -2 0 354.384 0.320 20 0 FCADRL COc1cc(C=CC(=O)[O-])cc(S(=O)(=O)[N-]c2nnc[nH]2)c1OC ZINC000737870590 600244014 /nfs/dbraw/zinc/24/40/14/600244014.db2.gz FNYZBXNPINHXKW-ARJAWSKDSA-N -2 0 354.344 0.721 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)N(CCOC)CC(=O)[O-])cc2[n-]c1=S ZINC000737296321 600420075 /nfs/dbraw/zinc/42/00/75/600420075.db2.gz WTMBEGVKOOEERC-UHFFFAOYSA-N -2 0 365.411 0.878 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000739692537 600460619 /nfs/dbraw/zinc/46/06/19/600460619.db2.gz RATZBMHFKIAOCN-NSHDSACASA-N -2 0 356.356 0.087 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cn(Cc2ccccc2)nn1 ZINC000739696392 600463034 /nfs/dbraw/zinc/46/30/34/600463034.db2.gz UZMKFKCARCUJAD-UHFFFAOYSA-N -2 0 352.372 0.251 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000739695102 600464675 /nfs/dbraw/zinc/46/46/75/600464675.db2.gz DRASKACZGJLCIW-SNVBAGLBSA-N -2 0 372.374 0.489 20 0 FCADRL COc1cc(OC)c(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1OC ZINC000737899986 600465624 /nfs/dbraw/zinc/46/56/24/600465624.db2.gz QGDGSDSDYTXJOY-UHFFFAOYSA-N -2 0 361.372 0.637 20 0 FCADRL CCc1nc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])nn1-c1ccccc1 ZINC000737276304 600472919 /nfs/dbraw/zinc/47/29/19/600472919.db2.gz GDWOQDSBMZOJAO-UHFFFAOYSA-N -2 0 366.399 0.754 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1 ZINC000321070864 600529352 /nfs/dbraw/zinc/52/93/52/600529352.db2.gz PPUNNUHGMOOILL-UHFFFAOYSA-N -2 0 359.385 0.172 20 0 FCADRL Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC000738660885 600529654 /nfs/dbraw/zinc/52/96/54/600529654.db2.gz XMPPZBLTZIGNQE-UHFFFAOYSA-N -2 0 373.412 0.480 20 0 FCADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1 ZINC000739825744 600529674 /nfs/dbraw/zinc/52/96/74/600529674.db2.gz GRXZOHJSXHFTMT-UHFFFAOYSA-N -3 0 355.328 0.232 20 0 FCADRL COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000831226231 600681523 /nfs/dbraw/zinc/68/15/23/600681523.db2.gz JJPZFGBZAPVFRD-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)ccc1C(=O)N(C)C ZINC000832899321 600684229 /nfs/dbraw/zinc/68/42/29/600684229.db2.gz IERNODXVSFXEDA-UHFFFAOYSA-N -2 0 366.399 0.779 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1C ZINC000737703709 600890787 /nfs/dbraw/zinc/89/07/87/600890787.db2.gz ZYALHNXJGSQTGC-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL CCNC(=O)CCCC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000829790540 600943893 /nfs/dbraw/zinc/94/38/93/600943893.db2.gz WLHASSCDMPPPFX-UHFFFAOYSA-N -2 0 356.400 0.637 20 0 FCADRL O=C([O-])[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000833179204 600962347 /nfs/dbraw/zinc/96/23/47/600962347.db2.gz NOXHMWCSYNVSJC-NXEZZACHSA-N -2 0 353.331 0.537 20 0 FCADRL COCCOc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cn1 ZINC000325117538 600977854 /nfs/dbraw/zinc/97/78/54/600977854.db2.gz PCHBUXOVOZVPPJ-UHFFFAOYSA-N -2 0 356.360 0.189 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccnc2N2CCCC2)cn1 ZINC000324855022 600978404 /nfs/dbraw/zinc/97/84/04/600978404.db2.gz LFLHQPAWFLZKBU-UHFFFAOYSA-N -2 0 351.388 0.764 20 0 FCADRL CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c1 ZINC000831038801 600982336 /nfs/dbraw/zinc/98/23/36/600982336.db2.gz UNULXJXCINNGJT-UHFFFAOYSA-N -2 0 371.396 0.489 20 0 FCADRL CN1C(=O)c2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccn3)cc2C1=O ZINC000830907631 600982367 /nfs/dbraw/zinc/98/23/67/600982367.db2.gz OLLWHJKUFFKUQO-UHFFFAOYSA-N -2 0 361.335 0.806 20 0 FCADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ncn(CC(=O)[O-])n1 ZINC000831384872 600986759 /nfs/dbraw/zinc/98/67/59/600986759.db2.gz DZEKDPPGBLVDTE-UHFFFAOYSA-N -2 0 374.762 0.604 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c1C ZINC000831457687 600987187 /nfs/dbraw/zinc/98/71/87/600987187.db2.gz RTLNTTCQSSURAU-UHFFFAOYSA-N -2 0 354.344 0.259 20 0 FCADRL CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1 ZINC000736124490 601046634 /nfs/dbraw/zinc/04/66/34/601046634.db2.gz XUOAADYNNMGZHU-UHFFFAOYSA-N -2 0 352.372 0.751 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccccc1 ZINC000826039480 601163852 /nfs/dbraw/zinc/16/38/52/601163852.db2.gz UEPBIVOZZMIGHC-YGRLFVJLSA-N -2 0 355.354 0.649 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccccc1 ZINC000826039477 601163885 /nfs/dbraw/zinc/16/38/85/601163885.db2.gz UEPBIVOZZMIGHC-HZMBPMFUSA-N -2 0 355.354 0.649 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccccc1 ZINC000826039478 601164049 /nfs/dbraw/zinc/16/40/49/601164049.db2.gz UEPBIVOZZMIGHC-IINYFYTJSA-N -2 0 355.354 0.649 20 0 FCADRL O=C([O-])CCCCCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000760105425 601274178 /nfs/dbraw/zinc/27/41/78/601274178.db2.gz XRIPJQLSBFNZSF-UHFFFAOYSA-N -2 0 370.387 0.749 20 0 FCADRL NC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cn1 ZINC000324867757 601322954 /nfs/dbraw/zinc/32/29/54/601322954.db2.gz PCCJMHAPKKFUJA-ZZXKWVIFSA-N -2 0 350.356 0.267 20 0 FCADRL NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)cc1 ZINC000833088644 601357746 /nfs/dbraw/zinc/35/77/46/601357746.db2.gz CLBKNTRBEXOCDH-UHFFFAOYSA-N -2 0 362.410 0.895 20 0 FCADRL COC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)n1 ZINC000831192194 601361647 /nfs/dbraw/zinc/36/16/47/601361647.db2.gz FJAUAEGZROESEV-UHFFFAOYSA-N -2 0 368.371 0.567 20 0 FCADRL COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000831644388 601500507 /nfs/dbraw/zinc/50/05/07/601500507.db2.gz ZJMLJGOIWONYTI-LLVKDONJSA-N -2 0 359.400 0.861 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cc(C)c1OCC(=O)[O-] ZINC000832865131 601501013 /nfs/dbraw/zinc/50/10/13/601501013.db2.gz OPXCJLQNGVXOQI-UHFFFAOYSA-N -2 0 372.399 0.074 20 0 FCADRL O=C([O-])CC1(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCC1 ZINC000833206539 601521320 /nfs/dbraw/zinc/52/13/20/601521320.db2.gz XCXXNKQFXADNBI-UHFFFAOYSA-N -2 0 354.344 0.112 20 0 FCADRL C[C@@H](CS(=O)(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)[O-] ZINC000827570669 601613042 /nfs/dbraw/zinc/61/30/42/601613042.db2.gz FPESFLXNXHBTER-VIFPVBQESA-N -2 0 358.372 0.354 20 0 FCADRL C[C@H](CS(=O)(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000827569874 601616870 /nfs/dbraw/zinc/61/68/70/601616870.db2.gz BEOVNCRSUSTGMZ-SSDOTTSWSA-N -2 0 365.385 0.251 20 0 FCADRL Cc1cc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc(C)c1OCC(=O)[O-] ZINC000832867627 601756891 /nfs/dbraw/zinc/75/68/91/601756891.db2.gz PAUJGZGQMGPWEB-UHFFFAOYSA-N -2 0 368.371 0.541 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n(-c2ncccn2)n1 ZINC000832898177 601770005 /nfs/dbraw/zinc/77/00/05/601770005.db2.gz FDLZNVFUEKLYJH-UHFFFAOYSA-N -2 0 362.371 0.808 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)cc1C(N)=O ZINC000325442680 601771096 /nfs/dbraw/zinc/77/10/96/601771096.db2.gz NMKGSXKBWQRHIL-UHFFFAOYSA-N -2 0 372.428 0.789 20 0 FCADRL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)c1 ZINC000829872931 601784466 /nfs/dbraw/zinc/78/44/66/601784466.db2.gz DVAYMNMZQGTGJS-UHFFFAOYSA-N -2 0 356.360 0.732 20 0 FCADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CO2 ZINC000833361356 601832981 /nfs/dbraw/zinc/83/29/81/601832981.db2.gz UTKNRHGCJUKKFH-UHFFFAOYSA-N -2 0 355.353 0.973 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cn1 ZINC000831192117 601859765 /nfs/dbraw/zinc/85/97/65/601859765.db2.gz AXSWIAXWXDDEPW-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc2c(c1)S(=O)(=O)CC2 ZINC000833345411 601990171 /nfs/dbraw/zinc/99/01/71/601990171.db2.gz BDKQJEZATQVZFW-UHFFFAOYSA-N -2 0 374.421 0.972 20 0 FCADRL NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1 ZINC000833089897 602115284 /nfs/dbraw/zinc/11/52/84/602115284.db2.gz FPYRNHULDFCMLT-UHFFFAOYSA-N -2 0 362.410 0.895 20 0 FCADRL CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-] ZINC000830085134 602179163 /nfs/dbraw/zinc/17/91/63/602179163.db2.gz PKILDHFASBVTJI-SECBINFHSA-N -2 0 372.399 0.959 20 0 FCADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZINC000827303859 602188116 /nfs/dbraw/zinc/18/81/16/602188116.db2.gz JTIWJNTULKFRKC-ZDUSSCGKSA-N -2 0 369.443 0.276 20 0 FCADRL CC(=O)c1[nH]c(CC(=O)[N-]S(=O)(=O)c2cnccn2)c(C(=O)[O-])c1C ZINC000825936386 602200940 /nfs/dbraw/zinc/20/09/40/602200940.db2.gz BSRKTWAWRDRXGY-UHFFFAOYSA-N -2 0 366.355 0.062 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)OCCNC(=O)[O-])cn1 ZINC000739038027 602214973 /nfs/dbraw/zinc/21/49/73/602214973.db2.gz YJIBMNLXJSFPEP-UHFFFAOYSA-N -2 0 374.400 0.707 20 0 FCADRL CN1CCCc2ccc(S(=O)(=O)[N-]c3ncn(CC(=O)[O-])n3)cc21 ZINC000830945807 602306116 /nfs/dbraw/zinc/30/61/16/602306116.db2.gz AHCSTYMCNUYXGD-UHFFFAOYSA-N -2 0 351.388 0.546 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1C(N)=O ZINC000832654428 602319902 /nfs/dbraw/zinc/31/99/02/602319902.db2.gz ODHGVVZMJWZEJJ-UHFFFAOYSA-N -2 0 351.340 0.688 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1C(N)=O ZINC000761907469 602320010 /nfs/dbraw/zinc/32/00/10/602320010.db2.gz AXWOBCMZDBWCSU-UHFFFAOYSA-N -2 0 369.330 0.827 20 0 FCADRL CC(C)[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000736376329 602949392 /nfs/dbraw/zinc/94/93/92/602949392.db2.gz TXWPVWWBUWSVCV-GFCCVEGCSA-N -2 0 371.415 0.486 20 0 FCADRL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-])c1 ZINC000737361377 602949724 /nfs/dbraw/zinc/94/97/24/602949724.db2.gz NKHASCJWNSQIGC-UHFFFAOYSA-N -2 0 357.388 0.241 20 0 FCADRL CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1C ZINC000829869958 604767665 /nfs/dbraw/zinc/76/76/65/604767665.db2.gz WQEGLLBHYCPCRA-UHFFFAOYSA-N -2 0 370.387 0.890 20 0 FCADRL CCN(CC)C(=O)CSCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC000825406087 607714577 /nfs/dbraw/zinc/71/45/77/607714577.db2.gz JDSOZHJVOUDOJE-UHFFFAOYSA-N -2 0 362.419 0.717 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)cn1 ZINC000833274067 604793846 /nfs/dbraw/zinc/79/38/46/604793846.db2.gz NOGVJWYFVZVTPA-UHFFFAOYSA-N -2 0 353.282 0.527 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)n(C2CCOCC2)n1 ZINC000832899451 604798840 /nfs/dbraw/zinc/79/88/40/604798840.db2.gz LGPOOZGXCYVJDI-UHFFFAOYSA-N -2 0 369.403 0.625 20 0 FCADRL Cc1ccc(F)c(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1C(=O)[O-] ZINC000833749855 604943911 /nfs/dbraw/zinc/94/39/11/604943911.db2.gz XNXCXAFOSLVVNA-UHFFFAOYSA-N -2 0 357.319 0.914 20 0 FCADRL NC(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])o1 ZINC000833762561 605043518 /nfs/dbraw/zinc/04/35/18/605043518.db2.gz OTULKWGASZPPNY-UHFFFAOYSA-N -2 0 359.747 0.604 20 0 FCADRL CC(C)C[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000833479359 605121269 /nfs/dbraw/zinc/12/12/69/605121269.db2.gz LOGWZEYCOBYXQX-SNVBAGLBSA-N -2 0 358.372 0.903 20 0 FCADRL NS(=O)(=O)c1cc(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC000833762558 605186141 /nfs/dbraw/zinc/18/61/41/605186141.db2.gz WMODBFCHOCAVCM-UHFFFAOYSA-N -2 0 364.332 0.565 20 0 FCADRL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000833701003 605231717 /nfs/dbraw/zinc/23/17/17/605231717.db2.gz ZWHZEYXUCVWWIC-NWDGAFQWSA-N -2 0 368.411 0.742 20 0 FCADRL Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)n1 ZINC000822623420 606710260 /nfs/dbraw/zinc/71/02/60/606710260.db2.gz WMCKCWJKKNNPCX-UHFFFAOYSA-N -2 0 367.322 0.238 20 0 FCADRL COCCOCCS(=O)(=O)[N-]c1cc(-c2nn[nH]n2)ccc1OC ZINC000826160792 607846170 /nfs/dbraw/zinc/84/61/70/607846170.db2.gz GRYMPWLHXOJJSS-UHFFFAOYSA-N -2 0 357.392 0.280 20 0 FCADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)NCc1ccco1 ZINC000064939773 663344827 /nfs/dbraw/zinc/34/48/27/663344827.db2.gz TYGNYMKKSJUFJX-UHFFFAOYSA-N -2 0 369.355 0.685 20 0 FCADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)c1cccn1C ZINC000031667397 666221178 /nfs/dbraw/zinc/22/11/78/666221178.db2.gz DDOLOWSQNOSMPT-UHFFFAOYSA-N -2 0 353.356 0.361 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)cc2[n-]c1=S ZINC000733724897 666932540 /nfs/dbraw/zinc/93/25/40/666932540.db2.gz YKZLPDLORIAUCK-SECBINFHSA-N -2 0 369.424 0.071 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C1=O ZINC000916105178 666991318 /nfs/dbraw/zinc/99/13/18/666991318.db2.gz UKHWEYWCNYGIHZ-ZDUSSCGKSA-N -2 0 357.344 0.004 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)C(=O)[O-] ZINC000916110168 666991931 /nfs/dbraw/zinc/99/19/31/666991931.db2.gz OCEVSNVKZUINGU-SSDOTTSWSA-N -3 0 351.720 0.244 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1=O ZINC000918063352 667098564 /nfs/dbraw/zinc/09/85/64/667098564.db2.gz SNPWKOLQEXWHLH-CYBMUJFWSA-N -2 0 359.335 0.438 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)c1Cl ZINC000753775329 667565908 /nfs/dbraw/zinc/56/59/08/667565908.db2.gz TVMSKYGQWBEUDG-UHFFFAOYSA-N -2 0 372.790 0.829 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000759456617 667806439 /nfs/dbraw/zinc/80/64/39/667806439.db2.gz PAUANXXSZNPTHF-MRVPVSSYSA-N -2 0 360.354 0.459 20 0 FCADRL CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccnc2)cc1 ZINC000763086856 667943019 /nfs/dbraw/zinc/94/30/19/667943019.db2.gz QAOMEJGDILSUKR-UHFFFAOYSA-N -2 0 355.397 0.707 20 0 FCADRL C[C@@](O)(CNC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC000769743449 668150972 /nfs/dbraw/zinc/15/09/72/668150972.db2.gz UFOMVGTWPQRFAQ-MRXNPFEDSA-N -2 0 366.395 0.777 20 0 FCADRL COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000776437552 668261876 /nfs/dbraw/zinc/26/18/76/668261876.db2.gz QKWMIUCOHXEYTF-REPPVQDKSA-N -2 0 371.367 0.469 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCCc1n[n-]c(=S)o1 ZINC000776541674 668269957 /nfs/dbraw/zinc/26/99/57/668269957.db2.gz HCNGURDQBFVHCO-UHFFFAOYSA-N -2 0 360.392 0.841 20 0 FCADRL Cc1cc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cnc1Cl ZINC000776584419 668274207 /nfs/dbraw/zinc/27/42/07/668274207.db2.gz MFFWXAWCKYVDDS-LBPRGKRZSA-N -2 0 350.780 0.887 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc(N2CCOC2=O)cc1)C(=O)[O-] ZINC000776634272 668280799 /nfs/dbraw/zinc/28/07/99/668280799.db2.gz IZEHCIUAODIQJC-VIFPVBQESA-N -2 0 372.355 0.097 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)OC3)C[C@H]1C(=O)[O-] ZINC000776718652 668290253 /nfs/dbraw/zinc/29/02/53/668290253.db2.gz PHNOIJNYVLTGPR-ZYHUDNBSSA-N -2 0 369.351 0.153 20 0 FCADRL Cn1nnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)n1 ZINC000781970167 668541504 /nfs/dbraw/zinc/54/15/04/668541504.db2.gz OVABFMOXFXMZMK-UHFFFAOYSA-N -2 0 366.186 0.694 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)cc(C(=O)[O-])c1Cl ZINC000795355181 669028477 /nfs/dbraw/zinc/02/84/77/669028477.db2.gz ZRGKNKQAZTYXJS-UHFFFAOYSA-N -2 0 358.763 0.969 20 0 FCADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)N2CCCCC2)c1 ZINC000819959263 669044225 /nfs/dbraw/zinc/04/42/25/669044225.db2.gz CDQNKKOOBMNXNL-JOCHJYFZSA-N -2 0 360.457 0.650 20 0 FCADRL O=C([N-]O[C@@H]1CCCCO1)[C@H]1CC[C@@H](C(=O)[N-]O[C@@H]2CCCCO2)O1 ZINC000825026871 669432434 /nfs/dbraw/zinc/43/24/34/669432434.db2.gz OSKCDINYICETBY-XJFOESAGSA-N -2 0 358.391 0.683 20 0 FCADRL CC(C)[C@H](CO)O[N-]C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000836907719 670068267 /nfs/dbraw/zinc/06/82/67/670068267.db2.gz RWZAQJZNGCAFCX-NSHDSACASA-N -2 0 352.359 0.308 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cncc(F)c1 ZINC000851700356 671459968 /nfs/dbraw/zinc/45/99/68/671459968.db2.gz BEYGYOOAUDKULT-NXEZZACHSA-N -2 0 363.267 0.957 20 0 FCADRL Cc1cnc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])cn1 ZINC000851701327 671460791 /nfs/dbraw/zinc/46/07/91/671460791.db2.gz UESGBQHHBHUGFI-WPRPVWTQSA-N -2 0 360.292 0.521 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cc1cscn1 ZINC000852958732 671533915 /nfs/dbraw/zinc/53/39/15/671533915.db2.gz RHYYLZBZSVHBTD-WPRPVWTQSA-N -2 0 365.333 0.808 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])CC2(C)C)s1 ZINC000863953557 672164158 /nfs/dbraw/zinc/16/41/58/672164158.db2.gz RVLRSAXRLCFRTQ-ZDUSSCGKSA-N -2 0 361.397 0.841 20 0 FCADRL COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)cc1 ZINC000863954536 672165247 /nfs/dbraw/zinc/16/52/47/672165247.db2.gz YYXVUBMJMMZLDK-UHFFFAOYSA-N -2 0 367.379 0.840 20 0 FCADRL COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC000863958735 672167206 /nfs/dbraw/zinc/16/72/06/672167206.db2.gz JAKTXXJDPIHZLJ-ZJUUUORDSA-N -2 0 357.384 0.950 20 0 FCADRL CCCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)cc1 ZINC000863959143 672167426 /nfs/dbraw/zinc/16/74/26/672167426.db2.gz VCSAALQBARKMFL-QWHCGFSZSA-N -2 0 357.384 0.913 20 0 FCADRL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])nc1 ZINC000863961098 672168262 /nfs/dbraw/zinc/16/82/62/672168262.db2.gz GPIDNPMASYDVRT-NSHDSACASA-N -2 0 358.372 0.571 20 0 FCADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000863962077 672168905 /nfs/dbraw/zinc/16/89/05/672168905.db2.gz XXUQTSMDNORNMY-ZDUSSCGKSA-N -2 0 372.374 0.872 20 0 FCADRL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000863962209 672168918 /nfs/dbraw/zinc/16/89/18/672168918.db2.gz WDRACIGSOLMNNI-NXEZZACHSA-N -2 0 351.421 0.911 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000863962075 672168942 /nfs/dbraw/zinc/16/89/42/672168942.db2.gz XXUQTSMDNORNMY-CYBMUJFWSA-N -2 0 372.374 0.872 20 0 FCADRL Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)cc12 ZINC000863962619 672169205 /nfs/dbraw/zinc/16/92/05/672169205.db2.gz QNIMAHUPUIXWMH-NSHDSACASA-N -2 0 354.388 0.438 20 0 FCADRL Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)[C@]3(C(=O)[O-])CC3(C)C)cc12 ZINC000863962654 672169226 /nfs/dbraw/zinc/16/92/26/672169226.db2.gz SHRMOISCHKLDFK-HNNXBMFYSA-N -2 0 366.399 0.583 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)c(C(F)(F)F)n1 ZINC000863963910 672170126 /nfs/dbraw/zinc/17/01/26/672170126.db2.gz KHOCGLRMNCDUAM-UHFFFAOYSA-N -2 0 355.294 0.499 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C)c(C(F)(F)F)n1 ZINC000863964305 672170495 /nfs/dbraw/zinc/17/04/95/672170495.db2.gz QYOISJAQQXQXJY-ZETCQYMHSA-N -2 0 371.337 0.991 20 0 FCADRL C[C@H](C(=O)[O-])N(C)C(=O)c1cnc(I)c([O-])c1 ZINC000901452325 675791002 /nfs/dbraw/zinc/79/10/02/675791002.db2.gz WTLYFGKQSDACQK-RXMQYKEDSA-N -2 0 350.112 0.937 20 0 FCADRL CCC[C@@H]1C[C@H]1C(=O)NCc1nc(CNCc2n[nH]c(=O)[n-]2)cc(=O)[nH]1 ZINC001087259944 1180758639 /nfs/dbraw/zinc/75/86/39/1180758639.db2.gz OOZUKEGWDVMSAQ-MWLCHTKSSA-N -2 0 361.406 0.348 20 0 FCADRL CC(C)(C)OC(=O)NC(C)(C)c1nocc1C(=O)[N-]n1c(=O)[n-][nH]c1=O ZINC000854611236 1209635902 /nfs/dbraw/zinc/63/59/02/1209635902.db2.gz RQCAXWRGMDUTSB-UHFFFAOYSA-N -2 0 368.350 0.821 20 0 FCADRL COC(=O)c1ccc(OC)cc1COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001223009315 1225673033 /nfs/dbraw/zinc/67/30/33/1225673033.db2.gz TUHCCNGJTIVXFJ-AAEUAGOBSA-N -2 0 370.310 0.061 20 0 FCADRL COC(=O)c1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1OC ZINC001223288956 1225695858 /nfs/dbraw/zinc/69/58/58/1225695858.db2.gz UJDGUGNNXYMZQP-GWCFXTLKSA-N -2 0 370.310 0.061 20 0 FCADRL COC(=O)c1cccc(OC)c1COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001223405461 1225703824 /nfs/dbraw/zinc/70/38/24/1225703824.db2.gz DQQWUZNLXNQFCL-ZANVPECISA-N -2 0 370.310 0.061 20 0 FCADRL COC(=O)c1ccc(OC)c(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001223970811 1225749267 /nfs/dbraw/zinc/74/92/67/1225749267.db2.gz VYCSBOAWQUYFHE-MFKMUULPSA-N -2 0 370.310 0.061 20 0 FCADRL COC(=O)c1c(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cccc1OC ZINC001224169461 1225762774 /nfs/dbraw/zinc/76/27/74/1225762774.db2.gz RWPYEARTMPXPHC-TVQRCGJNSA-N -2 0 370.310 0.061 20 0 FCADRL COc1ccc2[nH]c(=O)cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2c1 ZINC001226932870 1225858268 /nfs/dbraw/zinc/85/82/68/1225858268.db2.gz STVDOPHGNPRUJS-YMTOWFKASA-N -2 0 365.294 0.391 20 0 FCADRL CC(=O)Nc1ccc(C(C)=O)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001227183342 1225865200 /nfs/dbraw/zinc/86/52/00/1225865200.db2.gz QLNBYAWKVJDNQK-RISCZKNCSA-N -2 0 367.310 0.289 20 0 FCADRL COc1ccc(C(C)=O)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1OC ZINC001227416613 1225873478 /nfs/dbraw/zinc/87/34/78/1225873478.db2.gz GKGHUXVUVXMSMX-BXKDBHETSA-N -2 0 370.310 0.348 20 0 FCADRL CC(C)COC(=O)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228398455 1225918060 /nfs/dbraw/zinc/91/80/60/1225918060.db2.gz OPWJUWUVSAHJFY-RISCZKNCSA-N -2 0 368.338 0.941 20 0 FCADRL COc1cccc2c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(C)nc12 ZINC001228499765 1225927879 /nfs/dbraw/zinc/92/78/79/1225927879.db2.gz BIXZWIGJZNJYRE-ZUZCIYMTSA-N -2 0 363.322 0.994 20 0 FCADRL COc1cc(OC)c(C(C)=O)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001229474529 1226013415 /nfs/dbraw/zinc/01/34/15/1226013415.db2.gz WSOLLANBCAOOGS-LKFCYVNXSA-N -2 0 370.310 0.348 20 0 FCADRL Cn1[n-]c(C(=O)NCCCC(C)(C)NC(=O)c2cc(=O)n(C)[n-]2)cc1=O ZINC001118708569 1221822382 /nfs/dbraw/zinc/82/23/82/1221822382.db2.gz UZBQHIIQUGOTDX-UHFFFAOYSA-N -2 0 364.406 0.283 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)ncc1-c1ccccc1)[C@@H](O)C(=O)[O-] ZINC001230974966 1226093704 /nfs/dbraw/zinc/09/37/04/1226093704.db2.gz OGNIAEYNNHGROM-BXKDBHETSA-N -2 0 362.294 0.291 20 0 FCADRL COC(=O)c1cc(F)c(OC)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001231111695 1226099388 /nfs/dbraw/zinc/09/93/88/1226099388.db2.gz YACPUJWBQPEOAI-RDDDGLTNSA-N -2 0 374.273 0.063 20 0 FCADRL COC(=O)c1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(OC)cc1C ZINC001231367069 1226105044 /nfs/dbraw/zinc/10/50/44/1226105044.db2.gz QCDWPTPMPDTSSK-NOZJJQNGSA-N -2 0 370.310 0.232 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1nc[nH]c(=O)c1-c1ccccc1)[C@@H](O)C(=O)[O-] ZINC001234692637 1259563491 /nfs/dbraw/zinc/56/34/91/1259563491.db2.gz QIYBDUICYQGBGH-BXKDBHETSA-N -2 0 362.294 0.291 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1nc[nH]c(=O)c1-c1ccccc1)[C@H](O)C(=O)[O-] ZINC001234692645 1259564129 /nfs/dbraw/zinc/56/41/29/1259564129.db2.gz QIYBDUICYQGBGH-SKDRFNHKSA-N -2 0 362.294 0.291 20 0 FCADRL COc1cc(F)c2c(c1)ncnc2OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234874345 1259564933 /nfs/dbraw/zinc/56/49/33/1259564933.db2.gz ZUNIYZLZZBLREP-KRTXAFLBSA-N -2 0 368.273 0.219 20 0 FCADRL CC[C@H](C)N(CC(=O)OC)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001576653418 1273510315 /nfs/dbraw/zinc/51/03/15/1273510315.db2.gz ZHFGMWKZCPNUIJ-VIFPVBQESA-N -2 0 360.378 0.389 20 0 FCADRL C[C@H](C(=O)[N-]OCCCC(=O)[O-])N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001603173061 1287321373 /nfs/dbraw/zinc/32/13/73/1287321373.db2.gz DMMHHTPUJUWFOS-LLVKDONJSA-N -2 0 373.406 0.367 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC001603187948 1287325417 /nfs/dbraw/zinc/32/54/17/1287325417.db2.gz LBSLUCJFUYOZHG-AXFHLTTASA-N -2 0 360.432 0.333 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc(-c2cnn(C)c2)s1 ZINC001603186927 1287325566 /nfs/dbraw/zinc/32/55/66/1287325566.db2.gz CYEYYACMTLBXFP-JGVFFNPUSA-N -2 0 372.428 0.712 20 0 FCADRL CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)N(CCO)CCC(=O)[O-])cc1 ZINC001603270751 1287345194 /nfs/dbraw/zinc/34/51/94/1287345194.db2.gz HJZNTEQVLINBGX-UHFFFAOYSA-N -2 0 359.400 0.507 20 0 FCADRL CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)[N-]OCCC(F)(F)F)cn1 ZINC001603282281 1287346517 /nfs/dbraw/zinc/34/65/17/1287346517.db2.gz NSQUMFFNERLZRY-UHFFFAOYSA-N -2 0 352.269 0.642 20 0 FCADRL CC(C)(C)n1cc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)nn1 ZINC001603567637 1287428066 /nfs/dbraw/zinc/42/80/66/1287428066.db2.gz NTWKYGCLVODWEK-UHFFFAOYSA-N -2 0 358.401 0.912 20 0 FCADRL CC(C)(CCNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1)C(=O)[O-] ZINC001603599086 1287434962 /nfs/dbraw/zinc/43/49/62/1287434962.db2.gz FLUDHUIWORMBGH-UHFFFAOYSA-N -2 0 352.343 0.706 20 0 FCADRL CC(C)CN1C[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1=O ZINC001603815220 1287506888 /nfs/dbraw/zinc/50/68/88/1287506888.db2.gz SSIBWKIVAKCVJV-VIFPVBQESA-N -2 0 358.372 0.287 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)NC[C@@H](Cc2ccncc2)C(=O)[O-])cc1=O ZINC001603853518 1287520790 /nfs/dbraw/zinc/52/07/90/1287520790.db2.gz PELNUEWMTYWNMZ-CQSZACIVSA-N -2 0 360.414 0.830 20 0 FCADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl ZINC001582654512 1281846447 /nfs/dbraw/zinc/84/64/47/1281846447.db2.gz JHRNICLDPZPWRY-UHFFFAOYSA-N -2 0 357.117 0.560 20 0 FCADRL C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001590224965 1283352244 /nfs/dbraw/zinc/35/22/44/1283352244.db2.gz BAXDBBIZLXUIRJ-JGVFFNPUSA-N -2 0 357.417 0.802 20 0 FCADRL CCC(=O)c1ccc([O-])c(NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)c1 ZINC001590365548 1283502925 /nfs/dbraw/zinc/50/29/25/1283502925.db2.gz QGWVVAXQCQIOFT-QMMMGPOBSA-N -2 0 356.346 0.956 20 0 FCADRL C[C@@]1(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCCC[C@@H]1C(=O)[O-] ZINC001604592215 1287675667 /nfs/dbraw/zinc/67/56/67/1287675667.db2.gz QUFSQKUHFLJVOB-IAQYHMDHSA-N -2 0 356.400 0.803 20 0 FCADRL CCn1cc(CN(C)Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)cn1 ZINC001590953431 1284002101 /nfs/dbraw/zinc/00/21/01/1284002101.db2.gz QDHURAXFTHGPTF-UHFFFAOYSA-N -2 0 354.378 0.463 20 0 FCADRL C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001591684069 1284827163 /nfs/dbraw/zinc/82/71/63/1284827163.db2.gz NKGCLYFKBZHUCA-QFIPXVFZSA-N -2 0 353.385 0.998 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)s2)c1C(=O)[O-] ZINC001592602360 1285537679 /nfs/dbraw/zinc/53/76/79/1285537679.db2.gz NVHCHDKEBCIRSS-UHFFFAOYSA-N -2 0 355.361 0.161 20 0 FCADRL O=C([O-])CC1(CC(=O)NCCn2cnc(-c3nnn[n-]3)n2)CCCCC1 ZINC001593276288 1286058906 /nfs/dbraw/zinc/05/89/06/1286058906.db2.gz JGPODHNZHRBUCI-UHFFFAOYSA-N -2 0 362.394 0.390 20 0 FCADRL O=C([O-])[C@H](CC1CCC1)NS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001593276793 1286060830 /nfs/dbraw/zinc/06/08/30/1286060830.db2.gz STKOGNUUEQLTEI-QMMMGPOBSA-N -2 0 357.417 0.850 20 0 FCADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-] ZINC001600015181 1286424539 /nfs/dbraw/zinc/42/45/39/1286424539.db2.gz RPTSIUDTIMDMDG-UHFFFAOYSA-N -3 0 365.747 0.507 20 0 FCADRL Cc1c(Cl)c(C(=O)[O-])sc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001600054739 1286432585 /nfs/dbraw/zinc/43/25/85/1286432585.db2.gz ATDNTCYWZPPJLZ-NSHDSACASA-N -2 0 369.804 0.930 20 0 FCADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1 ZINC001600101170 1286440615 /nfs/dbraw/zinc/44/06/15/1286440615.db2.gz INEZRYPIMUPCTI-UHFFFAOYSA-N -3 0 357.319 0.914 20 0 FCADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)nc2n1 ZINC001600107700 1286441689 /nfs/dbraw/zinc/44/16/89/1286441689.db2.gz FNXRPZRZDGVMIZ-SSDOTTSWSA-N -2 0 372.428 0.916 20 0 FCADRL Cc1cc(C)n(-c2ccc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])cn2)n1 ZINC001600177081 1286450245 /nfs/dbraw/zinc/45/02/45/1286450245.db2.gz DNCLFUHCIXZFAN-UHFFFAOYSA-N -2 0 361.358 0.735 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)cc2=O)n1 ZINC001600181363 1286451106 /nfs/dbraw/zinc/45/11/06/1286451106.db2.gz GXZGRZTXBIYTOU-SGTLLEGYSA-N -2 0 371.397 0.899 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC[C@@H](C(=O)[O-])C[C@H]3C)cc2=O)n1 ZINC001600181917 1286451160 /nfs/dbraw/zinc/45/11/60/1286451160.db2.gz QDAQMRPRHXXTLS-VXGBXAGGSA-N -2 0 359.386 0.898 20 0 FCADRL Cc1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])s1 ZINC001600336710 1286479103 /nfs/dbraw/zinc/47/91/03/1286479103.db2.gz PNWIZIZVHGTDAD-BDAKNGLRSA-N -2 0 362.429 0.342 20 0 FCADRL Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1 ZINC001600411648 1286484533 /nfs/dbraw/zinc/48/45/33/1286484533.db2.gz MIBLKERZQGSXCE-DGCLKSJQSA-N -2 0 368.411 0.405 20 0 FCADRL Cc1ccnc(-n2cc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-])cn2)c1 ZINC001600597517 1286511731 /nfs/dbraw/zinc/51/17/31/1286511731.db2.gz KZJWPNIUSSEODL-SNVBAGLBSA-N -2 0 352.372 0.491 20 0 FCADRL Cc1cnn(C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)C(=O)[O-])c1 ZINC001600637039 1286518097 /nfs/dbraw/zinc/51/80/97/1286518097.db2.gz VCVJXVHYQNVKMJ-LBPRGKRZSA-N -2 0 367.383 0.630 20 0 FCADRL Cc1cnn(C)c1C(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001600635583 1286518388 /nfs/dbraw/zinc/51/83/88/1286518388.db2.gz SJCUQHJEHOQDGS-UHFFFAOYSA-N -2 0 355.347 0.613 20 0 FCADRL Cc1cnn(C[C@H](NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C(=O)[O-])c1 ZINC001600636672 1286518714 /nfs/dbraw/zinc/51/87/14/1286518714.db2.gz LGCQHAUAWJZMRX-ZDUSSCGKSA-N -2 0 367.383 0.463 20 0 FCADRL Cc1nc(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)ccc1C(=O)[O-] ZINC001600701697 1286529102 /nfs/dbraw/zinc/52/91/02/1286529102.db2.gz KAJVWVDSGKPBMZ-UHFFFAOYSA-N -2 0 357.388 0.219 20 0 FCADRL Cc1nc(CNS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)sc1C(N)=O ZINC001600701941 1286529390 /nfs/dbraw/zinc/52/93/90/1286529390.db2.gz SDLHJRSWICDCBR-UHFFFAOYSA-N -2 0 373.387 0.866 20 0 FCADRL Cc1nn(C)c2nc(C3CC3)cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c12 ZINC001600777062 1286542102 /nfs/dbraw/zinc/54/21/02/1286542102.db2.gz ZIIPSBRPYQISBU-MRVPVSSYSA-N -2 0 366.399 0.687 20 0 FCADRL Cc1nn(C)c([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1C(=O)[O-] ZINC001600775424 1286542414 /nfs/dbraw/zinc/54/24/14/1286542414.db2.gz YYQOKLQERXFKFX-VIFPVBQESA-N -2 0 355.376 0.385 20 0 FCADRL Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-] ZINC001600823029 1286552491 /nfs/dbraw/zinc/55/24/91/1286552491.db2.gz YKPCHTQWPKPALL-IONNQARKSA-N -2 0 370.387 0.552 20 0 FCADRL Cn1c(C(=O)[O-])ccc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC001600902973 1286566351 /nfs/dbraw/zinc/56/63/51/1286566351.db2.gz AHOLIRZRRNXSCL-UHFFFAOYSA-N -2 0 352.324 0.571 20 0 FCADRL Cn1c(C(=O)[O-])ccc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001600904207 1286566376 /nfs/dbraw/zinc/56/63/76/1286566376.db2.gz UCOCYFXKRQBVGX-UHFFFAOYSA-N -2 0 366.351 0.613 20 0 FCADRL Cn1c(C(F)(F)F)nc2cncc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])c21 ZINC001600908246 1286567039 /nfs/dbraw/zinc/56/70/39/1286567039.db2.gz MWYCORNGTLCAKS-UHFFFAOYSA-N -2 0 366.277 0.131 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])cc2[n-]c1=S ZINC001600920268 1286569386 /nfs/dbraw/zinc/56/93/86/1286569386.db2.gz RHVUHXPAVWACSH-BXKDBHETSA-N -2 0 363.395 0.442 20 0 FCADRL Cn1cc(C(=O)CCC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cn1 ZINC001600927815 1286571980 /nfs/dbraw/zinc/57/19/80/1286571980.db2.gz GGDOVZCRLNPAGI-UHFFFAOYSA-N -2 0 371.396 0.648 20 0 FCADRL Cn1cc(C[C@H](NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])C(=O)[O-])cn1 ZINC001600948446 1286577988 /nfs/dbraw/zinc/57/79/88/1286577988.db2.gz SRTPDIRAAOFCJP-NSHDSACASA-N -2 0 371.346 0.232 20 0 FCADRL Cn1cc(N2CCC[C@H](NS(=O)(=O)c3csnc3C(=O)[O-])C2)cn1 ZINC001600959215 1286580512 /nfs/dbraw/zinc/58/05/12/1286580512.db2.gz UIENVMJKAPHJAC-VIFPVBQESA-N -2 0 371.444 0.522 20 0 FCADRL Cn1cnnc1-c1cncc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC001600969855 1286586001 /nfs/dbraw/zinc/58/60/01/1286586001.db2.gz OCRPJVFOLMLXJG-UHFFFAOYSA-N -2 0 362.371 0.715 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cccc(O[C@@H]3CC(=O)N3)c2)cc1C(=O)[O-] ZINC001600969924 1286586257 /nfs/dbraw/zinc/58/62/57/1286586257.db2.gz UTNQJFYIOIJNIK-CQSZACIVSA-N -2 0 365.367 0.749 20 0 FCADRL Cn1ccnc1SCc1ccc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])o1 ZINC001600986575 1286589741 /nfs/dbraw/zinc/58/97/41/1286589741.db2.gz LQOYPUHCFSWCEY-UHFFFAOYSA-N -2 0 373.412 0.840 20 0 FCADRL Cn1cnnc1-c1ccnc([N-]S(=O)(=O)c2scnc2C(=O)[O-])c1 ZINC001600994756 1286592528 /nfs/dbraw/zinc/59/25/28/1286592528.db2.gz UKRQWMJLDLLCLP-UHFFFAOYSA-N -2 0 366.384 0.833 20 0 FCADRL Cn1nc(Br)cc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001600998843 1286594044 /nfs/dbraw/zinc/59/40/44/1286594044.db2.gz HHKQPLHSGMPLLI-UHFFFAOYSA-N -2 0 364.181 0.265 20 0 FCADRL Cn1nc(C2CC2)nc1CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001601008337 1286595928 /nfs/dbraw/zinc/59/59/28/1286595928.db2.gz LXOBKBJPEYSJAZ-UHFFFAOYSA-N -2 0 364.383 0.438 20 0 FCADRL Cn1nnnc1CCNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001601045482 1286621771 /nfs/dbraw/zinc/62/17/71/1286621771.db2.gz AETGEJKNLMXPTE-UHFFFAOYSA-N -2 0 363.758 0.222 20 0 FCADRL NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC001601162805 1286668556 /nfs/dbraw/zinc/66/85/56/1286668556.db2.gz OBPKXOJPMLFDCG-UHFFFAOYSA-N -2 0 354.365 0.664 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CCC(=O)OCc2ccccc2)on1 ZINC001601279637 1286712422 /nfs/dbraw/zinc/71/24/22/1286712422.db2.gz MWGAQQDHXRFZCI-UHFFFAOYSA-N -2 0 354.340 0.785 20 0 FCADRL O=C([O-])[C@H]1CCCN(CC(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)C1=O ZINC001601313046 1286722381 /nfs/dbraw/zinc/72/23/81/1286722381.db2.gz TWURJLXPSOWCEK-NSHDSACASA-N -2 0 360.326 0.292 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)CN2CCCCC2=O)cc1Cl ZINC001601314423 1286723525 /nfs/dbraw/zinc/72/35/25/1286723525.db2.gz LHJNOORMJPLBJC-UHFFFAOYSA-N -2 0 374.802 0.856 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)Cn2cc(C3CC3)nn2)cc1 ZINC001601383236 1286737287 /nfs/dbraw/zinc/73/72/87/1286737287.db2.gz BPYZPBBEXVVTLO-UHFFFAOYSA-N -2 0 364.383 0.500 20 0 FCADRL O=C([O-])[C@H](C[C@@H]1CCCOC1)NC(=O)c1nc[n-]c(=O)c1Br ZINC001601410393 1286741499 /nfs/dbraw/zinc/74/14/99/1286741499.db2.gz BUNQWCJSVMMTDE-YUMQZZPRSA-N -2 0 374.191 0.944 20 0 FCADRL O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)c1nc[n-]c(=O)c1Br ZINC001601413302 1286742111 /nfs/dbraw/zinc/74/21/11/1286742111.db2.gz WOVLXFZXFTVMQH-BQBZGAKWSA-N -2 0 360.164 0.697 20 0 FCADRL O=C([O-])[C@H](Cc1ccccc1Br)NC(=O)c1n[nH]c(=O)[n-]1 ZINC001601423231 1286743904 /nfs/dbraw/zinc/74/39/04/1286743904.db2.gz TXRHTPGZJLRNCA-QMMMGPOBSA-N -2 0 355.148 0.699 20 0 FCADRL O=C([O-])[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCCC1)[C@H](O)c1ccccc1 ZINC001601678044 1286805675 /nfs/dbraw/zinc/80/56/75/1286805675.db2.gz ZZHUXXSNSIHYNL-CHWSQXEVSA-N -2 0 371.411 0.738 20 0 FCADRL O=C([O-])C1=NO[C@@]2(CCN(CC3=Nc4ccccc4S(=O)(=O)[N-]3)C2)C1 ZINC001601745593 1286819987 /nfs/dbraw/zinc/81/99/87/1286819987.db2.gz VEDHKDGCXWKLPM-HNNXBMFYSA-N -2 0 364.383 0.314 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([C@H]2CCCO2)CCN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001601749989 1286821503 /nfs/dbraw/zinc/82/15/03/1286821503.db2.gz MIXNFKALMKGXPD-UTUOFQBUSA-N -2 0 361.416 0.525 20 0 FCADRL O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001601805934 1286838326 /nfs/dbraw/zinc/83/83/26/1286838326.db2.gz ABRCQJRZWOFCRV-MXWKQRLJSA-N -2 0 358.420 0.663 20 0 FCADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC001601804989 1286838605 /nfs/dbraw/zinc/83/86/05/1286838605.db2.gz VJGLVXBCAKLHKQ-QJPTWQEYSA-N -2 0 371.415 0.540 20 0 FCADRL O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001601853887 1286855530 /nfs/dbraw/zinc/85/55/30/1286855530.db2.gz CSLUSXHUIWIDIM-SECBINFHSA-N -2 0 367.301 0.735 20 0 FCADRL O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)C1 ZINC001601949530 1286882367 /nfs/dbraw/zinc/88/23/67/1286882367.db2.gz IAOCJOPNPRXMBL-NEPJUHHUSA-N -2 0 352.387 0.413 20 0 FCADRL O=C([O-])C[C@H]1CN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CCO1 ZINC001601958398 1286884664 /nfs/dbraw/zinc/88/46/64/1286884664.db2.gz KSMZPBSNNHUDRA-GXTWGEPZSA-N -2 0 361.354 0.408 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC001601999243 1286892660 /nfs/dbraw/zinc/89/26/60/1286892660.db2.gz NFTUXAFDWAKKBQ-NSHDSACASA-N -2 0 358.372 0.174 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cccc(Cn2cncn2)c1 ZINC001601999276 1286893436 /nfs/dbraw/zinc/89/34/36/1286893436.db2.gz PCOKWMDYVRPIQB-UHFFFAOYSA-N -2 0 352.372 0.251 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ncccc1Br ZINC001601999350 1286893781 /nfs/dbraw/zinc/89/37/81/1286893781.db2.gz VSWSOKHTSMVDSK-UHFFFAOYSA-N -2 0 351.178 0.769 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)c1cc(Br)c[nH]c1=O ZINC001602028536 1286908919 /nfs/dbraw/zinc/90/89/19/1286908919.db2.gz TWZVSJKTIXQHPF-UHFFFAOYSA-N -2 0 353.150 0.084 20 0 FCADRL O=C([O-])CC[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)O1 ZINC001602037769 1286909921 /nfs/dbraw/zinc/90/99/21/1286909921.db2.gz RITBFKCOIGVZLR-SDDRHHMPSA-N -2 0 350.375 0.290 20 0 FCADRL O=C([O-])CCc1ccc(O)c(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1 ZINC001602043082 1286911172 /nfs/dbraw/zinc/91/11/72/1286911172.db2.gz LWHQUOKXJUAZMM-UHFFFAOYSA-N -2 0 357.326 0.433 20 0 FCADRL O=C([O-])CNC(=O)CNC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001602070171 1286925627 /nfs/dbraw/zinc/92/56/27/1286925627.db2.gz XCEGTRIKBNBTTJ-UHFFFAOYSA-N -2 0 352.734 0.162 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)CCc1ccccc1Br ZINC001602096833 1286934095 /nfs/dbraw/zinc/93/40/95/1286934095.db2.gz HCYGVELVNZAGAP-UHFFFAOYSA-N -2 0 350.190 0.912 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12 ZINC001602097115 1286934185 /nfs/dbraw/zinc/93/41/85/1286934185.db2.gz LFKQOQAPRHONNK-MVWJERBFSA-N -2 0 374.212 0.865 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)Cc1csc(Cc2ccccc2)n1 ZINC001602096798 1286934342 /nfs/dbraw/zinc/93/43/42/1286934342.db2.gz FJVLBSCRTLTYOI-UHFFFAOYSA-N -2 0 354.409 0.807 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)[O-])s1 ZINC001602131842 1286943736 /nfs/dbraw/zinc/94/37/36/1286943736.db2.gz PSYFOABWQMDGNI-WCBMZHEXSA-N -2 0 363.413 0.533 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N2CCc3onc(C(=O)[O-])c3C2)cc1 ZINC001602131642 1286943809 /nfs/dbraw/zinc/94/38/09/1286943809.db2.gz FEEDKCYKADJLSZ-UHFFFAOYSA-N -2 0 366.351 0.747 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccccc2F)cn1 ZINC001602163307 1286953132 /nfs/dbraw/zinc/95/31/32/1286953132.db2.gz HMDLGRDXAZMJLT-LBPRGKRZSA-N -2 0 357.319 0.211 20 0 FCADRL O=C([O-])[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC001602202763 1286968174 /nfs/dbraw/zinc/96/81/74/1286968174.db2.gz FJEKHNBQFQDKQB-ZQEGFCFDSA-N -2 0 361.244 0.903 20 0 FCADRL O=C([O-])c1cc(F)ccc1S(=O)(=O)N[C@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC001602275879 1286980012 /nfs/dbraw/zinc/98/00/12/1286980012.db2.gz LFWZINIQDQCPED-GZMMTYOYSA-N -2 0 361.347 0.682 20 0 FCADRL O=C([O-])c1cc(F)ccc1S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001602276049 1286980641 /nfs/dbraw/zinc/98/06/41/1286980641.db2.gz PLGYRLFTMDDJBZ-SNVBAGLBSA-N -2 0 357.319 0.221 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CC(=O)N2CCc3ccccc32)on1 ZINC001602294139 1286985143 /nfs/dbraw/zinc/98/51/43/1286985143.db2.gz QCMKMACYVHFVIJ-UHFFFAOYSA-N -2 0 351.340 0.240 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CCN2CCc3sccc3C2)on1 ZINC001602296176 1286987331 /nfs/dbraw/zinc/98/73/31/1286987331.db2.gz ULENSACZCIJJSU-UHFFFAOYSA-N -2 0 357.413 0.771 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)[O-])cc1 ZINC001602354663 1286990090 /nfs/dbraw/zinc/99/00/90/1286990090.db2.gz AKSSYALLACQEEG-AAEUAGOBSA-N -2 0 357.384 0.684 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CC3(CCOCC3)[C@@H]2C(=O)[O-])c(F)c1 ZINC001602392850 1286993574 /nfs/dbraw/zinc/99/35/74/1286993574.db2.gz HMHWXTHKWHFPJJ-LBPRGKRZSA-N -2 0 373.358 0.778 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cn1 ZINC001602393629 1286993755 /nfs/dbraw/zinc/99/37/55/1286993755.db2.gz XCDALSCEMDFHEA-NSHDSACASA-N -2 0 368.289 0.808 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@]3(CCOC3)C2)cc1 ZINC001602393933 1286993830 /nfs/dbraw/zinc/99/38/30/1286993830.db2.gz FHJCBEXWGVOHDB-SWLSCSKDSA-N -2 0 355.368 0.497 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CCSC[C@@H](C(=O)[O-])C2)cc1F ZINC001602396309 1286994470 /nfs/dbraw/zinc/99/44/70/1286994470.db2.gz KRBAOYBNNOXBFM-QMMMGPOBSA-N -2 0 363.388 0.962 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)cn1 ZINC001602395000 1286995059 /nfs/dbraw/zinc/99/50/59/1286995059.db2.gz HYQXDONZKCHBPS-UHFFFAOYSA-N -2 0 353.360 0.172 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)cc1Cl ZINC001602397703 1286996093 /nfs/dbraw/zinc/99/60/93/1286996093.db2.gz IRCIMXBARBIZBL-UHFFFAOYSA-N -2 0 363.775 0.950 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccccc2)s1 ZINC001602396650 1286996615 /nfs/dbraw/zinc/99/66/15/1286996615.db2.gz XDEGARRGJFITCK-NWDGAFQWSA-N -2 0 371.392 0.911 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1C(F)(F)F ZINC001602401356 1286997404 /nfs/dbraw/zinc/99/74/04/1286997404.db2.gz INZBFFGNHYRGPF-QMMMGPOBSA-N -2 0 357.262 0.127 20 0 FCADRL O=C([O-])c1ccc2c(c1)OCCN(C(=O)CCCn1c(=O)[n-][nH]c1=O)C2 ZINC001602424898 1287000621 /nfs/dbraw/zinc/00/06/21/1287000621.db2.gz ANPHBSHIUJIDTL-UHFFFAOYSA-N -2 0 362.342 0.589 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]N2CCCC2=O)c1Br ZINC001602453725 1287003514 /nfs/dbraw/zinc/00/35/14/1287003514.db2.gz UIKPPCXPEMCRPO-UHFFFAOYSA-N -2 0 363.189 0.963 20 0 FCADRL O=C([O-])c1cccc2c1OCCN(C(=O)CSc1n[nH]c(=O)[n-]1)C2 ZINC001602460357 1287004626 /nfs/dbraw/zinc/00/46/26/1287004626.db2.gz FMIYKAJXEZJANW-UHFFFAOYSA-N -2 0 350.356 0.722 20 0 FCADRL O=C([O-])c1ccnc(C(=O)[N-]S(=O)(=O)c2cnn(CC3CC3)c2)c1 ZINC001602482211 1287008465 /nfs/dbraw/zinc/00/84/65/1287008465.db2.gz RRWYGCWZGFXHCA-UHFFFAOYSA-N -2 0 350.356 0.505 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)NC[C@@H](Cc2cccnc2)C(=O)[O-])c1 ZINC001602557139 1287025237 /nfs/dbraw/zinc/02/52/37/1287025237.db2.gz QWIABCFVQCXLRI-SNVBAGLBSA-N -2 0 354.340 0.595 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)CC2)cc1Cl ZINC001602637765 1287044015 /nfs/dbraw/zinc/04/40/15/1287044015.db2.gz HAYMZMVURBHEHK-MRVPVSSYSA-N -2 0 374.802 0.759 20 0 FCADRL C/C(=C/c1ccncc1)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001602987640 1287174501 /nfs/dbraw/zinc/17/45/01/1287174501.db2.gz UJWIFLKKQQCINY-KHPPLWFESA-N -2 0 353.400 0.643 20 0 FCADRL CC(=O)N1Cc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])nn3)cc2C1 ZINC001603032236 1287193800 /nfs/dbraw/zinc/19/38/00/1287193800.db2.gz YSNKOATYMINTHD-UHFFFAOYSA-N -2 0 362.367 0.838 20 0 FCADRL CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1OC ZINC001604884559 1287806422 /nfs/dbraw/zinc/80/64/22/1287806422.db2.gz VLKGPFQZFJBTGO-MRVPVSSYSA-N -2 0 361.372 0.886 20 0 FCADRL COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001604945916 1287818259 /nfs/dbraw/zinc/81/82/59/1287818259.db2.gz AVSIBJLAYLYBRV-UHFFFAOYSA-N -2 0 363.355 0.976 20 0 FCADRL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)C(=O)NCc1cccs1 ZINC001605104144 1287881825 /nfs/dbraw/zinc/88/18/25/1287881825.db2.gz XEYYMOSMGLYUSE-VIFPVBQESA-N -2 0 373.412 0.808 20 0 FCADRL COCCn1nc(C)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)c1C ZINC001605125585 1287891269 /nfs/dbraw/zinc/89/12/69/1287891269.db2.gz QRRZFOCGDXTUNM-UHFFFAOYSA-N -2 0 367.391 0.720 20 0 FCADRL CCCCN(CCCC)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001605277279 1287919348 /nfs/dbraw/zinc/91/93/48/1287919348.db2.gz WEDVXTXCPMFPHU-NWDGAFQWSA-N -2 0 350.437 0.882 20 0 FCADRL CCOC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)n1 ZINC001605543378 1287993483 /nfs/dbraw/zinc/99/34/83/1287993483.db2.gz IPUSKYFDKUTQRA-UHFFFAOYSA-N -2 0 357.344 0.847 20 0 FCADRL CCOc1ccccc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001605714336 1288058424 /nfs/dbraw/zinc/05/84/24/1288058424.db2.gz JWRBUTCZLGOZHL-UHFFFAOYSA-N -2 0 356.400 0.857 20 0 FCADRL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)n1 ZINC001605889537 1288101294 /nfs/dbraw/zinc/10/12/94/1288101294.db2.gz QZRRHCLIEZANNQ-UHFFFAOYSA-N -2 0 357.344 0.861 20 0 FCADRL CCn1nccc1S(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1C(=O)[O-] ZINC001605945995 1288108068 /nfs/dbraw/zinc/10/80/68/1288108068.db2.gz ODNKBJQLHPETPW-UHFFFAOYSA-N -2 0 373.412 0.806 20 0 FCADRL COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC001606325802 1288262298 /nfs/dbraw/zinc/26/22/98/1288262298.db2.gz POZXHJPTCFPQPD-ZETCQYMHSA-N -2 0 371.289 0.706 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nn[nH]n2)cc1C(=O)[O-] ZINC001609479735 1289173320 /nfs/dbraw/zinc/17/33/20/1289173320.db2.gz KSNKUYRJVZXIFI-UHFFFAOYSA-N -2 0 366.334 0.843 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC001606579858 1288393512 /nfs/dbraw/zinc/39/35/12/1288393512.db2.gz SFNSBKMRKQNWFQ-YUMQZZPRSA-N -2 0 359.356 0.559 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001606583506 1288395969 /nfs/dbraw/zinc/39/59/69/1288395969.db2.gz PIDDYZMTYAYRPV-VIFPVBQESA-N -2 0 357.340 0.267 20 0 FCADRL COC(=O)c1coc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001606631017 1288416028 /nfs/dbraw/zinc/41/60/28/1288416028.db2.gz NPCYGRYJDPXSPA-DTWKUNHWSA-N -2 0 359.356 0.762 20 0 FCADRL COCC[C@@H](NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)C(=O)[O-] ZINC001606859354 1288541423 /nfs/dbraw/zinc/54/14/23/1288541423.db2.gz YEQYIUCYCCWORV-GFCCVEGCSA-N -2 0 365.411 0.681 20 0 FCADRL COCCOc1cc(C(=O)[O-])ccc1NC(=O)c1c[n-]n2c1nccc2=O ZINC001606912122 1288560439 /nfs/dbraw/zinc/56/04/39/1288560439.db2.gz UGFVGALUIKSKSF-UHFFFAOYSA-N -2 0 372.337 0.998 20 0 FCADRL COCCn1cc(S(=O)(=O)[N-]c2cnn(C(C)(C)C(=O)[O-])c2)cn1 ZINC001606931410 1288568342 /nfs/dbraw/zinc/56/83/42/1288568342.db2.gz IEVPJHXCKZHYTP-UHFFFAOYSA-N -2 0 357.392 0.347 20 0 FCADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC001606942973 1288571054 /nfs/dbraw/zinc/57/10/54/1288571054.db2.gz XISMVLNYONCXGP-GFCCVEGCSA-N -2 0 359.356 0.005 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccsc1-c1nnn[n-]1)C(F)F ZINC001606959563 1288575463 /nfs/dbraw/zinc/57/54/63/1288575463.db2.gz ASJXYUOGQAFGBB-RXMQYKEDSA-N -2 0 367.359 0.563 20 0 FCADRL COc1c(S(=O)(=O)[N-]C(=O)Cc2cccc(C(=O)[O-])c2)c(C)nn1C ZINC001607050521 1288618758 /nfs/dbraw/zinc/61/87/58/1288618758.db2.gz OUYZXZBUDXZHOU-UHFFFAOYSA-N -2 0 367.383 0.483 20 0 FCADRL COc1cc(CN(CC(=O)[O-])[C@H]2CCN(CC(=O)[O-])C2=O)cc(OC)c1 ZINC001607159135 1288674834 /nfs/dbraw/zinc/67/48/34/1288674834.db2.gz VJOVCCLZXACGPM-AWEZNQCLSA-N -2 0 366.370 0.276 20 0 FCADRL COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)c1n[nH]c(=O)[n-]1)CC2 ZINC001607193191 1288683160 /nfs/dbraw/zinc/68/31/60/1288683160.db2.gz HURBNZMHEQNDNO-SNVBAGLBSA-N -2 0 362.342 0.742 20 0 FCADRL COc1cc2nc(C(=O)[N-]OCCCC(=O)[O-])c(=O)n(C)c2cc1OC ZINC001607195644 1288683305 /nfs/dbraw/zinc/68/33/05/1288683305.db2.gz ULXMCNWJULXUMZ-UHFFFAOYSA-N -2 0 365.342 0.477 20 0 FCADRL COc1ccc(C(=O)COC(=O)c2cnc(C(=O)[O-])cn2)c2occ([O-])c21 ZINC001607202665 1288684034 /nfs/dbraw/zinc/68/40/34/1288684034.db2.gz ATDKGJRMHZRTOG-UHFFFAOYSA-N -2 0 372.289 0.798 20 0 FCADRL C[C@H]([N-]S(=O)(=O)c1occc1Br)C(=O)N[C@@H](C)C(=O)[O-] ZINC001607460499 1288713494 /nfs/dbraw/zinc/71/34/94/1288713494.db2.gz KHXUAFAJEXQRMO-WDSKDSINSA-N -2 0 369.193 0.298 20 0 FCADRL Cc1cnccc1/C=C/C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001607913226 1288746848 /nfs/dbraw/zinc/74/68/48/1288746848.db2.gz WFEJDEOMCXYFRA-NSCUHMNNSA-N -2 0 353.400 0.561 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]([C@@H]2CCOC2)C(F)(F)F)c1C(=O)[O-] ZINC001607939645 1288749482 /nfs/dbraw/zinc/74/94/82/1288749482.db2.gz DRAIOJAPFYAKDU-SVRRBLITSA-N -2 0 357.310 0.662 20 0 FCADRL Cc1nc(CN([C@H](C)C(=O)[O-])S(=O)(=O)CCCC(=O)[O-])cs1 ZINC001607957604 1288751434 /nfs/dbraw/zinc/75/14/34/1288751434.db2.gz YVJCTWVOAPYBGG-MRVPVSSYSA-N -2 0 350.418 0.921 20 0 FCADRL Cn1cc([C@H](NS(=O)(=O)CC2(C(=O)[O-])CCCCC2)C(=O)[O-])cn1 ZINC001608105599 1288768908 /nfs/dbraw/zinc/76/89/08/1288768908.db2.gz GQNIGWPFDLNGQM-NSHDSACASA-N -2 0 359.404 0.500 20 0 FCADRL Cn1ccnc1[C@H]([N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)C(F)(F)F ZINC001608130931 1288776772 /nfs/dbraw/zinc/77/67/72/1288776772.db2.gz CLPRLLFLQYNZQV-VIFPVBQESA-N -2 0 370.353 0.655 20 0 FCADRL Cn1nc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])cc1C1CC1 ZINC001608140965 1288779977 /nfs/dbraw/zinc/77/99/77/1288779977.db2.gz KMKIAWMMDVTPMX-UHFFFAOYSA-N -2 0 356.385 0.571 20 0 FCADRL Cn1nc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])nn1 ZINC001608145874 1288780667 /nfs/dbraw/zinc/78/06/67/1288780667.db2.gz XJDIKUFLDNRHNV-UHFFFAOYSA-N -2 0 351.266 0.728 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCS(=O)(=O)C2)s1 ZINC001608296583 1288814332 /nfs/dbraw/zinc/81/43/32/1288814332.db2.gz IVOZZGUCOCJFAW-ZETCQYMHSA-N -2 0 367.426 0.076 20 0 FCADRL O=C([O-])[C@H]1CCCN(CC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)C1=O ZINC001608334220 1288822798 /nfs/dbraw/zinc/82/27/98/1288822798.db2.gz YRODKZXTFAKSOO-NSHDSACASA-N -2 0 360.326 0.292 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)COCc2ccncc2)c1 ZINC001608348287 1288827269 /nfs/dbraw/zinc/82/72/69/1288827269.db2.gz KCUUIKXNNQXGQN-UHFFFAOYSA-N -2 0 364.379 0.943 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)COCc1cccnc1 ZINC001608348474 1288827713 /nfs/dbraw/zinc/82/77/13/1288827713.db2.gz RFVWIUKMEOBTBZ-UHFFFAOYSA-N -2 0 357.369 0.258 20 0 FCADRL O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001608357340 1288829996 /nfs/dbraw/zinc/82/99/96/1288829996.db2.gz ZLPNVPLNLOTJLK-LPATWVRLSA-N -2 0 358.445 0.848 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]C(=O)Cc2cn3c(n2)CCCC3)c1 ZINC001608368959 1288830379 /nfs/dbraw/zinc/83/03/79/1288830379.db2.gz ITBBGEMGBQLNBD-UHFFFAOYSA-N -2 0 353.356 0.558 20 0 FCADRL O=C([O-])c1cccc(C(=O)COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1 ZINC001608372915 1288832296 /nfs/dbraw/zinc/83/22/96/1288832296.db2.gz AFSGLBUCSFICMN-UHFFFAOYSA-N -2 0 356.294 0.196 20 0 FCADRL O=C([O-])c1cccc2c1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)C2 ZINC001608420621 1288840870 /nfs/dbraw/zinc/84/08/70/1288840870.db2.gz UMVAJPABIGEQJI-HNNXBMFYSA-N -2 0 374.393 0.887 20 0 FCADRL O=C([O-])[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001608532173 1288854380 /nfs/dbraw/zinc/85/43/80/1288854380.db2.gz FZYIKUZLJULMQB-NWDGAFQWSA-N -2 0 363.432 0.821 20 0 FCADRL O=C([O-])[C@H](C[C@@H]1CCOC1)NS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001608532175 1288854846 /nfs/dbraw/zinc/85/48/46/1288854846.db2.gz FZYIKUZLJULMQB-RYUDHWBXSA-N -2 0 363.432 0.821 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)Cc1ccccc1O[C@@H]1CCOC1 ZINC001608733076 1288872029 /nfs/dbraw/zinc/87/20/29/1288872029.db2.gz ZYCAZYZUHRNYGU-GFCCVEGCSA-N -2 0 357.384 0.318 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@]2(CO)C[C@H]2c2ccccc2)on1 ZINC001608861048 1288877283 /nfs/dbraw/zinc/87/72/83/1288877283.db2.gz MZQNZZFOYTXJHE-NHYWBVRUSA-N -2 0 352.368 0.817 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCC3(CCOCC3)[C@H]2O)on1 ZINC001608860928 1288877960 /nfs/dbraw/zinc/87/79/60/1288877960.db2.gz HELHRHKBWJWXOV-SKDRFNHKSA-N -2 0 360.388 0.219 20 0 FCADRL O=C([O-])C(F)=C(NCc1ccc(F)cc1)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001609044023 1288887046 /nfs/dbraw/zinc/88/70/46/1288887046.db2.gz JAQCPVVYZNLBPA-VIFPVBQESA-N -2 0 355.322 0.123 20 0 FCADRL C[C@](O)(CC(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CC1 ZINC001609127766 1288936077 /nfs/dbraw/zinc/93/60/77/1288936077.db2.gz VSDZDQDCNQGSOR-HNNXBMFYSA-N -2 0 359.346 0.209 20 0 FCADRL CCOCC1(C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CC1 ZINC001609240255 1289012327 /nfs/dbraw/zinc/01/23/27/1289012327.db2.gz SRNHSZWCPNDULQ-UHFFFAOYSA-N -2 0 359.346 0.475 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C2OCCO2)c1 ZINC001609638941 1289270662 /nfs/dbraw/zinc/27/06/62/1289270662.db2.gz OLRJWOUFEVMZSX-ZJUUUORDSA-N -2 0 357.384 0.901 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCc1cnn(-c2ccccc2)c1 ZINC001609642020 1289271298 /nfs/dbraw/zinc/27/12/98/1289271298.db2.gz AIEQSMVPDROKIM-NSHDSACASA-N -2 0 351.384 0.724 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(-c2cncnc2)cc1F ZINC001609642294 1289271460 /nfs/dbraw/zinc/27/14/60/1289271460.db2.gz LTSNOJLAXRTQQC-QMMMGPOBSA-N -2 0 353.331 0.815 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1csc(Nc2ccccn2)n1 ZINC001609642729 1289271743 /nfs/dbraw/zinc/27/17/43/1289271743.db2.gz BUWPRUZEPOAKSL-ZETCQYMHSA-N -2 0 356.385 0.814 20 0 FCADRL CC(C)(C)c1nnc2ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cn21 ZINC001609672229 1289278271 /nfs/dbraw/zinc/27/82/71/1289278271.db2.gz UTIUDKJYVVCDIB-UHFFFAOYSA-N -2 0 368.415 0.951 20 0 FCADRL C[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001609734963 1289287757 /nfs/dbraw/zinc/28/77/57/1289287757.db2.gz GPTWWZHCXKJDQF-BYPYZUCNSA-N -2 0 356.150 0.882 20 0 FCADRL C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001609734749 1289287906 /nfs/dbraw/zinc/28/79/06/1289287906.db2.gz MOVURQUWNHJYFK-SSDOTTSWSA-N -2 0 366.779 0.279 20 0 FCADRL C[C@H](CSCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC001609750404 1289290302 /nfs/dbraw/zinc/29/03/02/1289290302.db2.gz WYUMZZMSZGMFFA-SECBINFHSA-N -2 0 354.450 0.071 20 0 FCADRL C[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001609838272 1289309298 /nfs/dbraw/zinc/30/92/98/1289309298.db2.gz XJMVNBQJMLLKBV-UWVGGRQHSA-N -2 0 364.420 0.553 20 0 FCADRL C[C@H]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C[C@H]1C(=O)[O-] ZINC001609857935 1289312838 /nfs/dbraw/zinc/31/28/38/1289312838.db2.gz XLQFQIJSJXEFSG-JOYOIKCWSA-N -2 0 366.345 0.961 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC001609873870 1289322179 /nfs/dbraw/zinc/32/21/79/1289322179.db2.gz GCPQQKIQUFKDKF-DNSOKLHBSA-N -2 0 361.347 0.775 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)[C@H](C(=O)[O-])[C@@H](C)O1 ZINC001609873672 1289322373 /nfs/dbraw/zinc/32/23/73/1289322373.db2.gz OSAZHOXQSLGXLT-RULNRJAQSA-N -2 0 357.384 0.565 20 0 FCADRL CCC(CC)(CNC(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)C(=O)[O-] ZINC001609913273 1289327142 /nfs/dbraw/zinc/32/71/42/1289327142.db2.gz OHBCKVVFRPCBFR-LLVKDONJSA-N -2 0 354.403 0.707 20 0 FCADRL CC[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC)C(=O)[O-] ZINC001609921233 1289328660 /nfs/dbraw/zinc/32/86/60/1289328660.db2.gz TYSFADUWUAMKDA-ZCFIWIBFSA-N -2 0 365.385 0.622 20 0 FCADRL CC[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001609952195 1289333590 /nfs/dbraw/zinc/33/35/90/1289333590.db2.gz WDXWFJTVVUKXHA-VHSXEESVSA-N -2 0 364.420 0.553 20 0 FCADRL CC[C@@H](NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C(=O)[O-] ZINC001610050468 1289359103 /nfs/dbraw/zinc/35/91/03/1289359103.db2.gz LOZPLPUTRDPRFK-SECBINFHSA-N -2 0 358.734 0.721 20 0 FCADRL CCc1c(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cnn1-c1ccccc1 ZINC001610055049 1289359346 /nfs/dbraw/zinc/35/93/46/1289359346.db2.gz SSDJUUBEDNTTEV-UHFFFAOYSA-N -2 0 351.384 0.969 20 0 FCADRL CCc1ccccc1N1C[C@@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])CC1=O ZINC001610069853 1289362914 /nfs/dbraw/zinc/36/29/14/1289362914.db2.gz FCARPKWRSZXPAW-LBPRGKRZSA-N -2 0 368.411 0.523 20 0 FCADRL CN([C@H](CC(C)(C)C)C(=O)[O-])S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001610093533 1289368252 /nfs/dbraw/zinc/36/82/52/1289368252.db2.gz NBXFCJVSDUMNQG-LLVKDONJSA-N -2 0 350.437 0.849 20 0 FCADRL CN1C(=O)C[C@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])[C@@H]1c1cccc(Cl)c1 ZINC001610127395 1289383608 /nfs/dbraw/zinc/38/36/08/1289383608.db2.gz LQZZNZNVPAAHQJ-GWCFXTLKSA-N -2 0 374.802 0.390 20 0 FCADRL CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001610141208 1289393727 /nfs/dbraw/zinc/39/37/27/1289393727.db2.gz IUJULHKLXOTBQR-UHFFFAOYSA-N -2 0 352.372 0.885 20 0 FCADRL COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC001610258948 1289441120 /nfs/dbraw/zinc/44/11/20/1289441120.db2.gz WMTSQRRSBCBXMW-VIFPVBQESA-N -2 0 363.363 0.943 20 0 FCADRL COCCO[N-]C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001610262352 1289442161 /nfs/dbraw/zinc/44/21/61/1289442161.db2.gz QUIITIOICKLVKO-UHFFFAOYSA-N -2 0 351.359 0.618 20 0 FCADRL COCCOc1ccc(CC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC001610262828 1289443040 /nfs/dbraw/zinc/44/30/40/1289443040.db2.gz PJLBJGKXEXHEQA-VXGBXAGGSA-N -2 0 373.427 0.810 20 0 FCADRL COCc1nc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])cs1 ZINC001610273957 1289447118 /nfs/dbraw/zinc/44/71/18/1289447118.db2.gz RPNAVGYOXJOIHY-UHFFFAOYSA-N -2 0 363.398 0.563 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)/C=C\[C@@H]2CCCO2)c(CC(=O)[O-])c1 ZINC001610346227 1289466484 /nfs/dbraw/zinc/46/64/84/1289466484.db2.gz ONKBDVQSKMNNBM-HWPRWLFBSA-N -2 0 369.395 0.862 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CO[C@@H](C)C2)c(CC(=O)[O-])c1 ZINC001610346522 1289466682 /nfs/dbraw/zinc/46/66/82/1289466682.db2.gz VTWLZQBCAHXFRG-ONGXEEELSA-N -2 0 357.384 0.552 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC001610359549 1289469552 /nfs/dbraw/zinc/46/95/52/1289469552.db2.gz CWTXEMWXCMWVFD-ZJWNCGCPSA-N -2 0 368.455 0.810 20 0 FCADRL COc1ccccc1[C@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)C(=O)[O-] ZINC001610363235 1289470144 /nfs/dbraw/zinc/47/01/44/1289470144.db2.gz KGMVJGUHECZECW-ZDUSSCGKSA-N -2 0 357.384 0.995 20 0 FCADRL COc1ccccc1[C@@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)C(=O)[O-] ZINC001610363233 1289470312 /nfs/dbraw/zinc/47/03/12/1289470312.db2.gz KGMVJGUHECZECW-CYBMUJFWSA-N -2 0 357.384 0.995 20 0 FCADRL Cc1cc(C)n(-c2ccc(CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc2)n1 ZINC001610458349 1289489418 /nfs/dbraw/zinc/48/94/18/1289489418.db2.gz AGIXZOTYHAGNHK-GFCCVEGCSA-N -2 0 365.411 0.951 20 0 FCADRL Cc1ccc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])cc1NS(C)(=O)=O ZINC001610504349 1289497282 /nfs/dbraw/zinc/49/72/82/1289497282.db2.gz FFQCCTYMEFMNML-UHFFFAOYSA-N -2 0 373.387 0.218 20 0 FCADRL Cc1cccc(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)c1C(=O)[O-] ZINC001610525386 1289501394 /nfs/dbraw/zinc/50/13/94/1289501394.db2.gz VYCLQWYAYUBDBC-MFKMUULPSA-N -2 0 357.384 0.539 20 0 FCADRL Cc1nc(CCCNS(=O)(=O)N(C)CCC(=O)[O-])sc1C(=O)[O-] ZINC001610554727 1289508105 /nfs/dbraw/zinc/50/81/05/1289508105.db2.gz RILIKZBBXVMRDX-UHFFFAOYSA-N -2 0 365.433 0.323 20 0 FCADRL Cc1nc(CNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)sc1C(=O)[O-] ZINC001610555890 1289509582 /nfs/dbraw/zinc/50/95/82/1289509582.db2.gz LOCMZEKUBMTHEL-UHFFFAOYSA-N -2 0 359.385 0.665 20 0 FCADRL Cc1oc(CN(C)C(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001610579783 1289517102 /nfs/dbraw/zinc/51/71/02/1289517102.db2.gz LYORMKOPMSIMQF-ONGXEEELSA-N -2 0 366.370 0.814 20 0 FCADRL Cc1oc(S(=O)(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)cc1C(=O)[O-] ZINC001610586896 1289517816 /nfs/dbraw/zinc/51/78/16/1289517816.db2.gz BSKJWZMINWTIGY-UHFFFAOYSA-N -2 0 372.355 0.670 20 0 FCADRL Cn1ncc2cc(S(=O)(=O)[N-]C(=O)c3ccc(C(=O)[O-])s3)cnc21 ZINC001610615041 1289530275 /nfs/dbraw/zinc/53/02/75/1289530275.db2.gz ISMBEOIUKJBTLH-UHFFFAOYSA-N -2 0 366.380 0.847 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)CCOC[C@H]2CCCO2)c1 ZINC001610658041 1289543595 /nfs/dbraw/zinc/54/35/95/1289543595.db2.gz MCAGYWYDZMTHRQ-GFCCVEGCSA-N -2 0 357.384 0.775 20 0 FCADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)cc1F ZINC001610701182 1289560631 /nfs/dbraw/zinc/56/06/31/1289560631.db2.gz BOFCETNDVOOBNE-UHFFFAOYSA-N -2 0 353.331 0.785 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3ccccc3O2)CC1 ZINC001610744897 1289575939 /nfs/dbraw/zinc/57/59/39/1289575939.db2.gz FPMDQPIXJXPLFC-AWEZNQCLSA-N -2 0 368.411 0.538 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccsc1C(=O)[O-])C1CCOCC1 ZINC001610754510 1289578666 /nfs/dbraw/zinc/57/86/66/1289578666.db2.gz TYXQPTAIVIUXPT-VIFPVBQESA-N -2 0 363.413 0.995 20 0 FCADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2cnn(CCO)c2)cc1 ZINC001610776046 1289587541 /nfs/dbraw/zinc/58/75/41/1289587541.db2.gz KKSQFBDVLQWJNJ-UHFFFAOYSA-N -2 0 355.372 0.530 20 0 FCADRL O=C([O-])COc1ccc(S(=O)(=O)N[C@H](CC2CC2)C(=O)[O-])cc1F ZINC001610788124 1289593081 /nfs/dbraw/zinc/59/30/81/1289593081.db2.gz HGXXTXGRRDDQKZ-LLVKDONJSA-N -2 0 361.347 0.821 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)cn1 ZINC001610801154 1289596873 /nfs/dbraw/zinc/59/68/73/1289596873.db2.gz LXTLKDDDFJRPSW-UHFFFAOYSA-N -2 0 355.372 0.530 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c(Cl)cc1Cl ZINC001610816789 1289600607 /nfs/dbraw/zinc/60/06/07/1289600607.db2.gz FZOLDEIRGUWITR-ZETCQYMHSA-N -2 0 358.155 0.415 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@@]23CCC(=O)N2CCS3)c1 ZINC001610849750 1289606571 /nfs/dbraw/zinc/60/65/71/1289606571.db2.gz IMDXVNRHUUKAFS-AWEZNQCLSA-N -2 0 370.408 0.255 20 0 FCADRL O=C([O-])c1cncc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC001610862153 1289610897 /nfs/dbraw/zinc/61/08/97/1289610897.db2.gz PTCFFOAJCAVISM-UHFFFAOYSA-N -2 0 350.308 0.627 20 0 FCADRL O=C(c1ncc(Br)cc1[O-])N1CCO[C@H](c2nnn[n-]2)C1 ZINC001627165691 1290443462 /nfs/dbraw/zinc/44/34/62/1290443462.db2.gz NBECZYUUYNIITR-QMMMGPOBSA-N -2 0 355.152 0.277 20 0 FCADRL CCOC(=O)c1n[nH]cc1NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148915255 849621113 /nfs/dbraw/zinc/62/11/13/849621113.db2.gz NRDRSGSKWRZZCA-UHFFFAOYSA-N -2 0 355.328 0.791 20 0 FCADRL Nc1ccc(OCCO)c(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c1 ZINC001148926611 849622127 /nfs/dbraw/zinc/62/21/27/849622127.db2.gz RCLXIDYJDKWXPU-UHFFFAOYSA-N -2 0 368.367 0.845 20 0 FCADRL CS(=O)(=O)c1ccc(C(=O)NCCOP(=O)([O-])[O-])c(Cl)c1 ZINC001149023407 849626808 /nfs/dbraw/zinc/62/68/08/849626808.db2.gz SBLBKFLDJXUGJJ-UHFFFAOYSA-N -2 0 357.708 0.583 20 0 FCADRL CCn1cc(C(=O)NCCOP(=O)([O-])[O-])c(=O)c2ccc(C)nc21 ZINC001149699154 849644481 /nfs/dbraw/zinc/64/44/81/849644481.db2.gz FAUGNOQMRHSZML-UHFFFAOYSA-N -2 0 355.287 0.564 20 0 FCADRL Cn1[n-]c(C(=O)N[C@@H](c2nnn[n-]2)c2ccc(Cl)c(F)c2)cc1=O ZINC001153820560 849758088 /nfs/dbraw/zinc/75/80/88/849758088.db2.gz OTYRTNSYMBHEPA-LLVKDONJSA-N -2 0 351.729 0.951 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1nn2ccccc2c1Br ZINC001155372916 849848771 /nfs/dbraw/zinc/84/87/71/849848771.db2.gz SIVMJPLBGNALGN-UHFFFAOYSA-N -2 0 364.092 0.936 20 0 FCADRL COC(=O)c1cc(NCCOP(=O)([O-])[O-])c(NC(C)=O)cc1OC ZINC001168590930 850590222 /nfs/dbraw/zinc/59/02/22/850590222.db2.gz CMYYWASCIUMCDM-UHFFFAOYSA-N -2 0 362.275 0.961 20 0 FCADRL O=P([O-])([O-])OCCNc1ncnc2cc(N3CCOCC3)ccc21 ZINC001168589310 850590913 /nfs/dbraw/zinc/59/09/13/850590913.db2.gz GEXUQKPHXYTUTM-UHFFFAOYSA-N -2 0 354.303 0.988 20 0 FCADRL COC(=O)[C@@H](Cc1cccnc1)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180180611 851017781 /nfs/dbraw/zinc/01/77/81/851017781.db2.gz SNDLBRLWMOUEAR-MRVPVSSYSA-N -2 0 352.240 0.637 20 0 FCADRL CCOC(=O)c1sc(S(=O)(=O)[N-]CC[P@@](=O)([O-])O)nc1C ZINC001184977443 851331687 /nfs/dbraw/zinc/33/16/87/851331687.db2.gz FIBQUXAZBDPYOK-UHFFFAOYSA-N -2 0 358.334 0.084 20 0 FCADRL O=C1[N-]S(=O)(=O)c2cc([N-]S(=O)(=O)c3cnc(Cl)nc3)ccc21 ZINC001185047345 851336459 /nfs/dbraw/zinc/33/64/59/851336459.db2.gz CIRMYVPNYIFQLS-UHFFFAOYSA-N -2 0 374.787 0.363 20 0 FCADRL CCOC(=O)c1nonc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185270968 851348322 /nfs/dbraw/zinc/34/83/22/851348322.db2.gz IOYMVFSUYCBJPY-UHFFFAOYSA-N -2 0 371.327 0.754 20 0 FCADRL COC(=O)c1nsnc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185275637 851349076 /nfs/dbraw/zinc/34/90/76/851349076.db2.gz MMXTVQIULOVAJB-UHFFFAOYSA-N -2 0 373.368 0.832 20 0 FCADRL O=C1[N-]S(=O)(=O)c2cc([N-]S(=O)(=O)c3ccc(Cl)nc3)ccc21 ZINC001185686764 851382741 /nfs/dbraw/zinc/38/27/41/851382741.db2.gz BHKJQHCZDYZCQG-UHFFFAOYSA-N -2 0 373.799 0.968 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)NCCCC[P@](=O)([O-])O)ccc1F ZINC001186207888 851418923 /nfs/dbraw/zinc/41/89/23/851418923.db2.gz ACLTVTFUNNKZQQ-UHFFFAOYSA-N -2 0 355.280 0.760 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(C(N)=O)nn1C ZINC001188280079 851665788 /nfs/dbraw/zinc/66/57/88/851665788.db2.gz ZJMBHBFGQIHIPI-UHFFFAOYSA-N -2 0 372.790 0.980 20 0 FCADRL COC(=O)CCS(=O)(=O)NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001188402102 851685073 /nfs/dbraw/zinc/68/50/73/851685073.db2.gz DCJDWIXQDWTBKH-UHFFFAOYSA-N -2 0 363.328 0.142 20 0 FCADRL N=C(NC(=O)c1ccccc1S(=O)(=O)[O-])SCCS(=O)(=O)[O-] ZINC001189698924 851817370 /nfs/dbraw/zinc/81/73/70/851817370.db2.gz NIVPTMPYPSBGQB-UHFFFAOYSA-N -2 0 368.414 0.219 20 0 FCADRL CN(CCC1OCCO1)C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189924095 851844552 /nfs/dbraw/zinc/84/45/52/851844552.db2.gz JVHMYMXVWAEOOP-UHFFFAOYSA-N -2 0 359.356 0.467 20 0 FCADRL O=C([O-])c1cc(C(=O)NC2(c3cccnn3)CC2)cc(S(=O)(=O)[O-])c1 ZINC001189933931 851845479 /nfs/dbraw/zinc/84/54/79/851845479.db2.gz PRKHTLUDOPWFIC-UHFFFAOYSA-N -2 0 363.351 0.841 20 0 FCADRL O=C([O-])c1cc(C(=O)N[C@@H]2CCc3n[nH]cc3C2)cc(S(=O)(=O)[O-])c1 ZINC001189934383 851845691 /nfs/dbraw/zinc/84/56/91/851845691.db2.gz SZCXRJAGPKMFCM-LLVKDONJSA-N -2 0 365.367 0.642 20 0 FCADRL O=C([O-])c1cc(C(=O)NCCOC(F)(F)F)cc(S(=O)(=O)[O-])c1 ZINC001189934625 851846199 /nfs/dbraw/zinc/84/61/99/851846199.db2.gz VQSPHNFRTYJHKI-UHFFFAOYSA-N -2 0 357.262 0.898 20 0 FCADRL CN(C)C(=O)[C@H]1CC12CN(C(=O)c1ccccc1OP(=O)([O-])[O-])C2 ZINC001278366211 862306788 /nfs/dbraw/zinc/30/67/88/862306788.db2.gz JAUAUQJIGIAYBZ-LLVKDONJSA-N -2 0 354.299 0.708 20 0 FCADRL Cc1c(Cl)c(C(=O)NCCOP(=O)([O-])[O-])ccc1S(C)(=O)=O ZINC001191353867 852055708 /nfs/dbraw/zinc/05/57/08/852055708.db2.gz CXUKOVMISPOXDP-UHFFFAOYSA-N -2 0 371.735 0.891 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(C(N)=O)nn1C ZINC001192109785 852183266 /nfs/dbraw/zinc/18/32/66/852183266.db2.gz LQEZLHAZPIMXTG-UHFFFAOYSA-N -2 0 366.399 0.645 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)NCS(=O)(=O)[O-])c(Cl)cc1Cl ZINC001192443671 852239586 /nfs/dbraw/zinc/23/95/86/852239586.db2.gz ZPCYWXBNRKYJJK-UHFFFAOYSA-N -2 0 364.184 0.815 20 0 FCADRL CCOc1ccc(S(=O)(=O)NCC[P@@](=O)([O-])O)cc1C(=O)[O-] ZINC001192660369 852270914 /nfs/dbraw/zinc/27/09/14/852270914.db2.gz QBXLWVKJAUHDLZ-UHFFFAOYSA-N -3 0 353.289 0.240 20 0 FCADRL CCOC(=O)c1nonc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192683801 852275198 /nfs/dbraw/zinc/27/51/98/852275198.db2.gz UPNKOQSESACOIS-UHFFFAOYSA-N -2 0 371.327 0.511 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)n(CCO)n1 ZINC001192683023 852275753 /nfs/dbraw/zinc/27/57/53/852275753.db2.gz JGCUXLWIDIBGTG-UHFFFAOYSA-N -2 0 355.372 0.448 20 0 FCADRL COc1ncnc(OC)c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192686721 852277412 /nfs/dbraw/zinc/27/74/12/852277412.db2.gz XCFUGMJMMYSCGF-UHFFFAOYSA-N -2 0 369.355 0.758 20 0 FCADRL CC(C)(C)OC(=O)Nc1cn[nH]c1C(=O)NCCOP(=O)([O-])[O-] ZINC001193002225 852334999 /nfs/dbraw/zinc/33/49/99/852334999.db2.gz PTOOTZJJAFEKSD-UHFFFAOYSA-N -2 0 350.268 0.596 20 0 FCADRL C[C@H]1[C@H](NC(=O)c2cc(Cl)nc(Cl)c2[O-])C(=O)N1S(=O)(=O)[O-] ZINC001193092784 852353336 /nfs/dbraw/zinc/35/33/36/852353336.db2.gz BXJSTVVKRZJTFX-DZSWIPIPSA-N -2 0 370.170 0.226 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c([O-])c1 ZINC001193265001 852400531 /nfs/dbraw/zinc/40/05/31/852400531.db2.gz XSHGDYNLLRGQIN-JTQLQIEISA-N -2 0 364.445 0.563 20 0 FCADRL NC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)ccn1 ZINC001195201765 852723271 /nfs/dbraw/zinc/72/32/71/852723271.db2.gz IQFODPBXWQNPKY-UHFFFAOYSA-N -2 0 357.294 0.380 20 0 FCADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)N[C@@H]3CO[N-]C3=O)cc2)c1 ZINC001196099479 852891795 /nfs/dbraw/zinc/89/17/95/852891795.db2.gz GFZKKHGJSCWZDI-CQSZACIVSA-N -2 0 362.363 0.760 20 0 FCADRL COc1cccc(CNC(=S)NCCOP(=O)([O-])[O-])c1OC ZINC001200525826 853501278 /nfs/dbraw/zinc/50/12/78/853501278.db2.gz ZKQGYUBJWWQFHX-UHFFFAOYSA-N -2 0 350.333 0.777 20 0 FCADRL COc1ccc(CCOC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1OC ZINC001222286684 856823246 /nfs/dbraw/zinc/82/32/46/856823246.db2.gz LSFNTVLSWWLPNT-QMTHXVAHSA-N -2 0 356.327 0.326 20 0 FCADRL O=C([O-])C[C@H](C(=O)OCc1nnc(-c2ccccc2)o1)[C@@H](O)C(=O)[O-] ZINC001222934649 856883637 /nfs/dbraw/zinc/88/36/37/856883637.db2.gz BAEUZVQSQSEVRV-JOYOIKCWSA-N -2 0 350.283 0.316 20 0 FCADRL CCOC(=O)c1cccc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001223283539 856907201 /nfs/dbraw/zinc/90/72/01/856907201.db2.gz VIKITTWBCIREGE-AAEUAGOBSA-N -2 0 354.311 0.443 20 0 FCADRL O=C([O-])C[C@H](C(=O)OCc1cc(-c2cccs2)on1)[C@@H](O)C(=O)[O-] ZINC001223659641 856934977 /nfs/dbraw/zinc/93/49/77/856934977.db2.gz SUUJOXWOVIIASB-QPUJVOFHSA-N -2 0 355.324 0.983 20 0 FCADRL Cc1noc(C(Cl)(Cl)OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001223699407 856938446 /nfs/dbraw/zinc/93/84/46/856938446.db2.gz PTBYIJFFTYJKTR-UJURSFKZSA-N -2 0 357.102 0.046 20 0 FCADRL COC(=O)c1ccc(C)cc1COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001224205658 856968453 /nfs/dbraw/zinc/96/84/53/856968453.db2.gz ZRAKUSIYEZEYTB-DGCLKSJQSA-N -2 0 354.311 0.361 20 0 FCADRL COC(=O)c1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1C ZINC001224203177 856968859 /nfs/dbraw/zinc/96/88/59/856968859.db2.gz JCMCWMCGRNTTMJ-AAEUAGOBSA-N -2 0 354.311 0.361 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@@H](COC(=O)[C@H](O)COP(=O)([O-])[O-])C1 ZINC001224439312 856983770 /nfs/dbraw/zinc/98/37/70/856983770.db2.gz HPLLAOMBXJODCJ-NXEZZACHSA-N -2 0 369.307 0.257 20 0 FCADRL CC(C)(C)OC(=O)NCCCCOC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001224516334 856986102 /nfs/dbraw/zinc/98/61/02/856986102.db2.gz XMCKSQMNSYNPLK-ONGXEEELSA-N -2 0 363.363 0.371 20 0 FCADRL COc1ccc(CCCOC(=O)[C@H](O)COP(=O)([O-])[O-])cc1OC ZINC001225072617 857018190 /nfs/dbraw/zinc/01/81/90/857018190.db2.gz JJHNSILCIRIPBA-LLVKDONJSA-N -2 0 364.287 0.650 20 0 FCADRL COc1cc2c(cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])CCC2=O ZINC001225371530 857037134 /nfs/dbraw/zinc/03/71/34/857037134.db2.gz PXKQERZFKSRDJT-OTYXRUKQSA-N -2 0 352.295 0.266 20 0 FCADRL Cc1nc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc1Br ZINC001225748251 857057909 /nfs/dbraw/zinc/05/79/09/857057909.db2.gz CVUCTIPAYNXUDJ-WKEGUHRASA-N -2 0 362.132 0.594 20 0 FCADRL Cc1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ncc1Br ZINC001225779070 857059249 /nfs/dbraw/zinc/05/92/49/857059249.db2.gz MOORZIPRWRHRLO-LDWIPMOCSA-N -2 0 362.132 0.594 20 0 FCADRL CCC(=O)c1cc(F)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(F)c1 ZINC001225891200 857070060 /nfs/dbraw/zinc/07/00/60/857070060.db2.gz HOVFFOAJVLOMDY-KRTXAFLBSA-N -2 0 360.265 0.999 20 0 FCADRL Nc1nc(-c2ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc2)cs1 ZINC001226027036 857079911 /nfs/dbraw/zinc/07/99/11/857079911.db2.gz STTLENKLHPMLNW-JOYOIKCWSA-N -2 0 366.351 0.834 20 0 FCADRL COC(=O)c1cnc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c2ccccc12 ZINC001226214264 857091134 /nfs/dbraw/zinc/09/11/34/857091134.db2.gz APGWPVHZKOQWRZ-LLVKDONJSA-N -2 0 371.238 0.397 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1nc(Cl)nc2ccc(F)cc21)[C@H](O)C(=O)[O-] ZINC001226372426 857100223 /nfs/dbraw/zinc/10/02/23/857100223.db2.gz NPAQUKSPGPOGNO-XCBNKYQSSA-N -2 0 372.692 0.864 20 0 FCADRL COc1ccc2nc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])sc2c1 ZINC001226652868 857118700 /nfs/dbraw/zinc/11/87/00/857118700.db2.gz OSGCVRIXBIHRHZ-HQJQHLMTSA-N -2 0 355.324 0.747 20 0 FCADRL COc1ccc2nc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])sc2c1 ZINC001226652870 857119269 /nfs/dbraw/zinc/11/92/69/857119269.db2.gz OSGCVRIXBIHRHZ-WRWORJQWSA-N -2 0 355.324 0.747 20 0 FCADRL Cc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc(C(F)(F)F)n1 ZINC001226679775 857121159 /nfs/dbraw/zinc/12/11/59/857121159.db2.gz RKVMLNJEJKIHHY-YLWLKBPMSA-N -2 0 352.221 0.246 20 0 FCADRL COC(=O)c1cccc(Cl)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001226984377 857135546 /nfs/dbraw/zinc/13/55/46/857135546.db2.gz ZETSUIRNSKZBEE-GMSGAONNSA-N -2 0 360.702 0.568 20 0 FCADRL CCOC(=O)c1ccc(F)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227147649 857146206 /nfs/dbraw/zinc/14/62/06/857146206.db2.gz ONNGEYWQSDMXGI-SKDRFNHKSA-N -2 0 358.274 0.444 20 0 FCADRL COc1ccc(F)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1Cl ZINC001227356420 857156894 /nfs/dbraw/zinc/15/68/94/857156894.db2.gz OBSCZIGKACZHOR-RRAGMBSWSA-N -2 0 350.682 0.930 20 0 FCADRL COC(=O)c1cc(F)cc(F)c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001227753023 857174840 /nfs/dbraw/zinc/17/48/40/857174840.db2.gz RCGXVIXYMDITKG-MRVPVSSYSA-N -2 0 356.170 0.127 20 0 FCADRL COC(=O)c1cc(F)cc(F)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227752599 857174874 /nfs/dbraw/zinc/17/48/74/857174874.db2.gz OORXZNSWANCHNY-WKEGUHRASA-N -2 0 362.237 0.193 20 0 FCADRL COC(=O)c1cc(F)cc(F)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227752598 857174995 /nfs/dbraw/zinc/17/49/95/857174995.db2.gz OORXZNSWANCHNY-QUBYGPBYSA-N -2 0 362.237 0.193 20 0 FCADRL Cn1ccc2nc(Cl)nc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c21 ZINC001227790099 857178511 /nfs/dbraw/zinc/17/85/11/857178511.db2.gz JFWJZLVYCYEJTE-MLUIRONXSA-N -2 0 357.706 0.064 20 0 FCADRL CCOC(=O)c1cc2cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])ccc2[nH]1 ZINC001227864332 857181656 /nfs/dbraw/zinc/18/16/56/857181656.db2.gz XZNRXSAXNFEAFC-GFCCVEGCSA-N -2 0 373.254 0.720 20 0 FCADRL O=C([O-])C[C@H](O)C(=O)Oc1[n-]c(=O)nc2cc(Br)ccc21 ZINC001228066532 857190549 /nfs/dbraw/zinc/19/05/49/857190549.db2.gz ACBXKPVRSMZKCV-QMMMGPOBSA-N -2 0 357.116 0.839 20 0 FCADRL Cc1cnc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(Br)c1 ZINC001228172297 857195727 /nfs/dbraw/zinc/19/57/27/857195727.db2.gz SQRBBNGETXSIEL-RCOVLWMOSA-N -2 0 362.132 0.594 20 0 FCADRL Cc1nc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2cccc(O)c2n1 ZINC001228833050 857232243 /nfs/dbraw/zinc/23/22/43/857232243.db2.gz SKHCZAWPHHINKE-UFBFGSQYSA-N -2 0 350.283 0.086 20 0 FCADRL O=C(Oc1ccc(O[C@H]2CCCCO2)cc1)[C@H](O)COP(=O)([O-])[O-] ZINC001229041736 857245950 /nfs/dbraw/zinc/24/59/50/857245950.db2.gz PVJIVVOKVNBDCK-OLZOCXBDSA-N -2 0 362.271 0.968 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(Br)c(F)n1)[C@@H](O)C(=O)[O-] ZINC001229237690 857259869 /nfs/dbraw/zinc/25/98/69/857259869.db2.gz AOOOGWGSJJQIQA-SPGJFGJESA-N -2 0 366.095 0.425 20 0 FCADRL C[C@H]1OCC[C@H]1COc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-] ZINC001230147224 857307524 /nfs/dbraw/zinc/30/75/24/857307524.db2.gz TVRWHJHJPWGKQB-SFYZADRCSA-N -2 0 368.385 0.689 20 0 FCADRL COc1cc(C(C)=O)c(F)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001230274257 857321650 /nfs/dbraw/zinc/32/16/50/857321650.db2.gz QUORMQSKCUSGHK-ISVAXAHUSA-N -2 0 358.274 0.479 20 0 FCADRL COc1ccc(NC(C)=O)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001230391518 857332453 /nfs/dbraw/zinc/33/24/53/857332453.db2.gz QICIKUPHVPMVHG-RNCFNFMXSA-N -2 0 355.299 0.095 20 0 FCADRL COc1ccc(NC(C)=O)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001230391520 857332485 /nfs/dbraw/zinc/33/24/85/857332485.db2.gz QICIKUPHVPMVHG-ZANVPECISA-N -2 0 355.299 0.095 20 0 FCADRL COc1ccc(-c2ccnc(OC(=O)[C@H](O)COP(=O)([O-])[O-])n2)cc1 ZINC001230741077 857347046 /nfs/dbraw/zinc/34/70/46/857347046.db2.gz YNCVANOPFUXWBI-GFCCVEGCSA-N -2 0 370.254 0.528 20 0 FCADRL COc1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(C)cc1C(C)=O ZINC001231129761 857356576 /nfs/dbraw/zinc/35/65/76/857356576.db2.gz OZQBYVOYHVKROD-YGRLFVJLSA-N -2 0 354.311 0.648 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(=O)oc2ccc(F)cc12)[C@@H](O)C(=O)[O-] ZINC001231180356 857357092 /nfs/dbraw/zinc/35/70/92/857357092.db2.gz OLDWVIQSOVEJOL-AMIZOPFISA-N -2 0 354.242 0.374 20 0 FCADRL CCOC(=O)c1c[nH]c2cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])ccc21 ZINC001233539740 857386138 /nfs/dbraw/zinc/38/61/38/857386138.db2.gz MINRDIWKYRBUPS-GFCCVEGCSA-N -2 0 373.254 0.720 20 0 FCADRL CCCC(=O)c1ccc([O-])cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001233650526 857388677 /nfs/dbraw/zinc/38/86/77/857388677.db2.gz MDNVQXCLCFODMB-YGRLFVJLSA-N -2 0 354.311 0.817 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cnc(F)c(Br)c1)[C@H](O)C(=O)[O-] ZINC001233670639 857389391 /nfs/dbraw/zinc/38/93/91/857389391.db2.gz PPAQJYFFSXDOKM-XRGYYRRGSA-N -2 0 366.095 0.425 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(F)cc1-c1ccno1)[C@@H](O)C(=O)[O-] ZINC001233815799 857391487 /nfs/dbraw/zinc/39/14/87/857391487.db2.gz ZSVKQUJXUHGKQJ-NOZJJQNGSA-N -2 0 353.258 0.923 20 0 FCADRL O=C(Oc1ccc(OCCOC2CC2)cc1)[C@H](O)COP(=O)([O-])[O-] ZINC001234541699 857408445 /nfs/dbraw/zinc/40/84/45/857408445.db2.gz MEFBULAALDYHOD-CYBMUJFWSA-N -2 0 362.271 0.620 20 0 FCADRL COC(=O)c1c(F)ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1F ZINC001234676109 857412403 /nfs/dbraw/zinc/41/24/03/857412403.db2.gz ITFFFVKKLGYAPQ-BLTYZCFWSA-N -2 0 362.237 0.193 20 0 FCADRL COc1cc(OC)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1OC ZINC001234699774 857412444 /nfs/dbraw/zinc/41/24/44/857412444.db2.gz JJILYXVPHRBXBW-WPPNPWJKSA-N -2 0 358.299 0.154 20 0 FCADRL O=P([O-])([O-])OCCNC(=S)Nc1ccc(N2CCOCC2)nc1 ZINC001247569704 857613283 /nfs/dbraw/zinc/61/32/83/857613283.db2.gz XXBNVLWJWQORII-UHFFFAOYSA-N -2 0 362.348 0.314 20 0 FCADRL CC(C)S(=O)(=O)Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001252523580 857819935 /nfs/dbraw/zinc/81/99/35/857819935.db2.gz ULOGHSJTJZBPCW-UHFFFAOYSA-N -2 0 359.403 0.330 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)CC(F)(F)F)c1 ZINC001253193128 857871946 /nfs/dbraw/zinc/87/19/46/857871946.db2.gz GPURZMJZYTYPOG-UHFFFAOYSA-N -2 0 362.351 0.947 20 0 FCADRL CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cn(C)cn2)cc1 ZINC001258993109 858217152 /nfs/dbraw/zinc/21/71/52/858217152.db2.gz FERMWJGQAPILAY-UHFFFAOYSA-N -2 0 358.401 0.046 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccn1 ZINC001260191184 858352585 /nfs/dbraw/zinc/35/25/85/858352585.db2.gz DNENNXOOOKTFRY-ZDUSSCGKSA-N -2 0 350.352 0.972 20 0 FCADRL O=C([O-])c1ccc(F)c(S(=O)(=O)NCCCC[P@](=O)([O-])O)c1 ZINC001260218867 858356524 /nfs/dbraw/zinc/35/65/24/858356524.db2.gz UYILVHNVJWSPMY-UHFFFAOYSA-N -2 0 355.280 0.760 20 0 FCADRL CCOC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260393107 858365708 /nfs/dbraw/zinc/36/57/08/858365708.db2.gz LFMZTIIIKROAOJ-UHFFFAOYSA-N -2 0 369.355 0.801 20 0 FCADRL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)CS(C)(=O)=O)c1O ZINC001260591726 858394067 /nfs/dbraw/zinc/39/40/67/858394067.db2.gz JDBWWENQWFVSIB-UHFFFAOYSA-N -2 0 357.793 0.576 20 0 FCADRL O=c1[nH]c([O-])nc2ccc(S(=O)(=O)[N-]c3nccn4ccnc34)cc12 ZINC001260612196 858403967 /nfs/dbraw/zinc/40/39/67/858403967.db2.gz OEELZWCFWSHIBM-UHFFFAOYSA-N -2 0 358.339 0.885 20 0 FCADRL O=C([O-])c1cnc(C(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)cn1 ZINC001610862838 970772295 /nfs/dbraw/zinc/77/22/95/970772295.db2.gz JQAOROZIXLNIAJ-UHFFFAOYSA-N -2 0 362.323 0.354 20 0 FCADRL NS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000321964132 970830617 /nfs/dbraw/zinc/83/06/17/970830617.db2.gz JHUCVGWLBQHFQL-UHFFFAOYSA-N -2 0 356.381 0.833 20 0 FCADRL NS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000325849262 971248722 /nfs/dbraw/zinc/24/87/22/971248722.db2.gz USHQGNDXADVGRQ-UHFFFAOYSA-N -2 0 374.371 0.972 20 0 FCADRL C[C@@H]1CCN(c2ncncc2-c2nn[nH]n2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001570977543 950500837 /nfs/dbraw/zinc/50/08/37/950500837.db2.gz OQKWISSMJIAKOT-APPZFPTMSA-N -2 0 356.312 0.550 20 0 FCADRL O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001595023606 951326987 /nfs/dbraw/zinc/32/69/87/951326987.db2.gz ZKTLLPZJZAYKTB-CYBMUJFWSA-N -2 0 371.393 0.997 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cc(F)c[nH]1 ZINC001594890655 954520658 /nfs/dbraw/zinc/52/06/58/954520658.db2.gz QWIZRGYVTVIJTO-IONNQARKSA-N -2 0 351.256 0.890 20 0 FCADRL O=C([O-])C1CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])C1 ZINC001594948965 954942599 /nfs/dbraw/zinc/94/25/99/954942599.db2.gz PYGLVPIWPVMFEW-UHFFFAOYSA-N -2 0 354.384 0.333 20 0 FCADRL O=C([O-])[C@H]1COCCN1C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001594957313 954988313 /nfs/dbraw/zinc/98/83/13/954988313.db2.gz FSACMNXTXVGQSO-MRVPVSSYSA-N -2 0 350.249 0.384 20 0 FCADRL COC[C@]1(C(=O)[O-])CCN(C(=O)c2nc[n-]c(=O)c2Br)C1 ZINC001593966942 956561264 /nfs/dbraw/zinc/56/12/64/956561264.db2.gz GAPDWHYKQWGMGE-LBPRGKRZSA-N -2 0 360.164 0.508 20 0 FCADRL Nc1cccnc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001594665806 956574228 /nfs/dbraw/zinc/57/42/28/956574228.db2.gz OHRPKSGUSYANJJ-PSASIEDQSA-N -2 0 360.292 0.400 20 0 FCADRL COC[C@]1(C(=O)[O-])CN(C(=O)c2nn(-c3ccccc3)cc2[O-])CCO1 ZINC001593982701 956724099 /nfs/dbraw/zinc/72/40/99/956724099.db2.gz IZQKMZRHECDFDR-KRWDZBQOSA-N -2 0 361.354 0.520 20 0 FCADRL COc1ccccc1CS(=O)(=O)[N-]C(=O)c1cnc(C(=O)[O-])cn1 ZINC001594146436 958770176 /nfs/dbraw/zinc/77/01/76/958770176.db2.gz OUUKTZBJSRYXEA-UHFFFAOYSA-N -2 0 351.340 0.443 20 0 FCADRL COc1nnc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])s1 ZINC001594162048 958906100 /nfs/dbraw/zinc/90/61/00/958906100.db2.gz WOEXLSMAJKVNHQ-SVRRBLITSA-N -2 0 368.337 0.643 20 0 FCADRL CC[C@@H](CNC(=O)c1cc([N-]S(C)(=O)=O)c(OC)c(OC)c1)C(=O)[O-] ZINC001573803825 960835091 /nfs/dbraw/zinc/83/50/91/960835091.db2.gz IYQGIVFAFOZKQD-VIFPVBQESA-N -2 0 374.415 0.916 20 0 FCADRL CC(C)[C@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C(=O)[O-] ZINC001588829783 961692414 /nfs/dbraw/zinc/69/24/14/961692414.db2.gz UQGMLUPTLQHGMC-LBPRGKRZSA-N -2 0 358.416 0.729 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCN(c3ncccn3)CC2)on1 ZINC000315997104 963962406 /nfs/dbraw/zinc/96/24/06/963962406.db2.gz QHRONXPETVUSAQ-UHFFFAOYSA-N -2 0 353.360 0.110 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1coc(CO)c1 ZINC001594888269 970272977 /nfs/dbraw/zinc/27/29/77/970272977.db2.gz BGGDOGGCVSKRCX-ZJUUUORDSA-N -2 0 364.276 0.508 20 0 FCADRL C[C@H](CN(C)C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)c1nnn[n-]1 ZINC001609902277 970593353 /nfs/dbraw/zinc/59/33/53/970593353.db2.gz QLTPRCWSJAJRFT-ZWNOBZJWSA-N -2 0 357.374 0.481 20 0 FCADRL CNS(=O)(=O)c1cc(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)ccc1[O-] ZINC001604249108 972776324 /nfs/dbraw/zinc/77/63/24/972776324.db2.gz QPTYUYYBKBPAIS-MWLCHTKSSA-N -2 0 372.399 0.509 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1CCC1 ZINC001605974765 972995310 /nfs/dbraw/zinc/99/53/10/972995310.db2.gz WDEOWLFGZZUYHF-DTWKUNHWSA-N -2 0 358.338 0.465 20 0 FCADRL CC(C)c1c(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cnn1-c1ccccn1 ZINC001591923305 976399394 /nfs/dbraw/zinc/39/93/94/976399394.db2.gz MOVOGRJJIRUPHL-JTQLQIEISA-N -2 0 366.399 0.923 20 0 FCADRL CC(C)n1nccc1NC(=O)[C@@H](C)S(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001592168969 977063888 /nfs/dbraw/zinc/06/38/88/977063888.db2.gz CVEXNDIDLVTASX-MRVPVSSYSA-N -2 0 355.376 0.686 20 0 FCADRL C[C@@H](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC001592371968 977899141 /nfs/dbraw/zinc/89/91/41/977899141.db2.gz WQKMFTKOAZLQLH-WDEREUQCSA-N -2 0 359.404 0.479 20 0 FCADRL C[C@@](CO)(CNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)CC(=O)[O-] ZINC001592729362 979242428 /nfs/dbraw/zinc/24/24/28/979242428.db2.gz NNHCGTBTIXIUAL-SZTZYQKNSA-N -2 0 357.384 0.536 20 0 FCADRL CCC(CC)[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])N1CCOCC1 ZINC001595105625 979425133 /nfs/dbraw/zinc/42/51/33/979425133.db2.gz OMOQMQBVOAXSGA-AWEZNQCLSA-N -2 0 364.464 0.434 20 0 FCADRL C[C@H](CS(=O)(=O)N(CCOc1ccccc1)[C@@H](C)C(=O)[O-])C(=O)[O-] ZINC001592790173 979437563 /nfs/dbraw/zinc/43/75/63/979437563.db2.gz WYVPOEXNDVNMTB-NEPJUHHUSA-N -2 0 359.400 0.891 20 0 FCADRL C[C@@H](NC(=O)C(=O)N1CCC(C(=O)[O-])CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001592972535 980133331 /nfs/dbraw/zinc/13/33/31/980133331.db2.gz YOXSTKWOOILKFI-ADEWGFFLSA-N -2 0 354.403 0.561 20 0 FCADRL C[C@@H](NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593052702 980357072 /nfs/dbraw/zinc/35/70/72/980357072.db2.gz FPZVYQCDANBOPP-GWNIPJSYSA-N -2 0 356.419 0.989 20 0 FCADRL CCCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001595523696 981349204 /nfs/dbraw/zinc/34/92/04/981349204.db2.gz PDGXHYFPORJSPQ-SNVBAGLBSA-N -2 0 372.399 0.882 20 0 FCADRL CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-])C(=O)[O-] ZINC001595607682 981604219 /nfs/dbraw/zinc/60/42/19/981604219.db2.gz GJWAAHYJPFVDNW-MWLCHTKSSA-N -2 0 365.791 0.931 20 0 FCADRL CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001594834923 982025008 /nfs/dbraw/zinc/02/50/08/982025008.db2.gz OUYYJJPSKMRVLB-CQSZACIVSA-N -2 0 366.436 0.848 20 0 FCADRL CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001596231581 983627052 /nfs/dbraw/zinc/62/70/52/983627052.db2.gz RAPKDBXIVIVZCP-SECBINFHSA-N -2 0 373.383 0.903 20 0 FCADRL CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001596231582 983627113 /nfs/dbraw/zinc/62/71/13/983627113.db2.gz RAPKDBXIVIVZCP-VIFPVBQESA-N -2 0 373.383 0.903 20 0 FCADRL CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCCC1 ZINC001596543683 984396250 /nfs/dbraw/zinc/39/62/50/984396250.db2.gz VUWUCSBLVPJHQK-UHFFFAOYSA-N -2 0 359.356 0.906 20 0 FCADRL CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1CCO[C@H]1C(=O)[O-] ZINC001596586867 984517618 /nfs/dbraw/zinc/51/76/18/984517618.db2.gz LCUGNUUBKAZGDZ-LKEWCRSYSA-N -2 0 363.310 0.032 20 0 FCADRL CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n1 ZINC001596637863 984629352 /nfs/dbraw/zinc/62/93/52/984629352.db2.gz NWPYLDATQWUEMI-UHFFFAOYSA-N -2 0 368.371 0.649 20 0 FCADRL CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC001596637875 984629398 /nfs/dbraw/zinc/62/93/98/984629398.db2.gz OOCDYIUNBMINFZ-UHFFFAOYSA-N -2 0 372.334 0.479 20 0 FCADRL CCOC(=O)N1CCC(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001596643281 984642794 /nfs/dbraw/zinc/64/27/94/984642794.db2.gz RRTLBRPSQDROFE-UHFFFAOYSA-N -2 0 374.371 0.651 20 0 FCADRL CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cn1C ZINC001596715866 984946509 /nfs/dbraw/zinc/94/65/09/984946509.db2.gz YZKMWGBOMXJVKT-UHFFFAOYSA-N -2 0 356.360 0.284 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C23CC(C(=O)[O-])(C2)C3)nc1 ZINC001596726686 984984552 /nfs/dbraw/zinc/98/45/52/984984552.db2.gz YXDOOELWUDUNMX-UHFFFAOYSA-N -2 0 368.367 0.318 20 0 FCADRL CCOC(=O)c1cnc(C)c(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1 ZINC001596738762 985028873 /nfs/dbraw/zinc/02/88/73/985028873.db2.gz DEOHMTFICDPJDT-UHFFFAOYSA-N -2 0 372.399 0.737 20 0 FCADRL CC(=O)N1CCc2c1cccc2[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001589087747 985273989 /nfs/dbraw/zinc/27/39/89/985273989.db2.gz NRPZGTVEDJDJIP-UHFFFAOYSA-N -2 0 364.383 0.678 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001599941026 985454660 /nfs/dbraw/zinc/45/46/60/985454660.db2.gz DKUUQTVBSUECNF-NSHDSACASA-N -2 0 355.354 0.780 20 0 FCADRL CC(=O)NC[C@H](CC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])CC(C)C ZINC001589143881 985457725 /nfs/dbraw/zinc/45/77/25/985457725.db2.gz YRDNLDCDGHIXBS-LOWVWBTDSA-N -2 0 364.464 0.730 20 0 FCADRL CCOCCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1scnc1C(=O)[O-] ZINC001596924193 985998772 /nfs/dbraw/zinc/99/87/72/985998772.db2.gz OMIVDKGUPGBJJD-MRVPVSSYSA-N -2 0 366.417 0.589 20 0 FCADRL CCOC[C@H](NS(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1)C(=O)[O-] ZINC001596946306 986093806 /nfs/dbraw/zinc/09/38/06/986093806.db2.gz HZOOWWRQTHWFNO-LBPRGKRZSA-N -2 0 359.400 0.817 20 0 FCADRL CC(=O)c1cccc(OCCCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c1 ZINC001589313829 986102998 /nfs/dbraw/zinc/10/29/98/986102998.db2.gz BENAQGLLVQNWQB-NSHDSACASA-N -2 0 357.384 0.967 20 0 FCADRL CCO[N-]C(=O)CNS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001596968090 986180668 /nfs/dbraw/zinc/18/06/68/986180668.db2.gz JROUVNPCDHEVIV-UHFFFAOYSA-N -2 0 353.356 0.279 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCCCC2)[C@H](C(=O)[O-])[C@H](C)O1 ZINC001594549142 986245297 /nfs/dbraw/zinc/24/52/97/986245297.db2.gz AQWDMWJWQZAQNL-WOPDTQHZSA-N -2 0 363.432 0.914 20 0 FCADRL C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001594561007 986310606 /nfs/dbraw/zinc/31/06/06/986310606.db2.gz ALVZVODQOFGUTB-JTQLQIEISA-N -2 0 361.358 0.125 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC001594563687 986345537 /nfs/dbraw/zinc/34/55/37/986345537.db2.gz XQBAHLCPUUSUQN-MXWKQRLJSA-N -2 0 371.415 0.228 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC001594563690 986345695 /nfs/dbraw/zinc/34/56/95/986345695.db2.gz XQBAHLCPUUSUQN-OUAUKWLOSA-N -2 0 371.415 0.228 20 0 FCADRL C[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])n1nnnc1C(C)(C)C ZINC001589423636 986681855 /nfs/dbraw/zinc/68/18/55/986681855.db2.gz OLODTNICUQSMEZ-MRVPVSSYSA-N -2 0 361.424 0.088 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C ZINC001589450126 986836532 /nfs/dbraw/zinc/83/65/32/986836532.db2.gz ATRYCFOIPAFDKQ-KYXWUPHJSA-N -2 0 364.420 0.455 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccn(-c2ccccc2)n1 ZINC001589452671 986850885 /nfs/dbraw/zinc/85/08/85/986850885.db2.gz MFZWMXIOLNYSQJ-NEPJUHHUSA-N -2 0 365.411 0.970 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(-n2cc[nH]c2=O)cc1 ZINC001589453197 986859193 /nfs/dbraw/zinc/85/91/93/986859193.db2.gz OVGCCZYRPRBWOY-NXEZZACHSA-N -2 0 367.383 0.747 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC001589454129 986872880 /nfs/dbraw/zinc/87/28/80/986872880.db2.gz LWFBOTPLKNLCRL-BDAKNGLRSA-N -2 0 363.413 0.259 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)OC(C)(C)C ZINC001589455134 986891567 /nfs/dbraw/zinc/89/15/67/986891567.db2.gz ZZQAFOZWFZXYRZ-DTWKUNHWSA-N -2 0 352.409 0.456 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1sc(N2CCCC2)nc1Cl ZINC001589492620 987064267 /nfs/dbraw/zinc/06/42/67/987064267.db2.gz WDEYFRYEFWSPAC-LURJTMIESA-N -2 0 367.836 0.929 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(OCC(F)(F)F)cn1 ZINC001589492803 987065003 /nfs/dbraw/zinc/06/50/03/987065003.db2.gz YRWAYMVPYYSLAC-ZCFIWIBFSA-N -2 0 356.278 0.555 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1(Cc2ccccc2)CCOCC1 ZINC001589494344 987070831 /nfs/dbraw/zinc/07/08/31/987070831.db2.gz IUPLUUPHALPPTP-GFCCVEGCSA-N -2 0 355.412 0.945 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CC(C)(C)NC(=O)OC(C)(C)C ZINC001589496424 987077649 /nfs/dbraw/zinc/07/76/49/987077649.db2.gz WHXJDVVUIXBFMN-MRVPVSSYSA-N -2 0 352.409 0.599 20 0 FCADRL CCC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC)C(=O)[O-] ZINC001594695077 987111467 /nfs/dbraw/zinc/11/14/67/987111467.db2.gz APFRQMLGYOGGKR-SNVBAGLBSA-N -2 0 359.356 0.494 20 0 FCADRL CCC(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001594702054 987145083 /nfs/dbraw/zinc/14/50/83/987145083.db2.gz YPCHFWYVKRPRAH-SNVBAGLBSA-N -2 0 372.399 0.882 20 0 FCADRL CC(C)(C(=O)[O-])[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001589588753 987386247 /nfs/dbraw/zinc/38/62/47/987386247.db2.gz HYQVDPISPKCHJB-QWHCGFSZSA-N -2 0 362.382 0.888 20 0 FCADRL CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1 ZINC001589641314 987563879 /nfs/dbraw/zinc/56/38/79/987563879.db2.gz QHYJIRGFOSLLOM-UHFFFAOYSA-N -3 0 359.356 0.209 20 0 FCADRL CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cn1 ZINC001589659779 987632951 /nfs/dbraw/zinc/63/29/51/987632951.db2.gz CZEXBMWFPSHHRB-DTWKUNHWSA-N -2 0 352.347 0.011 20 0 FCADRL CC(C)(C)OC(=O)[C@@]1([N-]S(=O)(=O)CC2(CC(=O)[O-])CC2)CCOC1 ZINC001589858579 988420678 /nfs/dbraw/zinc/42/06/78/988420678.db2.gz YRIFIDJHGDNEIG-OAHLLOKOSA-N -2 0 363.432 0.662 20 0 FCADRL C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CCC(=O)[O-])c2)C[C@@H](C(=O)[O-])O1 ZINC001599852380 989033935 /nfs/dbraw/zinc/03/39/35/989033935.db2.gz VRYQXONVNKMONN-MFKMUULPSA-N -2 0 364.354 0.343 20 0 FCADRL CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)[N-]OCCCC(=O)[O-])C1 ZINC001590098494 989232254 /nfs/dbraw/zinc/23/22/54/989232254.db2.gz ZEVMMUHZRBHIHS-BDJLRTHQSA-N -2 0 358.391 0.783 20 0 FCADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-] ZINC001597777793 989250657 /nfs/dbraw/zinc/25/06/57/989250657.db2.gz FUSVWEVURKSTGU-RMLUDKJBSA-N -2 0 361.372 0.793 20 0 FCADRL C[C@@H]1[C@H]2C[C@]1(C(=O)[O-])N(S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1)C2 ZINC001599881685 989492871 /nfs/dbraw/zinc/49/28/71/989492871.db2.gz VOPPXHDPJXUHPL-OWCSCZDJSA-N -2 0 357.359 0.937 20 0 FCADRL C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cc(C(=O)[O-])nn1C ZINC001599882186 989500629 /nfs/dbraw/zinc/50/06/29/989500629.db2.gz QGPHZQQOWVYZGG-HTQZYQBOSA-N -2 0 362.308 0.790 20 0 FCADRL CCn1c(=O)[nH]c2cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])ccc21 ZINC001597832611 989504569 /nfs/dbraw/zinc/50/45/69/989504569.db2.gz RNZLKTRYZMVNCG-DTWKUNHWSA-N -2 0 369.399 0.931 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)N[C@H](CCOC)C(=O)[O-])cc2[n-]c1=S ZINC001597860359 989634487 /nfs/dbraw/zinc/63/44/87/989634487.db2.gz PFHZTHJVYDRYJW-LLVKDONJSA-N -2 0 365.411 0.925 20 0 FCADRL CC(C)(CNS(=O)(=O)c1scnc1C(=O)[O-])[C@]1(O)CCOC1 ZINC001590774180 990575703 /nfs/dbraw/zinc/57/57/03/990575703.db2.gz GEWWUEXHIIFBRI-LBPRGKRZSA-N -2 0 350.418 0.297 20 0 FCADRL CC(C)(CS(=O)(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1)C(=O)[O-] ZINC001590789313 990612922 /nfs/dbraw/zinc/61/29/22/990612922.db2.gz QZVBLNDSXYQFSV-UHFFFAOYSA-N -2 0 360.388 0.993 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@@]1(C)Cc2ccccc2C(=O)O1)C(=O)[O-] ZINC001590798343 990621524 /nfs/dbraw/zinc/62/15/24/990621524.db2.gz SURAOXLYGVCYBB-MRXNPFEDSA-N -2 0 369.395 0.715 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]c1cc(F)cc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001590818238 990650615 /nfs/dbraw/zinc/65/06/15/990650615.db2.gz KVLMZDVVVXWNPJ-UHFFFAOYSA-N -2 0 354.381 0.326 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CC[C@H](OC)C[C@H]2C(=O)[O-])c1 ZINC001599683745 990952806 /nfs/dbraw/zinc/95/28/06/990952806.db2.gz XXZVJTFWLKYBNR-XRZQFLCQSA-N -2 0 355.412 0.893 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1 ZINC001599683822 990954281 /nfs/dbraw/zinc/95/42/81/990954281.db2.gz ZOJUQPZPGRVUFS-YMXBGEKHSA-N -2 0 368.455 0.810 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001590957807 991043421 /nfs/dbraw/zinc/04/34/21/991043421.db2.gz WYGXIXAKNMHFNA-GFCCVEGCSA-N -3 0 361.347 0.615 20 0 FCADRL CC(C)[C@@H](CNC(=O)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)C(=O)[O-] ZINC001590982900 991155346 /nfs/dbraw/zinc/15/53/46/991155346.db2.gz WWNQTAYZQUCGIX-KGLIPLIRSA-N -2 0 362.382 0.670 20 0 FCADRL CC(C)[C@H](CNC(=O)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)C(=O)[O-] ZINC001590982899 991155486 /nfs/dbraw/zinc/15/54/86/991155486.db2.gz WWNQTAYZQUCGIX-KBPBESRZSA-N -2 0 362.382 0.670 20 0 FCADRL COc1ccccc1[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(=O)[O-] ZINC001599700659 991213589 /nfs/dbraw/zinc/21/35/89/991213589.db2.gz YFHUXDJNEIFFCX-CYBMUJFWSA-N -2 0 366.351 0.893 20 0 FCADRL COc1ccccc1C[C@@H](CNS(=O)(=O)C[C@@H](C)C(=O)[O-])C(=O)[O-] ZINC001599706970 991307515 /nfs/dbraw/zinc/30/75/15/991307515.db2.gz GEZRBGJKNDOGCY-PWSUYJOCSA-N -2 0 359.400 0.579 20 0 FCADRL COc1cccnc1CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001599719817 991518038 /nfs/dbraw/zinc/51/80/38/991518038.db2.gz OOSTZGLHZZJBPV-UHFFFAOYSA-N -2 0 354.340 0.737 20 0 FCADRL CC(C)CC(=O)N1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001591104828 991730547 /nfs/dbraw/zinc/73/05/47/991730547.db2.gz KSGQAMPFLGVOJV-UHFFFAOYSA-N -2 0 359.404 0.688 20 0 FCADRL COc1ncc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc1Cl ZINC001599732703 991731062 /nfs/dbraw/zinc/73/10/62/991731062.db2.gz GDWQWTWNNQAZTL-UHFFFAOYSA-N -2 0 350.780 0.914 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1c2sccc2OC(C)(C)[C@H]1O ZINC001598470254 992014538 /nfs/dbraw/zinc/01/45/38/992014538.db2.gz VHAIHYNCGLDQCE-PWSUYJOCSA-N -2 0 364.445 0.562 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001598470217 992014657 /nfs/dbraw/zinc/01/46/57/992014657.db2.gz RDVDTMZRHPAZNV-CYBMUJFWSA-N -2 0 369.399 0.405 20 0 FCADRL CN(CCCNC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])CC(F)(F)F ZINC001598480457 992141739 /nfs/dbraw/zinc/14/17/39/992141739.db2.gz MSFUATSBWNRWPZ-VHSXEESVSA-N -2 0 369.340 0.830 20 0 FCADRL CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cn1 ZINC001599771399 992248691 /nfs/dbraw/zinc/24/86/91/992248691.db2.gz JKDXYRBCGBDNTG-UHFFFAOYSA-N -2 0 357.369 0.379 20 0 FCADRL CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC001598510847 992567762 /nfs/dbraw/zinc/56/77/62/992567762.db2.gz ZYYAKHPJQMNBCZ-AWEZNQCLSA-N -2 0 362.382 0.960 20 0 FCADRL CC(C)N(CC(F)(F)F)C(=O)CS(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001591573944 992781022 /nfs/dbraw/zinc/78/10/22/992781022.db2.gz VSFYGERKWBZXLS-UHFFFAOYSA-N -2 0 357.310 0.681 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c(CC(=O)[O-])c1 ZINC001599609566 993933687 /nfs/dbraw/zinc/93/36/87/993933687.db2.gz JIQUWJIXEKLLFK-JOYOIKCWSA-N -2 0 357.384 0.806 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)c2cncn2C)c(CC(=O)[O-])c1 ZINC001599611167 993955520 /nfs/dbraw/zinc/95/55/20/993955520.db2.gz DEGBNOBYBOAMSS-UHFFFAOYSA-N -2 0 353.356 0.175 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)c(OC)c1C(=O)[O-] ZINC001599611408 993959477 /nfs/dbraw/zinc/95/94/77/993959477.db2.gz ISLJEJBMBASXDY-LLVKDONJSA-N -2 0 361.372 0.790 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1cccs1 ZINC001593179394 994063282 /nfs/dbraw/zinc/06/32/82/994063282.db2.gz RAEHRNQJTHCTLA-CIUDSAMLSA-N -2 0 362.429 0.422 20 0 FCADRL CN1CCn2nc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])cc2C1 ZINC001598628034 994129759 /nfs/dbraw/zinc/12/97/59/994129759.db2.gz JTNMZYMXYZLHCJ-UHFFFAOYSA-N -2 0 354.363 0.967 20 0 FCADRL CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC001598650661 994436641 /nfs/dbraw/zinc/43/66/41/994436641.db2.gz IVXYCVVQLKHXLS-UHFFFAOYSA-N -2 0 373.778 0.177 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1C ZINC001598652248 994463940 /nfs/dbraw/zinc/46/39/40/994463940.db2.gz ZASNDJONMBLMPZ-UHFFFAOYSA-N -2 0 352.372 0.437 20 0 FCADRL CNC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001598655431 994513761 /nfs/dbraw/zinc/51/37/61/994513761.db2.gz LTHOKHMUYAVYBY-UHFFFAOYSA-N -2 0 365.367 0.949 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccn(C)n1 ZINC001598715279 995398309 /nfs/dbraw/zinc/39/83/09/995398309.db2.gz YACQNEVEHVWKTL-SNVBAGLBSA-N -2 0 359.385 0.372 20 0 FCADRL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC001593783056 996492041 /nfs/dbraw/zinc/49/20/41/996492041.db2.gz INXNJGFOJMYYHI-GTNSWQLSSA-N -2 0 354.403 0.659 20 0 FCADRL COC(=O)C[C@@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CCCCC1)C(=O)OC ZINC001598839771 996515182 /nfs/dbraw/zinc/51/51/82/996515182.db2.gz JGPXDIFSHPMNHM-SNVBAGLBSA-N -2 0 365.404 0.046 20 0 FCADRL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2c(C(=O)[O-])cnn2C)cc1F ZINC001598871193 996738106 /nfs/dbraw/zinc/73/81/06/996738106.db2.gz AOLSZZCGIDANCG-UHFFFAOYSA-N -2 0 371.346 0.774 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])n1 ZINC001598875035 996757922 /nfs/dbraw/zinc/75/79/22/996757922.db2.gz OHAJQNXVSJUSFC-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL COC(=O)N1CCC([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001598878135 996779346 /nfs/dbraw/zinc/77/93/46/996779346.db2.gz PXPDCLPKWLRQTH-QMMMGPOBSA-N -2 0 361.376 0.518 20 0 FCADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)N1C[C@@H]2C[C@@]1(C(=O)[O-])[C@@H]2C ZINC001599383008 996891803 /nfs/dbraw/zinc/89/18/03/996891803.db2.gz LEVKEXRYTBDGRY-HHSDFAELSA-N -2 0 361.397 0.939 20 0 FCADRL CC1(C)CN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)[C@H](C(=O)[O-])CO1 ZINC001593946653 996998092 /nfs/dbraw/zinc/99/80/92/996998092.db2.gz GCZBILNTUAMQRR-LBPRGKRZSA-N -2 0 357.384 0.566 20 0 FCADRL COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)O1 ZINC001598898026 997117463 /nfs/dbraw/zinc/11/74/63/997117463.db2.gz OIEKEUGGSWIDMR-NEPJUHHUSA-N -2 0 371.367 0.051 20 0 FCADRL COCc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1OC ZINC001599295081 997125810 /nfs/dbraw/zinc/12/58/10/997125810.db2.gz AETHFEJHHJQNKN-UHFFFAOYSA-N -2 0 355.372 0.924 20 0 FCADRL COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)C1 ZINC001599194666 997192732 /nfs/dbraw/zinc/19/27/32/997192732.db2.gz MCPOEFNNWOIYAK-OAHLLOKOSA-N -2 0 373.383 0.505 20 0 FCADRL COCc1nocc1C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001599307466 997349673 /nfs/dbraw/zinc/34/96/73/997349673.db2.gz UVFUAOMNZOYBCI-UHFFFAOYSA-N -2 0 354.340 0.779 20 0 FCADRL COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])nn1 ZINC001598911969 997387415 /nfs/dbraw/zinc/38/74/15/997387415.db2.gz PKQWMBHTYKAVMT-UHFFFAOYSA-N -2 0 355.328 0.972 20 0 FCADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cnc(C(=O)[O-])cn1 ZINC001598913778 997416300 /nfs/dbraw/zinc/41/63/00/997416300.db2.gz FUXDBDOUQVZQSO-UHFFFAOYSA-N -2 0 355.303 0.901 20 0 FCADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])nn1 ZINC001598914312 997429606 /nfs/dbraw/zinc/42/96/06/997429606.db2.gz SMTSWCFIXKMGBC-UHFFFAOYSA-N -2 0 355.303 0.901 20 0 FCADRL COC(=O)c1c[nH]c(C(=O)[O-])c1[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC001598917906 997509506 /nfs/dbraw/zinc/50/95/06/997509506.db2.gz WOSMCTCJGYWJRO-UHFFFAOYSA-N -2 0 368.371 0.907 20 0 FCADRL CO[N-]C(=O)CNC(=O)Nc1cc(C(=O)[O-])c(NC(C)=O)cc1Cl ZINC001599319882 997563117 /nfs/dbraw/zinc/56/31/17/997563117.db2.gz CTNXBWOEFGYOOX-UHFFFAOYSA-N -2 0 358.738 0.796 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NCC(C)(C)CC(=O)[O-])c1 ZINC001598921152 997565277 /nfs/dbraw/zinc/56/52/77/997565277.db2.gz AEPHXJMJYHEFTI-UHFFFAOYSA-N -2 0 373.383 0.951 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])nn1CC(=O)c1ccc(OC)c2c([O-])coc21 ZINC001598923847 997618617 /nfs/dbraw/zinc/61/86/17/997618617.db2.gz VEUPXFWIJRHVRK-UHFFFAOYSA-N -2 0 374.305 0.835 20 0 FCADRL COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c1 ZINC001598936194 997870684 /nfs/dbraw/zinc/87/06/84/997870684.db2.gz PCGKDLYOOMGFLL-UHFFFAOYSA-N -2 0 372.334 0.398 20 0 FCADRL COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC001599143980 998180317 /nfs/dbraw/zinc/18/03/17/998180317.db2.gz OKIZFCSJWUNYJJ-LURJTMIESA-N -2 0 353.374 0.175 20 0 FCADRL COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001599143974 998180518 /nfs/dbraw/zinc/18/05/18/998180518.db2.gz OFLISYNIGXCJMC-ZETCQYMHSA-N -2 0 353.299 0.383 20 0 FCADRL COc1ccc(CNC(=O)C(=O)[N-]OC2CCOCC2)cc1C(=O)[O-] ZINC001599561500 998205648 /nfs/dbraw/zinc/20/56/48/998205648.db2.gz DJVMNSMNVSKMIO-UHFFFAOYSA-N -2 0 352.343 0.236 20 0 FCADRL COc1cc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)ccc1C(=O)[O-] ZINC001599459889 998253518 /nfs/dbraw/zinc/25/35/18/998253518.db2.gz NBWRUGMBUIYVLH-UHFFFAOYSA-N -2 0 359.356 0.306 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC001598964587 998392535 /nfs/dbraw/zinc/39/25/35/998392535.db2.gz WGODWQMESVWDGA-OAHLLOKOSA-N -2 0 371.367 0.657 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC001598964585 998392947 /nfs/dbraw/zinc/39/29/47/998392947.db2.gz WGODWQMESVWDGA-HNNXBMFYSA-N -2 0 371.367 0.657 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC001598964631 998393018 /nfs/dbraw/zinc/39/30/18/998393018.db2.gz XDBJPTRTLBPLTD-JTQLQIEISA-N -2 0 371.367 0.657 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001598968214 998463649 /nfs/dbraw/zinc/46/36/49/998463649.db2.gz GXLRLNZUIMCAGC-OAHLLOKOSA-N -2 0 371.367 0.657 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC001598970914 998512202 /nfs/dbraw/zinc/51/22/02/998512202.db2.gz WVHHQEYHFBNZQR-WCBMZHEXSA-N -2 0 369.351 0.479 20 0 FCADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCc2ccc(C(=O)[O-])cc2)C1 ZINC001594211119 998821732 /nfs/dbraw/zinc/82/17/32/998821732.db2.gz YWUVCMAALMFAOZ-SMDDNHRTSA-N -2 0 362.382 0.613 20 0 FCADRL COC(=O)c1ccccc1CCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-] ZINC001599003529 998839533 /nfs/dbraw/zinc/83/95/33/998839533.db2.gz WGASGGYIKANYRS-QWRGUYRKSA-N -2 0 371.411 0.961 20 0 FCADRL CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1ncn(CC(=O)[O-])n1 ZINC001599060954 999264971 /nfs/dbraw/zinc/26/49/71/999264971.db2.gz YTBKWWYGMOMSOH-GFCCVEGCSA-N -2 0 372.378 0.501 20 0 FCADRL C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C[C@H]1C(=O)[O-] ZINC001594392073 999478521 /nfs/dbraw/zinc/47/85/21/999478521.db2.gz BIYPFCNWRKMJQC-ZBAXXZLZSA-N -2 0 352.387 0.125 20 0 FCADRL C[C@@H]1CCN(C(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)C[C@H]1C(=O)[O-] ZINC001594395208 999488857 /nfs/dbraw/zinc/48/88/57/999488857.db2.gz ZWTVTDAFJVQQTG-UTUOFQBUSA-N -2 0 352.387 0.269 20 0 FCADRL C[C@@H]1CCN(C(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)C[C@@H]1C(=O)[O-] ZINC001594395206 999488936 /nfs/dbraw/zinc/48/89/36/999488936.db2.gz ZWTVTDAFJVQQTG-GRYCIOLGSA-N -2 0 352.387 0.269 20 0 FCADRL C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC[C@H]1C(=O)[O-] ZINC001594458109 999663920 /nfs/dbraw/zinc/66/39/20/999663920.db2.gz DVJOPLDYDXFMQY-ZWNOBZJWSA-N -2 0 364.354 0.658 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCOCc2ccccc2)C1 ZINC000296913606 214370371 /nfs/dbraw/zinc/37/03/71/214370371.db2.gz KDSZTSPKKJXHSH-INIZCTEOSA-N -2 0 371.411 0.784 20 0 FCADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)cc1C(=O)[O-] ZINC000265587729 210173132 /nfs/dbraw/zinc/17/31/32/210173132.db2.gz QWMRPHWDWWBXPK-UHFFFAOYSA-N -2 0 366.399 0.874 20 0 FCADRL CCOC(=O)c1cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])ccc1C ZINC000285041923 213272592 /nfs/dbraw/zinc/27/25/92/213272592.db2.gz JDVFUHXWIGBPGR-JTQLQIEISA-N -2 0 373.383 0.626 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CCOc3c(C(=O)[O-])cccc32)c[nH]1 ZINC000367215481 216092419 /nfs/dbraw/zinc/09/24/19/216092419.db2.gz HMDQSEKLVMYVHW-UHFFFAOYSA-N -2 0 352.324 0.999 20 0 FCADRL CCN([C@H](C(=O)[O-])C(C)C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000275357154 212013536 /nfs/dbraw/zinc/01/35/36/212013536.db2.gz UJIJWJWXBCKABL-JTQLQIEISA-N -2 0 370.387 0.556 20 0 FCADRL CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000275250280 211992572 /nfs/dbraw/zinc/99/25/72/211992572.db2.gz HSUNLXYZQCRPJC-ZETCQYMHSA-N -2 0 356.360 0.167 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1C ZINC000275057496 211954445 /nfs/dbraw/zinc/95/44/45/211954445.db2.gz YHEDPMNCEAYTAQ-SECBINFHSA-N -2 0 359.356 0.235 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2cc(F)c(F)cc2F)CC[C@@H]1C(=O)[O-] ZINC000274988675 211942974 /nfs/dbraw/zinc/94/29/74/211942974.db2.gz DXEWZPIQHMLREO-BQBZGAKWSA-N -2 0 367.301 0.900 20 0 FCADRL C[C@H]1CCCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@@H]1C(=O)[O-] ZINC000424374828 247200388 /nfs/dbraw/zinc/20/03/88/247200388.db2.gz ZPTXUYKWAKZJOU-XVKPBYJWSA-N -2 0 368.371 0.310 20 0 FCADRL CCn1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(C(N)=O)n1 ZINC000436473754 248042479 /nfs/dbraw/zinc/04/24/79/248042479.db2.gz CADGYNMKELHRTQ-UHFFFAOYSA-N -2 0 356.335 0.640 20 0 FCADRL COc1nn(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000473471789 250231124 /nfs/dbraw/zinc/23/11/24/250231124.db2.gz OXPXNTRZTLIPGM-UHFFFAOYSA-N -3 0 355.328 0.626 20 0 FCADRL CNC(=O)Cn1nc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1C ZINC000503842341 484182790 /nfs/dbraw/zinc/18/27/90/484182790.db2.gz NBDFLSLTFJNYIZ-UHFFFAOYSA-N -2 0 371.357 0.248 20 0 FCADRL CS(=O)(=O)c1nnc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])[n-]1 ZINC000500583176 484467918 /nfs/dbraw/zinc/46/79/18/484467918.db2.gz ZHELCZHUDNSBIH-UHFFFAOYSA-N -2 0 366.334 0.491 20 0 FCADRL O=C([O-])CCC[C@@H](NS(=O)(=O)Cc1ccc(Cl)nc1)C(=O)[O-] ZINC000278567710 488882067 /nfs/dbraw/zinc/88/20/67/488882067.db2.gz CEYZICPMGJERHC-SECBINFHSA-N -2 0 350.780 0.863 20 0 FCADRL O=C([O-])CCC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000278775198 488894917 /nfs/dbraw/zinc/89/49/17/488894917.db2.gz SZSGFKZWUMOQSQ-LLVKDONJSA-N -2 0 373.383 0.834 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])c(C)o1 ZINC000278840365 488899260 /nfs/dbraw/zinc/89/92/60/488899260.db2.gz ZRVOICZPSDCMFW-MRVPVSSYSA-N -2 0 363.344 0.361 20 0 FCADRL CC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1 ZINC000325288832 488909355 /nfs/dbraw/zinc/90/93/55/488909355.db2.gz QSVMOUPXXOHOAU-CHWSQXEVSA-N -2 0 355.368 0.685 20 0 FCADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000327321092 488919218 /nfs/dbraw/zinc/91/92/18/488919218.db2.gz ZVNHVUFEUWISPS-UHFFFAOYSA-N -2 0 366.399 0.652 20 0 FCADRL O=C([O-])CCC[C@@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)[O-] ZINC000327717654 488920892 /nfs/dbraw/zinc/92/08/92/488920892.db2.gz AUNWAQIETLUTFY-SECBINFHSA-N -2 0 372.355 0.004 20 0 FCADRL NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000015243196 487577987 /nfs/dbraw/zinc/57/79/87/487577987.db2.gz GZPGJBWXOTZUPR-UHFFFAOYSA-N -2 0 362.410 0.895 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)NC3CC3)c2)cc1 ZINC000048382994 488069252 /nfs/dbraw/zinc/06/92/52/488069252.db2.gz DJVMNMOYHXYGQH-UHFFFAOYSA-N -2 0 364.383 0.661 20 0 FCADRL C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262739879 488589374 /nfs/dbraw/zinc/58/93/74/488589374.db2.gz JGDSDIFKGWAXSR-NXEZZACHSA-N -2 0 362.429 0.117 20 0 FCADRL COc1cc(C(=O)NCCCC(=O)[O-])cc([N-]S(C)(=O)=O)c1OC ZINC000262745979 488589814 /nfs/dbraw/zinc/58/98/14/488589814.db2.gz KMNNBUOBWWTHSG-UHFFFAOYSA-N -2 0 360.388 0.670 20 0 FCADRL CC(=O)NCCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)[C@@H](C)C(=O)[O-] ZINC000263421146 488611298 /nfs/dbraw/zinc/61/12/98/488611298.db2.gz LEWDRGDHCLPCKC-WPRPVWTQSA-N -2 0 369.340 0.127 20 0 FCADRL C[C@H](CN(C)C(=O)c1cc(F)ccc1[N-]S(C)(=O)=O)c1nnn[n-]1 ZINC000274749548 488732090 /nfs/dbraw/zinc/73/20/90/488732090.db2.gz HEBNJSPXYXLATO-MRVPVSSYSA-N -2 0 356.383 0.586 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])ccc1C ZINC000274937313 488745811 /nfs/dbraw/zinc/74/58/11/488745811.db2.gz FQKRKKOCRDVEMG-VIFPVBQESA-N -2 0 359.356 0.235 20 0 FCADRL Cc1c(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cnn1-c1ccccn1 ZINC000274960474 488748018 /nfs/dbraw/zinc/74/80/18/488748018.db2.gz JDFNSIXVBZSDNJ-JTQLQIEISA-N -2 0 368.371 0.030 20 0 FCADRL CCOCCOc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1 ZINC000274978973 488750066 /nfs/dbraw/zinc/75/00/66/488750066.db2.gz LIWBTRWHMDPECY-UHFFFAOYSA-N -2 0 361.372 0.262 20 0 FCADRL CC(C)(C)[C@H](CC(=O)[O-])NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000274982316 488750747 /nfs/dbraw/zinc/75/07/47/488750747.db2.gz JVFMHZQNLOYVJJ-VIFPVBQESA-N -2 0 370.387 0.604 20 0 FCADRL Cc1cc(Br)c(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])s1 ZINC000274999433 488752000 /nfs/dbraw/zinc/75/20/00/488752000.db2.gz NYHYINMAWWNFML-UHFFFAOYSA-N -2 0 372.218 0.979 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(=O)[O-] ZINC000275010498 488753120 /nfs/dbraw/zinc/75/31/20/488753120.db2.gz PYHSSJQZLGOFHJ-JTQLQIEISA-N -2 0 370.383 0.267 20 0 FCADRL CCC(=O)C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)C(=O)[O-] ZINC000275037406 488755569 /nfs/dbraw/zinc/75/55/69/488755569.db2.gz QSIHCCFAQYKILC-ZETCQYMHSA-N -2 0 350.374 0.030 20 0 FCADRL Cc1c(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cnn1-c1ccccn1 ZINC000275054874 488757027 /nfs/dbraw/zinc/75/70/27/488757027.db2.gz ITQBUPMXEKLVFQ-JTQLQIEISA-N -2 0 368.371 0.172 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2c(F)cc(F)cc2F)CC[C@@H]1C(=O)[O-] ZINC000275069298 488758669 /nfs/dbraw/zinc/75/86/69/488758669.db2.gz GTLYJPIZLGSTNR-YUMQZZPRSA-N -2 0 367.301 0.900 20 0 FCADRL Nc1ncc(Cl)cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000275071164 488758811 /nfs/dbraw/zinc/75/88/11/488758811.db2.gz HBHKUNNTURLVJO-JGVFFNPUSA-N -2 0 363.779 0.113 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c(C)c1 ZINC000275099029 488761657 /nfs/dbraw/zinc/76/16/57/488761657.db2.gz LHLPCDSZJJQNQG-VXGBXAGGSA-N -2 0 357.384 0.800 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)C1 ZINC000275119026 488763175 /nfs/dbraw/zinc/76/31/75/488763175.db2.gz NWAIIJBTHIJBMM-HNNXBMFYSA-N -2 0 368.367 0.121 20 0 FCADRL COC(=O)c1cc(C)ccc1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000275132193 488764917 /nfs/dbraw/zinc/76/49/17/488764917.db2.gz VLURCNCHHAAPEY-JTQLQIEISA-N -2 0 359.356 0.378 20 0 FCADRL CCOc1ccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cn1 ZINC000275177774 488769479 /nfs/dbraw/zinc/76/94/79/488769479.db2.gz WDSMWHVMGLDJRH-AWEZNQCLSA-N -2 0 358.372 0.420 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000275189321 488770627 /nfs/dbraw/zinc/77/06/27/488770627.db2.gz XQXAYPPOSKITKX-OAHLLOKOSA-N -2 0 355.368 0.562 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2c[nH]c3ncccc23)C1 ZINC000275198813 488771637 /nfs/dbraw/zinc/77/16/37/488771637.db2.gz YQNIHZGKOYFFSR-CQSZACIVSA-N -2 0 353.356 0.503 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1F ZINC000277864671 488790619 /nfs/dbraw/zinc/79/06/19/488790619.db2.gz AMLZLMQGXXABMR-JTQLQIEISA-N -2 0 363.319 0.209 20 0 FCADRL Cc1cc2c(cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1)OCO2 ZINC000279904371 488973998 /nfs/dbraw/zinc/97/39/98/488973998.db2.gz CVKYAKAZVQYSQC-VHSXEESVSA-N -2 0 371.367 0.520 20 0 FCADRL C[C@@H](COC1CCCC1)CS(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000563226997 491228728 /nfs/dbraw/zinc/22/87/28/491228728.db2.gz RRFSTFKOFKRHBS-WDEREUQCSA-N -2 0 351.421 0.677 20 0 FCADRL C[C@H](COC1CCCC1)CS(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-] ZINC000563226995 491228969 /nfs/dbraw/zinc/22/89/69/491228969.db2.gz RRFSTFKOFKRHBS-MNOVXSKESA-N -2 0 351.421 0.677 20 0 FCADRL CNS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000290593464 489152219 /nfs/dbraw/zinc/15/22/19/489152219.db2.gz XWWFSGPHLYCXAY-SNVBAGLBSA-N -2 0 364.445 0.611 20 0 FCADRL COCCn1ccc([N-]S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)n1 ZINC000299631359 489464736 /nfs/dbraw/zinc/46/47/36/489464736.db2.gz SMJIGCQVRARLEK-UHFFFAOYSA-N -2 0 369.399 0.966 20 0 FCADRL Cc1n[n-]c(=NC(=O)NCC(C)CNC(=O)N=c2[n-]nc(C)s2)s1 ZINC000454265338 489566758 /nfs/dbraw/zinc/56/67/58/489566758.db2.gz MUVUCPKWIGDJKX-UHFFFAOYSA-N -2 0 370.464 0.430 20 0 FCADRL NC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)n1 ZINC000489750943 489726273 /nfs/dbraw/zinc/72/62/73/489726273.db2.gz GMIXOSCLNJFNKX-UHFFFAOYSA-N -2 0 358.763 0.521 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)n1 ZINC000489755625 489727521 /nfs/dbraw/zinc/72/75/21/489727521.db2.gz QLNUSJXPKVBKSH-UHFFFAOYSA-N -2 0 372.790 0.911 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)N2CCc3ccccc3C2)C[C@H]1C(=O)[O-] ZINC000392704470 490152644 /nfs/dbraw/zinc/15/26/44/490152644.db2.gz JMLSYXSLBITJQD-UONOGXRCSA-N -2 0 368.411 0.397 20 0 FCADRL CCS(=O)(=O)c1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccn(C)n2)c1 ZINC000448125685 490315453 /nfs/dbraw/zinc/31/54/53/490315453.db2.gz NEMSUMDSVDTFLU-UHFFFAOYSA-N -2 0 373.412 0.713 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(=O)[O-] ZINC000547596309 490326835 /nfs/dbraw/zinc/32/68/35/490326835.db2.gz GDIZSOJWWKOTJG-RYUDHWBXSA-N -2 0 372.355 0.532 20 0 FCADRL N#Cc1ccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)c(F)c1 ZINC000547598111 490327697 /nfs/dbraw/zinc/32/76/97/490327697.db2.gz FDGATNFXDGEHHH-CQSZACIVSA-N -2 0 356.331 0.637 20 0 FCADRL C[C@@](C[N-]S(=O)(=O)c1c(F)cc(F)cc1F)(CC(=O)[O-])C(=O)[O-] ZINC000547613001 490329873 /nfs/dbraw/zinc/32/98/73/490329873.db2.gz QGOCOXYEXSYHJA-LBPRGKRZSA-N -3 0 355.290 0.948 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c1C ZINC000547608404 490329966 /nfs/dbraw/zinc/32/99/66/490329966.db2.gz BGBGBWXPFVAJQQ-OAHLLOKOSA-N -2 0 373.383 0.626 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000547877311 490374037 /nfs/dbraw/zinc/37/40/37/490374037.db2.gz MAAKADHDGQYONV-LURJTMIESA-N -2 0 353.150 0.050 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000547922143 490387079 /nfs/dbraw/zinc/38/70/79/490387079.db2.gz VWQBZRSHNZCSTR-WOSRLPQWSA-N -2 0 374.459 0.995 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc1C ZINC000547933975 490390454 /nfs/dbraw/zinc/39/04/54/490390454.db2.gz WVOIMQDJQFTJTD-HNNXBMFYSA-N -2 0 373.383 0.626 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1C ZINC000571734593 491325555 /nfs/dbraw/zinc/32/55/55/491325555.db2.gz NHLGKFODIPKQCD-UHFFFAOYSA-N -2 0 366.399 0.365 20 0 FCADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(=O)[O-])cc2)c1 ZINC000484564942 490442177 /nfs/dbraw/zinc/44/21/77/490442177.db2.gz KUHKGYNPBOWYJJ-UHFFFAOYSA-N -2 0 366.399 0.908 20 0 FCADRL COC(=O)c1cc(C)ccc1S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000548265575 490454295 /nfs/dbraw/zinc/45/42/95/490454295.db2.gz FHIKZLGPWOBZGB-HNNXBMFYSA-N -2 0 373.383 0.626 20 0 FCADRL C[C@@](CNS(=O)(=O)c1cccc2nsnc21)(CC(=O)[O-])C(=O)[O-] ZINC000548267559 490454305 /nfs/dbraw/zinc/45/43/05/490454305.db2.gz MBZHVRWFTCAZIQ-LBPRGKRZSA-N -2 0 359.385 0.535 20 0 FCADRL O=C([O-])[C@H](CO)[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000548532676 490497548 /nfs/dbraw/zinc/49/75/48/490497548.db2.gz HJQYAHQFPFCTOV-ZETCQYMHSA-N -2 0 360.132 0.451 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1cnn(-c2ccccc2)c1)C(=O)[O-] ZINC000548549570 490504020 /nfs/dbraw/zinc/50/40/20/490504020.db2.gz IWCOZEBOUBRZEZ-SNVBAGLBSA-N -2 0 353.356 0.326 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000548569150 490507710 /nfs/dbraw/zinc/50/77/10/490507710.db2.gz JFWHSKGPMBRSIX-ZETCQYMHSA-N -2 0 356.278 0.697 20 0 FCADRL CCc1noc2ncc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc12 ZINC000548591282 490513320 /nfs/dbraw/zinc/51/33/20/490513320.db2.gz LCMSXVFUFMGQET-CQSZACIVSA-N -2 0 371.371 0.629 20 0 FCADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000548590444 490513677 /nfs/dbraw/zinc/51/36/77/490513677.db2.gz XPCKDQIYZCYZCG-CQSZACIVSA-N -2 0 361.420 0.925 20 0 FCADRL C[C@@](CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)(CC(=O)[O-])C(=O)[O-] ZINC000548593728 490514633 /nfs/dbraw/zinc/51/46/33/490514633.db2.gz DDHGVKCGBUWMSP-ZDUSSCGKSA-N -2 0 358.328 0.377 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC000548595134 490516060 /nfs/dbraw/zinc/51/60/60/490516060.db2.gz MHVAXFFAEVKCFM-OAHLLOKOSA-N -2 0 373.383 0.707 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(=O)[O-])cc2)c[nH]1 ZINC000524167801 490522751 /nfs/dbraw/zinc/52/27/51/490522751.db2.gz RYNZZQURLCRYOT-UHFFFAOYSA-N -2 0 352.372 0.723 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(N)=O)nc1 ZINC000501258569 490591001 /nfs/dbraw/zinc/59/10/01/490591001.db2.gz PAJSHEZSARRVNS-UHFFFAOYSA-N -2 0 351.340 0.688 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-]CCc1cccc(C(=O)[O-])n1 ZINC000541002153 490845452 /nfs/dbraw/zinc/84/54/52/490845452.db2.gz ACPQTYSHTUONPY-UHFFFAOYSA-N -2 0 371.396 0.544 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)c1C ZINC000516416146 490862950 /nfs/dbraw/zinc/86/29/50/490862950.db2.gz KKUUXEDJRQQSEF-UHFFFAOYSA-N -2 0 352.372 0.484 20 0 FCADRL O=C([O-])c1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000573389728 491430813 /nfs/dbraw/zinc/43/08/13/491430813.db2.gz DKAXHSLMSLXVHR-UHFFFAOYSA-N -2 0 352.372 0.745 20 0 FCADRL Cc1onc(N)c1S(=O)(=O)[N-]c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000574711138 491515244 /nfs/dbraw/zinc/51/52/44/491515244.db2.gz LKGQKGOEQUVNDI-UHFFFAOYSA-N -2 0 355.328 0.835 20 0 FCADRL CC(=O)NCCN(C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)[C@@H](C)C(=O)[O-] ZINC000575045847 491535689 /nfs/dbraw/zinc/53/56/89/491535689.db2.gz UWKUBQYWYBWLFS-VIFPVBQESA-N -2 0 362.342 0.081 20 0 FCADRL O=C([O-])CCC[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)CCO2)C(=O)[O-] ZINC000560480192 491541699 /nfs/dbraw/zinc/54/16/99/491541699.db2.gz VNSBECDGFTYNMG-LLVKDONJSA-N -2 0 371.367 0.638 20 0 FCADRL CO[C@@H]1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)[C@@H](C(=O)[O-])C1 ZINC000568290921 491567459 /nfs/dbraw/zinc/56/74/59/491567459.db2.gz VOVNQDSZUXQIDM-ZYHUDNBSSA-N -2 0 353.400 0.573 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccnn2C)o1 ZINC000581483874 491774557 /nfs/dbraw/zinc/77/45/57/491774557.db2.gz KURRTWMDAHVDMY-LLVKDONJSA-N -2 0 357.344 0.294 20 0 FCADRL COC(=O)c1oc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc1C ZINC000596031944 491972623 /nfs/dbraw/zinc/97/26/23/491972623.db2.gz ANZOUVLELNFYEI-MRVPVSSYSA-N -2 0 363.344 0.361 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c(C)c1 ZINC000614327633 492024698 /nfs/dbraw/zinc/02/46/98/492024698.db2.gz NSLSIJLQOQWPFC-SNVBAGLBSA-N -2 0 359.356 0.378 20 0 FCADRL COC(=O)c1c(C)cccc1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-] ZINC000614364108 492025935 /nfs/dbraw/zinc/02/59/35/492025935.db2.gz WXZMRHKWDFBKLV-VIFPVBQESA-N -2 0 359.356 0.235 20 0 FCADRL NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000607030467 492136002 /nfs/dbraw/zinc/13/60/02/492136002.db2.gz QGBODTNEGNNQPE-UHFFFAOYSA-N -2 0 356.381 0.833 20 0 FCADRL COc1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c2ncccc12 ZINC000654772792 492349183 /nfs/dbraw/zinc/34/91/83/492349183.db2.gz KAPKOCACXRMJRK-VIFPVBQESA-N -2 0 368.367 0.697 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccnn1CCc1ccccc1)C(=O)[O-] ZINC000621242230 492362894 /nfs/dbraw/zinc/36/28/94/492362894.db2.gz AGDLZBXPTSMNDH-GFCCVEGCSA-N -2 0 367.383 0.332 20 0 FCADRL CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC000621602200 492396372 /nfs/dbraw/zinc/39/63/72/492396372.db2.gz NBIUIGZAFSAVJU-JTQLQIEISA-N -2 0 358.441 0.948 20 0 FCADRL O=C([O-])[C@H]1COCCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000656563658 492634441 /nfs/dbraw/zinc/63/44/41/492634441.db2.gz VSLXMQSAKPQGEM-MRVPVSSYSA-N -2 0 355.290 0.885 20 0 FCADRL C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000653319677 493093722 /nfs/dbraw/zinc/09/37/22/493093722.db2.gz WMXSHXJRZPKFGZ-LDYMZIIASA-N -2 0 362.354 0.707 20 0 FCADRL CC(=O)Nc1cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])ccc1C ZINC000681562859 493186735 /nfs/dbraw/zinc/18/67/35/493186735.db2.gz HRFUEUATEVPBDM-LLVKDONJSA-N -2 0 358.372 0.550 20 0 FCADRL CCC(=O)Nc1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000681563213 493187045 /nfs/dbraw/zinc/18/70/45/493187045.db2.gz NYDWKQRQDGNQMV-LLVKDONJSA-N -2 0 358.372 0.631 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)C2Cc3ccccc3C2)C[C@H]1C(=O)[O-] ZINC000681590227 493192951 /nfs/dbraw/zinc/19/29/51/493192951.db2.gz FWTNTMHFILRBOK-UONOGXRCSA-N -2 0 353.396 0.591 20 0 FCADRL COc1cc(F)c(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])c(F)c1 ZINC000683925561 493380438 /nfs/dbraw/zinc/38/04/38/493380438.db2.gz QWZFTBMOUPDVDS-SNVBAGLBSA-N -2 0 367.326 0.960 20 0 FCADRL COCCCS(=O)(=O)N[C@@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684561588 493419195 /nfs/dbraw/zinc/41/91/95/493419195.db2.gz HYGYABUIEWVASU-ZDUSSCGKSA-N -2 0 359.400 0.265 20 0 FCADRL Cn1cc(S(=O)(=O)N[C@@H](Cc2ccc(CC(=O)[O-])cc2)C(=O)[O-])cn1 ZINC000684562495 493419365 /nfs/dbraw/zinc/41/93/65/493419365.db2.gz YQYXZFYKDRNCRY-ZDUSSCGKSA-N -2 0 367.383 0.021 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])CCO1 ZINC000669445235 493504324 /nfs/dbraw/zinc/50/43/24/493504324.db2.gz MLOGDNNVGWWEBD-SECBINFHSA-N -2 0 355.290 0.885 20 0 FCADRL CCC[C@@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)c1nnn[n-]1 ZINC000818156992 596980622 /nfs/dbraw/zinc/98/06/22/596980622.db2.gz HPQYYRHLZFMDFU-DGCLKSJQSA-N -2 0 357.374 0.877 20 0 FCADRL O=C([O-])[C@@H]1CC(C(=O)NC2(c3nnn[n-]3)CCCC2)=NN1c1ccccc1 ZINC000740391407 597041289 /nfs/dbraw/zinc/04/12/89/597041289.db2.gz AQRXLIRESUFCQB-ZDUSSCGKSA-N -2 0 369.385 0.805 20 0 FCADRL CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2cccc(C(=O)[O-])c2)s1 ZINC000819796668 598149453 /nfs/dbraw/zinc/14/94/53/598149453.db2.gz GQDBCEIYLZGCAH-UHFFFAOYSA-N -2 0 370.368 0.313 20 0 FCADRL CSc1[nH]c(=O)c(C(=O)[N-]O[C@H]2CCCCO2)cc1-c1nnn[n-]1 ZINC000737186529 598286886 /nfs/dbraw/zinc/28/68/86/598286886.db2.gz JAAFXJFTBIJUMS-VIFPVBQESA-N -2 0 352.376 0.877 20 0 FCADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1OC ZINC000737889669 599738855 /nfs/dbraw/zinc/73/88/55/599738855.db2.gz OJRCYIZZBDSEIH-UHFFFAOYSA-N -2 0 359.335 0.925 20 0 FCADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)n1 ZINC000739920900 599739810 /nfs/dbraw/zinc/73/98/10/599739810.db2.gz UNPGDFLKYGDRSB-UHFFFAOYSA-N -2 0 364.383 0.661 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-])cc1OC ZINC000738061586 599797054 /nfs/dbraw/zinc/79/70/54/599797054.db2.gz AXFFDPWVEBGXHE-UHFFFAOYSA-N -2 0 363.413 0.717 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C ZINC000737687638 599864906 /nfs/dbraw/zinc/86/49/06/599864906.db2.gz FKXMQGYBLQRUSY-NSHDSACASA-N -2 0 359.356 0.559 20 0 FCADRL CC[C@H](C)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1C(=O)OC)C(=O)[O-] ZINC000737237338 599870914 /nfs/dbraw/zinc/87/09/14/599870914.db2.gz GNBLRFRWZGURPY-UFBFGSQYSA-N -2 0 373.383 0.949 20 0 FCADRL CCn1c(=O)[nH]nc1S(=O)(=O)C=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C ZINC000737296348 599876125 /nfs/dbraw/zinc/87/61/25/599876125.db2.gz XZBRJKTYQJLQJF-UHFFFAOYSA-N -2 0 356.360 0.303 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2nc(SC)n[nH]2)c1 ZINC000737653385 599883298 /nfs/dbraw/zinc/88/32/98/599883298.db2.gz HDMQJPWKGFKBJH-UHFFFAOYSA-N -2 0 372.384 0.812 20 0 FCADRL COC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(C)C ZINC000737631523 599885329 /nfs/dbraw/zinc/88/53/29/599885329.db2.gz AJOPLMDCYQEEHJ-GFCCVEGCSA-N -2 0 372.399 0.711 20 0 FCADRL CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000737177462 599911874 /nfs/dbraw/zinc/91/18/74/599911874.db2.gz ONVCWLIQAYJTAI-QMMMGPOBSA-N -2 0 351.402 0.693 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)c2cnc(C3CC3)s2)CC1 ZINC000739453934 599912194 /nfs/dbraw/zinc/91/21/94/599912194.db2.gz NHSTYBGNDNXJRF-UHFFFAOYSA-N -2 0 359.429 0.792 20 0 FCADRL COC(=O)c1sc(S(=O)(=O)[N-]C(=O)c2cocn2)c(C(=O)[O-])c1C ZINC000737720807 599912384 /nfs/dbraw/zinc/91/23/84/599912384.db2.gz VCXJOWCPODAGAC-UHFFFAOYSA-N -2 0 374.352 0.648 20 0 FCADRL CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cn1 ZINC000737349503 600098698 /nfs/dbraw/zinc/09/86/98/600098698.db2.gz FLQMXIDXGZHGNV-UHFFFAOYSA-N -2 0 370.362 0.609 20 0 FCADRL COC(=O)c1cc(OC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc(C(=O)[O-])c1 ZINC000737666231 600150591 /nfs/dbraw/zinc/15/05/91/600150591.db2.gz RQUFCPXBERGUDD-UHFFFAOYSA-N -2 0 372.293 0.162 20 0 FCADRL O=C([O-])CCOc1ccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1 ZINC000739740514 600152278 /nfs/dbraw/zinc/15/22/78/600152278.db2.gz SWXAVBDZISDQEP-UHFFFAOYSA-N -2 0 357.326 0.563 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CCc3ccccc32)CC1 ZINC000739597575 600163068 /nfs/dbraw/zinc/16/30/68/600163068.db2.gz JQQWNAQKPALAKS-AWEZNQCLSA-N -2 0 352.412 0.874 20 0 FCADRL O=C([O-])Cc1nc([N-]C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)n[nH]1 ZINC000739909360 600181716 /nfs/dbraw/zinc/18/17/16/600181716.db2.gz HQZLFSMRLFCTPG-UHFFFAOYSA-N -2 0 369.359 0.062 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@H](C)O3)c1C(=O)[O-] ZINC000738827689 600230957 /nfs/dbraw/zinc/23/09/57/600230957.db2.gz NCPAXRJAPMNTGF-ZETCQYMHSA-N -2 0 366.355 0.937 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C)c2)c1C(=O)[O-] ZINC000738827693 600230997 /nfs/dbraw/zinc/23/09/97/600230997.db2.gz NRSXDGULONFJNL-UHFFFAOYSA-N -2 0 352.372 0.919 20 0 FCADRL CNC(=O)Cc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cc1 ZINC000737541349 600232159 /nfs/dbraw/zinc/23/21/59/600232159.db2.gz ZLTLEKNETYSMGM-UHFFFAOYSA-N -2 0 352.372 0.506 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccn(Cc3ccccn3)n2)c1C(=O)[O-] ZINC000738828232 600235320 /nfs/dbraw/zinc/23/53/20/600235320.db2.gz UCBMKHKDZQCNDL-UHFFFAOYSA-N -2 0 362.371 0.857 20 0 FCADRL Cc1nc(CCC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cs1 ZINC000738850828 600242241 /nfs/dbraw/zinc/24/22/41/600242241.db2.gz CHVKDAVKIXCALI-UHFFFAOYSA-N -2 0 361.445 0.542 20 0 FCADRL CC(=O)c1[nH]c(CC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c(C(=O)[O-])c1C ZINC000736177706 600242999 /nfs/dbraw/zinc/24/29/99/600242999.db2.gz OIZGVQZAQJXNHI-VIFPVBQESA-N -2 0 358.372 0.001 20 0 FCADRL COC[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC000737744797 600243529 /nfs/dbraw/zinc/24/35/29/600243529.db2.gz BTPMBWPBIQTWPW-SSDOTTSWSA-N -2 0 360.388 0.247 20 0 FCADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1 ZINC000740217399 600377457 /nfs/dbraw/zinc/37/74/57/600377457.db2.gz YOOUPKPIYDOQDP-UHFFFAOYSA-N -2 0 374.374 0.789 20 0 FCADRL CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736429409 600421550 /nfs/dbraw/zinc/42/15/50/600421550.db2.gz VXEDTXSOTPYLMS-UHFFFAOYSA-N -2 0 362.429 0.804 20 0 FCADRL COc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc2c1O[C@H](C)C2 ZINC000737849166 600460342 /nfs/dbraw/zinc/46/03/42/600460342.db2.gz MRNJKJIVIGUJGC-SECBINFHSA-N -2 0 357.384 0.943 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cccc(N2CCOC2=O)c1 ZINC000739693560 600460673 /nfs/dbraw/zinc/46/06/73/600460673.db2.gz ZODLWWXHOSFMJG-UHFFFAOYSA-N -2 0 356.356 0.568 20 0 FCADRL Cc1nc(-c2ncccn2)sc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000738839707 600460701 /nfs/dbraw/zinc/46/07/01/600460701.db2.gz VGUPQWYRYACLQI-UHFFFAOYSA-N -2 0 370.412 0.833 20 0 FCADRL Cc1cccc(-n2cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])nn2)c1 ZINC000738681424 600462561 /nfs/dbraw/zinc/46/25/61/600462561.db2.gz VSDQMIVHFIOHMC-UHFFFAOYSA-N -2 0 352.372 0.500 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000739692288 600463754 /nfs/dbraw/zinc/46/37/54/600463754.db2.gz NSKPTVVYCALHAC-UHFFFAOYSA-N -2 0 368.411 0.733 20 0 FCADRL CC(C)n1ncc2cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cnc21 ZINC000736539740 600465573 /nfs/dbraw/zinc/46/55/73/600465573.db2.gz NHUMXSNYLWLBED-UHFFFAOYSA-N -2 0 354.388 0.937 20 0 FCADRL COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1 ZINC000391985145 600529911 /nfs/dbraw/zinc/52/99/11/600529911.db2.gz SMADXBJZDLIIIM-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL O=C([O-])Cn1cc(NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)cn1 ZINC000739900763 600531688 /nfs/dbraw/zinc/53/16/88/600531688.db2.gz YGYWIUHDYKOOOC-UHFFFAOYSA-N -2 0 373.394 0.995 20 0 FCADRL Cc1nn2c([n-]nc2SCC(=O)NC2(C(=O)[O-])CCCCC2)nc1=O ZINC000738928922 600552170 /nfs/dbraw/zinc/55/21/70/600552170.db2.gz VQXFZVMSCAUDCA-UHFFFAOYSA-N -2 0 366.403 0.117 20 0 FCADRL CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000324923801 600674393 /nfs/dbraw/zinc/67/43/93/600674393.db2.gz VHFLEXLLAPGFMR-UHFFFAOYSA-N -2 0 352.372 0.437 20 0 FCADRL NC(=O)CCOc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000326892083 600675806 /nfs/dbraw/zinc/67/58/06/600675806.db2.gz IQWPHNHUIDEATH-UHFFFAOYSA-N -2 0 368.371 0.023 20 0 FCADRL Cn1ccc2c1cccc2C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000739040375 600756531 /nfs/dbraw/zinc/75/65/31/600756531.db2.gz ZRDOIOTWLCLGPQ-UHFFFAOYSA-N -2 0 365.411 0.950 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)cc1C(=O)[O-] ZINC000832956509 600830700 /nfs/dbraw/zinc/83/07/00/600830700.db2.gz JDCGSNGHBXGDAS-UHFFFAOYSA-N -2 0 367.387 0.174 20 0 FCADRL COC(=O)C(C)(C)[N-]C(=O)C(F)(F)C(F)(F)C(=O)NC(C)(C)C(=O)[O-] ZINC000831054017 600860398 /nfs/dbraw/zinc/86/03/98/600860398.db2.gz YCAYRIVXTIFVBB-UHFFFAOYSA-N -2 0 374.287 0.304 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)c2cccc3cc[nH]c32)CC1 ZINC000833148207 600943890 /nfs/dbraw/zinc/94/38/90/600943890.db2.gz DWZWTSDLYLBAKO-UHFFFAOYSA-N -2 0 351.384 0.939 20 0 FCADRL C[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC000826008172 600946710 /nfs/dbraw/zinc/94/67/10/600946710.db2.gz FOGRUUAHRXQRNG-JTQLQIEISA-N -2 0 367.387 0.212 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1F ZINC000832866912 601224518 /nfs/dbraw/zinc/22/45/18/601224518.db2.gz ZTBGEYURMULAQD-UHFFFAOYSA-N -3 0 357.319 0.914 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ncccc1OCC(F)(F)F ZINC000833228306 601501213 /nfs/dbraw/zinc/50/12/13/601501213.db2.gz LDPLDWGKXDTFHP-UHFFFAOYSA-N -2 0 370.305 0.947 20 0 FCADRL NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])cc1 ZINC000833089620 601603220 /nfs/dbraw/zinc/60/32/20/601603220.db2.gz XWHLGGLLYXGQET-UHFFFAOYSA-N -2 0 363.398 0.290 20 0 FCADRL C[C@H](CS(=O)(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)[O-] ZINC000827570664 601612997 /nfs/dbraw/zinc/61/29/97/601612997.db2.gz FPESFLXNXHBTER-SECBINFHSA-N -2 0 358.372 0.354 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1C(=O)[O-] ZINC000833052607 601783751 /nfs/dbraw/zinc/78/37/51/601783751.db2.gz CVEGBJDPHCXOSR-UHFFFAOYSA-N -2 0 359.385 0.172 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000735459725 601830237 /nfs/dbraw/zinc/83/02/37/601830237.db2.gz BOTUFBCGNVTWJH-UHFFFAOYSA-N -2 0 372.790 0.911 20 0 FCADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1 ZINC000833345478 601840401 /nfs/dbraw/zinc/84/04/01/601840401.db2.gz TZIAZUXOLNJUCE-UHFFFAOYSA-N -2 0 352.357 0.822 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccccc2O[C@@H]2CCOC2)cn1 ZINC000833273693 601855089 /nfs/dbraw/zinc/85/50/89/601855089.db2.gz CWZDDNMJFFQNAM-LLVKDONJSA-N -2 0 367.383 0.936 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])n1 ZINC000833082702 601863773 /nfs/dbraw/zinc/86/37/73/601863773.db2.gz XGMOMANWGYFYEO-UHFFFAOYSA-N -2 0 356.335 0.397 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(Br)nc2)cn1 ZINC000236430377 602157140 /nfs/dbraw/zinc/15/71/40/602157140.db2.gz VXAYMOCIFNWSSA-UHFFFAOYSA-N -2 0 361.177 0.926 20 0 FCADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-] ZINC000832407973 602179674 /nfs/dbraw/zinc/17/96/74/602179674.db2.gz OVXIKSKIYAEMOO-MRVPVSSYSA-N -2 0 358.372 0.569 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2cnccn2)cc(C)c1OCC(=O)[O-] ZINC000832865147 602201503 /nfs/dbraw/zinc/20/15/03/602201503.db2.gz PIKCJJBVDYNAOC-UHFFFAOYSA-N -2 0 365.367 0.676 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc(C3CCOCC3)[nH]n2)c1C(=O)[O-] ZINC000832991889 602307662 /nfs/dbraw/zinc/30/76/62/602307662.db2.gz RIUWVWCVPXJLPW-UHFFFAOYSA-N -2 0 355.376 0.834 20 0 FCADRL CC(C)c1cccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC000827129510 602347618 /nfs/dbraw/zinc/34/76/18/602347618.db2.gz PEGWCHKTAXZLCH-UHFFFAOYSA-N -2 0 355.416 0.976 20 0 FCADRL O=C([O-])NCCCC(=O)[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000832609447 604162181 /nfs/dbraw/zinc/16/21/81/604162181.db2.gz XYFUXXDBPBNJOM-UHFFFAOYSA-N -2 0 366.399 0.784 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)[O-])C(C)C)s1 ZINC000737701156 604373872 /nfs/dbraw/zinc/37/38/72/604373872.db2.gz WQKBJTOYGWMQBO-VIFPVBQESA-N -2 0 364.401 0.632 20 0 FCADRL COC(=O)CCc1csc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)n1 ZINC000831160144 604624206 /nfs/dbraw/zinc/62/42/06/604624206.db2.gz OFBZPGBQXZXZEZ-UHFFFAOYSA-N -2 0 374.400 0.331 20 0 FCADRL CN(CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(=O)C1CC1 ZINC000833692777 604773921 /nfs/dbraw/zinc/77/39/21/604773921.db2.gz WGRZWTWFOXTSFL-UHFFFAOYSA-N -2 0 354.384 0.199 20 0 FCADRL CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c1C ZINC000829869670 604797523 /nfs/dbraw/zinc/79/75/23/604797523.db2.gz KRGBZAWOGZHHGF-UHFFFAOYSA-N -2 0 371.375 0.285 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000833228690 604886119 /nfs/dbraw/zinc/88/61/19/604886119.db2.gz UYVJFLREQVCIRE-UHFFFAOYSA-N -2 0 369.374 0.865 20 0 FCADRL CS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000833737567 604901870 /nfs/dbraw/zinc/90/18/70/604901870.db2.gz GOVUOHPQSTZYCX-LBPRGKRZSA-N -2 0 352.372 0.207 20 0 FCADRL CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)[O-] ZINC000833662392 604980763 /nfs/dbraw/zinc/98/07/63/604980763.db2.gz FJKALNLYAQOLNN-QMMMGPOBSA-N -2 0 373.387 0.505 20 0 FCADRL CC(=O)N(CCc1ccccc1)CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000833389334 604981928 /nfs/dbraw/zinc/98/19/28/604981928.db2.gz LIYADINVFSQTFF-UHFFFAOYSA-N -2 0 370.427 0.388 20 0 FCADRL CCc1csc(-n2cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cn2)n1 ZINC000833676971 605008282 /nfs/dbraw/zinc/00/82/82/605008282.db2.gz XUGARFBQOAGUBL-UHFFFAOYSA-N -2 0 372.428 0.816 20 0 FCADRL CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])cn1C ZINC000833687222 605049946 /nfs/dbraw/zinc/04/99/46/605049946.db2.gz MPLYWZHWIXFBSO-UHFFFAOYSA-N -2 0 352.372 0.621 20 0 FCADRL CC(C)C[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000833479357 605121439 /nfs/dbraw/zinc/12/14/39/605121439.db2.gz LOGWZEYCOBYXQX-JTQLQIEISA-N -2 0 358.372 0.903 20 0 FCADRL CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)c1 ZINC000833737283 605167978 /nfs/dbraw/zinc/16/79/78/605167978.db2.gz WDVNOVADBAGLDO-UHFFFAOYSA-N -2 0 356.381 0.984 20 0 FCADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1-n1cnnn1 ZINC000833733087 605187797 /nfs/dbraw/zinc/18/77/97/605187797.db2.gz FDYJOHWUTBAEOQ-UHFFFAOYSA-N -2 0 365.327 0.763 20 0 FCADRL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(=O)[O-])cc1 ZINC000833700649 605231628 /nfs/dbraw/zinc/23/16/28/605231628.db2.gz POYANKPSWAUGRI-LBPRGKRZSA-N -2 0 371.415 0.533 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)sc1C(=O)[O-] ZINC000822211753 606711311 /nfs/dbraw/zinc/71/13/11/606711311.db2.gz NHBGAURULTZJEU-UHFFFAOYSA-N -2 0 369.388 0.469 20 0 FCADRL Cn1c(CNC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)n[nH]c1=S ZINC000067049984 664867950 /nfs/dbraw/zinc/86/79/50/664867950.db2.gz BMORMVOHVYMGRQ-UHFFFAOYSA-N -2 0 359.408 0.918 20 0 FCADRL CC(C)(C)NS(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2cccnc2)o1 ZINC000031551606 666120912 /nfs/dbraw/zinc/12/09/12/666120912.db2.gz OSKYVHMWIGITJV-UHFFFAOYSA-N -2 0 366.399 0.826 20 0 FCADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)c1ccccc1O ZINC000031665973 666220741 /nfs/dbraw/zinc/22/07/41/666220741.db2.gz DTLLQFRMJSBKSE-UHFFFAOYSA-N -2 0 366.351 0.728 20 0 FCADRL COc1cccc(C(=O)N[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1O ZINC000057120707 666554649 /nfs/dbraw/zinc/55/46/49/666554649.db2.gz KIRCQINRTFJXSW-UHFFFAOYSA-N -2 0 366.351 0.722 20 0 FCADRL O=C([O-])CCCNS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000914746307 666795144 /nfs/dbraw/zinc/79/51/44/666795144.db2.gz ONLLVHZXTQSDLY-SNVBAGLBSA-N -2 0 370.383 0.267 20 0 FCADRL COCCCn1c(=O)c2ccc(C(=O)[N-]S(C)(=O)=O)cc2[n-]c1=S ZINC000916765975 667027246 /nfs/dbraw/zinc/02/72/46/667027246.db2.gz YNUUVPDISGUMGW-UHFFFAOYSA-N -2 0 371.440 0.411 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)cc1C(N)=O ZINC000325501287 667130748 /nfs/dbraw/zinc/13/07/48/667130748.db2.gz ALBODZDSFFLFSI-UHFFFAOYSA-N -2 0 359.310 0.901 20 0 FCADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)cc1C(=O)[O-] ZINC000753775188 667565838 /nfs/dbraw/zinc/56/58/38/667565838.db2.gz RSFKBGRBNDDQAX-UHFFFAOYSA-N -2 0 356.335 0.315 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000759687645 667816772 /nfs/dbraw/zinc/81/67/72/667816772.db2.gz MTKMXZASTYAVPP-UHFFFAOYSA-N -2 0 357.285 0.483 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)cc1C(=O)[O-] ZINC000776426936 668260721 /nfs/dbraw/zinc/26/07/21/668260721.db2.gz LHBIMYUPEXHRDS-UHFFFAOYSA-N -3 0 355.328 0.626 20 0 FCADRL COCCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)cc1 ZINC000776426410 668260834 /nfs/dbraw/zinc/26/08/34/668260834.db2.gz JZUAESPSXLFIEU-UHFFFAOYSA-N -2 0 355.372 0.944 20 0 FCADRL CC1(c2ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)OCCO1 ZINC000776482096 668264926 /nfs/dbraw/zinc/26/49/26/668264926.db2.gz BRESXWMWUJKLQK-GFCCVEGCSA-N -2 0 373.383 0.502 20 0 FCADRL C[C@@](CNS(=O)(=O)c1cccc2c1COC2=O)(CC(=O)[O-])C(=O)[O-] ZINC000776584756 668274277 /nfs/dbraw/zinc/27/42/77/668274277.db2.gz NBUXEELCCYPFAA-AWEZNQCLSA-N -2 0 357.340 0.201 20 0 FCADRL C[C@@](CNS(=O)(=O)c1ccc2c(c1)C(=O)OC2)(CC(=O)[O-])C(=O)[O-] ZINC000776585023 668274881 /nfs/dbraw/zinc/27/48/81/668274881.db2.gz MWMORSRSBISACY-AWEZNQCLSA-N -2 0 357.340 0.201 20 0 FCADRL Cn1c(Cl)ncc1S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000776719422 668290216 /nfs/dbraw/zinc/29/02/16/668290216.db2.gz VJFUDWRFEUZRHM-NSHDSACASA-N -2 0 351.768 0.014 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)c2cccc3nonc32)C[C@H]1C(=O)[O-] ZINC000776719521 668290234 /nfs/dbraw/zinc/29/02/34/668290234.db2.gz XIIBGWAEAUPETH-JGVFFNPUSA-N -2 0 355.328 0.019 20 0 FCADRL CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000793971098 668973457 /nfs/dbraw/zinc/97/34/57/668973457.db2.gz GCYUXNLGSAOJAU-VXGBXAGGSA-N -2 0 364.420 0.015 20 0 FCADRL CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])n(C)n3)cc21 ZINC000821090018 669155788 /nfs/dbraw/zinc/15/57/88/669155788.db2.gz POIFXHVDLYEPHD-UHFFFAOYSA-N -2 0 364.383 0.828 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000815932563 669930237 /nfs/dbraw/zinc/93/02/37/669930237.db2.gz KKQMRLPFEQONNB-ZJUUUORDSA-N -2 0 374.381 0.705 20 0 FCADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000816732415 669975775 /nfs/dbraw/zinc/97/57/75/669975775.db2.gz FWAKZEUNUNNGRD-UHFFFAOYSA-N -2 0 355.236 0.673 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000843336936 670799944 /nfs/dbraw/zinc/79/99/44/670799944.db2.gz OEEYOBIYMOBUTC-VIFPVBQESA-N -2 0 354.325 0.687 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c(Cl)n1 ZINC000844793516 670944843 /nfs/dbraw/zinc/94/48/43/670944843.db2.gz YRIINWMUGTZOQB-IUCAKERBSA-N -2 0 362.791 0.839 20 0 FCADRL O=C(CS(=O)(=O)CC(=O)[N-]OC/C=C/Cl)[N-]OC/C=C/Cl ZINC000848105361 671250715 /nfs/dbraw/zinc/25/07/15/671250715.db2.gz PKXHLYUABFCMBS-ZPUQHVIOSA-N -2 0 361.203 0.002 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CCCF ZINC000849231875 671323444 /nfs/dbraw/zinc/32/34/44/671323444.db2.gz IZCGNIOUPOCFCD-YUMQZZPRSA-N -2 0 364.317 0.272 20 0 FCADRL Cc1nn(C)cc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851702220 671460998 /nfs/dbraw/zinc/46/09/98/671460998.db2.gz KYXHIXSUPNQDJH-NXEZZACHSA-N -2 0 362.308 0.465 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccncc1F ZINC000851704467 671462389 /nfs/dbraw/zinc/46/23/89/671462389.db2.gz WWOLAGXVQFAGMU-ZJUUUORDSA-N -2 0 363.267 0.957 20 0 FCADRL COc1ccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])cc1C(=O)[O-] ZINC000853061575 671535954 /nfs/dbraw/zinc/53/59/54/671535954.db2.gz CJQQUAQDHJHNNK-SECBINFHSA-N -2 0 359.356 0.258 20 0 FCADRL COCC1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC000853062882 671536116 /nfs/dbraw/zinc/53/61/16/671536116.db2.gz VZROUPKPSGTIEY-UHFFFAOYSA-N -2 0 371.411 0.816 20 0 FCADRL O=C([O-])CCc1ccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1 ZINC000853063193 671536169 /nfs/dbraw/zinc/53/61/69/671536169.db2.gz ZYXPQIVTIIJCSF-LBPRGKRZSA-N -2 0 357.384 0.568 20 0 FCADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000853062325 671536170 /nfs/dbraw/zinc/53/61/70/671536170.db2.gz LQTUVKCMEKSVJH-LBPRGKRZSA-N -2 0 357.384 0.811 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000863951719 672163569 /nfs/dbraw/zinc/16/35/69/672163569.db2.gz ATPGHVNLIQRJOI-VHSXEESVSA-N -2 0 355.368 0.764 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000863952700 672163907 /nfs/dbraw/zinc/16/39/07/672163907.db2.gz CYFDHLKGFPMZGF-LLVKDONJSA-N -2 0 367.387 0.039 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)O1 ZINC000863953536 672164238 /nfs/dbraw/zinc/16/42/38/672164238.db2.gz RPVRFIATEWJQRO-NEPJUHHUSA-N -2 0 368.367 0.008 20 0 FCADRL CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000863953700 672164615 /nfs/dbraw/zinc/16/46/15/672164615.db2.gz VPLUYMCNEASLLZ-HNNXBMFYSA-N -2 0 369.399 0.089 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc3ncccc32)O1 ZINC000863954640 672165230 /nfs/dbraw/zinc/16/52/30/672165230.db2.gz ICXGGVGEKXUJBD-NEPJUHHUSA-N -2 0 350.352 0.672 20 0 FCADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000863955285 672165555 /nfs/dbraw/zinc/16/55/55/672165555.db2.gz GXAPJBNVEKORKX-INIZCTEOSA-N -2 0 366.395 0.278 20 0 FCADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)c1cnc(C(=O)[O-])cn1 ZINC000863956406 672166192 /nfs/dbraw/zinc/16/61/92/672166192.db2.gz OLOSLQLRKDYYQJ-UHFFFAOYSA-N -2 0 367.387 0.152 20 0 FCADRL COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])CC2(C)C)c1 ZINC000863960190 672168080 /nfs/dbraw/zinc/16/80/80/672168080.db2.gz KIECOGYJGJZCAQ-INIZCTEOSA-N -2 0 369.395 0.920 20 0 FCADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1C(N)=O ZINC000863961774 672168934 /nfs/dbraw/zinc/16/89/34/672168934.db2.gz BACUVVYFBRWWAF-NSHDSACASA-N -2 0 356.400 0.478 20 0 FCADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1cccc2c1OCCO2 ZINC000863963670 672170213 /nfs/dbraw/zinc/17/02/13/672170213.db2.gz DCWZQJHBZWGFAX-MRXNPFEDSA-N -2 0 369.395 0.905 20 0 FCADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1 ZINC000863964685 672170745 /nfs/dbraw/zinc/17/07/45/672170745.db2.gz ZUJMOUQBURAYEE-LBPRGKRZSA-N -2 0 365.367 0.661 20 0 FCADRL CN(CC(=O)[O-])S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000013059871 675313515 /nfs/dbraw/zinc/31/35/15/675313515.db2.gz ZMLOOORJTJCXCO-UHFFFAOYSA-N -2 0 352.162 0.852 20 0 FCADRL NC(=O)NCCCCC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000052836278 1179882559 /nfs/dbraw/zinc/88/25/59/1179882559.db2.gz LQZKYXPGPLFCNC-UHFFFAOYSA-N -2 0 360.374 0.178 20 0 FCADRL C[C@@H]1[C@@H](NC(=O)c2n[n-]c3ccccc3c2=O)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088893463 1196829026 /nfs/dbraw/zinc/82/90/26/1196829026.db2.gz BWPHXMPGRVHDOE-KOLCDFICSA-N -2 0 369.385 0.552 20 0 FCADRL COc1nc(C(=O)OCC(=O)c2ccc(OC)c3c([O-])coc32)cc(=O)[n-]1 ZINC000811183509 1202961853 /nfs/dbraw/zinc/96/18/53/1202961853.db2.gz RPEZWQVUWAFNNO-UHFFFAOYSA-N -2 0 374.305 0.814 20 0 FCADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC000820291821 1203182704 /nfs/dbraw/zinc/18/27/04/1203182704.db2.gz MUDUKKFTZVVVOV-UHFFFAOYSA-N -2 0 373.226 0.812 20 0 FCADRL Nc1c2c(=O)nccc-2[n-]n1C(=O)COc1ccc(OCC(=O)[O-])cc1 ZINC001183911761 1206462733 /nfs/dbraw/zinc/46/27/33/1206462733.db2.gz PSROCVBYYFRKAZ-UHFFFAOYSA-N -2 0 358.310 0.441 20 0 FCADRL CN1CC[C@H](C(=O)N[N-]C(=O)c2nn(-c3ccccc3)cc2[O-])CC1=O ZINC000044341203 1211919954 /nfs/dbraw/zinc/91/99/54/1211919954.db2.gz UGSAYZGNQOWEFO-NSHDSACASA-N -2 0 357.370 0.207 20 0 FCADRL COC(=O)c1ccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(OC)c1 ZINC001222821911 1225656717 /nfs/dbraw/zinc/65/67/17/1225656717.db2.gz VHNOMSITOWIUDE-ZWNOBZJWSA-N -2 0 370.310 0.061 20 0 FCADRL Cc1nc(-c2ccc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc2)no1 ZINC001223460962 1225706980 /nfs/dbraw/zinc/70/69/80/1225706980.db2.gz KRXMCDYIRXFDPB-AAEUAGOBSA-N -2 0 364.310 0.625 20 0 FCADRL COc1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(OC)c1OC ZINC001223908211 1225744830 /nfs/dbraw/zinc/74/48/30/1225744830.db2.gz QJVJDUWTPCSUMB-CABZTGNLSA-N -2 0 372.326 0.292 20 0 FCADRL CCOC(=O)c1ccccc1CCOC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001224851952 1225795787 /nfs/dbraw/zinc/79/57/87/1225795787.db2.gz AWJWZVGHJNUWCT-OCCSQVGLSA-N -2 0 368.338 0.485 20 0 FCADRL COc1ccc2[nH]c(=O)cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2c1 ZINC001226932864 1225858207 /nfs/dbraw/zinc/85/82/07/1225858207.db2.gz STVDOPHGNPRUJS-LKFCYVNXSA-N -2 0 365.294 0.391 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccccc1C(=O)N1CCCC1)[C@H](O)C(=O)[O-] ZINC001227778157 1225885366 /nfs/dbraw/zinc/88/53/66/1225885366.db2.gz PKGYBBUMDGLNDZ-RISCZKNCSA-N -2 0 365.338 0.364 20 0 FCADRL COc1cc(C(C)=O)cc(OC)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228242275 1225904892 /nfs/dbraw/zinc/90/48/92/1225904892.db2.gz SGZSTADJKOOEJG-NOZJJQNGSA-N -2 0 370.310 0.348 20 0 FCADRL COC(=O)c1cc2ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc2[nH]1 ZINC001229559892 1226018087 /nfs/dbraw/zinc/01/80/87/1226018087.db2.gz CAFIMVSIPBZMLV-NOZJJQNGSA-N -2 0 365.294 0.396 20 0 FCADRL COC(=O)c1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(OC)cc1C ZINC001231367070 1226105105 /nfs/dbraw/zinc/10/51/05/1226105105.db2.gz QCDWPTPMPDTSSK-RNCFNFMXSA-N -2 0 370.310 0.232 20 0 FCADRL COC(=O)c1ccc2occc2c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001231385307 1226105645 /nfs/dbraw/zinc/10/56/45/1226105645.db2.gz OMUUPDOBMWCIQU-SKDRFNHKSA-N -2 0 366.278 0.661 20 0 FCADRL COC(=O)C1(c2cccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2)CC1 ZINC001231154436 1226101326 /nfs/dbraw/zinc/10/13/26/1226101326.db2.gz GIVAJSWZDAKMIL-DGCLKSJQSA-N -2 0 366.322 0.333 20 0 FCADRL COC(=O)[C@@H](C)Oc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001231268881 1226102510 /nfs/dbraw/zinc/10/25/10/1226102510.db2.gz ZWIXVIZZGBNTNF-XTWCZFFVSA-N -2 0 370.310 0.069 20 0 FCADRL CC[C@H](CN1CCOCC1)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC001155873452 1223045621 /nfs/dbraw/zinc/04/56/21/1223045621.db2.gz NKHRNNWMOXZCHX-LLVKDONJSA-N -2 0 361.402 0.585 20 0 FCADRL Cc1nc(C)c(CC(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c(=O)[nH]1 ZINC000031258409 1245293070 /nfs/dbraw/zinc/29/30/70/1245293070.db2.gz ACPUAYQUJBKDJV-UHFFFAOYSA-N -2 0 359.411 0.886 20 0 FCADRL COC(=O)c1c[nH]c2cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc21 ZINC001233537770 1259552868 /nfs/dbraw/zinc/55/28/68/1259552868.db2.gz AGJNKAJUSZGWAB-ZANVPECISA-N -2 0 365.294 0.396 20 0 FCADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)c1 ZINC001242160633 1259634826 /nfs/dbraw/zinc/63/48/26/1259634826.db2.gz MXPHZTYJUAEKLB-UHFFFAOYSA-N -2 0 370.365 0.980 20 0 FCADRL Cc1ccc(-n2[n-]c(C(=O)N3C[C@H]4COC[C@]4(C(=O)[O-])C3)cc2=O)cc1 ZINC001549304378 1267897510 /nfs/dbraw/zinc/89/75/10/1267897510.db2.gz ATEJKIMMINITHX-KPZWWZAWSA-N -2 0 357.366 0.647 20 0 FCADRL CN(CCc1cccc(-c2nn[nH]n2)c1)C(=O)c1c[n-]n2c1nccc2=O ZINC001579236647 1277043343 /nfs/dbraw/zinc/04/33/43/1277043343.db2.gz WMSONIJRPAYKAJ-UHFFFAOYSA-N -2 0 364.369 0.517 20 0 FCADRL CC(=O)c1ccc(OCCCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1 ZINC001603114101 1287310408 /nfs/dbraw/zinc/31/04/08/1287310408.db2.gz DGHNQMQXJQWTQC-NSHDSACASA-N -2 0 357.384 0.967 20 0 FCADRL CC(=O)c1ccc(S(=O)(=O)NCC(=O)[N-]OCCCC(=O)[O-])cc1 ZINC001603117314 1287310503 /nfs/dbraw/zinc/31/05/03/1287310503.db2.gz HSOVXXVRAGUJRN-UHFFFAOYSA-N -2 0 358.372 0.080 20 0 FCADRL C[C@@H](C(=O)N1CCc2sccc2C1)S(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001603147546 1287315734 /nfs/dbraw/zinc/31/57/34/1287315734.db2.gz AEHHSLKVSXLJCU-QMMMGPOBSA-N -2 0 369.424 0.917 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(=O)n(C)c2ccccc12 ZINC001603187281 1287325488 /nfs/dbraw/zinc/32/54/88/1287325488.db2.gz FZEBGIAFGUDNGS-ZJUUUORDSA-N -2 0 366.395 0.707 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(CN2CCCCC2=O)cc1 ZINC001603205497 1287330571 /nfs/dbraw/zinc/33/05/71/1287330571.db2.gz WAAOZSHMLCAZOI-LLVKDONJSA-N -2 0 368.411 0.732 20 0 FCADRL C[C@H]1C(=O)CC[C@H]1CC(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001603830162 1287510204 /nfs/dbraw/zinc/51/02/04/1287510204.db2.gz GSFIRZHRIQCFHR-BDAKNGLRSA-N -2 0 371.357 0.664 20 0 FCADRL O=c1cc(CN2CCC(F)(F)[C@H](CO)C2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582811836 1282034765 /nfs/dbraw/zinc/03/47/65/1282034765.db2.gz FIBMPSISDSZLCH-QMMMGPOBSA-N -2 0 366.332 0.065 20 0 FCADRL C[C@@H](CS(=O)(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-])C(=O)[O-] ZINC001604209200 1287591829 /nfs/dbraw/zinc/59/18/29/1287591829.db2.gz GLWMTQSIFTVHTQ-SDBXPKJASA-N -2 0 372.374 0.943 20 0 FCADRL CN1C(=O)Cc2cc([N-]S(=O)(=O)c3cncc(-c4nn[nH]n4)c3)ccc21 ZINC001591164568 1284242321 /nfs/dbraw/zinc/24/23/21/1284242321.db2.gz DIBIDMODUKRGRG-UHFFFAOYSA-N -2 0 371.382 0.581 20 0 FCADRL COCCC1(C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CC1 ZINC001591400798 1284539826 /nfs/dbraw/zinc/53/98/26/1284539826.db2.gz VPWYUHOPPYKQEN-UHFFFAOYSA-N -2 0 359.346 0.475 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1 ZINC001604701162 1287738758 /nfs/dbraw/zinc/73/87/58/1287738758.db2.gz AJPBDCSGDPTRPH-YECOWLKZSA-N -2 0 360.432 0.333 20 0 FCADRL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC001591795305 1284909901 /nfs/dbraw/zinc/90/99/01/1284909901.db2.gz YQVSKICDBWPGPP-SNVBAGLBSA-N -2 0 374.401 0.981 20 0 FCADRL Cc1cc(C)n(CC(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)n1 ZINC001591956115 1285022120 /nfs/dbraw/zinc/02/21/20/1285022120.db2.gz GJAAKTPKSITZKR-UHFFFAOYSA-N -2 0 369.345 0.172 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC001593279531 1286063338 /nfs/dbraw/zinc/06/33/38/1286063338.db2.gz PPPWNOXHQBDRPI-SVRRBLITSA-N -2 0 373.341 0.677 20 0 FCADRL O=C([O-])[C@@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)C[C@H]1c1ccccc1 ZINC001595190191 1286241488 /nfs/dbraw/zinc/24/14/88/1286241488.db2.gz KLUCIWWJAWNDAI-UONOGXRCSA-N -2 0 352.350 0.963 20 0 FCADRL COC(=O)CN(CC(=O)[O-])C(=O)c1cnc2c(Cl)cccc2c1O ZINC001598861818 1286407967 /nfs/dbraw/zinc/40/79/67/1286407967.db2.gz QRKGXXIFZIQBIW-UHFFFAOYSA-N -2 0 352.730 0.881 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC001599996746 1286420344 /nfs/dbraw/zinc/42/03/44/1286420344.db2.gz GRESHZCTZLEMDH-WDEREUQCSA-N -3 0 371.367 0.489 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC001599997348 1286420888 /nfs/dbraw/zinc/42/08/88/1286420888.db2.gz UJJJCJIODGUZMJ-WBMJQRKESA-N -2 0 369.395 0.805 20 0 FCADRL Cc1c([C@@H](NS(=O)(=O)c2cccc(F)c2C(=O)[O-])C(=O)[O-])cnn1C ZINC001600009051 1286423483 /nfs/dbraw/zinc/42/34/83/1286423483.db2.gz HLVPZVKZLJZULC-GFCCVEGCSA-N -2 0 371.346 0.670 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])nn1C1CCOCC1 ZINC001600096400 1286440560 /nfs/dbraw/zinc/44/05/60/1286440560.db2.gz LLCOZIGNSFEEAJ-UHFFFAOYSA-N -2 0 373.431 0.713 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])ccc1N1CCNC1=O ZINC001600096158 1286440711 /nfs/dbraw/zinc/44/07/11/1286440711.db2.gz CUFZRLAPFWVMNC-SECBINFHSA-N -2 0 355.372 0.057 20 0 FCADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)nc2n1 ZINC001600107701 1286441814 /nfs/dbraw/zinc/44/18/14/1286441814.db2.gz FNXRPZRZDGVMIZ-ZETCQYMHSA-N -2 0 372.428 0.916 20 0 FCADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC001600123771 1286444792 /nfs/dbraw/zinc/44/47/92/1286444792.db2.gz RKHXAPMGDLKSDF-YPMHNXCESA-N -2 0 357.384 0.539 20 0 FCADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1 ZINC001600123391 1286444933 /nfs/dbraw/zinc/44/49/33/1286444933.db2.gz JQJKQOCQDMAXLT-OAHLLOKOSA-N -3 0 371.367 0.633 20 0 FCADRL Cc1cc(F)c(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1C(=O)[O-] ZINC001600226715 1286455784 /nfs/dbraw/zinc/45/57/84/1286455784.db2.gz GCDIERCMGWJSSY-VIFPVBQESA-N -2 0 361.347 0.697 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)nc(N2CCOCC2)n1 ZINC001600281727 1286467719 /nfs/dbraw/zinc/46/77/19/1286467719.db2.gz LOEDMGZGHWNRES-UHFFFAOYSA-N -2 0 367.387 0.449 20 0 FCADRL Cc1ccc(-n2[n-]c(C(=O)N3CCC[C@H]3C(=O)NCC(=O)[O-])cc2=O)cc1 ZINC001600321211 1286477701 /nfs/dbraw/zinc/47/77/01/1286477701.db2.gz DKIOJQXFFVQQQV-AWEZNQCLSA-N -2 0 372.381 0.279 20 0 FCADRL Cc1ccc(NC(=C(F)C(=O)[O-])c2c([O-])[nH]c(=S)[nH]c2=O)c(C)c1 ZINC001600437996 1286485797 /nfs/dbraw/zinc/48/57/97/1286485797.db2.gz DKYANXGRQGRBIC-JTQLQIEISA-N -2 0 351.359 0.923 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600476443 1286492606 /nfs/dbraw/zinc/49/26/06/1286492606.db2.gz MIWQGTVLJVALJN-MFKMUULPSA-N -2 0 357.384 0.539 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC3(CCOCC3)[C@@H]2C(=O)[O-])cc1C(=O)[O-] ZINC001600475738 1286492687 /nfs/dbraw/zinc/49/26/87/1286492687.db2.gz GMXFWCAIAXVHDZ-ZDUSSCGKSA-N -2 0 369.395 0.948 20 0 FCADRL Cc1cccc(C)c1OC[C@@H](O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001600523315 1286501534 /nfs/dbraw/zinc/50/15/34/1286501534.db2.gz SCQRUPPEVQVWOC-NSHDSACASA-N -2 0 370.383 0.708 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)N2CC[C@H]([C@@H]3CCCO3)[C@@H]2C(=O)[O-])c1C(=O)[O-] ZINC001600670608 1286521966 /nfs/dbraw/zinc/52/19/66/1286521966.db2.gz WQJBQLKXWHXNOH-WCABBAIRSA-N -2 0 373.387 0.059 20 0 FCADRL Cc1ncncc1C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001600759242 1286540072 /nfs/dbraw/zinc/54/00/72/1286540072.db2.gz ZFJOZUNUVPVAJC-UHFFFAOYSA-N -2 0 357.294 0.880 20 0 FCADRL Cc1nn(C2CCOCC2)c(C)c1C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001600777301 1286541803 /nfs/dbraw/zinc/54/18/03/1286541803.db2.gz BYKPWXXMNVCVEM-JTQLQIEISA-N -2 0 359.404 0.384 20 0 FCADRL Cc1nn(C2CCOCC2)c(C)c1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC001600777991 1286543124 /nfs/dbraw/zinc/54/31/24/1286543124.db2.gz UENRIEWJWCRUBO-UHFFFAOYSA-N -2 0 373.431 0.776 20 0 FCADRL Cc1nn2c([n-]nc2S[C@H](CNC(=O)c2ccccc2)C(=O)[O-])nc1=O ZINC001600790531 1286545419 /nfs/dbraw/zinc/54/54/19/1286545419.db2.gz JTQPTFZYDIZTEZ-SNVBAGLBSA-N -2 0 374.382 0.096 20 0 FCADRL Cc1nnnn1-c1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])cc1 ZINC001600800696 1286547716 /nfs/dbraw/zinc/54/77/16/1286547716.db2.gz PYCCLBMAZHSRBG-IUCAKERBSA-N -2 0 367.387 0.140 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccn1 ZINC001600837234 1286554088 /nfs/dbraw/zinc/55/40/88/1286554088.db2.gz KNPHPUCQAHZIQE-UHFFFAOYSA-N -2 0 360.369 0.886 20 0 FCADRL Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-] ZINC001600858836 1286559331 /nfs/dbraw/zinc/55/93/31/1286559331.db2.gz GYDSPSNKMNCVMV-POYBYMJQSA-N -2 0 371.371 0.004 20 0 FCADRL Cc1sc(=O)n(CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1C ZINC001600866727 1286559636 /nfs/dbraw/zinc/55/96/36/1286559636.db2.gz UPKNXRWRAQEGLH-UHFFFAOYSA-N -2 0 350.418 0.083 20 0 FCADRL Cn1cc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])c(-c2ccc(Cl)s2)n1 ZINC001600931981 1286572486 /nfs/dbraw/zinc/57/24/86/1286572486.db2.gz IBKMUHTZRVSMIX-UHFFFAOYSA-N -2 0 363.804 0.946 20 0 FCADRL Cn1cc(CCC(=O)[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)nn1 ZINC001600948975 1286577948 /nfs/dbraw/zinc/57/79/48/1286577948.db2.gz QKLWNWQUKHZUSA-UHFFFAOYSA-N -2 0 370.362 0.019 20 0 FCADRL Cn1cc(S(=O)(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])cc1C(=O)[O-] ZINC001600969176 1286585096 /nfs/dbraw/zinc/58/50/96/1286585096.db2.gz YWLLCHZKYGFSKR-LBPRGKRZSA-N -2 0 366.395 0.945 20 0 FCADRL Cn1ncc2cc(S(=O)(=O)[N-]C(=O)C34CC(C(=O)[O-])(C3)C4)cnc21 ZINC001601031701 1286610302 /nfs/dbraw/zinc/61/03/02/1286610302.db2.gz GHZBYUASQIYMFZ-UHFFFAOYSA-N -2 0 350.356 0.028 20 0 FCADRL NC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC001601145895 1286653210 /nfs/dbraw/zinc/65/32/10/1286653210.db2.gz UWYJKZWGTLDCBN-HTQZYQBOSA-N -2 0 360.413 0.543 20 0 FCADRL NC(=O)[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC001601145896 1286653569 /nfs/dbraw/zinc/65/35/69/1286653569.db2.gz UWYJKZWGTLDCBN-JGVFFNPUSA-N -2 0 360.413 0.543 20 0 FCADRL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC001601167106 1286668959 /nfs/dbraw/zinc/66/89/59/1286668959.db2.gz HVYRTNFKHNVQAD-UHFFFAOYSA-N -2 0 362.363 0.531 20 0 FCADRL NS(=O)(=O)c1cc(NC(=O)Cc2ccc(C(=O)[O-])cc2)ccc1[O-] ZINC001601197924 1286690936 /nfs/dbraw/zinc/69/09/36/1286690936.db2.gz PJPIOCFZXQHDMI-UHFFFAOYSA-N -2 0 350.352 0.919 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)CCOC[C@@H]2CCCO2)cc1 ZINC001601281222 1286712441 /nfs/dbraw/zinc/71/24/41/1286712441.db2.gz GZHAYWYZTNNHFH-AWEZNQCLSA-N -2 0 371.411 0.917 20 0 FCADRL O=C([O-])[C@@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)CCc1nnn[n-]1 ZINC001601296108 1286713844 /nfs/dbraw/zinc/71/38/44/1286713844.db2.gz VFUPCHJVANZSNL-SNVBAGLBSA-N -2 0 373.291 0.843 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)cn1 ZINC001601329898 1286730177 /nfs/dbraw/zinc/73/01/77/1286730177.db2.gz ANBYATVOIOFTDA-UHFFFAOYSA-N -2 0 351.340 0.511 20 0 FCADRL O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001601349800 1286732842 /nfs/dbraw/zinc/73/28/42/1286732842.db2.gz SGPRIIAOGUYPRF-LLVKDONJSA-N -2 0 361.383 0.896 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC001601353429 1286733265 /nfs/dbraw/zinc/73/32/65/1286733265.db2.gz LAADEGCLZJBHTA-UHFFFAOYSA-N -2 0 365.411 0.868 20 0 FCADRL O=C([O-])[C@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1 ZINC001601566737 1286786669 /nfs/dbraw/zinc/78/66/69/1286786669.db2.gz ITECFSFWNWJCLX-GBJTYRQASA-N -2 0 374.393 0.683 20 0 FCADRL O=C([O-])C1=NOC2(C1)CCN(S(=O)(=O)CC1(C(=O)[O-])CCC1)CC2 ZINC001601744913 1286819486 /nfs/dbraw/zinc/81/94/86/1286819486.db2.gz SHDMGIZNAWRAFS-UHFFFAOYSA-N -2 0 360.388 0.267 20 0 FCADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC001601804990 1286838531 /nfs/dbraw/zinc/83/85/31/1286838531.db2.gz VJGLVXBCAKLHKQ-TUAOUCFPSA-N -2 0 371.415 0.540 20 0 FCADRL O=C([O-])[C@@H]1N(S(=O)(=O)CC2(C(=O)[O-])CCCC2)CC12CCOCC2 ZINC001601867679 1286858521 /nfs/dbraw/zinc/85/85/21/1286858521.db2.gz GJFRMLJZGNTZHZ-NSHDSACASA-N -2 0 361.416 0.527 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC001601915268 1286871184 /nfs/dbraw/zinc/87/11/84/1286871184.db2.gz RQOHJFGGYVZOLD-LBPRGKRZSA-N -3 0 363.369 0.386 20 0 FCADRL O=C([O-])C[C@]1([N-]S(=O)(=O)c2occc2Br)CCOC1 ZINC001601938359 1286877530 /nfs/dbraw/zinc/87/75/30/1286877530.db2.gz NBHZDCVJQODFMZ-SNVBAGLBSA-N -2 0 354.178 0.954 20 0 FCADRL O=C([O-])C[C@H]1COCCN1S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001601965144 1286889680 /nfs/dbraw/zinc/88/96/80/1286889680.db2.gz LBMBFUKFRFLWHV-ZETCQYMHSA-N -2 0 364.763 0.297 20 0 FCADRL O=C([O-])CC[C@H]1CCCN(C(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)C1 ZINC001601975114 1286891341 /nfs/dbraw/zinc/89/13/41/1286891341.db2.gz UVASHSPWSKMKRM-DGCLKSJQSA-N -2 0 354.403 0.707 20 0 FCADRL O=C([O-])CCC1CCN(C(=O)C(=O)N2CCSC[C@H](C(=O)[O-])C2)CC1 ZINC001601977113 1286891888 /nfs/dbraw/zinc/89/18/88/1286891888.db2.gz XIAOCQRBIRUXKB-GFCCVEGCSA-N -2 0 372.443 0.366 20 0 FCADRL O=C([O-])CCCc1csc(NC(=O)CCCn2c(=O)[n-][nH]c2=O)n1 ZINC001602001027 1286892769 /nfs/dbraw/zinc/89/27/69/1286892769.db2.gz ULDSSEWTNUSGLQ-UHFFFAOYSA-N -2 0 355.376 0.972 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC001601999001 1286892888 /nfs/dbraw/zinc/89/28/88/1286892888.db2.gz OUTISCXOYQCZMH-CYBMUJFWSA-N -2 0 368.411 0.460 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cccn2)c(F)c1 ZINC001601999222 1286893839 /nfs/dbraw/zinc/89/38/39/1286893839.db2.gz LOWJZBRWVQBGAA-UHFFFAOYSA-N -2 0 355.347 0.936 20 0 FCADRL O=C([O-])CCNS(=O)(=O)c1ccc(Br)cc1CC(=O)[O-] ZINC001602024600 1286907321 /nfs/dbraw/zinc/90/73/21/1286907321.db2.gz PHCDMSBEBRMOLS-UHFFFAOYSA-N -2 0 366.189 0.829 20 0 FCADRL O=C([O-])COCCNC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001602078955 1286930492 /nfs/dbraw/zinc/93/04/92/1286930492.db2.gz QKSJMOPKCOSXLA-UHFFFAOYSA-N -2 0 355.313 0.188 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC001602097651 1286933617 /nfs/dbraw/zinc/93/36/17/1286933617.db2.gz ZMMJOFIJVUHIJA-UHFFFAOYSA-N -2 0 360.775 0.611 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])cc1F ZINC001602129932 1286942401 /nfs/dbraw/zinc/94/24/01/1286942401.db2.gz MKNYJJWXECTBRG-SNVBAGLBSA-N -2 0 367.301 0.936 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cn1 ZINC001602163811 1286954362 /nfs/dbraw/zinc/95/43/62/1286954362.db2.gz QCBSWJPSLMUVOP-DLOVCJGASA-N -2 0 357.388 0.374 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccccc2[C@H]2CCC(=O)N2)cn1 ZINC001602164922 1286954893 /nfs/dbraw/zinc/95/48/93/1286954893.db2.gz RBPCUBGQXSXJQG-GFCCVEGCSA-N -2 0 364.383 0.720 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccnc2OCC(F)F)cn1 ZINC001602164954 1286955310 /nfs/dbraw/zinc/95/53/10/1286955310.db2.gz WADOATPRSWOSDQ-UHFFFAOYSA-N -2 0 362.314 0.807 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccn(-c3ncccc3F)n2)cn1 ZINC001602164937 1286955432 /nfs/dbraw/zinc/95/54/32/1286955432.db2.gz ULCRHMBRPQBUPA-UHFFFAOYSA-N -2 0 366.334 0.488 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H](c2nnn[n-]2)c2ccc(Cl)c(F)c2)O1 ZINC001602176210 1286957817 /nfs/dbraw/zinc/95/78/17/1286957817.db2.gz WCDSEQHWDFEZDJ-OUAUKWLOSA-N -2 0 369.740 0.830 20 0 FCADRL O=C([O-])c1c(F)ccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c1F ZINC001602228117 1286972324 /nfs/dbraw/zinc/97/23/24/1286972324.db2.gz MOMCFFJXZMAIBY-ZETCQYMHSA-N -2 0 351.283 0.137 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)N2C[C@H](C(=O)[O-])[C@@]3(CCOC3)C2)cc1 ZINC001602354613 1286990624 /nfs/dbraw/zinc/99/06/24/1286990624.db2.gz JCLJDMDXSNGVLE-CJNGLKHVSA-N -2 0 369.395 0.638 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CCSC[C@H](C(=O)[O-])C2)cc1F ZINC001602396308 1286994395 /nfs/dbraw/zinc/99/43/95/1286994395.db2.gz KRBAOYBNNOXBFM-MRVPVSSYSA-N -2 0 363.388 0.962 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccccc2)s1 ZINC001602396653 1286995753 /nfs/dbraw/zinc/99/57/53/1286995753.db2.gz XDEGARRGJFITCK-VXGBXAGGSA-N -2 0 371.392 0.911 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)c1 ZINC001602439096 1287001096 /nfs/dbraw/zinc/00/10/96/1287001096.db2.gz NOFWOOBOBMXLMT-OLZOCXBDSA-N -2 0 357.384 0.372 20 0 FCADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2cccnc2N2CCOCC2)c1 ZINC001602543233 1287023449 /nfs/dbraw/zinc/02/34/49/1287023449.db2.gz CZZYISVFAFOHJU-UHFFFAOYSA-N -2 0 364.383 0.812 20 0 FCADRL CC(=O)N(C)c1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC001603004919 1287178621 /nfs/dbraw/zinc/17/86/21/1287178621.db2.gz HRPMCWBPGQNARH-NXEZZACHSA-N -2 0 356.400 0.838 20 0 FCADRL CO[C@H](CC(C)C)C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001605007014 1287833788 /nfs/dbraw/zinc/83/37/88/1287833788.db2.gz KKJYAJSPMJANOJ-LLVKDONJSA-N -2 0 361.362 0.719 20 0 FCADRL COC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[nH]n1 ZINC001605047917 1287855141 /nfs/dbraw/zinc/85/51/41/1287855141.db2.gz GXCZWOGZOCVQGP-MNOVXSKESA-N -2 0 367.431 0.731 20 0 FCADRL COCCN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)CC(F)F ZINC001605100947 1287879450 /nfs/dbraw/zinc/87/94/50/1287879450.db2.gz DCMWHPAADYAHDO-UHFFFAOYSA-N -2 0 354.321 0.329 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])C1=O ZINC001605135337 1287892645 /nfs/dbraw/zinc/89/26/45/1287892645.db2.gz LZIPDCKDSJQOJQ-GFCCVEGCSA-N -2 0 361.401 0.669 20 0 FCADRL CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1=O ZINC001605323185 1287926393 /nfs/dbraw/zinc/92/63/93/1287926393.db2.gz YPACIIFLVDUEDF-ZDUSSCGKSA-N -2 0 368.411 0.589 20 0 FCADRL CCN(CC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])C(=O)OC(C)(C)C ZINC001605413479 1287951168 /nfs/dbraw/zinc/95/11/68/1287951168.db2.gz SQEKTARHQRNNMO-NXEZZACHSA-N -2 0 366.436 0.799 20 0 FCADRL CCN(CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])C(=O)OC(C)(C)C ZINC001605413482 1287951705 /nfs/dbraw/zinc/95/17/05/1287951705.db2.gz SQEKTARHQRNNMO-ZJUUUORDSA-N -2 0 366.436 0.799 20 0 FCADRL CCOC(=O)c1cn(C)nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001605576814 1288015922 /nfs/dbraw/zinc/01/59/22/1288015922.db2.gz BXOIGYFNSVPCHN-UHFFFAOYSA-N -2 0 354.344 0.491 20 0 FCADRL CCc1ccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])CC2=O)cc1 ZINC001605816423 1288093422 /nfs/dbraw/zinc/09/34/22/1288093422.db2.gz ORTDPEBSSVYWSX-PWSUYJOCSA-N -2 0 368.411 0.521 20 0 FCADRL CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)n1 ZINC001605934374 1288105223 /nfs/dbraw/zinc/10/52/23/1288105223.db2.gz IGUWNTXJMLYFHY-UHFFFAOYSA-N -2 0 370.362 0.491 20 0 FCADRL CCn1cnnc1-c1cccc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])c1 ZINC001605933219 1288105490 /nfs/dbraw/zinc/10/54/90/1288105490.db2.gz ZWZVNYNBOQMXEN-UHFFFAOYSA-N -2 0 361.358 0.816 20 0 FCADRL COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)C(=O)[O-] ZINC001606443058 1288321866 /nfs/dbraw/zinc/32/18/66/1288321866.db2.gz HPPYQQCTWRZPTF-MRVPVSSYSA-N -2 0 365.747 0.333 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(OC)cc2)on1 ZINC001606564518 1288388268 /nfs/dbraw/zinc/38/82/68/1288388268.db2.gz KPOSZRLXTVQLJV-LBPRGKRZSA-N -2 0 370.339 0.574 20 0 FCADRL COC(=O)c1cccc(CC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])c1 ZINC001606617123 1288410873 /nfs/dbraw/zinc/41/08/73/1288410873.db2.gz ZNDYGYPGTMOUOB-VHSXEESVSA-N -2 0 357.384 0.571 20 0 FCADRL COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC)cn1 ZINC001606628711 1288415381 /nfs/dbraw/zinc/41/53/81/1288415381.db2.gz SRJDIOLXVRISSJ-UHFFFAOYSA-N -2 0 367.339 0.771 20 0 FCADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N(C)CCC(=O)[O-] ZINC001606636156 1288419125 /nfs/dbraw/zinc/41/91/25/1288419125.db2.gz ARDOWFYEGPSPDZ-UHFFFAOYSA-N -2 0 351.358 0.328 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])n1C ZINC001606636975 1288419173 /nfs/dbraw/zinc/41/91/73/1288419173.db2.gz OUCLJEJORCIJAO-UHFFFAOYSA-N -2 0 373.368 0.085 20 0 FCADRL CO[C@H](C[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)[O-])C1CC1 ZINC001606668020 1288431172 /nfs/dbraw/zinc/43/11/72/1288431172.db2.gz GPZSLDGAFGRCHW-QWHCGFSZSA-N -2 0 357.384 0.931 20 0 FCADRL CO[C@@]1(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CCSC1 ZINC001606690276 1288444364 /nfs/dbraw/zinc/44/43/64/1288444364.db2.gz DVXMKTPDHULDRD-NSHDSACASA-N -2 0 351.427 0.773 20 0 FCADRL COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001606776888 1288507771 /nfs/dbraw/zinc/50/77/71/1288507771.db2.gz BFKJFUGWLONOKD-QMMMGPOBSA-N -2 0 353.299 0.383 20 0 FCADRL COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001606777078 1288508303 /nfs/dbraw/zinc/50/83/03/1288508303.db2.gz LQOYRKRZZVGPSA-JTQLQIEISA-N -2 0 351.764 0.758 20 0 FCADRL COC[C@@H](NC(=O)c1cc(Br)cc(C(=O)[O-])c1)c1nnn[n-]1 ZINC001606812605 1288529874 /nfs/dbraw/zinc/52/98/74/1288529874.db2.gz DCZBARRHGJPWLK-SECBINFHSA-N -2 0 370.163 0.778 20 0 FCADRL COCC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)C(=O)[O-] ZINC001606862963 1288541711 /nfs/dbraw/zinc/54/17/11/1288541711.db2.gz MCLTYHBSHYZUMH-VIFPVBQESA-N -2 0 351.764 0.806 20 0 FCADRL COCCO[N-]C(=O)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001606906568 1288559186 /nfs/dbraw/zinc/55/91/86/1288559186.db2.gz ABZKIKJTKCXVOK-UHFFFAOYSA-N -2 0 362.338 0.936 20 0 FCADRL O=C([O-])[C@H]1CCCCCN1S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001606960045 1288575411 /nfs/dbraw/zinc/57/54/11/1288575411.db2.gz FTDLOTQIXNNPTI-MRVPVSSYSA-N -2 0 357.417 0.946 20 0 FCADRL COCn1nc(C)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])n2)c1C ZINC001606985294 1288581273 /nfs/dbraw/zinc/58/12/73/1288581273.db2.gz RDBLOBAWSKPOAR-UHFFFAOYSA-N -2 0 354.388 0.927 20 0 FCADRL COc1c(S(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])oc2C)c(C)nn1C ZINC001607048838 1288617661 /nfs/dbraw/zinc/61/76/61/1288617661.db2.gz CIFLFBGHUWVAGB-UHFFFAOYSA-N -2 0 357.344 0.455 20 0 FCADRL COc1cc(OC)cc(S(=O)(=O)[N-]C(=O)Cn2cc(C(=O)[O-])cn2)c1 ZINC001607186108 1288680113 /nfs/dbraw/zinc/68/01/13/1288680113.db2.gz FLIQEXCHLADZLG-UHFFFAOYSA-N -2 0 369.355 0.104 20 0 FCADRL COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1 ZINC001607207172 1288684760 /nfs/dbraw/zinc/68/47/60/1288684760.db2.gz KLWVSOSSRWPCLK-MWLCHTKSSA-N -2 0 364.354 0.901 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@H](C)CCC(=O)[O-])c(OC)c1C(=O)[O-] ZINC001607286197 1288693763 /nfs/dbraw/zinc/69/37/63/1288693763.db2.gz UWVXRRAJZXUMCE-MRVPVSSYSA-N -2 0 361.372 0.934 20 0 FCADRL CS(=O)(=O)[N-]c1ccccc1C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001607376168 1288701871 /nfs/dbraw/zinc/70/18/71/1288701871.db2.gz NWZQXOPZMZWHAG-OAHLLOKOSA-N -2 0 367.383 0.504 20 0 FCADRL C[C@H](O)[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-])C(=O)[O-] ZINC001607461713 1288713367 /nfs/dbraw/zinc/71/33/67/1288713367.db2.gz QDJCBZGZKGZGQV-SSDLBLMSSA-N -2 0 371.289 0.516 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)nn2c1OCCC2 ZINC001607509152 1288721237 /nfs/dbraw/zinc/72/12/37/1288721237.db2.gz SQUZEZKBZFWPLY-UHFFFAOYSA-N -2 0 355.328 0.384 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])nn1C1CCOCC1 ZINC001607579783 1288727425 /nfs/dbraw/zinc/72/74/25/1288727425.db2.gz HHXUYAZHVSPWQX-MNOVXSKESA-N -2 0 373.431 0.712 20 0 FCADRL Cc1ccc(C2(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])CCOCC2)cc1 ZINC001607765765 1288738274 /nfs/dbraw/zinc/73/82/74/1288738274.db2.gz RVPNWXWJJOTWRZ-GFCCVEGCSA-N -2 0 355.412 0.962 20 0 FCADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccn(CC(=O)N(C)C)n1 ZINC001607927194 1288747296 /nfs/dbraw/zinc/74/72/96/1288747296.db2.gz GCHSLVKOHSUDES-UHFFFAOYSA-N -2 0 372.428 0.840 20 0 FCADRL Cc1nn(C)c(Br)c1C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001607996866 1288757532 /nfs/dbraw/zinc/75/75/32/1288757532.db2.gz QMSHCMWKDSELJH-RXMQYKEDSA-N -2 0 354.182 0.024 20 0 FCADRL Cn1cc(C(=O)[O-])c([C@H]2CCCN(S(=O)(=O)CCCC(=O)[O-])C2)n1 ZINC001608100051 1288768062 /nfs/dbraw/zinc/76/80/62/1288768062.db2.gz PEEQTWIHPOZISX-JTQLQIEISA-N -2 0 359.404 0.492 20 0 FCADRL Cn1cc([C@@H](NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C(=O)[O-])cn1 ZINC001608107525 1288770042 /nfs/dbraw/zinc/77/00/42/1288770042.db2.gz YHKJFCWJWKPAHA-GFCCVEGCSA-N -2 0 353.356 0.364 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)/C=C/c2ccccc2F)CC1 ZINC001608287082 1288813661 /nfs/dbraw/zinc/81/36/61/1288813661.db2.gz BORTYDJQEKGGNK-AATRIKPKSA-N -2 0 356.375 0.997 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)Cc2cn3c(n2)CCCC3)c1 ZINC001608368807 1288830929 /nfs/dbraw/zinc/83/09/29/1288830929.db2.gz AZKHJQQSOOGXRF-UHFFFAOYSA-N -2 0 363.395 0.965 20 0 FCADRL O=C([O-])c1cc(C(=O)[N-]S(=O)(=O)c2cccc3nsnc32)c[nH]1 ZINC001608485162 1288849401 /nfs/dbraw/zinc/84/94/01/1288849401.db2.gz ZQJXFMUVAQGKEM-UHFFFAOYSA-N -2 0 352.353 0.836 20 0 FCADRL O=C([O-])C1(c2ccc(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)cc2)CC1 ZINC001608581097 1288857805 /nfs/dbraw/zinc/85/78/05/1288857805.db2.gz GDCNMXJTIHSJFX-ZBEGNZNMSA-N -2 0 351.380 0.898 20 0 FCADRL O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C[C@@H]1c1ccccc1 ZINC001608630305 1288860173 /nfs/dbraw/zinc/86/01/73/1288860173.db2.gz GXFIZAOCNAODTN-HUUCEWRRSA-N -2 0 374.393 0.636 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCC2)c2ccccc2O1 ZINC001608645435 1288861014 /nfs/dbraw/zinc/86/10/14/1288861014.db2.gz TXNYRNTUDBPUCC-GFCCVEGCSA-N -2 0 355.368 0.923 20 0 FCADRL O=C([O-])CCCc1nnc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)s1 ZINC001608720004 1288869066 /nfs/dbraw/zinc/86/90/66/1288869066.db2.gz FOEIUKVDKHMNDH-XLKFXECMSA-N -2 0 370.387 0.510 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC001608718463 1288869217 /nfs/dbraw/zinc/86/92/17/1288869217.db2.gz VIJQWKRPGGCBRP-ZIAGYGMSSA-N -2 0 357.384 0.454 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CC[S@](=O)Cc2ccccc2)on1 ZINC001608861540 1288877115 /nfs/dbraw/zinc/87/71/15/1288877115.db2.gz YPFVLQQKCVQCRL-QFIPXVFZSA-N -2 0 358.397 0.600 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCC3(CCOCC3)[C@@H]2O)on1 ZINC001608860925 1288877853 /nfs/dbraw/zinc/87/78/53/1288877853.db2.gz HELHRHKBWJWXOV-BXKDBHETSA-N -2 0 360.388 0.219 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CN(c3ccc(F)cc3)C2=O)on1 ZINC001608860221 1288878023 /nfs/dbraw/zinc/87/80/23/1288878023.db2.gz AOXQGYCFXFGYNV-SNVBAGLBSA-N -2 0 355.303 0.206 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2ccnn2CC(F)F)c1 ZINC001608938217 1288879386 /nfs/dbraw/zinc/87/93/86/1288879386.db2.gz RYWLCMHTBTVKTK-UHFFFAOYSA-N -2 0 359.310 0.965 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2cn(C3CCC3)nn2)c1 ZINC001608937977 1288879486 /nfs/dbraw/zinc/87/94/86/1288879486.db2.gz CXDVNLHPVVJJEF-UHFFFAOYSA-N -2 0 350.356 0.820 20 0 FCADRL O=C([O-])c1cccc2c1cccc2S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC001608939195 1288880119 /nfs/dbraw/zinc/88/01/19/1288880119.db2.gz AALFDCJBYQXBKP-UHFFFAOYSA-N -2 0 363.351 0.735 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)c2cc3n(n2)CCCO3)c1 ZINC001608932645 1288880183 /nfs/dbraw/zinc/88/01/83/1288880183.db2.gz VPEUAKQYXLKYQW-UHFFFAOYSA-N -2 0 365.367 0.624 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1 ZINC001608932089 1288880207 /nfs/dbraw/zinc/88/02/07/1288880207.db2.gz LUSOTCLXYADDOD-VXGBXAGGSA-N -3 0 371.367 0.322 20 0 FCADRL O=C([O-])C(F)=C(Nc1ccc(Cl)cc1)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001609043710 1288886917 /nfs/dbraw/zinc/88/69/17/1288886917.db2.gz FHJDEBCSDHXQLM-QMMMGPOBSA-N -2 0 357.750 0.960 20 0 FCADRL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)[C@H](C)C(=O)[O-] ZINC001609125527 1288932134 /nfs/dbraw/zinc/93/21/34/1288932134.db2.gz DLFOKEUXMRZZMZ-NTSWFWBYSA-N -2 0 361.330 0.532 20 0 FCADRL CCCSC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)[O-] ZINC001609217522 1288992869 /nfs/dbraw/zinc/99/28/69/1288992869.db2.gz YGMYDLIYWYGYJQ-ZETCQYMHSA-N -2 0 361.405 0.334 20 0 FCADRL O=C(C[C@H]1CCCOC1)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001609521542 1289193416 /nfs/dbraw/zinc/19/34/16/1289193416.db2.gz YCMBYZCDGUMKTH-SECBINFHSA-N -2 0 359.346 0.475 20 0 FCADRL CC(=O)[C@H](C)CCCCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001609567805 1289230811 /nfs/dbraw/zinc/23/08/11/1289230811.db2.gz IZECKBHGZZBVQD-LLVKDONJSA-N -2 0 362.448 0.930 20 0 FCADRL CC(=O)Nc1cccc(CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001609625039 1289267250 /nfs/dbraw/zinc/26/72/50/1289267250.db2.gz IAOPULFWKPNEPE-ZJUUUORDSA-N -2 0 356.400 0.743 20 0 FCADRL C[C@H](C(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001609635813 1289269926 /nfs/dbraw/zinc/26/99/26/1289269926.db2.gz IUKHEBCRHRTYKL-MRVPVSSYSA-N -2 0 355.347 0.726 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1ccoc1 ZINC001609638523 1289270278 /nfs/dbraw/zinc/27/02/78/1289270278.db2.gz HORWIJCGSGRGIU-DTWKUNHWSA-N -2 0 355.372 0.849 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cncc(OCC(F)F)c1 ZINC001609639484 1289270606 /nfs/dbraw/zinc/27/06/06/1289270606.db2.gz YLALARPDJDRRLE-HTQZYQBOSA-N -2 0 366.342 0.894 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(F)cc1 ZINC001609638961 1289270694 /nfs/dbraw/zinc/27/06/94/1289270694.db2.gz OSEGZDUOCKLYPT-ZJUUUORDSA-N -2 0 374.390 0.501 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2ccccc2c(=O)n1C ZINC001609639305 1289270741 /nfs/dbraw/zinc/27/07/41/1289270741.db2.gz VETBYQDWBDECEG-UWVGGRQHSA-N -2 0 366.395 0.707 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CCc1cccc2c1OCO2 ZINC001609638700 1289270754 /nfs/dbraw/zinc/27/07/54/1289270754.db2.gz JSYQJSWBRPJKBT-NXEZZACHSA-N -2 0 357.384 0.903 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1cccnc1 ZINC001609639373 1289270860 /nfs/dbraw/zinc/27/08/60/1289270860.db2.gz WDZGWQINLHMPTP-ZJUUUORDSA-N -2 0 366.399 0.651 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1C(F)(F)F ZINC001609638762 1289270906 /nfs/dbraw/zinc/27/09/06/1289270906.db2.gz KYNFSVQMPPPCRQ-RITPCOANSA-N -2 0 357.310 0.608 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)c1ccsc1 ZINC001609639474 1289271027 /nfs/dbraw/zinc/27/10/27/1289271027.db2.gz YDGVUYLNAVHRLF-IUCAKERBSA-N -2 0 362.429 0.423 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccccc1CN1CCOCC1 ZINC001609643484 1289271505 /nfs/dbraw/zinc/27/15/05/1289271505.db2.gz NKTPRJVLEHKHPK-LLVKDONJSA-N -2 0 356.400 0.052 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCn1c(=O)oc2ccccc21 ZINC001609642375 1289271671 /nfs/dbraw/zinc/27/16/71/1289271671.db2.gz PMMRUUOFFWCAPM-SECBINFHSA-N -2 0 356.356 0.294 20 0 FCADRL CC(C)C(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001609682524 1289278751 /nfs/dbraw/zinc/27/87/51/1289278751.db2.gz RDTONJSGJCFWAO-SECBINFHSA-N -2 0 374.440 0.898 20 0 FCADRL CC(C)NC(=O)Nc1ccccc1C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001609707302 1289283433 /nfs/dbraw/zinc/28/34/33/1289283433.db2.gz CUFJMDRKLBYGIF-SECBINFHSA-N -2 0 357.388 0.749 20 0 FCADRL C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001609734503 1289287601 /nfs/dbraw/zinc/28/76/01/1289287601.db2.gz AWFIPGPSVJQKKF-SECBINFHSA-N -2 0 363.363 0.299 20 0 FCADRL C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001609734750 1289287702 /nfs/dbraw/zinc/28/77/02/1289287702.db2.gz MOVURQUWNHJYFK-ZETCQYMHSA-N -2 0 366.779 0.279 20 0 FCADRL C[C@H]1C(=O)CC[C@H](C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1(C)C ZINC001609829632 1289307197 /nfs/dbraw/zinc/30/71/97/1289307197.db2.gz DBVBLZRSRYVJAR-CMPLNLGQSA-N -2 0 374.459 0.785 20 0 FCADRL C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001609838282 1289308622 /nfs/dbraw/zinc/30/86/22/1289308622.db2.gz XJMVNBQJMLLKBV-ZJUUUORDSA-N -2 0 364.420 0.553 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCN1c2ccccc2O[C@H](C)C1=O ZINC001609879785 1289324382 /nfs/dbraw/zinc/32/43/82/1289324382.db2.gz HORDTLNXAJNCFW-NXEZZACHSA-N -2 0 370.383 0.110 20 0 FCADRL CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)C(=O)[O-] ZINC001609958995 1289333493 /nfs/dbraw/zinc/33/34/93/1289333493.db2.gz XUSCZPUROIZYOQ-MWLCHTKSSA-N -2 0 367.326 0.556 20 0 FCADRL CCOC(=O)c1cn(C)nc1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001610024461 1289351057 /nfs/dbraw/zinc/35/10/57/1289351057.db2.gz XBYFIVNTFKCNEF-UHFFFAOYSA-N -2 0 360.373 0.552 20 0 FCADRL CCO[C@H]1C[C@](NS(=O)(=O)c2ccc(C(=O)[O-])o2)(C(=O)[O-])C1(C)C ZINC001610030363 1289351774 /nfs/dbraw/zinc/35/17/74/1289351774.db2.gz JMCJUAQLLIOCNY-XPTSAGLGSA-N -2 0 361.372 0.915 20 0 FCADRL CCO[C@@H]1C[C@](NS(=O)(=O)CC(C)(C)C(=O)[O-])(C(=O)[O-])C1(C)C ZINC001610031820 1289352149 /nfs/dbraw/zinc/35/21/49/1289352149.db2.gz PNBGDEBOJFYWHW-OTYXRUKQSA-N -2 0 351.421 0.675 20 0 FCADRL CCc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)OC)cc1C(=O)[O-] ZINC001610063345 1289360514 /nfs/dbraw/zinc/36/05/14/1289360514.db2.gz YBWUSXJXCWBMSA-LLVKDONJSA-N -2 0 359.356 0.242 20 0 FCADRL CCn1cc(Br)cc1C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001610087147 1289366115 /nfs/dbraw/zinc/36/61/15/1289366115.db2.gz XMDFYEVLIRPSIK-UHFFFAOYSA-N -2 0 353.194 0.805 20 0 FCADRL CN([C@@H](CC(C)(C)C)C(=O)[O-])S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001610093536 1289368049 /nfs/dbraw/zinc/36/80/49/1289368049.db2.gz NBXFCJVSDUMNQG-NSHDSACASA-N -2 0 350.437 0.849 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC001610115093 1289378662 /nfs/dbraw/zinc/37/86/62/1289378662.db2.gz JPMPXEMJJLKJFW-NSHDSACASA-N -2 0 366.342 0.722 20 0 FCADRL COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001610150017 1289400015 /nfs/dbraw/zinc/40/00/15/1289400015.db2.gz AIYCHYBDSUCHRX-MNOVXSKESA-N -2 0 371.411 0.961 20 0 FCADRL COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC001610151074 1289401101 /nfs/dbraw/zinc/40/11/01/1289401101.db2.gz MXCCGIWJSIDWRS-NSHDSACASA-N -2 0 371.367 0.168 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])c(C(=O)[O-])s1 ZINC001610203836 1289425328 /nfs/dbraw/zinc/42/53/28/1289425328.db2.gz GFRKSNKFMCQBMD-RXMQYKEDSA-N -2 0 351.358 0.327 20 0 FCADRL COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c(F)c1 ZINC001610208019 1289426911 /nfs/dbraw/zinc/42/69/11/1289426911.db2.gz ZTNFAUIUTSRMRG-UHFFFAOYSA-N -2 0 361.347 0.783 20 0 FCADRL COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001610246633 1289437711 /nfs/dbraw/zinc/43/77/11/1289437711.db2.gz FNXQWZARYDNTGQ-SNVBAGLBSA-N -2 0 367.383 0.665 20 0 FCADRL COCCOc1cc(OC)ccc1C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001610262121 1289441783 /nfs/dbraw/zinc/44/17/83/1289441783.db2.gz ASLLIOKUBQSBGA-VIFPVBQESA-N -2 0 361.372 0.253 20 0 FCADRL COCCO[N-]C(=O)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001610262542 1289443328 /nfs/dbraw/zinc/44/33/28/1289443328.db2.gz VDNWFCOBWDXMLM-UHFFFAOYSA-N -2 0 361.148 0.780 20 0 FCADRL COCCOc1ccc(S(=O)(=O)[N-]c2nnc(CC(=O)[O-])[nH]2)cc1C ZINC001610264510 1289444055 /nfs/dbraw/zinc/44/40/55/1289444055.db2.gz XOIKYCIPCIQTBA-UHFFFAOYSA-N -2 0 370.387 0.566 20 0 FCADRL COc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])cc2c1OCCO2 ZINC001610283489 1289451127 /nfs/dbraw/zinc/45/11/27/1289451127.db2.gz XHDLACKFWIIEEX-DTWKUNHWSA-N -2 0 373.383 0.635 20 0 FCADRL COc1ccc(S(=O)(=O)N(C)C[C@H](C)C(=O)[O-])c(OC)c1C(=O)[O-] ZINC001610346111 1289466426 /nfs/dbraw/zinc/46/64/26/1289466426.db2.gz VPCVEJBKDFZHGO-QMMMGPOBSA-N -2 0 361.372 0.743 20 0 FCADRL C[C@H](NS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1)C(=O)[O-] ZINC001610395037 1289479728 /nfs/dbraw/zinc/47/97/28/1289479728.db2.gz JESOGFQWCPKRAJ-YFKPBYRVSA-N -2 0 352.162 0.899 20 0 FCADRL Cc1c(NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])cnn1CC(=O)[O-] ZINC001610420232 1289483968 /nfs/dbraw/zinc/48/39/68/1289483968.db2.gz IZFNDKBSPMTBAM-JTQLQIEISA-N -2 0 354.363 0.078 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cnn1CC(=O)[O-] ZINC001610426791 1289486229 /nfs/dbraw/zinc/48/62/29/1289486229.db2.gz DTDAUWFSHIZQAM-UHFFFAOYSA-N -2 0 366.355 0.522 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)c1C ZINC001610439903 1289488500 /nfs/dbraw/zinc/48/85/00/1289488500.db2.gz IYIUWPCAICIPAJ-GWCFXTLKSA-N -2 0 357.384 0.770 20 0 FCADRL Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC001610477398 1289492961 /nfs/dbraw/zinc/49/29/61/1289492961.db2.gz USQNGGCVRIURHC-CYBMUJFWSA-N -2 0 352.343 0.622 20 0 FCADRL Cc1cccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])CC2=O)c1C ZINC001610524090 1289500612 /nfs/dbraw/zinc/50/06/12/1289500612.db2.gz ARKOEYAFRMFIKQ-NEPJUHHUSA-N -2 0 368.411 0.575 20 0 FCADRL Cc1ccn2cc(C(=O)[N-]S(=O)(=O)c3scnc3C(=O)[O-])nc2c1 ZINC001610535025 1289502692 /nfs/dbraw/zinc/50/26/92/1289502692.db2.gz OXJKBIGHBOHUPJ-UHFFFAOYSA-N -2 0 366.380 0.916 20 0 FCADRL Cc1nc(CSCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cs1 ZINC001610555789 1289508978 /nfs/dbraw/zinc/50/89/78/1289508978.db2.gz IFLZZIPIRWQVHM-UHFFFAOYSA-N -2 0 352.459 0.996 20 0 FCADRL Cc1nn(C)c(C)c1C[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC001610568917 1289513567 /nfs/dbraw/zinc/51/35/67/1289513567.db2.gz ONZLNCKQRJHEMV-YGOYTEALSA-N -2 0 359.448 0.771 20 0 FCADRL Cn1cc(C[C@@H](NS(=O)(=O)c2ccc(F)cc2C(=O)[O-])C(=O)[O-])cn1 ZINC001610603984 1289523657 /nfs/dbraw/zinc/52/36/57/1289523657.db2.gz YXFDEQHPBVLVEC-LLVKDONJSA-N -2 0 371.346 0.232 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c(C(F)(F)F)n1 ZINC001610605359 1289525143 /nfs/dbraw/zinc/52/51/43/1289525143.db2.gz BMPFCNQNTYVBDL-UHFFFAOYSA-N -2 0 353.282 0.521 20 0 FCADRL Cn1cnnc1-c1ccnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC001610611851 1289527595 /nfs/dbraw/zinc/52/75/95/1289527595.db2.gz CNFNYYJJGNNTGO-UHFFFAOYSA-N -2 0 360.355 0.771 20 0 FCADRL Cn1nc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])c2c1CCCC2 ZINC001610613872 1289528768 /nfs/dbraw/zinc/52/87/68/1289528768.db2.gz ZFZWLRHQZVTFIB-UHFFFAOYSA-N -2 0 370.412 0.572 20 0 FCADRL O=C([O-])[C@H]1CN(C(=O)C(=O)[N-]O[C@@H]2CCCCO2)c2ccccc2O1 ZINC001610699461 1289560731 /nfs/dbraw/zinc/56/07/31/1289560731.db2.gz BLJPUYWMLONLNK-CHWSQXEVSA-N -2 0 350.327 0.440 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)C2CCC(F)(F)CC2)CC1 ZINC001610744975 1289575966 /nfs/dbraw/zinc/57/59/66/1289575966.db2.gz KQSYNAIDHFKVFW-UHFFFAOYSA-N -2 0 354.375 0.970 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cccnc1OCC(F)(F)F ZINC001610771597 1289586699 /nfs/dbraw/zinc/58/66/99/1289586699.db2.gz KOLXQZSJULLLCP-UHFFFAOYSA-N -2 0 370.305 0.947 20 0 FCADRL O=C([O-])CCCS(=O)(=O)N1CCN([C@H](C(=O)[O-])c2ccccc2)CC1 ZINC001610771403 1289586707 /nfs/dbraw/zinc/58/67/07/1289586707.db2.gz UQNNPDPQMXOFFI-HNNXBMFYSA-N -2 0 370.427 0.625 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)c1ccc(CN2CCCCC2=O)cc1 ZINC001610775325 1289587324 /nfs/dbraw/zinc/58/73/24/1289587324.db2.gz QIGDJCJHJICCFM-UHFFFAOYSA-N -2 0 368.411 0.733 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC001610775227 1289587852 /nfs/dbraw/zinc/58/78/52/1289587852.db2.gz JTEXRVISDDJKQE-VIFPVBQESA-N -2 0 358.347 0.099 20 0 FCADRL O=C([O-])C[N@@H+]1CCCN(S(=O)(=O)CC2(C(=O)[O-])CCCCC2)CC1 ZINC001610782080 1289589818 /nfs/dbraw/zinc/58/98/18/1289589818.db2.gz VICAXFJDFUSQLT-UHFFFAOYSA-N -2 0 362.448 0.444 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])cn1 ZINC001610801582 1289598631 /nfs/dbraw/zinc/59/86/31/1289598631.db2.gz YOXZDLGSZMTAFB-LLVKDONJSA-N -2 0 359.404 0.527 20 0 FCADRL O=C([O-])c1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)on1 ZINC001610810122 1289599166 /nfs/dbraw/zinc/59/91/66/1289599166.db2.gz PJZUHSOKBVDUAM-UHFFFAOYSA-N -2 0 368.323 0.653 20 0 FCADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC001610810844 1289599924 /nfs/dbraw/zinc/59/99/24/1289599924.db2.gz PGPCNLDSTVXREZ-NSHDSACASA-N -2 0 373.774 0.736 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])c[nH]1 ZINC001610816347 1289600775 /nfs/dbraw/zinc/60/07/75/1289600775.db2.gz QXLGTRUNXOBNLX-GFCCVEGCSA-N -2 0 356.331 0.826 20 0 FCADRL O=C([O-])c1ccc(F)c(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)[O-])c1 ZINC001610831822 1289602368 /nfs/dbraw/zinc/60/23/68/1289602368.db2.gz BIUDAMMCYZUNNM-GZMMTYOYSA-N -2 0 361.347 0.682 20 0 FCADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC001610832835 1289602731 /nfs/dbraw/zinc/60/27/31/1289602731.db2.gz WNHZZTNGMJDLBU-LDYMZIIASA-N -2 0 363.775 0.806 20 0 FCADRL O=C([O-])c1ccc(F)c(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC001610832117 1289602814 /nfs/dbraw/zinc/60/28/14/1289602814.db2.gz NIQLKQVKIWSURH-VIFPVBQESA-N -2 0 370.362 0.916 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001644299341 1290952603 /nfs/dbraw/zinc/95/26/03/1290952603.db2.gz NAWAZTGDMJNKGI-JTQLQIEISA-N -2 0 350.404 0.591 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1C(=O)[O-] ZINC000324844966 836037049 /nfs/dbraw/zinc/03/70/49/836037049.db2.gz IYFOOXHWDORYRC-UHFFFAOYSA-N -2 0 373.412 0.654 20 0 FCADRL COC(=O)c1n[nH]c(C)c1NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148916722 849620705 /nfs/dbraw/zinc/62/07/05/849620705.db2.gz DDBADPDYYIWKHF-UHFFFAOYSA-N -2 0 355.328 0.709 20 0 FCADRL NC(=O)Cc1cccc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c1 ZINC001148926814 849622029 /nfs/dbraw/zinc/62/20/29/849622029.db2.gz WCWWVZNQOJCIPQ-UHFFFAOYSA-N -2 0 350.352 0.919 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cn2ccc(Br)cc2n1 ZINC001149969265 849651392 /nfs/dbraw/zinc/65/13/92/849651392.db2.gz NHWSLMOLAOGSJA-UHFFFAOYSA-N -2 0 364.092 0.936 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cn2c(n1)CC[C@@H](C(F)(F)F)C2 ZINC001153961067 849771110 /nfs/dbraw/zinc/77/11/10/849771110.db2.gz MJXNWBXWVASAHR-SSDOTTSWSA-N -2 0 357.225 0.847 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cnc2cc(Br)ccn21 ZINC001155359057 849848063 /nfs/dbraw/zinc/84/80/63/849848063.db2.gz TZHZULGDBWBJBX-UHFFFAOYSA-N -2 0 364.092 0.936 20 0 FCADRL O=P([O-])([O-])OCCNc1ncccc1S(=O)(=O)N1CCCC1 ZINC001157791730 849995966 /nfs/dbraw/zinc/99/59/66/849995966.db2.gz SBBWXALIBMKPHV-UHFFFAOYSA-N -2 0 351.321 0.387 20 0 FCADRL Nc1nc(NCCOP(=O)([O-])[O-])ccc1I ZINC001168590908 850590378 /nfs/dbraw/zinc/59/03/78/850590378.db2.gz BDCJBEVEBNETPL-UHFFFAOYSA-N -2 0 359.060 0.790 20 0 FCADRL O=P([O-])([O-])OCCNc1ccc(S(=O)(=O)NCC2CC2)cn1 ZINC001168590207 850590424 /nfs/dbraw/zinc/59/04/24/850590424.db2.gz VWOWXIKQGICFMH-UHFFFAOYSA-N -2 0 351.321 0.291 20 0 FCADRL O=C1CC[C@H](c2cc(Cl)nc(NCCOP(=O)([O-])[O-])n2)CN1 ZINC001168589343 850590558 /nfs/dbraw/zinc/59/05/58/850590558.db2.gz HNLGKZCEICFLDV-ZETCQYMHSA-N -2 0 350.699 0.645 20 0 FCADRL CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)NCCOP(=O)([O-])[O-])C1 ZINC001179284683 850967122 /nfs/dbraw/zinc/96/71/22/850967122.db2.gz YWRYLDWETWEFPV-HZMBPMFUSA-N -2 0 364.335 0.859 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)NCCOP(=O)([O-])[O-])C1 ZINC001179486182 850977876 /nfs/dbraw/zinc/97/78/76/850977876.db2.gz BARWUTVWJHVZQL-HZMBPMFUSA-N -2 0 364.335 0.859 20 0 FCADRL CC(=O)Nc1ccc(C(=O)CCC(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001182074059 851149392 /nfs/dbraw/zinc/14/93/92/851149392.db2.gz CFMCYMZXUPWASH-UHFFFAOYSA-N -2 0 358.287 0.833 20 0 FCADRL CC(C)(C)OC(=O)N1[C@H](C(=O)NCCOP(=O)([O-])[O-])COC1(C)C ZINC001184025361 851284469 /nfs/dbraw/zinc/28/44/69/851284469.db2.gz OSZJEAXRTQGKAL-VIFPVBQESA-N -2 0 368.323 0.584 20 0 FCADRL CCOC(=O)c1sc(S(=O)(=O)[N-][C@H]2SC(=O)[N-]C2=O)nc1C ZINC001184977093 851331932 /nfs/dbraw/zinc/33/19/32/851331932.db2.gz ZOSWZGAQUSBWPF-ZETCQYMHSA-N -2 0 365.414 0.216 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])C1(CC2CC2)CCS(=O)(=O)CC1 ZINC001185367624 851355265 /nfs/dbraw/zinc/35/52/65/851355265.db2.gz QWZABHGFVFZUDQ-UHFFFAOYSA-N -2 0 355.349 0.207 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc(OC3COC3)nc2)ccc1F ZINC001186144548 851415098 /nfs/dbraw/zinc/41/50/98/851415098.db2.gz ZNEFLYWSEVFVQO-UHFFFAOYSA-N -2 0 369.330 0.892 20 0 FCADRL CCOCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1 ZINC001187238020 851530411 /nfs/dbraw/zinc/53/04/11/851530411.db2.gz OTNMLTFSNYICNZ-UHFFFAOYSA-N -2 0 350.418 0.290 20 0 FCADRL COC(=O)CC[C@H]1COCCN1C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189886200 851837010 /nfs/dbraw/zinc/83/70/10/851837010.db2.gz ASJORQLUGDIQKE-NSHDSACASA-N -2 0 373.298 0.952 20 0 FCADRL O=C([O-])c1cc(C(=O)Nc2[nH]nc3nccnc32)cc(S(=O)(=O)[O-])c1 ZINC001189915794 851842301 /nfs/dbraw/zinc/84/23/01/851842301.db2.gz WEFIAPVPZYRXEP-UHFFFAOYSA-N -2 0 363.311 0.502 20 0 FCADRL CCN=c1ccc(N)cn1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189913940 851842318 /nfs/dbraw/zinc/84/23/18/851842318.db2.gz BKHRJMZQQQLJSX-UHFFFAOYSA-N -2 0 365.367 0.624 20 0 FCADRL O=C([O-])c1cc(C(=O)NCc2ncccc2O)cc(S(=O)(=O)[O-])c1 ZINC001189934286 851845713 /nfs/dbraw/zinc/84/57/13/851845713.db2.gz SDHGEQPPSOYYDZ-UHFFFAOYSA-N -2 0 352.324 0.662 20 0 FCADRL O=C([O-])c1cc(C(=O)N[C@@H](CO)C(F)(F)F)cc(S(=O)(=O)[O-])c1 ZINC001189934515 851846193 /nfs/dbraw/zinc/84/61/93/851846193.db2.gz VHNFDFVDAPEEDW-QMMMGPOBSA-N -2 0 357.262 0.285 20 0 FCADRL O=C([O-])c1cc(C(=O)NC2(c3cnccn3)CC2)cc(S(=O)(=O)[O-])c1 ZINC001189941357 851847739 /nfs/dbraw/zinc/84/77/39/851847739.db2.gz JODJGBNDGFZQSH-UHFFFAOYSA-N -2 0 363.351 0.841 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c(C(N)=O)nn1C ZINC001192686338 852277330 /nfs/dbraw/zinc/27/73/30/852277330.db2.gz PGLZQVADRZICMA-UHFFFAOYSA-N -2 0 368.371 0.092 20 0 FCADRL O=C([O-])COc1ccc(S(=O)(=O)NCC[N-]C(=O)C(F)(F)F)cc1 ZINC001192733838 852285227 /nfs/dbraw/zinc/28/52/27/852285227.db2.gz FORAYKQUZHWLFN-UHFFFAOYSA-N -2 0 370.305 0.107 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@H]2SC(=O)[N-]C2=O)c(F)cc1F ZINC001195250168 852731889 /nfs/dbraw/zinc/73/18/89/852731889.db2.gz VBVRCSDOGAKKGQ-QMMMGPOBSA-N -2 0 352.296 0.250 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)NCCOP(=O)([O-])[O-])c(F)cc1F ZINC001195255493 852732967 /nfs/dbraw/zinc/73/29/67/852732967.db2.gz XECYETLHOWTLMR-UHFFFAOYSA-N -3 0 361.215 0.051 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccccn2)c([O-])c1 ZINC001197822259 853167978 /nfs/dbraw/zinc/16/79/78/853167978.db2.gz YZOPQLVBJIPRGK-UHFFFAOYSA-N -2 0 371.440 0.979 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cnccc1OCC1CCOCC1 ZINC001198856312 853336808 /nfs/dbraw/zinc/33/68/08/853336808.db2.gz QPMHTBGYBJAAOM-UHFFFAOYSA-N -2 0 360.303 0.726 20 0 FCADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(Nc2cnn3cccnc23)c1 ZINC001205986689 853650547 /nfs/dbraw/zinc/65/05/47/853650547.db2.gz DTGKLMSAFLXZOS-UHFFFAOYSA-N -2 0 370.368 0.966 20 0 FCADRL CCOC(=O)[C@@H](OC(=O)[C@H](O)COP(=O)([O-])[O-])c1ccccc1F ZINC001224152778 856963200 /nfs/dbraw/zinc/96/32/00/856963200.db2.gz BUJAOJANYHYIJJ-MNOVXSKESA-N -2 0 366.234 0.443 20 0 FCADRL COC(=O)c1ccc(C)cc1COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001224205659 856969179 /nfs/dbraw/zinc/96/91/79/856969179.db2.gz ZRAKUSIYEZEYTB-WCQYABFASA-N -2 0 354.311 0.361 20 0 FCADRL O=C(CCCOC(=O)[C@H](O)COP(=O)([O-])[O-])OCc1ccccc1 ZINC001224735904 856999618 /nfs/dbraw/zinc/99/96/18/856999618.db2.gz BJXCWQIVAJOMRE-GFCCVEGCSA-N -2 0 362.271 0.523 20 0 FCADRL C[C@H](COCc1ccccc1)COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225002455 857012549 /nfs/dbraw/zinc/01/25/49/857012549.db2.gz DGBRJIHHMAYFDF-KYOSRNDESA-N -2 0 354.355 0.919 20 0 FCADRL CC(C)(C)OC(=O)NCC(C)(C)COC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001225065004 857017265 /nfs/dbraw/zinc/01/72/65/857017265.db2.gz QOOBQEQWDNPKSG-SECBINFHSA-N -2 0 371.323 0.551 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc(O)ccc1Br)[C@@H](O)C(=O)[O-] ZINC001225811046 857062924 /nfs/dbraw/zinc/06/29/24/857062924.db2.gz NZLHVOGDPLISOT-QUBYGPBYSA-N -2 0 363.116 0.597 20 0 FCADRL Cc1cc(Br)cnc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001226092093 857084235 /nfs/dbraw/zinc/08/42/35/857084235.db2.gz VFCGPOAPAWUFGL-VXNVDRBHSA-N -2 0 362.132 0.594 20 0 FCADRL COC(=O)/C=C/c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001226249129 857093991 /nfs/dbraw/zinc/09/39/91/857093991.db2.gz QXZNEOKHRNYORJ-VKNKMKLNSA-N -2 0 352.295 0.315 20 0 FCADRL COC(=O)c1cc(Cl)ccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001226311281 857097668 /nfs/dbraw/zinc/09/76/68/857097668.db2.gz OUXDOSHUUSXPSZ-KCJUWKMLSA-N -2 0 360.702 0.568 20 0 FCADRL Cc1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc(C(F)(F)F)n1 ZINC001226679772 857121076 /nfs/dbraw/zinc/12/10/76/857121076.db2.gz RKVMLNJEJKIHHY-SVGQVSJJSA-N -2 0 352.221 0.246 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ncnc2cc(F)cc(F)c21)[C@H](O)C(=O)[O-] ZINC001226826414 857127805 /nfs/dbraw/zinc/12/78/05/857127805.db2.gz JZEYDOFNJVQWAR-KGFZYKRKSA-N -2 0 356.237 0.350 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ncnc2cnc(Cl)cc21)[C@@H](O)C(=O)[O-] ZINC001226966512 857134920 /nfs/dbraw/zinc/13/49/20/857134920.db2.gz KFSFCKXYIOCKOL-LHLIQPBNSA-N -2 0 355.690 0.120 20 0 FCADRL CCc1cc2c(ncnc2OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])s1 ZINC001227100611 857141296 /nfs/dbraw/zinc/14/12/96/857141296.db2.gz KCKOMQWNNLZQTP-XVKPBYJWSA-N -2 0 354.340 0.696 20 0 FCADRL CCOC(=O)c1cccc(O)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227158933 857146725 /nfs/dbraw/zinc/14/67/25/857146725.db2.gz ACEDBDNBXFTHFJ-KWQFWETISA-N -2 0 356.283 0.011 20 0 FCADRL O=C(Oc1ncc(Br)cc1F)[C@H](O)COP(=O)([O-])[O-] ZINC001227401042 857158472 /nfs/dbraw/zinc/15/84/72/857158472.db2.gz CVZLGZOKGIFENP-ZCFIWIBFSA-N -2 0 360.028 0.359 20 0 FCADRL CC(C)OC(=O)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227614597 857166708 /nfs/dbraw/zinc/16/67/08/857166708.db2.gz IHBAHFWVTJQCFG-ZWNOBZJWSA-N -2 0 354.311 0.694 20 0 FCADRL Cc1ccnc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1Br ZINC001227904805 857183644 /nfs/dbraw/zinc/18/36/44/857183644.db2.gz RSJDSMXETAPHSU-ZCFIWIBFSA-N -2 0 356.065 0.528 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1nc(Cl)nc2ccccc21)[C@@H](O)C(=O)[O-] ZINC001228033890 857189681 /nfs/dbraw/zinc/18/96/81/857189681.db2.gz JUXRKCVXAFFDTG-GMSGAONNSA-N -2 0 354.702 0.725 20 0 FCADRL Cc1cnc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(Br)c1 ZINC001228172294 857194191 /nfs/dbraw/zinc/19/41/91/857194191.db2.gz SQRBBNGETXSIEL-HZGVNTEJSA-N -2 0 362.132 0.594 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(F)nc1Br)[C@@H](O)C(=O)[O-] ZINC001228614345 857218243 /nfs/dbraw/zinc/21/82/43/857218243.db2.gz OGOVWWNSLJCVRO-RNHFCUEFSA-N -2 0 366.095 0.425 20 0 FCADRL Cc1nc(Br)ccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228706161 857224568 /nfs/dbraw/zinc/22/45/68/857224568.db2.gz GWYJDUIEWSKPTN-LDWIPMOCSA-N -2 0 362.132 0.594 20 0 FCADRL CSc1nc2c(c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1)CCCC2 ZINC001229161609 857255148 /nfs/dbraw/zinc/25/51/48/857255148.db2.gz OVESZAWXJZZLNX-KWQFWETISA-N -2 0 370.383 0.519 20 0 FCADRL Cc1nc2cnc(Cl)cc2c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001229279270 857263404 /nfs/dbraw/zinc/26/34/04/857263404.db2.gz YGCUXIYAYBEWHD-RDDDGLTNSA-N -2 0 369.717 0.428 20 0 FCADRL Cc1csc2nc(=S)[nH]c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c12 ZINC001229352507 857265793 /nfs/dbraw/zinc/26/57/93/857265793.db2.gz IAEVPSAMQGBEGP-SVGQVSJJSA-N -2 0 372.380 0.730 20 0 FCADRL CO[C@H](C)CCOc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-] ZINC001230145487 857307617 /nfs/dbraw/zinc/30/76/17/857307617.db2.gz AEZVVOCSIFCLQR-SSDOTTSWSA-N -2 0 356.374 0.689 20 0 FCADRL COC(=O)c1c(C)cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1C ZINC001230308106 857324498 /nfs/dbraw/zinc/32/44/98/857324498.db2.gz KKNUBMKNNJYCMX-GXFFZTMASA-N -2 0 354.311 0.532 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc(O)cc(Br)c1)[C@H](O)C(=O)[O-] ZINC001231016324 857353615 /nfs/dbraw/zinc/35/36/15/857353615.db2.gz XADZNXLGRRMTQX-WPRPVWTQSA-N -2 0 363.116 0.597 20 0 FCADRL CCCOC(=O)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001231341118 857359526 /nfs/dbraw/zinc/35/95/26/857359526.db2.gz UJZONRMCPPBISO-GWCFXTLKSA-N -2 0 354.311 0.695 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc(=O)[nH]c2ccc(F)cc21)[C@@H](O)C(=O)[O-] ZINC001231391843 857360336 /nfs/dbraw/zinc/36/03/36/857360336.db2.gz KYLWWSHMSBMZAJ-ISVAXAHUSA-N -2 0 353.258 0.521 20 0 FCADRL O=C(Oc1cnc(F)c(Br)c1)[C@H](O)COP(=O)([O-])[O-] ZINC001233672585 857389177 /nfs/dbraw/zinc/38/91/77/857389177.db2.gz ZZKSGRRZVBCFAH-ZCFIWIBFSA-N -2 0 360.028 0.359 20 0 FCADRL COC(=O)c1cc(F)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(F)c1 ZINC001234010104 857393956 /nfs/dbraw/zinc/39/39/56/857393956.db2.gz LQBUCHZVHGFAAC-MRVPVSSYSA-N -2 0 356.170 0.127 20 0 FCADRL COC(=O)c1cc2ccccc2nc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001234054317 857395173 /nfs/dbraw/zinc/39/51/73/857395173.db2.gz BUSVOSWAGLHXIU-LLVKDONJSA-N -2 0 371.238 0.397 20 0 FCADRL CC(C)Oc1ncc(Cl)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234311442 857401217 /nfs/dbraw/zinc/40/12/17/857401217.db2.gz JMZVCXRGMDKPDU-KWQFWETISA-N -2 0 361.734 0.964 20 0 FCADRL COC(=O)c1c(F)ccc(F)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234306505 857401368 /nfs/dbraw/zinc/40/13/68/857401368.db2.gz XLAXKANELLODBA-FWOIEVBISA-N -2 0 362.237 0.193 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc([C@@H]2CCC(=O)N2)cc1)[C@@H](O)C(=O)[O-] ZINC001234485734 857407273 /nfs/dbraw/zinc/40/72/73/857407273.db2.gz KDUVJMHUZQPFRQ-COPLHBTASA-N -2 0 351.311 0.080 20 0 FCADRL COC(=O)c1cc2c(c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1)CCCC2 ZINC001234866297 857414017 /nfs/dbraw/zinc/41/40/17/857414017.db2.gz LODIXKXAYDHOCE-GFCCVEGCSA-N -2 0 374.282 0.728 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccn1 ZINC001260191183 858352391 /nfs/dbraw/zinc/35/23/91/858352391.db2.gz DNENNXOOOKTFRY-CYBMUJFWSA-N -2 0 350.352 0.972 20 0 FCADRL NC(=O)c1ccc(F)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260210541 858355130 /nfs/dbraw/zinc/35/51/30/858355130.db2.gz ZEHFULTYSQCGMJ-UHFFFAOYSA-N -2 0 357.294 0.958 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(F)(F)F ZINC001260219157 858356711 /nfs/dbraw/zinc/35/67/11/858356711.db2.gz HEMOSNZULVBHNJ-QMMMGPOBSA-N -2 0 359.253 0.906 20 0 FCADRL CS(=O)(=O)CS(=O)(=O)Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001260592667 858394014 /nfs/dbraw/zinc/39/40/14/858394014.db2.gz MFBIXNIWSZWYQR-UHFFFAOYSA-N -2 0 363.822 0.331 20 0 FCADRL CCO[N-]C(=O)CNC(=O)NCc1c(F)cccc1NS(C)(=O)=O ZINC001261511268 858573066 /nfs/dbraw/zinc/57/30/66/858573066.db2.gz ZXOYVWHYCASKDJ-UHFFFAOYSA-N -2 0 362.383 0.064 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001302753955 866350297 /nfs/dbraw/zinc/35/02/97/866350297.db2.gz ZBMYYFPFTQMVPH-UHFFFAOYSA-N -2 0 368.394 0.730 20 0 FCADRL COCc1noc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1 ZINC001329925999 872366707 /nfs/dbraw/zinc/36/67/07/872366707.db2.gz PUVBRBPNRCZPHO-GMSGAONNSA-N -2 0 366.296 0.312 20 0 FCADRL Cc1ccnc(-n2cc(S(=O)(=O)[N-]C(=O)CCCC(=O)[O-])cn2)c1 ZINC001331819392 873261600 /nfs/dbraw/zinc/26/16/00/873261600.db2.gz QZJPLJSDCBSLLU-UHFFFAOYSA-N -2 0 352.372 0.636 20 0 FCADRL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]N=c1[n-]ncc(N)c1Cl ZINC001332538620 873549304 /nfs/dbraw/zinc/54/93/04/873549304.db2.gz QLCVJWJVRAOKFT-QMMMGPOBSA-N -2 0 351.816 0.690 20 0 FCADRL COc1cc(OC)nc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)n1 ZINC000327637014 971414230 /nfs/dbraw/zinc/41/42/30/971414230.db2.gz REHIUCJLGYHJRP-UHFFFAOYSA-N -2 0 369.355 0.758 20 0 FCADRL Cc1nn(C)c([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])c1Br ZINC000381776363 971777696 /nfs/dbraw/zinc/77/76/96/971777696.db2.gz KJDAHUBNHQZBEY-UHFFFAOYSA-N -2 0 364.181 0.713 20 0 FCADRL O=C([O-])COCCOCCNC(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC001595115197 951941974 /nfs/dbraw/zinc/94/19/74/951941974.db2.gz XENYZNXOPIRVFW-UHFFFAOYSA-N -2 0 367.383 0.472 20 0 FCADRL CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)[N-]OCC2CCC2)C1 ZINC001602892492 971804050 /nfs/dbraw/zinc/80/40/50/971804050.db2.gz HMMKAXRPBRSEIQ-MRXNPFEDSA-N -2 0 358.391 0.925 20 0 FCADRL O=C([O-])[C@@H]1COCCN1C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001594957686 954992963 /nfs/dbraw/zinc/99/29/63/954992963.db2.gz UTDYQFQDWQSZFL-NSHDSACASA-N -2 0 353.281 0.782 20 0 FCADRL COC(=O)c1c(C)n[n-]c1S(=O)(=O)Oc1ccccc1CC(=O)[O-] ZINC001593867139 955591451 /nfs/dbraw/zinc/59/14/51/955591451.db2.gz ZRLVNJZTOHERCN-UHFFFAOYSA-N -2 0 354.340 0.900 20 0 FCADRL Cc1ncc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c(C)n1 ZINC000852959272 955898864 /nfs/dbraw/zinc/89/88/64/955898864.db2.gz ZKTUWDZDVUMVAT-GHMZBOCLSA-N -2 0 374.319 0.830 20 0 FCADRL COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)N[C@@H](C)C(=O)[O-])c1OC ZINC000013027621 956908206 /nfs/dbraw/zinc/90/82/06/956908206.db2.gz OOGVJUFXBHYGMG-ZJELKQJVSA-N -2 0 359.356 0.553 20 0 FCADRL Cn1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)n1 ZINC000127093956 958605921 /nfs/dbraw/zinc/60/59/21/958605921.db2.gz HJXBWZAPZVHAAX-UHFFFAOYSA-N -2 0 362.165 0.472 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N[C@@H](C(=O)[O-])c2ccnn2C)c1 ZINC001594131384 958673738 /nfs/dbraw/zinc/67/37/38/958673738.db2.gz FRJPQRVGXYDFEU-SHACYNPGSA-N -2 0 351.384 0.478 20 0 FCADRL CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)[N-]OC[C@H]2CCOC2)C1 ZINC001573450761 958873412 /nfs/dbraw/zinc/87/34/12/958873412.db2.gz HSQNSLDWQOAQBM-MEDUHNTESA-N -2 0 374.390 0.161 20 0 FCADRL CCn1ncc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1 ZINC001573972226 961743061 /nfs/dbraw/zinc/74/30/61/961743061.db2.gz OSAYIWWWDSQRHC-APPZFPTMSA-N -2 0 363.296 0.034 20 0 FCADRL COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC001574056468 962190358 /nfs/dbraw/zinc/19/03/58/962190358.db2.gz MSFMQOABEQMOPM-JTQLQIEISA-N -2 0 356.297 0.166 20 0 FCADRL O=C([O-])C1(C(=O)[N-]OCCOc2ccccc2)CCS(=O)(=O)CC1 ZINC001574633106 962306587 /nfs/dbraw/zinc/30/65/87/962306587.db2.gz KABPMMMGNJRFKB-UHFFFAOYSA-N -2 0 357.384 0.393 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cnn(C2CC2)c1 ZINC001605970960 972980178 /nfs/dbraw/zinc/98/01/78/972980178.db2.gz SXOSTXZANDZGPJ-WDEREUQCSA-N -2 0 374.319 0.954 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cnn(C2CC2)c1 ZINC001605970959 972981092 /nfs/dbraw/zinc/98/10/92/972981092.db2.gz SXOSTXZANDZGPJ-QWRGUYRKSA-N -2 0 374.319 0.954 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1nccs1 ZINC001605974132 972990635 /nfs/dbraw/zinc/99/06/35/972990635.db2.gz LAWOZFWRAORAAU-BQBZGAKWSA-N -2 0 351.306 0.879 20 0 FCADRL Cn1nccc1[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000402590108 973628351 /nfs/dbraw/zinc/62/83/51/973628351.db2.gz ZOBFDPTVYDHIRV-SNVBAGLBSA-N -2 0 358.307 0.572 20 0 FCADRL O=C([O-])[C@@H]1CCCN1S(=O)(=O)[N-]CC(F)(F)C1(O)CCCCC1 ZINC001606388780 973841119 /nfs/dbraw/zinc/84/11/19/973841119.db2.gz SFVXBDCRZIYQAV-JTQLQIEISA-N -2 0 356.391 0.700 20 0 FCADRL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC001591761217 975847130 /nfs/dbraw/zinc/84/71/30/975847130.db2.gz JKNACVZFBPPVJM-SECBINFHSA-N -2 0 352.343 0.947 20 0 FCADRL CC(C)c1nn(C)cc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001592050304 976788326 /nfs/dbraw/zinc/78/83/26/976788326.db2.gz NQYXERHNJYUXHZ-UHFFFAOYSA-N -2 0 358.420 0.315 20 0 FCADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC001592360368 977848497 /nfs/dbraw/zinc/84/84/97/977848497.db2.gz VPGQJAVYIYVQBL-LURJTMIESA-N -2 0 351.283 0.924 20 0 FCADRL C[C@@](CNC(=O)c1cccc(-n2[n-]nnc2=N)c1)(C(=O)[O-])c1ccccc1 ZINC001592699022 979157576 /nfs/dbraw/zinc/15/75/76/979157576.db2.gz WFTWKIGBXSBWRG-SFHVURJKSA-N -2 0 366.381 0.847 20 0 FCADRL C[C@](CNS(=O)(=O)c1cnn(CC(=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC001592722397 979223776 /nfs/dbraw/zinc/22/37/76/979223776.db2.gz LCDAXMNRAWDTKP-OAHLLOKOSA-N -2 0 367.383 0.289 20 0 FCADRL C[C@H](CS(=O)(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)C(=O)[O-] ZINC001592799766 979454335 /nfs/dbraw/zinc/45/43/35/979454335.db2.gz DZLPWTFLFFMXKD-HLTSFMKQSA-N -2 0 360.354 0.426 20 0 FCADRL C[C@H](CS(=O)(=O)N[C@@H](Cc1c[nH]c2ncccc12)C(=O)[O-])C(=O)[O-] ZINC001592807612 979476911 /nfs/dbraw/zinc/47/69/11/979476911.db2.gz ODCRGDNWVANXDI-KCJUWKMLSA-N -2 0 355.372 0.199 20 0 FCADRL C[C@H](CSCCNS(=O)(=O)c1csnc1C(=O)[O-])C(=O)[O-] ZINC001592825594 979544686 /nfs/dbraw/zinc/54/46/86/979544686.db2.gz IXVAUDDNBCVAFI-ZCFIWIBFSA-N -2 0 354.431 0.574 20 0 FCADRL C[C@@H](NC(=O)C1CCCC1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001593002430 980215734 /nfs/dbraw/zinc/21/57/34/980215734.db2.gz HNEQTWSXZWMYBH-MRVPVSSYSA-N -2 0 374.440 0.946 20 0 FCADRL CCOC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccccc1 ZINC001596535617 984370288 /nfs/dbraw/zinc/37/02/88/984370288.db2.gz UVHKBAOUQBBTOY-NSHDSACASA-N -2 0 368.367 0.998 20 0 FCADRL C[C@H]1CN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC001599924516 985182473 /nfs/dbraw/zinc/18/24/73/985182473.db2.gz KPTKLXXQKVBNAS-UFBFGSQYSA-N -2 0 360.363 0.511 20 0 FCADRL CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)C1 ZINC001589066817 985204386 /nfs/dbraw/zinc/20/43/86/985204386.db2.gz UXXHUFFCENTEOJ-JTQLQIEISA-N -2 0 358.372 0.350 20 0 FCADRL Cc1[nH]c(C([O-])=CS(=O)(=O)[C@H](C)c2nncn2C)c(C)c1C(=O)[O-] ZINC001599948154 985563550 /nfs/dbraw/zinc/56/35/50/985563550.db2.gz UZBDCFARBVYRQP-SECBINFHSA-N -2 0 354.388 0.817 20 0 FCADRL CCOCC1(C(=O)[N-]S(=O)(=O)c2ccc(OC)cc2CC(=O)[O-])CC1 ZINC001596891105 985815296 /nfs/dbraw/zinc/81/52/96/985815296.db2.gz KOBJXYHUPMKLBA-UHFFFAOYSA-N -2 0 371.411 0.944 20 0 FCADRL CCOC[C@@H](NS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-])C(=O)[O-] ZINC001596945706 986088114 /nfs/dbraw/zinc/08/81/14/986088114.db2.gz OEXJRFHEWKYMGM-LLVKDONJSA-N -2 0 368.367 0.701 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])s2)[C@@H](C(=O)[O-])[C@H](C)O1 ZINC001594557074 986300240 /nfs/dbraw/zinc/30/02/40/986300240.db2.gz NIKUBLQNJZGMFP-RGNHYFCHSA-N -2 0 363.413 0.626 20 0 FCADRL C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])N(C(=O)OC(C)(C)C)C1CC1 ZINC001589424084 986687426 /nfs/dbraw/zinc/68/74/26/986687426.db2.gz RQORZGAMPOQYRR-IUCAKERBSA-N -2 0 364.420 0.694 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC001589451487 986844672 /nfs/dbraw/zinc/84/46/72/986844672.db2.gz INGOKFKKWIRYBY-BDAKNGLRSA-N -2 0 352.372 0.641 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cnn(C)c1Br ZINC001589452782 986852294 /nfs/dbraw/zinc/85/22/94/986852294.db2.gz APKUSZRBRILAQZ-PHDIDXHHSA-N -2 0 368.209 0.351 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cncc(N2CCCC2=O)c1 ZINC001589453609 986863651 /nfs/dbraw/zinc/86/36/51/986863651.db2.gz HAYAPSSQNVCINX-NXEZZACHSA-N -2 0 369.399 0.377 20 0 FCADRL C[C@@H]1Oc2ccc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])cc2NC1=O ZINC001594650801 986872214 /nfs/dbraw/zinc/87/22/14/986872214.db2.gz LISZOHMMHZCEJZ-QMMMGPOBSA-N -2 0 351.315 0.257 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)C1CCCCC1 ZINC001589454215 986874964 /nfs/dbraw/zinc/87/49/64/986874964.db2.gz USMROKBHDIOXIZ-QWRGUYRKSA-N -2 0 362.448 0.628 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc2c1O[C@@H](C)C(=O)N2 ZINC001594651255 986875652 /nfs/dbraw/zinc/87/56/52/986875652.db2.gz QIMBCPXIQZUULW-HRDYMLBCSA-N -2 0 370.383 0.575 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1c(Cl)nn(C)c1Cl ZINC001589454371 986877527 /nfs/dbraw/zinc/87/75/27/986877527.db2.gz VKLLNCGOJAUNSU-UHNVWZDZSA-N -2 0 358.203 0.896 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)cc1 ZINC001589455161 986891409 /nfs/dbraw/zinc/89/14/09/986891409.db2.gz VPLBYZXUIOXSME-NEPJUHHUSA-N -2 0 370.427 0.692 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1nc(N2CCCC2)ncc1Cl ZINC001589491065 987057151 /nfs/dbraw/zinc/05/71/51/987057151.db2.gz HGOPZWZJMCDOED-ZETCQYMHSA-N -2 0 362.795 0.263 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1c(C(F)(F)F)nc2n1CCCC2 ZINC001589491547 987059131 /nfs/dbraw/zinc/05/91/31/987059131.db2.gz LSLSPHIWFKNXEL-LURJTMIESA-N -2 0 369.321 0.771 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC001589495254 987073609 /nfs/dbraw/zinc/07/36/09/987073609.db2.gz ODADQKSKGBABDU-BBBLOLIVSA-N -2 0 364.420 0.599 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1(C)CN(C(=O)OC(C)(C)C)C1 ZINC001589495692 987074871 /nfs/dbraw/zinc/07/48/71/987074871.db2.gz QNKRYOZWMRYKND-MRVPVSSYSA-N -2 0 350.393 0.163 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001597231782 987191630 /nfs/dbraw/zinc/19/16/30/987191630.db2.gz YMPLPXVIVMFWKQ-WDEREUQCSA-N -2 0 356.400 0.356 20 0 FCADRL CC[C@H](NS(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-])C(=O)[O-] ZINC001597351269 987494372 /nfs/dbraw/zinc/49/43/72/987494372.db2.gz YPYITSFUOMJCMV-YFKPBYRVSA-N -2 0 351.358 0.374 20 0 FCADRL CCc1c(C(=O)[N-]S(=O)(=O)CC(=O)[O-])nnn1Cc1ccccc1 ZINC001597410867 987696880 /nfs/dbraw/zinc/69/68/80/987696880.db2.gz NTMVDVAEEVNKBQ-UHFFFAOYSA-N -2 0 352.372 0.033 20 0 FCADRL CSCC[C@H](NS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1)C(=O)[O-] ZINC001599794590 988074426 /nfs/dbraw/zinc/07/44/26/988074426.db2.gz QAGDOCNEDGBJFH-NSHDSACASA-N -2 0 365.404 0.937 20 0 FCADRL CCc1ccc(S(C)(=O)=O)cc1C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001597562618 988309578 /nfs/dbraw/zinc/30/95/78/988309578.db2.gz LXFPQMMCDFBUBA-QMMMGPOBSA-N -2 0 363.413 0.185 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)N[C@H]3CCO[C@H]3C(=O)[O-])cc2[n-]c1=S ZINC001597860016 989632684 /nfs/dbraw/zinc/63/26/84/989632684.db2.gz HMMNSFMMTDQLRI-CMPLNLGQSA-N -2 0 363.395 0.677 20 0 FCADRL CC(C)(C)OCC(=O)NC(C)(C)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC001590377815 989876181 /nfs/dbraw/zinc/87/61/81/989876181.db2.gz JUXZDSWRMKVRRC-UHFFFAOYSA-N -2 0 366.436 0.007 20 0 FCADRL CC(C)(C)OC[C@H](NS(=O)(=O)c1cccc(CC(=O)[O-])c1)C(=O)[O-] ZINC001590389301 989914617 /nfs/dbraw/zinc/91/46/17/989914617.db2.gz QTCMAHIACZDMMC-LBPRGKRZSA-N -2 0 359.400 0.860 20 0 FCADRL CC(C)(CCNC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1)C(=O)[O-] ZINC001590675860 990387265 /nfs/dbraw/zinc/38/72/65/990387265.db2.gz LIMJASRIBGZKFR-UHFFFAOYSA-N -2 0 353.379 0.824 20 0 FCADRL CN(C)C(=O)C1CCC(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])CC1 ZINC001598114486 990514965 /nfs/dbraw/zinc/51/49/65/990514965.db2.gz VWEWCDXCNXFSSX-UHFFFAOYSA-N -2 0 362.448 0.438 20 0 FCADRL CC(C)(CNS(=O)(=O)c1scnc1C(=O)[O-])[C@@]1(O)CCOC1 ZINC001590774179 990575842 /nfs/dbraw/zinc/57/58/42/990575842.db2.gz GEWWUEXHIIFBRI-GFCCVEGCSA-N -2 0 350.418 0.297 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@H]1CCN(CC(F)(F)F)C1)C(=O)[O-] ZINC001590797823 990616833 /nfs/dbraw/zinc/61/68/33/990616833.db2.gz GOGFKHUKUNBDLP-QMMMGPOBSA-N -2 0 360.354 0.427 20 0 FCADRL CN(C)C(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc1 ZINC001598151332 990631343 /nfs/dbraw/zinc/63/13/43/990631343.db2.gz YBWLYMQIMDNIJO-UHFFFAOYSA-N -2 0 356.400 0.559 20 0 FCADRL COc1cccc([C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C(=O)[O-])c1 ZINC001599685594 990982103 /nfs/dbraw/zinc/98/21/03/990982103.db2.gz UMIFMAWWACRLCP-LBPRGKRZSA-N -2 0 350.331 0.420 20 0 FCADRL CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)C(=O)[O-] ZINC001590982437 991151323 /nfs/dbraw/zinc/15/13/23/991151323.db2.gz OAVRVEAEELZVCS-RYUDHWBXSA-N -2 0 356.419 0.809 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])c1 ZINC001598277184 991159172 /nfs/dbraw/zinc/15/91/72/991159172.db2.gz SGRNFWUQMCEJGE-CMPLNLGQSA-N -2 0 356.400 0.626 20 0 FCADRL CC(C)[C@H](CNC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1)C(=O)[O-] ZINC001590983277 991159389 /nfs/dbraw/zinc/15/93/89/991159389.db2.gz HHNDRWFMFSEDNN-MNOVXSKESA-N -2 0 353.379 0.680 20 0 FCADRL COc1ncc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1Br ZINC001599733212 991736978 /nfs/dbraw/zinc/73/69/78/991736978.db2.gz RJEDPNVYMNOSDK-RXMQYKEDSA-N -2 0 367.177 0.385 20 0 FCADRL CS(=O)(=O)[N-]c1nnc(NC(=O)Cc2ccc(C(=O)[O-])cc2)s1 ZINC001599761991 992134420 /nfs/dbraw/zinc/13/44/20/992134420.db2.gz FDOWRRJVBFCKLI-UHFFFAOYSA-N -2 0 356.385 0.789 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)NCCc2ncc(C(=O)[O-])s2)cc1=O ZINC001591506338 992652869 /nfs/dbraw/zinc/65/28/69/992652869.db2.gz PXLOZYOFEVZQPO-UHFFFAOYSA-N -2 0 352.416 0.889 20 0 FCADRL COc1ccc(S(=O)(=O)NC[C@H](C(=O)[O-])C(C)C)c(CC(=O)[O-])c1 ZINC001599615151 994005077 /nfs/dbraw/zinc/00/50/77/994005077.db2.gz PVGPSCLEFNEJFS-LBPRGKRZSA-N -2 0 359.400 0.957 20 0 FCADRL COc1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])OC)c(CC(=O)[O-])c1 ZINC001599615297 994007041 /nfs/dbraw/zinc/00/70/41/994007041.db2.gz YBJMHZNSTMNEFJ-NSHDSACASA-N -2 0 361.372 0.090 20 0 FCADRL CNC(=O)c1cc(S(=O)(=O)[N-]c2ccn(C(C)(C)C(=O)[O-])n2)cn1C ZINC001598656989 994537889 /nfs/dbraw/zinc/53/78/89/994537889.db2.gz QDQYVGNEBXSWCD-UHFFFAOYSA-N -2 0 369.403 0.202 20 0 FCADRL CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC001598677236 994866761 /nfs/dbraw/zinc/86/67/61/994866761.db2.gz UPJZVMLHIHUIDZ-UHFFFAOYSA-N -2 0 371.396 0.489 20 0 FCADRL COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001598684595 994987192 /nfs/dbraw/zinc/98/71/92/994987192.db2.gz QFVMSKXLKQTWKR-UHFFFAOYSA-N -2 0 361.347 0.783 20 0 FCADRL COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001598684543 994987637 /nfs/dbraw/zinc/98/76/37/994987637.db2.gz NFBBOFNUCNZBKL-UHFFFAOYSA-N -2 0 357.384 0.573 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)c1 ZINC001599682712 995008474 /nfs/dbraw/zinc/00/84/74/995008474.db2.gz DNNJQKCPCHGNEL-OWJWWREXSA-N -2 0 355.412 0.487 20 0 FCADRL C[C@@](O)(CNS(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC001593416961 995201412 /nfs/dbraw/zinc/20/14/12/995201412.db2.gz JGFCYGVGNBAEMC-LLVKDONJSA-N -2 0 371.289 0.518 20 0 FCADRL COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccccc1 ZINC001598701394 995227910 /nfs/dbraw/zinc/22/79/10/995227910.db2.gz CZQUZXQXFYMVJM-SNVBAGLBSA-N -2 0 354.340 0.608 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C)c1ccn(C)n1 ZINC001598714869 995392601 /nfs/dbraw/zinc/39/26/01/995392601.db2.gz UHVCUWXCBTZBEK-ZDUSSCGKSA-N -2 0 367.383 0.619 20 0 FCADRL C[C@H](OCC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1nccn1C ZINC001593604719 995778912 /nfs/dbraw/zinc/77/89/12/995778912.db2.gz VUMWIHFAKPEJSE-QMMMGPOBSA-N -2 0 357.344 0.294 20 0 FCADRL COC(=O)[C@@H]1CN(C(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)C[C@H]1C(=O)[O-] ZINC001598813983 996254087 /nfs/dbraw/zinc/25/40/87/996254087.db2.gz AZKNEGRDGVQSIQ-CHWSQXEVSA-N -2 0 373.365 0.420 20 0 FCADRL COC(=O)[C@H]1CN(C(=O)c2ncc(Br)cc2[O-])C[C@@H]1C(=O)[O-] ZINC001598819327 996306357 /nfs/dbraw/zinc/30/63/57/996306357.db2.gz BKTPDUIDFMBSMD-YUMQZZPRSA-N -2 0 373.159 0.496 20 0 FCADRL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CCC(=O)NC1 ZINC001593755060 996402082 /nfs/dbraw/zinc/40/20/82/996402082.db2.gz LJHRIDUAWFNCHR-OAHLLOKOSA-N -2 0 354.384 0.247 20 0 FCADRL CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CC1 ZINC001593783851 996498634 /nfs/dbraw/zinc/49/86/34/996498634.db2.gz YIVMMICYOOHALD-UHFFFAOYSA-N -2 0 374.393 0.983 20 0 FCADRL COC(=O)CN(CC(=O)[O-])C(=O)c1cc(Br)c(F)cc1[O-] ZINC001598861003 996674605 /nfs/dbraw/zinc/67/46/05/996674605.db2.gz QNWZRHAASRLRLO-UHFFFAOYSA-N -2 0 364.123 0.994 20 0 FCADRL COC(=O)C[C@@H](NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)C(=O)[O-] ZINC001598867921 996719770 /nfs/dbraw/zinc/71/97/70/996719770.db2.gz KWIDHYUPPWXTRI-TZOMUSMUSA-N -2 0 357.340 0.079 20 0 FCADRL COC(=O)C[C@@H](NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)C(=O)[O-] ZINC001598867920 996719844 /nfs/dbraw/zinc/71/98/44/996719844.db2.gz KWIDHYUPPWXTRI-MEQVVJDKSA-N -2 0 357.340 0.079 20 0 FCADRL COC(=O)Cc1cccc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)n1 ZINC001598873668 996750210 /nfs/dbraw/zinc/75/02/10/996750210.db2.gz RNYJUOZQIXFSNR-UHFFFAOYSA-N -2 0 365.367 1.000 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2c(C)csc2C(=O)[O-])cn1 ZINC001598874898 996756895 /nfs/dbraw/zinc/75/68/95/996756895.db2.gz GBHCHAQAZRRFIB-UHFFFAOYSA-N -2 0 359.385 0.925 20 0 FCADRL COc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c(Br)c1 ZINC001599484058 996816098 /nfs/dbraw/zinc/81/60/98/996816098.db2.gz NQWKDWKYJWTWFF-LURJTMIESA-N -2 0 366.189 0.990 20 0 FCADRL COC[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1)C(=O)[O-] ZINC001599175742 996839581 /nfs/dbraw/zinc/83/95/81/996839581.db2.gz VPKZGSICQHNBJL-SECBINFHSA-N -2 0 370.305 0.778 20 0 FCADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC001599384380 996918423 /nfs/dbraw/zinc/91/84/23/996918423.db2.gz FOHYDEJOUAZEFM-RXMQYKEDSA-N -2 0 371.339 0.938 20 0 FCADRL COc1cc(C(C)=O)ccc1OCCCC(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001599388621 996990741 /nfs/dbraw/zinc/99/07/41/996990741.db2.gz OKPJHIHVKVGUJU-UHFFFAOYSA-N -2 0 373.383 0.587 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1[C@H](C)SC[C@@H]1C(=O)[O-] ZINC001599501259 997124631 /nfs/dbraw/zinc/12/46/31/997124631.db2.gz IPZBIHQCRNMSBO-IONNQARKSA-N -2 0 361.397 0.930 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1[C@@H](C)SC[C@@H]1C(=O)[O-] ZINC001599501261 997124969 /nfs/dbraw/zinc/12/49/69/997124969.db2.gz IPZBIHQCRNMSBO-VXNVDRBHSA-N -2 0 361.397 0.930 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)[O-] ZINC001599501564 997132059 /nfs/dbraw/zinc/13/20/59/997132059.db2.gz OIUHITAJAXLORO-SNVBAGLBSA-N -2 0 373.383 0.646 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C(=O)[O-] ZINC001599501560 997132151 /nfs/dbraw/zinc/13/21/51/997132151.db2.gz OCKHDCDQVHBHBZ-RVBZMBCESA-N -2 0 373.383 0.645 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)nc2ncnn21 ZINC001599502954 997159189 /nfs/dbraw/zinc/15/91/89/997159189.db2.gz FTVZCWSOUFGVCK-UHFFFAOYSA-N -2 0 363.355 0.940 20 0 FCADRL COCc1cccc(CS(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])no2)c1 ZINC001599297496 997171642 /nfs/dbraw/zinc/17/16/42/997171642.db2.gz DPJFQKXSWWKHIN-UHFFFAOYSA-N -2 0 354.340 0.779 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])c1 ZINC001598924439 997629228 /nfs/dbraw/zinc/62/92/28/997629228.db2.gz YSKNXQJZHVBCDR-NSHDSACASA-N -2 0 371.367 0.799 20 0 FCADRL COc1cc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc1C(=O)[O-] ZINC001599429776 997738804 /nfs/dbraw/zinc/73/88/04/997738804.db2.gz JXOAXLYPTMNXNP-NSHDSACASA-N -2 0 352.343 0.947 20 0 FCADRL C[C@]1([N-]C(=O)C(F)(F)F)CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001594052088 997752038 /nfs/dbraw/zinc/75/20/38/997752038.db2.gz LWIUZQNIGMYVFW-AWEZNQCLSA-N -2 0 374.319 0.861 20 0 FCADRL COc1cc(OC)cc(S(=O)(=O)[N-]C(=O)C23CC(C(=O)[O-])(C2)C3)c1 ZINC001599453587 998148732 /nfs/dbraw/zinc/14/87/32/998148732.db2.gz LKIJWRYPSQOVEL-UHFFFAOYSA-N -2 0 355.368 0.764 20 0 FCADRL COc1cc(OC)cc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)c1 ZINC001599453911 998154044 /nfs/dbraw/zinc/15/40/44/998154044.db2.gz VPLHCWPAASRUAD-NEPJUHHUSA-N -2 0 359.356 0.141 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]C[C@@]2(C(=O)[O-])CCOC2)oc1Cl ZINC001598953688 998201983 /nfs/dbraw/zinc/20/19/83/998201983.db2.gz RCWJHRGNEPXLSB-LBPRGKRZSA-N -2 0 367.763 0.489 20 0 FCADRL COc1cc(S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-])cc(C(=O)[O-])c1OC ZINC001599458133 998223409 /nfs/dbraw/zinc/22/34/09/998223409.db2.gz YRPFFEXMJRQGGA-MRVPVSSYSA-N -2 0 361.372 0.743 20 0 FCADRL COc1cc(S(=O)(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])sn1 ZINC001599461555 998280320 /nfs/dbraw/zinc/28/03/20/998280320.db2.gz XSOBYTATSHBOQS-SNVBAGLBSA-N -2 0 358.397 0.962 20 0 FCADRL COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])cc1 ZINC001598960113 998313163 /nfs/dbraw/zinc/31/31/63/998313163.db2.gz SQHHTSKGWOXHHT-UHFFFAOYSA-N -2 0 370.364 0.747 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@H](C(=O)[O-])C2CCC2)c1 ZINC001598962595 998360535 /nfs/dbraw/zinc/36/05/35/998360535.db2.gz CXAJFYKORICGKC-LBPRGKRZSA-N -2 0 371.367 0.703 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N(CC(=O)[O-])C2CCC2)c1 ZINC001598963057 998367585 /nfs/dbraw/zinc/36/75/85/998367585.db2.gz QMSKFQKLIVIDQR-UHFFFAOYSA-N -2 0 371.367 0.799 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)c1 ZINC001598964669 998394325 /nfs/dbraw/zinc/39/43/25/998394325.db2.gz YCFXZRFFVQCAQG-SCZZXKLOSA-N -2 0 371.367 0.655 20 0 FCADRL COc1ccc(COCCCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1 ZINC001599574261 998415635 /nfs/dbraw/zinc/41/56/35/998415635.db2.gz CVAVUZSWVWTYJL-LLVKDONJSA-N -2 0 359.400 0.911 20 0 FCADRL COc1ccc(-n2nnc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c2C)cc1 ZINC001599473014 998480249 /nfs/dbraw/zinc/48/02/49/998480249.db2.gz KDFMJHBIGWLUFK-VIFPVBQESA-N -2 0 368.371 0.117 20 0 FCADRL COc1ccc(-n2cc([O-])c(C(=O)N3C[C@H](C)O[C@H](C(=O)[O-])C3)n2)cc1 ZINC001599473993 998497561 /nfs/dbraw/zinc/49/75/61/998497561.db2.gz UMHVOUUDNZLDHT-HZMBPMFUSA-N -2 0 361.354 0.901 20 0 FCADRL COc1ccc(-n2cc([O-])c(C(=O)N3CCC[C@H](O)[C@@H]3C(=O)[O-])n2)cc1 ZINC001599474164 998499884 /nfs/dbraw/zinc/49/98/84/998499884.db2.gz YPTVKDMSPGPGPN-SWLSCSKDSA-N -2 0 361.354 0.637 20 0 FCADRL COc1ccc(C(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1 ZINC001599478107 998565220 /nfs/dbraw/zinc/56/52/20/998565220.db2.gz HGCWFKRJGUXKPX-NXEZZACHSA-N -2 0 357.384 0.823 20 0 FCADRL COC(=O)c1ccc(NC(=O)C[C@]2(C(=O)[O-])CCOC2)cc1C(=O)[O-] ZINC001598978932 998634824 /nfs/dbraw/zinc/63/48/24/998634824.db2.gz NDVSSNWESNHPQF-MRXNPFEDSA-N -2 0 351.311 0.991 20 0 FCADRL COC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)nn1 ZINC001598982840 998673268 /nfs/dbraw/zinc/67/32/68/998673268.db2.gz IQNLWBGRJNJXGC-UHFFFAOYSA-N -2 0 351.340 0.903 20 0 FCADRL COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)c1 ZINC001598984596 998688664 /nfs/dbraw/zinc/68/86/64/998688664.db2.gz PPQBHBKDZQAVMV-UHFFFAOYSA-N -2 0 367.339 0.771 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cncc(C(=O)[O-])c2)s1 ZINC001598987839 998710586 /nfs/dbraw/zinc/71/05/86/998710586.db2.gz HPZNVUOSGDULIG-UHFFFAOYSA-N -2 0 370.364 0.747 20 0 FCADRL COC(=O)c1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1OC ZINC001598998915 998805988 /nfs/dbraw/zinc/80/59/88/998805988.db2.gz LHAMSVKWOPLLLW-UHFFFAOYSA-N -2 0 369.355 0.564 20 0 FCADRL COC(=O)c1sc(S(=O)(=O)[N-]c2nc(C)n(C)n2)c(C(=O)[O-])c1C ZINC001599022236 998989833 /nfs/dbraw/zinc/98/98/33/998989833.db2.gz GMSLMEVIXUGAFK-UHFFFAOYSA-N -2 0 374.400 0.779 20 0 FCADRL COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])co1 ZINC001599023510 998998976 /nfs/dbraw/zinc/99/89/76/998998976.db2.gz FWXOLPHFIJCEJR-UHFFFAOYSA-N -2 0 359.337 0.945 20 0 FCADRL CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC001599037839 999096302 /nfs/dbraw/zinc/09/63/02/999096302.db2.gz QXJAQEXMSPDPCS-LLVKDONJSA-N -2 0 359.400 0.861 20 0 FCADRL COc1cc(Cl)c(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1OC ZINC000280352571 212629677 /nfs/dbraw/zinc/62/96/77/212629677.db2.gz BCNCVPTXJDNZJX-SSDOTTSWSA-N -2 0 367.763 0.563 20 0 FCADRL COC(=O)Nc1ccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc1 ZINC000278617420 212472473 /nfs/dbraw/zinc/47/24/73/212472473.db2.gz HBXXBPBBCOEFFP-LLVKDONJSA-N -2 0 374.371 0.851 20 0 FCADRL C[C@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC[C@@H]1C(=O)[O-] ZINC000277156216 212335328 /nfs/dbraw/zinc/33/53/28/212335328.db2.gz SAKZJCCXGVSZKZ-CBAPKCEASA-N -2 0 368.371 0.167 20 0 FCADRL CC1(C)Cc2cccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c2O1 ZINC000370305742 216535538 /nfs/dbraw/zinc/53/55/38/216535538.db2.gz NVBYUHARJVGTBG-JTQLQIEISA-N -2 0 357.384 0.996 20 0 FCADRL Cc1cc(Br)cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1 ZINC000276773899 212288265 /nfs/dbraw/zinc/28/82/65/212288265.db2.gz CBKOAXGFKOENER-UHFFFAOYSA-N -2 0 366.189 0.917 20 0 FCADRL Cc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1Br ZINC000275344976 212009647 /nfs/dbraw/zinc/00/96/47/212009647.db2.gz VQUMUUBWSNFJFT-SECBINFHSA-N -2 0 366.189 0.964 20 0 FCADRL CCOc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cn1 ZINC000275213452 211985558 /nfs/dbraw/zinc/98/55/58/211985558.db2.gz ZZMNODXXHLBTIZ-WDEREUQCSA-N -2 0 358.372 0.276 20 0 FCADRL Nc1ncc(Cl)cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000275071171 211956803 /nfs/dbraw/zinc/95/68/03/211956803.db2.gz HBHKUNNTURLVJO-YUMQZZPRSA-N -2 0 363.779 0.113 20 0 FCADRL COc1ccc(Cl)c(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000275022329 211948838 /nfs/dbraw/zinc/94/88/38/211948838.db2.gz SBMNZVRWUWEICI-SSDOTTSWSA-N -2 0 351.764 0.802 20 0 FCADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cnn(-c3ncccn3)c2)c1 ZINC000436997041 248057009 /nfs/dbraw/zinc/05/70/09/248057009.db2.gz VGJAONLROFPUKA-UHFFFAOYSA-N -2 0 361.339 0.867 20 0 FCADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc(-n3cncn3)nc2)c1 ZINC000436993522 248057514 /nfs/dbraw/zinc/05/75/14/248057514.db2.gz CXQNHVGTUPKFFW-UHFFFAOYSA-N -3 0 361.339 0.867 20 0 FCADRL Cc1nc(=NC(=O)c2ccnc(C(=O)N=c3nc(C)[n-]s3)c2)s[n-]1 ZINC000469131800 249963234 /nfs/dbraw/zinc/96/32/34/249963234.db2.gz FYLMBUFXDCPKDY-UHFFFAOYSA-N -2 0 361.412 0.750 20 0 FCADRL CCn1nccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000471973222 250125808 /nfs/dbraw/zinc/12/58/08/250125808.db2.gz OCFMPVVKMIPFMW-UHFFFAOYSA-N -2 0 373.412 0.806 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(=O)NC2CC2)c1 ZINC000266758228 210397920 /nfs/dbraw/zinc/39/79/20/210397920.db2.gz FRHPJZAKZQSRJZ-UHFFFAOYSA-N -2 0 368.371 0.562 20 0 FCADRL Cc1cc(=NC(=O)[C@@H]2C(C)[C@H]2C(=O)N=c2cc(C)c(C)n[n-]2)[n-]nc1C ZINC000410491684 230102151 /nfs/dbraw/zinc/10/21/51/230102151.db2.gz VUKBWOINCOLASH-HZPDHXFCSA-N -2 0 354.414 0.803 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccccc1OC(F)(F)F)C(=O)[O-] ZINC000322893540 488903411 /nfs/dbraw/zinc/90/34/11/488903411.db2.gz FOGSXDDUPJBEQM-ZCFIWIBFSA-N -2 0 357.262 0.791 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000324264872 488905614 /nfs/dbraw/zinc/90/56/14/488905614.db2.gz WOWDNMIQHIJDFJ-LLVKDONJSA-N -2 0 359.356 0.460 20 0 FCADRL CC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1 ZINC000325288834 488909350 /nfs/dbraw/zinc/90/93/50/488909350.db2.gz QSVMOUPXXOHOAU-OLZOCXBDSA-N -2 0 355.368 0.685 20 0 FCADRL NC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 ZINC000324874785 488907702 /nfs/dbraw/zinc/90/77/02/488907702.db2.gz QGLRRJZJWGICKU-UHFFFAOYSA-N -2 0 352.372 0.186 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cccc(OCC(N)=O)c2)cc1C(=O)[O-] ZINC000324905243 488907984 /nfs/dbraw/zinc/90/79/84/488907984.db2.gz QQIAWRXXFVYXDU-UHFFFAOYSA-N -2 0 353.356 0.388 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1cccc(Br)c1)C(=O)[O-] ZINC000093091695 488477979 /nfs/dbraw/zinc/47/79/79/488477979.db2.gz KEHUUUDJFBDYMF-MRVPVSSYSA-N -2 0 352.162 0.655 20 0 FCADRL COc1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc([N-]S(C)(=O)=O)c1OC ZINC000262071810 488548941 /nfs/dbraw/zinc/54/89/41/488548941.db2.gz CJQZUIJEEHMDCE-LLVKDONJSA-N -2 0 372.399 0.765 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NCC(C)(C)C(=O)[O-])c1 ZINC000262230768 488558586 /nfs/dbraw/zinc/55/85/86/488558586.db2.gz NBZVTDZHFLKQIK-UHFFFAOYSA-N -2 0 371.415 0.857 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000262776241 488592324 /nfs/dbraw/zinc/59/23/24/488592324.db2.gz LUFPVYMHVAMBTK-UHFFFAOYSA-N -2 0 374.390 0.808 20 0 FCADRL C[C@@H](CN(C)C(=O)CCn1c(=O)c2ccccc2[n-]c1=S)c1nnn[n-]1 ZINC000274803593 488735011 /nfs/dbraw/zinc/73/50/11/488735011.db2.gz SZEQIXYAONNKEF-JTQLQIEISA-N -2 0 373.442 0.851 20 0 FCADRL CCOCCOc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000274911777 488743232 /nfs/dbraw/zinc/74/32/32/488743232.db2.gz KVOUHSGPMHZLJS-GFCCVEGCSA-N -2 0 361.372 0.308 20 0 FCADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000274940427 488746186 /nfs/dbraw/zinc/74/61/86/488746186.db2.gz QUTRXXBDQLQIDM-MRVPVSSYSA-N -2 0 365.747 0.333 20 0 FCADRL Cc1ccc(Br)c(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000274950687 488747467 /nfs/dbraw/zinc/74/74/67/488747467.db2.gz SQGWGZDCVDEZFC-MRVPVSSYSA-N -2 0 366.189 0.964 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1C(=O)[O-] ZINC000274958273 488747967 /nfs/dbraw/zinc/74/79/67/488747967.db2.gz BEKYKJYJFRBIBO-NEPJUHHUSA-N -2 0 355.368 0.418 20 0 FCADRL COC(=O)c1cc(C)c(C)c(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000274997818 488751948 /nfs/dbraw/zinc/75/19/48/488751948.db2.gz NRJFSEGOXOPFTK-NSHDSACASA-N -2 0 373.383 0.544 20 0 FCADRL COc1cc(F)c(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1OC ZINC000275009172 488753130 /nfs/dbraw/zinc/75/31/30/488753130.db2.gz PNWQCPAKBGWFIP-UHFFFAOYSA-N -2 0 351.308 0.003 20 0 FCADRL C[C@@H](CCCC(=O)[O-])NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000275020841 488753762 /nfs/dbraw/zinc/75/37/62/488753762.db2.gz RPVPCYOLAAMYPX-ZETCQYMHSA-N -2 0 356.360 0.358 20 0 FCADRL COc1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1Cl ZINC000275048304 488756423 /nfs/dbraw/zinc/75/64/23/488756423.db2.gz WOPYWAMLEJWFHB-ZETCQYMHSA-N -2 0 351.764 0.802 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1OC ZINC000275070170 488758702 /nfs/dbraw/zinc/75/87/02/488758702.db2.gz GWCWWICFJHQMTF-MNOVXSKESA-N -2 0 373.383 0.500 20 0 FCADRL Nc1ncc(Cl)cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000275071168 488758716 /nfs/dbraw/zinc/75/87/16/488758716.db2.gz HBHKUNNTURLVJO-SFYZADRCSA-N -2 0 363.779 0.113 20 0 FCADRL C[C@@H](CN(C)C(=O)Cn1c(=O)c2ccccc2[n-]c1=S)c1nnn[n-]1 ZINC000282335215 489155303 /nfs/dbraw/zinc/15/53/03/489155303.db2.gz OKWKMGWQXLYOKW-VIFPVBQESA-N -2 0 359.415 0.460 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1C(N)=O ZINC000474396466 489760020 /nfs/dbraw/zinc/76/00/20/489760020.db2.gz XQNSOFIWKFPQQV-UHFFFAOYSA-N -2 0 355.328 0.590 20 0 FCADRL CC(=O)N(C)c1ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC000563927773 491277926 /nfs/dbraw/zinc/27/79/26/491277926.db2.gz BPTQBYONUZFYPZ-OAHLLOKOSA-N -2 0 372.399 0.513 20 0 FCADRL COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)c1 ZINC000430979430 489782911 /nfs/dbraw/zinc/78/29/11/489782911.db2.gz OYUYPGCRKJCIFB-UHFFFAOYSA-N -2 0 363.355 0.883 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cn1 ZINC000475819112 489851898 /nfs/dbraw/zinc/85/18/98/489851898.db2.gz UIAKRSJBSQELCS-UHFFFAOYSA-N -2 0 356.381 0.984 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)cc1C(=O)[O-] ZINC000477402561 489962534 /nfs/dbraw/zinc/96/25/34/489962534.db2.gz HLHIIOTXZJEWEH-UHFFFAOYSA-N -2 0 370.408 0.854 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cn1 ZINC000462380187 489972303 /nfs/dbraw/zinc/97/23/03/489972303.db2.gz JYUKPGZGRXUZEL-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL COCCNC(=O)c1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000507637987 490241061 /nfs/dbraw/zinc/24/10/61/490241061.db2.gz REHCSVTXOVDXBG-UHFFFAOYSA-N -2 0 367.383 0.890 20 0 FCADRL COC(=O)C[C@@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000522005181 490325186 /nfs/dbraw/zinc/32/51/86/490325186.db2.gz WDWVKFWGHPACOH-ZCFIWIBFSA-N -2 0 359.253 0.538 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000547594615 490326311 /nfs/dbraw/zinc/32/63/11/490326311.db2.gz PPJBUNIHUYJTMX-CQSZACIVSA-N -2 0 372.355 0.676 20 0 FCADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000547600060 490327782 /nfs/dbraw/zinc/32/77/82/490327782.db2.gz VCISHVFIDGEWKM-NWDGAFQWSA-N -2 0 373.431 0.877 20 0 FCADRL COc1cc(C)c(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1OC ZINC000547892996 490379266 /nfs/dbraw/zinc/37/92/66/490379266.db2.gz SRSNWVJKDNYPAJ-VIFPVBQESA-N -2 0 361.372 0.466 20 0 FCADRL CC(=O)Nc1ccc(C)c(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000547896865 490381179 /nfs/dbraw/zinc/38/11/79/490381179.db2.gz SDNUKQWDJONSJK-JTQLQIEISA-N -2 0 358.372 0.407 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2F)CC[C@@H]1C(=O)[O-] ZINC000547918964 490385945 /nfs/dbraw/zinc/38/59/45/490385945.db2.gz SLDQPYMRNNPADD-QWRGUYRKSA-N -2 0 363.338 0.902 20 0 FCADRL CC(=O)N(C)c1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000547921817 490386765 /nfs/dbraw/zinc/38/67/65/490386765.db2.gz JTFOUVCJSDCSTL-LBPRGKRZSA-N -2 0 358.372 0.266 20 0 FCADRL Cc1ccc2c(=O)c(C(=O)N=c3[n-]c(CS(C)(=O)=O)no3)c[n-]c2n1 ZINC000522891578 490416226 /nfs/dbraw/zinc/41/62/26/490416226.db2.gz NOHUXQRVLDNSBK-UHFFFAOYSA-N -2 0 363.355 0.246 20 0 FCADRL NC(=O)C(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000509389074 490421384 /nfs/dbraw/zinc/42/13/84/490421384.db2.gz CGVKINVOTYMDAZ-UHFFFAOYSA-N -2 0 369.380 0.671 20 0 FCADRL NS(=O)(=O)c1cc(F)cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000509555872 490439336 /nfs/dbraw/zinc/43/93/36/490439336.db2.gz MAOCNYUBMSNOMO-UHFFFAOYSA-N -2 0 363.348 0.300 20 0 FCADRL Cn1c2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2n(C)c1=O ZINC000509583046 490440034 /nfs/dbraw/zinc/44/00/34/490440034.db2.gz JMPLHMRFPAKZBC-UHFFFAOYSA-N -2 0 350.356 0.704 20 0 FCADRL Cc1cnn(-c2ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc2F)c1 ZINC000548208527 490440403 /nfs/dbraw/zinc/44/04/03/490440403.db2.gz WMPPYCPPDLFVTJ-NSHDSACASA-N -2 0 371.346 0.526 20 0 FCADRL COc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(C(N)=O)cc1OC ZINC000509595994 490441627 /nfs/dbraw/zinc/44/16/27/490441627.db2.gz LZKIOJRYFGKMJZ-UHFFFAOYSA-N -2 0 369.355 0.630 20 0 FCADRL Cc1cc(C(=O)N2CC(=O)Nc3cnccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000468822307 490452651 /nfs/dbraw/zinc/45/26/51/490452651.db2.gz GGAPAIDEEPBKPV-UHFFFAOYSA-N -2 0 352.310 0.738 20 0 FCADRL COC(=O)c1sccc1S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000548266122 490454563 /nfs/dbraw/zinc/45/45/63/490454563.db2.gz PZZYOACCXMUHLI-LBPRGKRZSA-N -2 0 365.385 0.379 20 0 FCADRL CN(CC(=O)[O-])S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000548432833 490484183 /nfs/dbraw/zinc/48/41/83/490484183.db2.gz VYVUAYUWFSBSEP-UHFFFAOYSA-N -2 0 352.162 0.852 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000548577566 490509982 /nfs/dbraw/zinc/50/99/82/490509982.db2.gz FBUZAJHUVFUMQP-OAHLLOKOSA-N -2 0 355.368 0.657 20 0 FCADRL COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000548594927 490514412 /nfs/dbraw/zinc/51/44/12/490514412.db2.gz UCPHAHGXSTZRCJ-ISTVAULSSA-N -2 0 365.404 0.203 20 0 FCADRL C[C@](CNS(=O)(=O)c1ccc(F)c(F)c1F)(CC(=O)[O-])C(=O)[O-] ZINC000548594410 490514980 /nfs/dbraw/zinc/51/49/80/490514980.db2.gz GPLJQBZJACGQNI-GFCCVEGCSA-N -2 0 355.290 0.948 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c1C(=O)[O-] ZINC000538093432 490710280 /nfs/dbraw/zinc/71/02/80/490710280.db2.gz BZZUQZLQLGUKIH-UHFFFAOYSA-N -2 0 368.346 0.943 20 0 FCADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000539195905 490768179 /nfs/dbraw/zinc/76/81/79/490768179.db2.gz HCJKZKZMPYTYMO-UHFFFAOYSA-N -2 0 357.319 0.845 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])ccc1O ZINC000539842424 490797563 /nfs/dbraw/zinc/79/75/63/490797563.db2.gz ZGUBSLMHUSUEAU-UHFFFAOYSA-N -2 0 355.328 0.411 20 0 FCADRL O=C([O-])[C@@H](CC1CCC1)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000530367475 490901276 /nfs/dbraw/zinc/90/12/76/490901276.db2.gz TYPGITJWDUZQMF-SNVBAGLBSA-N -2 0 368.371 0.358 20 0 FCADRL COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000578732525 491683036 /nfs/dbraw/zinc/68/30/36/491683036.db2.gz KXTHAAMKGQRJNE-SSDOTTSWSA-N -2 0 359.278 0.998 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(CC(F)(F)F)cc1)C(=O)[O-] ZINC000580610619 491738392 /nfs/dbraw/zinc/73/83/92/491738392.db2.gz PDLXHPYRAZTCFY-SECBINFHSA-N -2 0 355.290 0.998 20 0 FCADRL Cn1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(=O)[O-])cc2)n1 ZINC000589428523 491761892 /nfs/dbraw/zinc/76/18/92/491761892.db2.gz YHPIMVZLXILYRI-UHFFFAOYSA-N -2 0 352.372 0.425 20 0 FCADRL Cc1c(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCO3)cnn1C ZINC000581167910 491761928 /nfs/dbraw/zinc/76/19/28/491761928.db2.gz QMEQAZGSMXUOLX-UHFFFAOYSA-N -2 0 353.356 0.999 20 0 FCADRL Cn1nccc1S(=O)(=O)[N-]c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000589428028 491761945 /nfs/dbraw/zinc/76/19/45/491761945.db2.gz BLGVCRQQAZTWSH-UHFFFAOYSA-N -2 0 352.372 0.425 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c(F)c1 ZINC000581422283 491771986 /nfs/dbraw/zinc/77/19/86/491771986.db2.gz HSDYEDSXJWYMFN-VHSXEESVSA-N -2 0 361.347 0.630 20 0 FCADRL CC[C@H](C)[C@@H]1CN(C(=O)c2cc(=O)[nH][n-]2)CCN1C(=O)c1cc(=O)[nH][n-]1 ZINC000612882638 491956934 /nfs/dbraw/zinc/95/69/34/491956934.db2.gz FZVKAYCOFRYFSW-CABZTGNLSA-N -2 0 362.390 0.557 20 0 FCADRL O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000614259144 492021170 /nfs/dbraw/zinc/02/11/70/492021170.db2.gz FWRWLSWRXFRWRC-UHFFFAOYSA-N -2 0 356.342 0.873 20 0 FCADRL O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000656563661 492633922 /nfs/dbraw/zinc/63/39/22/492633922.db2.gz VSLXMQSAKPQGEM-QMMMGPOBSA-N -2 0 355.290 0.885 20 0 FCADRL O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1cc(=O)[nH]cn1 ZINC000626276671 492956295 /nfs/dbraw/zinc/95/62/95/492956295.db2.gz HETSUDBPINOLHL-UHFFFAOYSA-N -2 0 364.383 0.925 20 0 FCADRL CCC(CC)(C(=O)[O-])C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000653310025 493091722 /nfs/dbraw/zinc/09/17/22/493091722.db2.gz RYVKZDOQOYGIIA-NSHDSACASA-N -2 0 354.403 0.802 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC000653317481 493093907 /nfs/dbraw/zinc/09/39/07/493093907.db2.gz XUQIBKJYCIARCQ-BXKDBHETSA-N -2 0 357.370 0.954 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1ccccc1OC(F)F)C(=O)[O-] ZINC000681563708 493186485 /nfs/dbraw/zinc/18/64/85/493186485.db2.gz WOPDJGWSJWAMBH-SSDOTTSWSA-N -2 0 353.299 0.884 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1cnn(CC(F)(F)F)c1)C(=O)[O-] ZINC000681563337 493187223 /nfs/dbraw/zinc/18/72/23/493187223.db2.gz RLJHJBJQGIQENI-SSDOTTSWSA-N -2 0 359.282 0.042 20 0 FCADRL Cc1cc2cccnc2c(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000681578153 493189368 /nfs/dbraw/zinc/18/93/68/493189368.db2.gz KAIBWEVKRHMPKX-NSHDSACASA-N -2 0 352.368 0.997 20 0 FCADRL COc1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1NC(C)=O ZINC000681578201 493189429 /nfs/dbraw/zinc/18/94/29/493189429.db2.gz KYMUZFBHPUXHIV-SECBINFHSA-N -2 0 374.371 0.107 20 0 FCADRL COc1cc(Cl)ccc1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000681578273 493189662 /nfs/dbraw/zinc/18/96/62/493189662.db2.gz OGVVSKGRIPHBSK-SSDOTTSWSA-N -2 0 351.764 0.802 20 0 FCADRL CCc1nn(C)c(CC)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000681587814 493192152 /nfs/dbraw/zinc/19/21/52/493192152.db2.gz DUACIZLCIZYWAL-UWVGGRQHSA-N -2 0 373.431 0.341 20 0 FCADRL COc1cc(F)ccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000663292042 493582405 /nfs/dbraw/zinc/58/24/05/493582405.db2.gz RZPFMTBDSIAKOL-VHSXEESVSA-N -2 0 361.347 0.630 20 0 FCADRL COc1cc(F)ccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000663292040 493582627 /nfs/dbraw/zinc/58/26/27/493582627.db2.gz RZPFMTBDSIAKOL-UWVGGRQHSA-N -2 0 361.347 0.630 20 0 FCADRL COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000737869886 599704155 /nfs/dbraw/zinc/70/41/55/599704155.db2.gz BORUTZZPEHKCRK-HYXAFXHYSA-N -2 0 370.321 0.783 20 0 FCADRL CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000737202831 599727882 /nfs/dbraw/zinc/72/78/82/599727882.db2.gz HFPGZSXHLIBNGL-MNOVXSKESA-N -2 0 370.383 0.569 20 0 FCADRL COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1 ZINC000737622651 599738857 /nfs/dbraw/zinc/73/88/57/599738857.db2.gz QOGGPWJZTYWZBX-UHFFFAOYSA-N -2 0 369.355 0.320 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c(F)c1 ZINC000736164735 599739002 /nfs/dbraw/zinc/73/90/02/599739002.db2.gz BHFQPEXWCIRUDG-UHFFFAOYSA-N -2 0 356.335 0.866 20 0 FCADRL NS(=O)(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000739188000 599739013 /nfs/dbraw/zinc/73/90/13/599739013.db2.gz CXRCYTRRACEDKI-UHFFFAOYSA-N -2 0 364.332 0.565 20 0 FCADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)n1 ZINC000739920545 599739946 /nfs/dbraw/zinc/73/99/46/599739946.db2.gz RNMZBCSXNCRDMT-UHFFFAOYSA-N -2 0 368.346 0.792 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-])cc1 ZINC000736165910 599796690 /nfs/dbraw/zinc/79/66/90/599796690.db2.gz UKLJWZHGOVVWMU-UHFFFAOYSA-N -2 0 360.413 0.658 20 0 FCADRL O=C([O-])NCCC(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000739938043 599798323 /nfs/dbraw/zinc/79/83/23/599798323.db2.gz MPZUSCMUYZKPMI-UHFFFAOYSA-N -2 0 351.178 0.912 20 0 FCADRL CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cn1 ZINC000324763153 599849967 /nfs/dbraw/zinc/84/99/67/599849967.db2.gz ACIVFOXZHBTYTN-UHFFFAOYSA-N -2 0 372.380 0.690 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)C(=O)[O-] ZINC000013028162 599870767 /nfs/dbraw/zinc/87/07/67/599870767.db2.gz LLNJXJQUOWVRRU-QMMMGPOBSA-N -3 0 351.720 0.244 20 0 FCADRL COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])C(C)C ZINC000737635127 599964212 /nfs/dbraw/zinc/96/42/12/599964212.db2.gz YJUIMMIYZMNRKI-QMMMGPOBSA-N -2 0 364.401 0.632 20 0 FCADRL CNC(=O)c1cc(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)cn1C ZINC000737544434 600055068 /nfs/dbraw/zinc/05/50/68/600055068.db2.gz JCPSKGRXAQUUNX-UHFFFAOYSA-N -2 0 358.401 0.649 20 0 FCADRL Cn1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C(=O)[O-])n1 ZINC000739038448 600094860 /nfs/dbraw/zinc/09/48/60/600094860.db2.gz INVBOMKECQAHHA-UHFFFAOYSA-N -2 0 366.399 0.756 20 0 FCADRL O=C([O-])CC[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccccc1 ZINC000739662514 600153602 /nfs/dbraw/zinc/15/36/02/600153602.db2.gz MLBHHKDOCORFIR-ZDUSSCGKSA-N -2 0 355.354 0.794 20 0 FCADRL Cn1nnc2cc(C(=O)[N-]S(=O)(=O)c3ccsc3C(=O)[O-])ccc21 ZINC000739061924 600162491 /nfs/dbraw/zinc/16/24/91/600162491.db2.gz BYYUQIAJMVPDIR-UHFFFAOYSA-N -2 0 366.380 0.847 20 0 FCADRL O=C([O-])C[C@H](NC(=O)c1cc(=O)[nH][n-]1)c1cccc(Br)c1 ZINC000739628423 600166806 /nfs/dbraw/zinc/16/68/06/600166806.db2.gz YRZXTDYHLJIKDG-VIFPVBQESA-N -2 0 354.160 0.957 20 0 FCADRL Cc1[nH]c(C(=O)COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c(C)c1C(=O)[O-] ZINC000738153779 600175813 /nfs/dbraw/zinc/17/58/13/600175813.db2.gz BMGWLOYPHRGWTD-UHFFFAOYSA-N -2 0 373.325 0.140 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(CS(N)(=O)=O)cc2)c1C(=O)[O-] ZINC000738829866 600231032 /nfs/dbraw/zinc/23/10/32/600231032.db2.gz SRUSNKOHEXRSFS-UHFFFAOYSA-N -2 0 374.400 0.006 20 0 FCADRL CNC(=O)C1(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CCC1 ZINC000737535417 600242252 /nfs/dbraw/zinc/24/22/52/600242252.db2.gz OIDSGJMJKWFZDI-UHFFFAOYSA-N -2 0 354.384 0.247 20 0 FCADRL O=C([O-])c1cn(CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c2ccccc12 ZINC000740251769 600261417 /nfs/dbraw/zinc/26/14/17/600261417.db2.gz IYGIITDGZGBGIF-CYBMUJFWSA-N -2 0 356.342 0.453 20 0 FCADRL COCCn1c(=O)cc([O-])nc1SCc1noc(CCC(=O)[O-])n1 ZINC000737825693 600281975 /nfs/dbraw/zinc/28/19/75/600281975.db2.gz CSAIEOKBTTYHFS-UHFFFAOYSA-N -2 0 356.360 0.288 20 0 FCADRL COC(=O)c1sc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])nc1C ZINC000737721475 600422518 /nfs/dbraw/zinc/42/25/18/600422518.db2.gz YWKMHQTXDAATMJ-UHFFFAOYSA-N -2 0 360.373 0.769 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cnn(-c2ccccc2F)c1 ZINC000739696238 600459661 /nfs/dbraw/zinc/45/96/61/600459661.db2.gz MWHQXRYLVSEOSC-UHFFFAOYSA-N -2 0 355.347 0.936 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000739695088 600460645 /nfs/dbraw/zinc/46/06/45/600460645.db2.gz DBEXQNAGQNFROY-ZDUSSCGKSA-N -2 0 368.411 0.602 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCOC2=O)cc1 ZINC000739691114 600460652 /nfs/dbraw/zinc/46/06/52/600460652.db2.gz FQDULPRFNWOEPB-UHFFFAOYSA-N -2 0 356.356 0.568 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000739690764 600460781 /nfs/dbraw/zinc/46/07/81/600460781.db2.gz BCABQCDTOPXLQN-UHFFFAOYSA-N -2 0 354.384 0.960 20 0 FCADRL CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1 ZINC000736869793 600462162 /nfs/dbraw/zinc/46/21/62/600462162.db2.gz SVHDXFQDIGBMNM-NEPJUHHUSA-N -2 0 362.448 0.582 20 0 FCADRL COc1cccc(CO[C@H](C)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1 ZINC000738104764 600463224 /nfs/dbraw/zinc/46/32/24/600463224.db2.gz PPJHYRZSEFVRJZ-LLVKDONJSA-N -2 0 359.400 0.911 20 0 FCADRL C[C@@H](NC(=O)OCc1ccccc1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736649245 600463830 /nfs/dbraw/zinc/46/38/30/600463830.db2.gz FUHBVVDONRBGRL-LLVKDONJSA-N -2 0 372.399 0.612 20 0 FCADRL CCOC(=O)c1[nH]c(C)c(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1C ZINC000737149892 600465064 /nfs/dbraw/zinc/46/50/64/600465064.db2.gz YJKXEXIKMLUYMQ-UHFFFAOYSA-N -2 0 360.388 0.733 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCn1cnc2ccccc2c1=O ZINC000739692606 600466040 /nfs/dbraw/zinc/46/60/40/600466040.db2.gz SKBFCQIVHYPRJK-UHFFFAOYSA-N -2 0 367.383 0.097 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCc1nc(-c2ccccn2)no1 ZINC000739693580 600466058 /nfs/dbraw/zinc/46/60/58/600466058.db2.gz ZSWYPKLFOJLPSA-UHFFFAOYSA-N -2 0 368.371 0.375 20 0 FCADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cn1 ZINC000739911520 600530388 /nfs/dbraw/zinc/53/03/88/600530388.db2.gz AVZXTOGVEAYJSJ-UHFFFAOYSA-N -2 0 367.387 0.333 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cn1 ZINC000737630832 600530735 /nfs/dbraw/zinc/53/07/35/600530735.db2.gz MXTZLBVRSNFDKA-UHFFFAOYSA-N -2 0 355.328 0.261 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2ncc(C(N)=O)s2)cc1C(=O)[O-] ZINC000738069899 600659523 /nfs/dbraw/zinc/65/95/23/600659523.db2.gz NYDDOSOIPHQKMW-UHFFFAOYSA-N -2 0 357.369 0.750 20 0 FCADRL COCCOc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1F ZINC000831779154 600678603 /nfs/dbraw/zinc/67/86/03/600678603.db2.gz COAQVURDYOTSFX-UHFFFAOYSA-N -2 0 373.362 0.933 20 0 FCADRL Cc1cc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000832904845 600682906 /nfs/dbraw/zinc/68/29/06/600682906.db2.gz CHPFQARMLFEYNL-UHFFFAOYSA-N -2 0 373.412 0.480 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cccnc2N2CCOCC2)cc1C(=O)[O-] ZINC000833055173 600828149 /nfs/dbraw/zinc/82/81/49/600828149.db2.gz ATGIPIPCIWYLCN-UHFFFAOYSA-N -2 0 366.399 0.756 20 0 FCADRL CC1=C(C(=O)[O-])[C@H](c2cn(C)nn2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736750633 600885688 /nfs/dbraw/zinc/88/56/88/600885688.db2.gz LJRBKKUEBZZENC-ZDUSSCGKSA-N -2 0 351.363 0.885 20 0 FCADRL NC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC000739161792 600891137 /nfs/dbraw/zinc/89/11/37/600891137.db2.gz UDLLRQRCQAAGDA-UHFFFAOYSA-N -2 0 358.763 0.521 20 0 FCADRL CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000826753788 600937496 /nfs/dbraw/zinc/93/74/96/600937496.db2.gz FSMLOHIITSCMLI-UHFFFAOYSA-N -2 0 362.429 0.804 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000833228624 600947448 /nfs/dbraw/zinc/94/74/48/600947448.db2.gz SKMXEYSGAZPZED-NWDGAFQWSA-N -2 0 369.395 0.872 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1NC(C)=O ZINC000832468951 600987099 /nfs/dbraw/zinc/98/70/99/600987099.db2.gz VWPUACRLDKTUGG-UHFFFAOYSA-N -2 0 369.359 0.131 20 0 FCADRL C[C@@H]1C(=O)Nc2cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])ccc2N1C ZINC000828142188 601143098 /nfs/dbraw/zinc/14/30/98/601143098.db2.gz FXRDRGASDWVTJY-SECBINFHSA-N -2 0 369.399 0.388 20 0 FCADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccn(CCC(N)=O)n1 ZINC000831950466 601204144 /nfs/dbraw/zinc/20/41/44/601204144.db2.gz UPFNVWUUHMUNOB-UHFFFAOYSA-N -2 0 374.400 0.328 20 0 FCADRL Cc1oc(S(=O)(=O)[N-]c2ccc(CS(N)(=O)=O)cc2)cc1C(=O)[O-] ZINC000833030424 601232247 /nfs/dbraw/zinc/23/22/47/601232247.db2.gz VPOGZRRHJFNLEN-UHFFFAOYSA-N -2 0 374.396 0.876 20 0 FCADRL CCC[C@](C)(NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000829201742 601274754 /nfs/dbraw/zinc/27/47/54/601274754.db2.gz CZPLRQVZMBLQLW-ZDUSSCGKSA-N -2 0 356.360 0.358 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)ccc1F ZINC000831353634 601326000 /nfs/dbraw/zinc/32/60/00/601326000.db2.gz LIGWWKSNEMVUJP-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c1 ZINC000831440189 601330476 /nfs/dbraw/zinc/33/04/76/601330476.db2.gz UEMIVEXSQCIYBY-UHFFFAOYSA-N -2 0 369.355 0.564 20 0 FCADRL CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1 ZINC000830557231 601360993 /nfs/dbraw/zinc/36/09/93/601360993.db2.gz RFSKTYQVAFNPES-UHFFFAOYSA-N -2 0 371.350 0.004 20 0 FCADRL COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000831066464 601383848 /nfs/dbraw/zinc/38/38/48/601383848.db2.gz IOJBCSVDFHCSOC-VIFPVBQESA-N -2 0 351.340 0.370 20 0 FCADRL COc1cc(OC)c(NS(=O)(=O)N(C)CCC(=O)[O-])c(C(=O)[O-])c1 ZINC000832030481 601383990 /nfs/dbraw/zinc/38/39/90/601383990.db2.gz SLFNEVKWCLQLEX-UHFFFAOYSA-N -2 0 362.360 0.465 20 0 FCADRL NC(=O)CCNc1ccccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833082549 601485237 /nfs/dbraw/zinc/48/52/37/601485237.db2.gz UTBDXTPEXMWLTI-UHFFFAOYSA-N -2 0 370.412 0.929 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)Cc2ccc(F)c(F)c2)CC1 ZINC000833118874 601598906 /nfs/dbraw/zinc/59/89/06/601598906.db2.gz SBAZWHBWSQDCEW-UHFFFAOYSA-N -2 0 362.354 0.665 20 0 FCADRL COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N(CC(=O)[O-])C3CC3)cc2)[n-]1 ZINC000831189310 601745284 /nfs/dbraw/zinc/74/52/84/601745284.db2.gz YVSUJZXRASRBHD-UHFFFAOYSA-N -2 0 373.365 0.570 20 0 FCADRL Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000833050539 601783775 /nfs/dbraw/zinc/78/37/75/601783775.db2.gz GPPJRLJAQHNGLP-UHFFFAOYSA-N -3 0 368.323 0.921 20 0 FCADRL O=C([O-])C1([N-]S(=O)(=O)c2c(F)cccc2F)CCS(=O)(=O)CC1 ZINC000833175569 601808603 /nfs/dbraw/zinc/80/86/03/601808603.db2.gz JHIFYGHIZTVKIF-UHFFFAOYSA-N -2 0 369.367 0.275 20 0 FCADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(-n2cnnn2)cc1 ZINC000833345837 601831474 /nfs/dbraw/zinc/83/14/74/601831474.db2.gz ZOJOHDDBKIZDFM-UHFFFAOYSA-N -2 0 352.357 0.618 20 0 FCADRL NC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)n1 ZINC000751147030 601837442 /nfs/dbraw/zinc/83/74/42/601837442.db2.gz WZZAVKACSJHYJP-UHFFFAOYSA-N -2 0 360.298 0.146 20 0 FCADRL CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncn(CC(=O)[O-])n3)cc21 ZINC000828045801 602100831 /nfs/dbraw/zinc/10/08/31/602100831.db2.gz AXMZSTGVTCQZNK-UHFFFAOYSA-N -2 0 365.371 0.393 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2nnc(CCC(=O)[O-])s2)c[nH]1 ZINC000831353979 602102795 /nfs/dbraw/zinc/10/27/95/602102795.db2.gz QTXMGICYZDULEL-UHFFFAOYSA-N -2 0 360.373 0.471 20 0 FCADRL Cc1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)no1 ZINC000231788509 602159076 /nfs/dbraw/zinc/15/90/76/602159076.db2.gz PXIMSVZNWLBICV-UHFFFAOYSA-N -2 0 366.149 0.910 20 0 FCADRL CCO[C@H](CC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)C(C)C ZINC000829912781 602241699 /nfs/dbraw/zinc/24/16/99/602241699.db2.gz OZNZUPGTXUHFRR-GFCCVEGCSA-N -2 0 350.437 0.595 20 0 FCADRL CC(C)C[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1 ZINC000736414484 602686475 /nfs/dbraw/zinc/68/64/75/602686475.db2.gz DOXJTSGUUNDRRD-ZETCQYMHSA-N -2 0 363.417 0.334 20 0 FCADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]C(=O)CCNC(=O)[O-])cn1 ZINC000829585577 603516672 /nfs/dbraw/zinc/51/66/72/603516672.db2.gz CWYAXHJOWYPTQK-UHFFFAOYSA-N -2 0 368.371 0.344 20 0 FCADRL CC(C)[C@H](NC(=O)[O-])C(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000736377947 604384380 /nfs/dbraw/zinc/38/43/80/604384380.db2.gz GTPXOYORCDKLAL-LBPRGKRZSA-N -2 0 355.372 0.844 20 0 FCADRL COCCc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)n(C)n1 ZINC000831795955 604621688 /nfs/dbraw/zinc/62/16/88/604621688.db2.gz UYTUIZKBHWNTMQ-UHFFFAOYSA-N -2 0 369.399 0.873 20 0 FCADRL CC(C)Oc1cncc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000827066426 604730715 /nfs/dbraw/zinc/73/07/15/604730715.db2.gz PPZNZGSDUAXHMI-UHFFFAOYSA-N -2 0 371.415 0.640 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)c(C(=O)[O-])c1 ZINC000833751365 605189331 /nfs/dbraw/zinc/18/93/31/605189331.db2.gz VRZBIQSAIRJDQE-UHFFFAOYSA-N -2 0 352.372 0.566 20 0 FCADRL CS(=O)(=O)[N-]c1ccccc1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000780316997 605541073 /nfs/dbraw/zinc/54/10/73/605541073.db2.gz DFIOFLFNMGVFIG-UHFFFAOYSA-N -2 0 365.371 0.045 20 0 FCADRL CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000736427415 605657941 /nfs/dbraw/zinc/65/79/41/605657941.db2.gz STXPKCSZOYDFLR-LURJTMIESA-N -2 0 351.410 0.530 20 0 FCADRL O=C([O-])c1cn(C2CN(C(=O)c3ccc(-c4nc(=O)o[n-]4)cc3)C2)nn1 ZINC000833783879 605727638 /nfs/dbraw/zinc/72/76/38/605727638.db2.gz DMNNAWLPHARRMR-UHFFFAOYSA-N -2 0 356.298 0.017 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2nn[nH]n2)ccc1O ZINC000822541391 606212229 /nfs/dbraw/zinc/21/22/29/606212229.db2.gz OGMZWIUAKHUWAK-UHFFFAOYSA-N -2 0 365.327 0.973 20 0 FCADRL CCOc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1OCC ZINC000324918278 664863931 /nfs/dbraw/zinc/86/39/31/664863931.db2.gz KTXMAEWITPYJGP-UHFFFAOYSA-N -2 0 361.372 0.644 20 0 FCADRL COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(OC)cc1C(=O)[O-] ZINC000912526157 666449823 /nfs/dbraw/zinc/44/98/23/666449823.db2.gz JGJMBKLZRCHYJO-UHFFFAOYSA-N -2 0 355.328 0.704 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]NC(=O)c2ccccn2)cc1C(=O)[O-] ZINC000068074772 666471606 /nfs/dbraw/zinc/47/16/06/666471606.db2.gz RRHVXAVMHYDRGJ-UHFFFAOYSA-N -2 0 365.367 0.802 20 0 FCADRL CSCC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C)C(=O)[O-] ZINC000914688886 666792093 /nfs/dbraw/zinc/79/20/93/666792093.db2.gz JNASJYHIOQAODN-VIFPVBQESA-N -2 0 363.413 0.883 20 0 FCADRL COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000733715377 666925783 /nfs/dbraw/zinc/92/57/83/666925783.db2.gz DHDXNHXMZOSPFP-MRVPVSSYSA-N -2 0 371.440 0.317 20 0 FCADRL COc1cc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc(C(=O)[O-])c1OC ZINC000917717408 667083751 /nfs/dbraw/zinc/08/37/51/667083751.db2.gz DVHFJVUFTCZQJY-JTQLQIEISA-N -2 0 359.356 0.640 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1 ZINC000736267752 667091378 /nfs/dbraw/zinc/09/13/78/667091378.db2.gz JYXJHCLGMSDLQS-SNVBAGLBSA-N -2 0 364.420 0.554 20 0 FCADRL CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccn(C)n2)cc1 ZINC000776303762 668256647 /nfs/dbraw/zinc/25/66/47/668256647.db2.gz SFMDQDAYPBGFQF-UHFFFAOYSA-N -2 0 358.401 0.046 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1c(Cl)nc2sccn21)C(=O)[O-] ZINC000776437528 668261831 /nfs/dbraw/zinc/26/18/31/668261831.db2.gz KWEVAXFVOAOIDX-RXMQYKEDSA-N -2 0 367.792 0.646 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] ZINC000776437610 668261889 /nfs/dbraw/zinc/26/18/89/668261889.db2.gz YAJFTUSHECPWSL-SSDOTTSWSA-N -2 0 357.171 0.985 20 0 FCADRL O=C([O-])CCN(C1CC1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000776657341 668283963 /nfs/dbraw/zinc/28/39/63/668283963.db2.gz KDVVCWKTKBNSBX-UHFFFAOYSA-N -2 0 354.344 0.064 20 0 FCADRL Cc1[nH]nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1C(N)=O ZINC000793415516 668927485 /nfs/dbraw/zinc/92/74/85/668927485.db2.gz LNIQEUVJZZERRP-UHFFFAOYSA-N -2 0 356.335 0.764 20 0 FCADRL CN(Cc1n[n-]c(=O)o1)C(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000819769578 669029439 /nfs/dbraw/zinc/02/94/39/669029439.db2.gz SPRRXQVPADIZNH-UHFFFAOYSA-N -2 0 361.383 0.823 20 0 FCADRL Cc1nc(Cl)ccc1S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000806637102 669424863 /nfs/dbraw/zinc/42/48/63/669424863.db2.gz XOFCWGYNTUNVLX-LBPRGKRZSA-N -2 0 350.780 0.887 20 0 FCADRL CC(C)c1nnc(CCC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)o1 ZINC000827168331 669546259 /nfs/dbraw/zinc/54/62/59/669546259.db2.gz ARIFUZQLISQQMY-UHFFFAOYSA-N -2 0 374.419 0.283 20 0 FCADRL COc1ccc2c(c1)CCC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])=C2 ZINC000837286615 670094037 /nfs/dbraw/zinc/09/40/37/670094037.db2.gz KWKYEYBWCQOCMP-ZDUSSCGKSA-N -2 0 355.368 0.830 20 0 FCADRL CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000847886877 671232502 /nfs/dbraw/zinc/23/25/02/671232502.db2.gz RFPBVNVBGDBYTA-UHFFFAOYSA-N -2 0 354.306 0.607 20 0 FCADRL Cc1cnc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])cn1 ZINC000851701325 671460868 /nfs/dbraw/zinc/46/08/68/671460868.db2.gz UESGBQHHBHUGFI-SCZZXKLOSA-N -2 0 360.292 0.521 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cnsn1 ZINC000851701812 671460984 /nfs/dbraw/zinc/46/09/84/671460984.db2.gz IYJJGZMEBVBUPN-FSPLSTOPSA-N -2 0 352.294 0.274 20 0 FCADRL COc1ccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1C(=O)[O-] ZINC000853061578 671535952 /nfs/dbraw/zinc/53/59/52/671535952.db2.gz CJQQUAQDHJHNNK-VIFPVBQESA-N -2 0 359.356 0.258 20 0 FCADRL O=C([O-])C[C@@H]1COCCN1S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000853062819 671536176 /nfs/dbraw/zinc/53/61/76/671536176.db2.gz UUIJEGVKICZNBC-MRVPVSSYSA-N -2 0 363.775 0.902 20 0 FCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)CCC1 ZINC000863952709 672163876 /nfs/dbraw/zinc/16/38/76/672163876.db2.gz FLMCGDJNCYDEFL-UHFFFAOYSA-N -2 0 355.368 0.908 20 0 FCADRL CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000863952648 672163916 /nfs/dbraw/zinc/16/39/16/672163916.db2.gz BDCPRGRIVRKCCN-SNVBAGLBSA-N -2 0 371.415 0.335 20 0 FCADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C ZINC000863952485 672163995 /nfs/dbraw/zinc/16/39/95/672163995.db2.gz YGUSGYVEWGUOIO-ZDUSSCGKSA-N -2 0 372.399 0.815 20 0 FCADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cn1 ZINC000863956852 672166197 /nfs/dbraw/zinc/16/61/97/672166197.db2.gz URHXOUQPJPRMTC-UHFFFAOYSA-N -2 0 366.399 0.757 20 0 FCADRL COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000863959297 672167335 /nfs/dbraw/zinc/16/73/35/672167335.db2.gz ZTYDKZUAYIBMAV-ZJUUUORDSA-N -2 0 373.383 0.407 20 0 FCADRL CCOC(=O)c1cccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)c1 ZINC000863959535 672167484 /nfs/dbraw/zinc/16/74/84/672167484.db2.gz IGIBZRGGWLYVST-UHFFFAOYSA-N -2 0 355.368 0.923 20 0 FCADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000863962760 672169554 /nfs/dbraw/zinc/16/95/54/672169554.db2.gz WNAMZRGNSAHMBR-UHFFFAOYSA-N -2 0 368.415 0.973 20 0 FCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)Cc2cccc3c2OCCO3)CC=CC1 ZINC000863963857 672170168 /nfs/dbraw/zinc/17/01/68/672170168.db2.gz JBAGYQQPRPEDQC-UHFFFAOYSA-N -2 0 367.379 0.825 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc3c2OCCO3)O1 ZINC000863964438 672170563 /nfs/dbraw/zinc/17/05/63/672170563.db2.gz UUPHZHMHGBOVBS-NEPJUHHUSA-N -2 0 371.367 0.036 20 0 FCADRL O=C([O-])[C@H]1CCN(C(=O)c2cnc(I)c([O-])c2)C1 ZINC000901438476 675790047 /nfs/dbraw/zinc/79/00/47/675790047.db2.gz ILNVHJNARUMWHD-LURJTMIESA-N -2 0 362.123 0.939 20 0 FCADRL CC(=O)N1CCC[C@H](C(=O)N[N-]C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000053662169 1183208333 /nfs/dbraw/zinc/20/83/33/1183208333.db2.gz GQWMGWBJBIRPMB-ZDUSSCGKSA-N -2 0 371.397 0.597 20 0 FCADRL CC(C)(C)OC(=O)NC(C)(C)c1cc(C(=O)[N-]n2c(=O)[n-][nH]c2=O)on1 ZINC000854610485 1209635886 /nfs/dbraw/zinc/63/58/86/1209635886.db2.gz FIRUTPOOKSPKEK-UHFFFAOYSA-N -2 0 368.350 0.821 20 0 FCADRL COC(=O)c1ccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(OC)c1 ZINC001222821910 1225656359 /nfs/dbraw/zinc/65/63/59/1225656359.db2.gz VHNOMSITOWIUDE-MFKMUULPSA-N -2 0 370.310 0.061 20 0 FCADRL COC(=O)c1ccc(OC)cc1COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001223009328 1225672647 /nfs/dbraw/zinc/67/26/47/1225672647.db2.gz TUHCCNGJTIVXFJ-DGCLKSJQSA-N -2 0 370.310 0.061 20 0 FCADRL CCOC(=O)[C@H](OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1ccc(F)cc1 ZINC001223097652 1225681688 /nfs/dbraw/zinc/68/16/88/1225681688.db2.gz SEZSCTUTBAPJQE-CYZMBNFOSA-N -2 0 372.301 0.510 20 0 FCADRL COC(=O)c1cccc(OC)c1COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001223405456 1225703952 /nfs/dbraw/zinc/70/39/52/1225703952.db2.gz DQQWUZNLXNQFCL-NOZJJQNGSA-N -2 0 370.310 0.061 20 0 FCADRL Cc1ccc2oc(=O)cc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2c1 ZINC001223546434 1225715377 /nfs/dbraw/zinc/71/53/77/1225715377.db2.gz GCDPHNRNOBQMPM-NHYWBVRUSA-N -2 0 364.306 0.681 20 0 FCADRL COc1cc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(OC)c1OC ZINC001223630010 1225722068 /nfs/dbraw/zinc/72/20/68/1225722068.db2.gz JHXWRGQZTWMWLP-ZANVPECISA-N -2 0 372.326 0.292 20 0 FCADRL CCOC(=O)[C@H](OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1ccccc1F ZINC001224157601 1225762492 /nfs/dbraw/zinc/76/24/92/1225762492.db2.gz ZDSPQOKDAOWVLB-TVYUQYBPSA-N -2 0 372.301 0.510 20 0 FCADRL COC(=O)c1cc(C(C)=O)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227170660 1225865479 /nfs/dbraw/zinc/86/54/79/1225865479.db2.gz ODXMNWPCRBYGFL-GXFFZTMASA-N -2 0 368.294 0.118 20 0 FCADRL CC(C)COC(=O)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228398456 1225917770 /nfs/dbraw/zinc/91/77/70/1225917770.db2.gz OPWJUWUVSAHJFY-SMDDNHRTSA-N -2 0 368.338 0.941 20 0 FCADRL CC(C)COC(=O)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228398454 1225918264 /nfs/dbraw/zinc/91/82/64/1225918264.db2.gz OPWJUWUVSAHJFY-FZMZJTMJSA-N -2 0 368.338 0.941 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ncnc2c3ccccc3[nH]c21)[C@@H](O)C(=O)[O-] ZINC001228784973 1225949974 /nfs/dbraw/zinc/94/99/74/1225949974.db2.gz YOTRGXOEFSMUIQ-ISVAXAHUSA-N -2 0 359.294 0.553 20 0 FCADRL COC(=O)c1c(C)cc(O)c(C)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001229332714 1226003962 /nfs/dbraw/zinc/00/39/62/1226003962.db2.gz JEHNMRPVGIUFLS-PRHODGIISA-N -2 0 370.310 0.237 20 0 FCADRL CCOC(=O)CCc1cccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001229519563 1226016200 /nfs/dbraw/zinc/01/62/00/1226016200.db2.gz GMMGPYQTMVPDFO-IUODEOHRSA-N -2 0 368.338 0.624 20 0 FCADRL COC(=O)c1cc(C)c(O)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1C ZINC001230259251 1226069402 /nfs/dbraw/zinc/06/94/02/1226069402.db2.gz IRMZPBKTADVTEV-SKDRFNHKSA-N -2 0 370.310 0.237 20 0 FCADRL COc1ccc2c(c1)[nH]c(=O)cc2OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001230686903 1226085591 /nfs/dbraw/zinc/08/55/91/1226085591.db2.gz WXNKAHOXBAGROU-YMTOWFKASA-N -2 0 365.294 0.391 20 0 FCADRL COC(=O)c1cc(F)c(OC)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001231111694 1226099190 /nfs/dbraw/zinc/09/91/90/1226099190.db2.gz YACPUJWBQPEOAI-HQJQHLMTSA-N -2 0 374.273 0.063 20 0 FCADRL COC(=O)[C@@H](C)Oc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001231268882 1226102699 /nfs/dbraw/zinc/10/26/99/1226102699.db2.gz ZWIXVIZZGBNTNF-YDEJPDAXSA-N -2 0 370.310 0.069 20 0 FCADRL COC(=O)c1c[nH]c2cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccc21 ZINC001233537768 1259552594 /nfs/dbraw/zinc/55/25/94/1259552594.db2.gz AGJNKAJUSZGWAB-TVQRCGJNSA-N -2 0 365.294 0.396 20 0 FCADRL C[C@@H]1CC(=O)N(C)c2ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc21 ZINC001234851064 1259564543 /nfs/dbraw/zinc/56/45/43/1259564543.db2.gz GTWLLQJRTFHDTR-OTDPEBBPSA-N -2 0 365.338 0.598 20 0 FCADRL O=C([O-])[C@@]12COC[C@H]1CN(C(=O)c1nn(-c3ccccc3F)cc1[O-])C2 ZINC001549305976 1267899693 /nfs/dbraw/zinc/89/96/93/1267899693.db2.gz NDCUPXVJBMODEN-QGHHPUGFSA-N -2 0 361.329 0.890 20 0 FCADRL O=C([O-])[C@]12COC[C@@H]1CN(C(=O)c1nn(-c3ccccc3F)cc1[O-])C2 ZINC001549305975 1267900426 /nfs/dbraw/zinc/90/04/26/1267900426.db2.gz NDCUPXVJBMODEN-DYZYQPBXSA-N -2 0 361.329 0.890 20 0 FCADRL CCC[C@@](C)(NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C(=O)OC ZINC001577253406 1274284405 /nfs/dbraw/zinc/28/44/05/1274284405.db2.gz DGGUVWQZBVDKKJ-OAHLLOKOSA-N -2 0 360.378 0.436 20 0 FCADRL CCCN(CCNC(=O)c1[nH]nc(C)c1[O-])c1ccnc(-c2nnn[n-]2)n1 ZINC001577618313 1274596724 /nfs/dbraw/zinc/59/67/24/1274596724.db2.gz ZOSYBLMVAHZHAM-UHFFFAOYSA-N -2 0 372.393 0.040 20 0 FCADRL COC(=O)C1(N(C)Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCCC1 ZINC001579438761 1277315747 /nfs/dbraw/zinc/31/57/47/1277315747.db2.gz PSQOOIFEHXMPPZ-UHFFFAOYSA-N -2 0 372.389 0.533 20 0 FCADRL COC(=O)CN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CCCC1 ZINC001579449116 1277340511 /nfs/dbraw/zinc/34/05/11/1277340511.db2.gz JOSIAYWHEIRARX-UHFFFAOYSA-N -2 0 372.389 0.533 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H](C)n1ccc2ccccc2c1=O ZINC001603173468 1287321430 /nfs/dbraw/zinc/32/14/30/1287321430.db2.gz MDPKCWJAOVFRCP-VHSXEESVSA-N -2 0 352.368 0.482 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001603186880 1287325273 /nfs/dbraw/zinc/32/52/73/1287325273.db2.gz CTRICQVFMSBQGE-SFYZADRCSA-N -2 0 356.356 0.186 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001603186878 1287325471 /nfs/dbraw/zinc/32/54/71/1287325471.db2.gz CTRICQVFMSBQGE-JGVFFNPUSA-N -2 0 356.356 0.186 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC001603187697 1287325538 /nfs/dbraw/zinc/32/55/38/1287325538.db2.gz IZVLSFBRPOUMCG-JGVFFNPUSA-N -2 0 355.372 0.448 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2cnn(C)c2)o1 ZINC001603189637 1287327076 /nfs/dbraw/zinc/32/70/76/1287327076.db2.gz RXLRAMQWCYOPGI-BDAKNGLRSA-N -2 0 355.372 0.849 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C ZINC001603204126 1287329181 /nfs/dbraw/zinc/32/91/81/1287329181.db2.gz JITVSQAWMQBNEC-YUMQZZPRSA-N -2 0 368.433 0.216 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001603202259 1287329442 /nfs/dbraw/zinc/32/94/42/1287329442.db2.gz WOKKQCHMMHDXRA-WCQYABFASA-N -2 0 368.411 0.458 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1(c2cccc(F)c2)CCOCC1 ZINC001603202448 1287329511 /nfs/dbraw/zinc/32/95/11/1287329511.db2.gz ZULHCYSLJYRMCK-SNVBAGLBSA-N -2 0 359.375 0.793 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC001603203642 1287329738 /nfs/dbraw/zinc/32/97/38/1287329738.db2.gz CPABGMONDOLJIL-SECBINFHSA-N -2 0 360.363 0.195 20 0 FCADRL CC(C)(C)OC(=O)NC1(CC(=O)[N-]S(=O)(=O)CC(=O)[O-])CCC1 ZINC001603444824 1287373197 /nfs/dbraw/zinc/37/31/97/1287373197.db2.gz YCEDKAHRHYBKCI-UHFFFAOYSA-N -2 0 350.393 0.355 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@H]1CCCN(CC(F)(F)F)C1)C(=O)[O-] ZINC001603659594 1287459987 /nfs/dbraw/zinc/45/99/87/1287459987.db2.gz BUIWLBFZZBCJQZ-VIFPVBQESA-N -2 0 374.381 0.818 20 0 FCADRL CC(C)(CS(=O)(=O)NCCc1nc(CC(=O)[O-])cs1)C(=O)[O-] ZINC001603660070 1287460923 /nfs/dbraw/zinc/46/09/23/1287460923.db2.gz PJKUHIFHFFWPBN-UHFFFAOYSA-N -2 0 350.418 0.343 20 0 FCADRL CC(C)[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC001603724843 1287480262 /nfs/dbraw/zinc/48/02/62/1287480262.db2.gz VITSPWIDAPUJIW-CYBMUJFWSA-N -2 0 350.371 0.816 20 0 FCADRL O=C(c1ncccc1O)N1CCC[C@@H](Nc2cncc(-c3nn[nH]n3)n2)C1 ZINC001582751585 1281976214 /nfs/dbraw/zinc/97/62/14/1281976214.db2.gz MQRAHNSWJXFHCA-SNVBAGLBSA-N -2 0 367.373 0.474 20 0 FCADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CCO[C@@H](c4nnn[n-]4)C3)n2)c1 ZINC001632771656 1282205930 /nfs/dbraw/zinc/20/59/30/1282205930.db2.gz BRRNZMGTPYJQLU-CYBMUJFWSA-N -2 0 373.348 0.752 20 0 FCADRL CC(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C(=O)[O-] ZINC001588905257 1282724763 /nfs/dbraw/zinc/72/47/63/1282724763.db2.gz IILUYBDSUUAETH-LBPRGKRZSA-N -2 0 358.416 0.872 20 0 FCADRL C[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1ncc(C(=O)[O-])s1 ZINC001604350612 1287610931 /nfs/dbraw/zinc/61/09/31/1287610931.db2.gz IYXZBVUODQJAKG-ZETCQYMHSA-N -2 0 353.447 0.999 20 0 FCADRL C[C@@H]1C[C@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCO1 ZINC001590184316 1283291144 /nfs/dbraw/zinc/29/11/44/1283291144.db2.gz GCXXXWDYFVMREB-RKDXNWHRSA-N -2 0 359.346 0.473 20 0 FCADRL C[C@]1(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCCC[C@H]1C(=O)[O-] ZINC001604592218 1287675320 /nfs/dbraw/zinc/67/53/20/1287675320.db2.gz QUFSQKUHFLJVOB-NHYWBVRUSA-N -2 0 356.400 0.803 20 0 FCADRL Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1 ZINC001591870771 1284958142 /nfs/dbraw/zinc/95/81/42/1284958142.db2.gz QMKRNNSCHDUMCB-SNVBAGLBSA-N -2 0 351.388 0.660 20 0 FCADRL Cc1nc(C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)c(C)o1 ZINC001592352364 1285267218 /nfs/dbraw/zinc/26/72/18/1285267218.db2.gz VRALBSUYKQFZLI-UHFFFAOYSA-N -2 0 356.302 0.577 20 0 FCADRL CCc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(=O)OC)no1 ZINC001597685315 1286355980 /nfs/dbraw/zinc/35/59/80/1286355980.db2.gz IQPCOOXDAVBSHL-UHFFFAOYSA-N -2 0 361.357 0.979 20 0 FCADRL C[C@@H](O)[C@H](NS(=O)(=O)c1c([O-])cccc1OC(F)(F)F)C(=O)[O-] ZINC001599845118 1286416139 /nfs/dbraw/zinc/41/61/39/1286416139.db2.gz LDWZHGITUKZLOF-XRGYYRRGSA-N -2 0 359.278 0.403 20 0 FCADRL Cc1c([C@@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)C(=O)[O-])cnn1C ZINC001600009929 1286422935 /nfs/dbraw/zinc/42/29/35/1286422935.db2.gz UHADUUURRYOJFQ-SNVBAGLBSA-N -2 0 359.385 0.592 20 0 FCADRL Cc1c([C@H](NS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])C(=O)[O-])cnn1C ZINC001600009022 1286423046 /nfs/dbraw/zinc/42/30/46/1286423046.db2.gz GUOFIYATEWIRQO-DLOVCJGASA-N -2 0 359.404 0.417 20 0 FCADRL Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001600013083 1286424133 /nfs/dbraw/zinc/42/41/33/1286424133.db2.gz NWFFKQXUCPHZRY-QHCPKHFHSA-N -2 0 371.440 0.955 20 0 FCADRL Cc1c(Cl)c(C(=O)[O-])sc1S(=O)(=O)N(CCO)CCC(=O)[O-] ZINC001600057378 1286433857 /nfs/dbraw/zinc/43/38/57/1286433857.db2.gz UBRKPSNVMLTYGR-UHFFFAOYSA-N -2 0 371.820 0.866 20 0 FCADRL Cc1c(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)coc1C(=O)N(C)C ZINC001600058120 1286434071 /nfs/dbraw/zinc/43/40/71/1286434071.db2.gz WJMJRHFIDCQCSM-UHFFFAOYSA-N -2 0 356.360 0.372 20 0 FCADRL Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C(=O)[O-] ZINC001600068760 1286436407 /nfs/dbraw/zinc/43/64/07/1286436407.db2.gz RGBWTYMILOVJKO-ZCFIWIBFSA-N -2 0 373.159 0.984 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c(C)n1-c1ccn(C)n1 ZINC001600096327 1286440375 /nfs/dbraw/zinc/44/03/75/1286440375.db2.gz IJQWNPJIRMTDMA-SNVBAGLBSA-N -2 0 354.388 0.360 20 0 FCADRL Cc1cc(C(=O)[O-])cc(Cl)c1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001600112315 1286442706 /nfs/dbraw/zinc/44/27/06/1286442706.db2.gz MAXDBEZJWSIUHY-SNVBAGLBSA-N -2 0 370.745 0.597 20 0 FCADRL Cc1cc(C)n(C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])s2)C(=O)[O-])n1 ZINC001600178971 1286451220 /nfs/dbraw/zinc/45/12/20/1286451220.db2.gz OLOFDNXIBZMFSF-VIFPVBQESA-N -2 0 373.412 0.691 20 0 FCADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001600224737 1286454695 /nfs/dbraw/zinc/45/46/95/1286454695.db2.gz QITFQEGZTRPAGC-PELKAZGASA-N -2 0 361.347 0.600 20 0 FCADRL Cc1cc(S(=O)(=O)N2CC(C)(C)OC[C@@H]2C(=O)[O-])ccc1C(=O)[O-] ZINC001600293834 1286470395 /nfs/dbraw/zinc/47/03/95/1286470395.db2.gz WEXKIBQRMCQERL-GFCCVEGCSA-N -2 0 357.384 0.946 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N2CCCC2=O)oc1C(=O)[O-] ZINC001600296050 1286471897 /nfs/dbraw/zinc/47/18/97/1286471897.db2.gz HQKCBXRNBORNBY-LBPRGKRZSA-N -2 0 372.399 0.738 20 0 FCADRL Cc1cc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)ccc1C(=O)[O-] ZINC001600298755 1286473006 /nfs/dbraw/zinc/47/30/06/1286473006.db2.gz AYKATKRJEZGURI-UHFFFAOYSA-N -2 0 357.384 0.853 20 0 FCADRL Cc1ccc(-n2[n-]c(C(=O)NC[C@H](C(=O)[O-])[C@H]3CCOC3)cc2=O)cc1 ZINC001600321453 1286477494 /nfs/dbraw/zinc/47/74/94/1286477494.db2.gz JSLHZTKTNIGEPF-JSGCOSHPSA-N -2 0 359.382 0.941 20 0 FCADRL Cc1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])s1 ZINC001600336712 1286478420 /nfs/dbraw/zinc/47/84/20/1286478420.db2.gz PNWIZIZVHGTDAD-DTWKUNHWSA-N -2 0 362.429 0.342 20 0 FCADRL Cc1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])s1 ZINC001600336715 1286479047 /nfs/dbraw/zinc/47/90/47/1286479047.db2.gz PNWIZIZVHGTDAD-RKDXNWHRSA-N -2 0 362.429 0.342 20 0 FCADRL Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001600636014 1286518600 /nfs/dbraw/zinc/51/86/00/1286518600.db2.gz XNQZYJVAAAQBBA-UHFFFAOYSA-N -2 0 355.416 0.959 20 0 FCADRL Cc1nc2sccn2c1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001600733887 1286534366 /nfs/dbraw/zinc/53/43/66/1286534366.db2.gz ZRHRWJOAZMURHI-UHFFFAOYSA-N -2 0 372.428 0.475 20 0 FCADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)Cc1ccccc1C(=O)[O-] ZINC001600771434 1286540898 /nfs/dbraw/zinc/54/08/98/1286540898.db2.gz VDYXFFRDFFXFCA-UHFFFAOYSA-N -2 0 351.384 0.783 20 0 FCADRL Cc1oc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])cc1S(C)(=O)=O ZINC001600823228 1286552298 /nfs/dbraw/zinc/55/22/98/1286552298.db2.gz IZVUJVOBKUZNOO-HTRCEHHLSA-N -2 0 367.401 0.160 20 0 FCADRL Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-] ZINC001600823028 1286552325 /nfs/dbraw/zinc/55/23/25/1286552325.db2.gz YKPCHTQWPKPALL-CBAPKCEASA-N -2 0 370.387 0.552 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001600834570 1286552996 /nfs/dbraw/zinc/55/29/96/1286552996.db2.gz VZZNCCCIYVSWMI-SSDOTTSWSA-N -2 0 360.388 0.642 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@H]1CCCO1 ZINC001600834396 1286553115 /nfs/dbraw/zinc/55/31/15/1286553115.db2.gz OLPWCDKBDOEMTQ-VHSXEESVSA-N -2 0 361.372 0.675 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)CCOC[C@H]1CCCO1 ZINC001600834480 1286553178 /nfs/dbraw/zinc/55/31/78/1286553178.db2.gz RSQJDZQETGXCPJ-SNVBAGLBSA-N -2 0 361.372 0.677 20 0 FCADRL Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001600858814 1286558756 /nfs/dbraw/zinc/55/87/56/1286558756.db2.gz FTSUNLGKJIYATB-UHFFFAOYSA-N -2 0 371.371 0.005 20 0 FCADRL Cc1sc(=O)n(CC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])c1C ZINC001600866209 1286560120 /nfs/dbraw/zinc/56/01/20/1286560120.db2.gz JQBUFQSLOFEPMC-IMTBSYHQSA-N -2 0 350.418 0.082 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)N[C@@]3(C(=O)[O-])CCSC3)cc2[n-]c1=S ZINC001600919605 1286569605 /nfs/dbraw/zinc/56/96/05/1286569605.db2.gz AZWSZKICDIRECP-HNNXBMFYSA-N -2 0 365.436 0.912 20 0 FCADRL Cn1cc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)nn2)cn1 ZINC001600922622 1286570418 /nfs/dbraw/zinc/57/04/18/1286570418.db2.gz JOLIQEFIEHBVDN-UHFFFAOYSA-N -2 0 362.371 0.715 20 0 FCADRL Cn1cc(C(N)=O)c([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n1 ZINC001600937445 1286574643 /nfs/dbraw/zinc/57/46/43/1286574643.db2.gz AJSPAHOCAOOILX-DAXSKMNVSA-N -2 0 350.356 0.418 20 0 FCADRL Cn1cc(C[C@@H](NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])C(=O)[O-])cn1 ZINC001600948445 1286577714 /nfs/dbraw/zinc/57/77/14/1286577714.db2.gz SRTPDIRAAOFCJP-LLVKDONJSA-N -2 0 371.346 0.232 20 0 FCADRL Cn1cc(NC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)cc1C(=O)[O-] ZINC001600958642 1286579309 /nfs/dbraw/zinc/57/93/09/1286579309.db2.gz IIQFPZCYASBTOM-UHFFFAOYSA-N -2 0 351.359 0.765 20 0 FCADRL Cn1cc(S(=O)(=O)N[C@H](CC2CCOCC2)C(=O)[O-])cc1C(=O)[O-] ZINC001600968049 1286583936 /nfs/dbraw/zinc/58/39/36/1286583936.db2.gz NKOWMTGRSWORLD-LLVKDONJSA-N -2 0 360.388 0.272 20 0 FCADRL Cn1cc(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cc1C(=O)[O-] ZINC001600968074 1286584328 /nfs/dbraw/zinc/58/43/28/1286584328.db2.gz NYAWYHYSKXSHBO-LLVKDONJSA-N -2 0 353.356 0.093 20 0 FCADRL Cn1cncc1[C@H]1CN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C[C@@H]1C(=O)[O-] ZINC001600996411 1286593651 /nfs/dbraw/zinc/59/36/51/1286593651.db2.gz UNYSKFPTEFSTLF-QWRGUYRKSA-N -2 0 371.415 0.105 20 0 FCADRL Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)c1 ZINC001601044279 1286620551 /nfs/dbraw/zinc/62/05/51/1286620551.db2.gz NCKJZDYZGYVYTJ-UHFFFAOYSA-N -2 0 360.355 0.771 20 0 FCADRL NC(=O)[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC001601145486 1286653558 /nfs/dbraw/zinc/65/35/58/1286653558.db2.gz QIHMSPQSSXWSHI-STQMWFEESA-N -2 0 368.411 0.623 20 0 FCADRL NC(=O)c1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC001601168761 1286671181 /nfs/dbraw/zinc/67/11/81/1286671181.db2.gz CABQLGUMDXZVLM-UHFFFAOYSA-N -2 0 362.363 0.744 20 0 FCADRL O=C([O-])[C@H](CCF)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001601327216 1286729019 /nfs/dbraw/zinc/72/90/19/1286729019.db2.gz IALKSYHXJGVCQF-VIFPVBQESA-N -2 0 354.306 0.172 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)COCc2cccnc2)cc1 ZINC001601339450 1286731041 /nfs/dbraw/zinc/73/10/41/1286731041.db2.gz OZPVASSEWOMGOJ-UHFFFAOYSA-N -2 0 364.379 0.943 20 0 FCADRL O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)c1nc[n-]c(=O)c1Br ZINC001601413309 1286741751 /nfs/dbraw/zinc/74/17/51/1286741751.db2.gz WOVLXFZXFTVMQH-RQJHMYQMSA-N -2 0 360.164 0.697 20 0 FCADRL O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1cc(Br)cc(F)c1[O-] ZINC001601428129 1286745301 /nfs/dbraw/zinc/74/53/01/1286745301.db2.gz HEUBMQFEMYQMBN-SECBINFHSA-N -2 0 373.138 0.769 20 0 FCADRL O=C([O-])[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001601661235 1286802043 /nfs/dbraw/zinc/80/20/43/1286802043.db2.gz QYHDCBDNYGKAPP-GFCCVEGCSA-N -2 0 359.375 0.996 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([C@@H]2CCCO2)CCN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001601749986 1286821228 /nfs/dbraw/zinc/82/12/28/1286821228.db2.gz MIXNFKALMKGXPD-SRVKXCTJSA-N -2 0 361.416 0.525 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([C@H]2CCCO2)CCN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001601749987 1286821448 /nfs/dbraw/zinc/82/14/48/1286821448.db2.gz MIXNFKALMKGXPD-TUAOUCFPSA-N -2 0 361.416 0.525 20 0 FCADRL O=C([O-])C1CC2(C1)CN(C(=O)CCOCC(F)(F)F)C[C@H]2C(=O)[O-] ZINC001601781448 1286833047 /nfs/dbraw/zinc/83/30/47/1286833047.db2.gz OEENDKBWMUSTKY-JVVWGOMOSA-N -2 0 353.293 0.979 20 0 FCADRL O=C([O-])[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccc(O)cc1 ZINC001601830575 1286845441 /nfs/dbraw/zinc/84/54/41/1286845441.db2.gz RFZKZULHEDSQNA-GFCCVEGCSA-N -2 0 358.372 0.149 20 0 FCADRL O=C([O-])[C@@H]1CSCCN1C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC001601858774 1286856377 /nfs/dbraw/zinc/85/63/77/1286856377.db2.gz WZPMAEYYHJAPKB-NSHDSACASA-N -2 0 365.436 0.714 20 0 FCADRL O=C([O-])[C@@H]1c2ccccc2OCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001601871846 1286860104 /nfs/dbraw/zinc/86/01/04/1286860104.db2.gz LGBCKCKPPAERHG-AWEZNQCLSA-N -2 0 369.337 0.118 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1scnc1C(=O)[O-])C1CCOCC1 ZINC001601909464 1286867405 /nfs/dbraw/zinc/86/74/05/1286867405.db2.gz RKPDSFMRGQOTOD-QMMMGPOBSA-N -2 0 364.401 0.390 20 0 FCADRL O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N2CCc3c(cccc3C(=O)[O-])C2)C1 ZINC001601949636 1286882454 /nfs/dbraw/zinc/88/24/54/1286882454.db2.gz ROOPIJPCHJYFPR-GFCCVEGCSA-N -2 0 374.393 0.983 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cnn(CCC(F)(F)F)c1 ZINC001601998956 1286892612 /nfs/dbraw/zinc/89/26/12/1286892612.db2.gz CVMULOUDADMUQQ-UHFFFAOYSA-N -2 0 357.310 0.760 20 0 FCADRL O=C([O-])CCNC(=O)CCNC(=O)c1ncc(Br)cc1[O-] ZINC001602019559 1286902260 /nfs/dbraw/zinc/90/22/60/1286902260.db2.gz MTCCKYQCZMYKEA-UHFFFAOYSA-N -2 0 360.164 0.261 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)C1CCC(NC(=O)C2CCCC2)CC1 ZINC001602027465 1286907237 /nfs/dbraw/zinc/90/72/37/1286907237.db2.gz FFBPJUSJOHXWGN-UHFFFAOYSA-N -2 0 374.459 0.772 20 0 FCADRL O=C([O-])CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001602025523 1286907778 /nfs/dbraw/zinc/90/77/78/1286907778.db2.gz QBUQJNSUMXKNBE-SNVBAGLBSA-N -2 0 350.327 0.412 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC001602027655 1286908843 /nfs/dbraw/zinc/90/88/43/1286908843.db2.gz IYXRTAVEPBDDLU-NSHDSACASA-N -2 0 354.384 0.498 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001602027609 1286909015 /nfs/dbraw/zinc/90/90/15/1286909015.db2.gz GYFHSPAJWAUDJP-ZDUSSCGKSA-N -2 0 368.411 0.460 20 0 FCADRL O=C([O-])CNC(=O)Cc1ccc(NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC001602072963 1286927594 /nfs/dbraw/zinc/92/75/94/1286927594.db2.gz MRRPJIOTMPYTIR-WCQYABFASA-N -2 0 363.370 0.805 20 0 FCADRL O=C([O-])CSCC(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001602097059 1286934406 /nfs/dbraw/zinc/93/44/06/1286934406.db2.gz HBQRKKPMIHZCCP-MRVPVSSYSA-N -2 0 358.397 0.486 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)N2CCc3c(cccc3C(=O)[O-])C2)cn1 ZINC001602163927 1286954261 /nfs/dbraw/zinc/95/42/61/1286954261.db2.gz XUVRTLCVRCSQQF-UHFFFAOYSA-N -2 0 365.367 0.413 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2nnc(-c3cccs3)o2)cn1 ZINC001602164968 1286955457 /nfs/dbraw/zinc/95/54/57/1286955457.db2.gz XBQSROYSTVDDME-UHFFFAOYSA-N -2 0 355.357 0.880 20 0 FCADRL O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001602190810 1286962065 /nfs/dbraw/zinc/96/20/65/1286962065.db2.gz JLCZAPNQBOQMBD-SVRRBLITSA-N -2 0 350.249 0.118 20 0 FCADRL O=C([O-])c1cc(F)cc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC001602273416 1286980353 /nfs/dbraw/zinc/98/03/53/1286980353.db2.gz UWZSGDJFKXQIIG-YMTOWFKASA-N -2 0 359.331 0.246 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C2)c[nH]1 ZINC001602292603 1286983722 /nfs/dbraw/zinc/98/37/22/1286983722.db2.gz ZORVVPKSQPQCOS-BQBZGAKWSA-N -2 0 356.278 0.597 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cs1 ZINC001602293421 1286984753 /nfs/dbraw/zinc/98/47/53/1286984753.db2.gz QUJXCVKSNGEQGV-SNVBAGLBSA-N -2 0 356.381 0.816 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(F)(F)F)n[nH]1 ZINC001602293890 1286985266 /nfs/dbraw/zinc/98/52/66/1286985266.db2.gz UENIRRFWEFPAHR-HTRCEHHLSA-N -2 0 357.310 0.886 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1 ZINC001602392807 1286993169 /nfs/dbraw/zinc/99/31/69/1286993169.db2.gz GAEACPPMKPHEEF-WDEREUQCSA-N -3 0 357.340 0.181 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N[C@H](CC2CCOCC2)C(=O)[O-])cn1 ZINC001602395962 1286994461 /nfs/dbraw/zinc/99/44/61/1286994461.db2.gz KCWFUDYARCFICK-GFCCVEGCSA-N -2 0 358.372 0.328 20 0 FCADRL O=C([O-])c1ccc2[nH]c(CNC(=O)c3c[n-]n4c3nccc4=O)nc2c1 ZINC001602407228 1286998218 /nfs/dbraw/zinc/99/82/18/1286998218.db2.gz BFNAQFARXUREBV-UHFFFAOYSA-N -2 0 352.310 0.527 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC001602451315 1287002938 /nfs/dbraw/zinc/00/29/38/1287002938.db2.gz HHFZMSRBDNWBBP-SNVBAGLBSA-N -2 0 352.368 0.201 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2cncc(-n3ccnn3)c2)c1 ZINC001602451933 1287003706 /nfs/dbraw/zinc/00/37/06/1287003706.db2.gz UNMOCHNBIYOARB-UHFFFAOYSA-N -2 0 373.350 0.479 20 0 FCADRL O=C([O-])c1ccsc1N1CC[C@H](NC(=O)[C@H](C(=O)[O-])C2CC2)C1=O ZINC001602489994 1287011272 /nfs/dbraw/zinc/01/12/72/1287011272.db2.gz HEXBQFGTNJSZOM-VHSXEESVSA-N -2 0 352.368 0.779 20 0 FCADRL O=C([O-])c1cn([C@H]2CCCN(C(=O)NC[C@H](C(=O)[O-])C3CCC3)C2)nn1 ZINC001602494277 1287013713 /nfs/dbraw/zinc/01/37/13/1287013713.db2.gz RFITZGGPCGTCQR-RYUDHWBXSA-N -2 0 365.390 0.824 20 0 FCADRL O=C([O-])[C@]1(O)CCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])C1 ZINC001602629985 1287039540 /nfs/dbraw/zinc/03/95/40/1287039540.db2.gz XQAMLQQEMXFHRQ-HNNXBMFYSA-N -2 0 353.281 0.518 20 0 FCADRL CCOc1cnc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cn1 ZINC001605714939 1288058738 /nfs/dbraw/zinc/05/87/38/1288058738.db2.gz UCIBIIWNDLDMNT-UHFFFAOYSA-N -2 0 357.369 0.754 20 0 FCADRL CCc1ccc(N2C[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])CC2=O)cc1 ZINC001605816421 1288093526 /nfs/dbraw/zinc/09/35/26/1288093526.db2.gz ORTDPEBSSVYWSX-CMPLNLGQSA-N -2 0 368.411 0.521 20 0 FCADRL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])[nH]2)cc1 ZINC001606007301 1288127904 /nfs/dbraw/zinc/12/79/04/1288127904.db2.gz CRDZKNMSLMHOCR-UHFFFAOYSA-N -2 0 365.367 0.533 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])n(C)n2)c1 ZINC001606042138 1288144024 /nfs/dbraw/zinc/14/40/24/1288144024.db2.gz AAFNXYBTKRMGLT-UHFFFAOYSA-N -2 0 368.371 0.327 20 0 FCADRL CNC(=O)C1(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CCC1 ZINC001606261502 1288240934 /nfs/dbraw/zinc/24/09/34/1288240934.db2.gz SCOLUXCWRIHBAH-UHFFFAOYSA-N -2 0 354.384 0.247 20 0 FCADRL COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)cc2)[n-]1 ZINC001606481264 1288339807 /nfs/dbraw/zinc/33/98/07/1288339807.db2.gz UDMUAYNYLNPJEZ-HAQNSBGRSA-N -2 0 373.365 0.474 20 0 FCADRL COC(=O)Cc1cccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC001606480223 1288339899 /nfs/dbraw/zinc/33/98/99/1288339899.db2.gz VJGVLLCUNIILEN-UWVGGRQHSA-N -2 0 357.384 0.571 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(OC)cc2)on1 ZINC001606564517 1288387903 /nfs/dbraw/zinc/38/79/03/1288387903.db2.gz KPOSZRLXTVQLJV-GFCCVEGCSA-N -2 0 370.339 0.574 20 0 FCADRL Cn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2=O ZINC001609482265 1289176495 /nfs/dbraw/zinc/17/64/95/1289176495.db2.gz RAGQJIIXPZYMIN-UHFFFAOYSA-N -2 0 373.398 0.920 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c1 ZINC001606581394 1288394891 /nfs/dbraw/zinc/39/48/91/1288394891.db2.gz UYBIUSDFIPSNLZ-KYZUINATSA-N -2 0 357.340 0.313 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@H](C)C(=O)[O-] ZINC001606583108 1288395574 /nfs/dbraw/zinc/39/55/74/1288395574.db2.gz HSJXMDQAPZNBPL-JGVFFNPUSA-N -2 0 359.356 0.559 20 0 FCADRL COC(=O)c1ccc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)cc1C(=O)[O-] ZINC001606595262 1288401689 /nfs/dbraw/zinc/40/16/89/1288401689.db2.gz PMSZHVXTYJFJGG-VIFPVBQESA-N -2 0 366.326 0.194 20 0 FCADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001606637963 1288420144 /nfs/dbraw/zinc/42/01/44/1288420144.db2.gz JOWZGMMVQUFRHT-LURJTMIESA-N -2 0 363.369 0.471 20 0 FCADRL CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001606652927 1288424315 /nfs/dbraw/zinc/42/43/15/1288424315.db2.gz OVOORSQKSWYERL-PIGZYNQJSA-N -2 0 350.371 0.912 20 0 FCADRL CO[C@H](C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(=O)[O-])C1CC1 ZINC001606667848 1288429822 /nfs/dbraw/zinc/42/98/22/1288429822.db2.gz CPPGZUABSYSAFP-WDEREUQCSA-N -2 0 361.372 0.833 20 0 FCADRL CO[C@@H](CS(=O)(=O)[N-]c1nc(CC(=O)[O-])cs1)[C@@H]1CCOC1 ZINC001606683623 1288439122 /nfs/dbraw/zinc/43/91/22/1288439122.db2.gz XVPVVZHZWUQURS-SCZZXKLOSA-N -2 0 350.418 0.563 20 0 FCADRL COC[C@](C)(CC(=O)[O-])NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001606779259 1288510518 /nfs/dbraw/zinc/51/05/18/1288510518.db2.gz ISSZZZCFEZUJBA-DYVFJYSZSA-N -2 0 363.370 0.702 20 0 FCADRL COC[C@](C)([N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F)C(=O)[O-] ZINC001606791229 1288520691 /nfs/dbraw/zinc/52/06/91/1288520691.db2.gz IHVJODDWIJZYOI-YTEVENLXSA-N -2 0 368.408 0.607 20 0 FCADRL COC[C@](C)([N-]S(=O)(=O)c1nc(C)c(Br)s1)C(=O)[O-] ZINC001606791456 1288521471 /nfs/dbraw/zinc/52/14/71/1288521471.db2.gz ACVMXPHKRNHMOG-VIFPVBQESA-N -2 0 373.250 0.982 20 0 FCADRL COCCOc1ccnc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC001606917606 1288562643 /nfs/dbraw/zinc/56/26/43/1288562643.db2.gz QIXJVMRLZVRHRG-UHFFFAOYSA-N -2 0 367.383 0.930 20 0 FCADRL O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001607014696 1288591062 /nfs/dbraw/zinc/59/10/62/1288591062.db2.gz FYBYUWHYBZFALH-UHFFFAOYSA-N -2 0 356.346 0.416 20 0 FCADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@@H](CCSC)C(=O)[O-] ZINC001607142938 1288673039 /nfs/dbraw/zinc/67/30/39/1288673039.db2.gz LKLICEUAYWEDCJ-VIFPVBQESA-N -2 0 363.413 0.878 20 0 FCADRL COc1ccc(-n2cc([O-])c(C(=O)NC3(C(=O)[O-])CC(CO)C3)n2)cc1 ZINC001607199021 1288683104 /nfs/dbraw/zinc/68/31/04/1288683104.db2.gz AEVBOOZOJZAYKK-UHFFFAOYSA-N -2 0 361.354 0.542 20 0 FCADRL COc1ccc([C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C(=O)[O-])cc1Cl ZINC001607226608 1288687615 /nfs/dbraw/zinc/68/76/15/1288687615.db2.gz KFIWUGKPUROHQX-SNVBAGLBSA-N -2 0 356.722 0.293 20 0 FCADRL COc1ccc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])c(C(F)(F)F)n1 ZINC001607274867 1288692330 /nfs/dbraw/zinc/69/23/30/1288692330.db2.gz ZPVJMWQRTRLZOU-UHFFFAOYSA-N -2 0 365.264 0.960 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ncn2)c(CC(=O)[O-])c1 ZINC001607289645 1288695849 /nfs/dbraw/zinc/69/58/49/1288695849.db2.gz DNHTXMLFAHXZCV-UHFFFAOYSA-N -2 0 366.399 0.979 20 0 FCADRL CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])o2)c1 ZINC001607383939 1288703781 /nfs/dbraw/zinc/70/37/81/1288703781.db2.gz QWBMMVNDWCLZOP-UHFFFAOYSA-N -2 0 373.364 0.500 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])nnn1-c1cccc(Cl)c1 ZINC001607509311 1288721518 /nfs/dbraw/zinc/72/15/18/1288721518.db2.gz VVRCJGQJVQOQKZ-MRVPVSSYSA-N -2 0 372.790 0.762 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)c(C(=O)[O-])c1 ZINC001607817529 1288740338 /nfs/dbraw/zinc/74/03/38/1288740338.db2.gz ZELBWGGFWQRHPZ-GXFFZTMASA-N -2 0 357.384 0.539 20 0 FCADRL Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3cnc(C(=O)[O-])cn3)ccc21 ZINC001608077285 1288765683 /nfs/dbraw/zinc/76/56/83/1288765683.db2.gz NKJAKSNMVQPPEC-UHFFFAOYSA-N -2 0 350.312 0.421 20 0 FCADRL Cn1cc(CCC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)nn1 ZINC001608108741 1288769841 /nfs/dbraw/zinc/76/98/41/1288769841.db2.gz SSYVOFWKGZTOIP-UHFFFAOYSA-N -2 0 372.790 0.604 20 0 FCADRL Cn1cc(C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)C(=O)[O-])cn1 ZINC001608110641 1288770903 /nfs/dbraw/zinc/77/09/03/1288770903.db2.gz KCYNVVXEHCPKOW-LLVKDONJSA-N -2 0 371.346 0.232 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)c(C(F)(F)F)n1 ZINC001608122262 1288775086 /nfs/dbraw/zinc/77/50/86/1288775086.db2.gz JJUPXCMJPGKHOW-UHFFFAOYSA-N -2 0 353.282 0.671 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)CCn2ccccc2=O)c1 ZINC001608324105 1288818904 /nfs/dbraw/zinc/81/89/04/1288818904.db2.gz OYTOPWGEELLQSE-UHFFFAOYSA-N -2 0 350.352 0.442 20 0 FCADRL O=C([O-])[C@@H](CNC(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)C1CCC1 ZINC001608420590 1288840886 /nfs/dbraw/zinc/84/08/86/1288840886.db2.gz SPBSQTVXOPQWPL-NWDGAFQWSA-N -2 0 352.387 0.317 20 0 FCADRL O=C([O-])[C@@H](O)CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 ZINC001608459588 1288844917 /nfs/dbraw/zinc/84/49/17/1288844917.db2.gz IICZLKFWZOGNEE-LBPRGKRZSA-N -2 0 371.346 0.130 20 0 FCADRL O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1c[n-]n2c1nccc2=O ZINC001608485344 1288848805 /nfs/dbraw/zinc/84/88/05/1288848805.db2.gz CGZRWNRXCFNXGB-AWEZNQCLSA-N -2 0 365.349 0.930 20 0 FCADRL O=C([O-])c1cn(-c2cccc(NC(=O)C(=O)[N-]OCC3CCC3)c2)nn1 ZINC001608484964 1288849465 /nfs/dbraw/zinc/84/94/65/1288849465.db2.gz WMGAUSFVNDHLQA-UHFFFAOYSA-N -2 0 359.342 0.752 20 0 FCADRL O=C([O-])CCCNS(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001608715467 1288868315 /nfs/dbraw/zinc/86/83/15/1288868315.db2.gz LFNRVBCDBYPLIR-UHFFFAOYSA-N -2 0 356.150 0.883 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cccc(OCC(F)F)n1 ZINC001608718215 1288869039 /nfs/dbraw/zinc/86/90/39/1288869039.db2.gz CLTURPOBJNISHM-UHFFFAOYSA-N -2 0 352.315 0.650 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001608744575 1288872829 /nfs/dbraw/zinc/87/28/29/1288872829.db2.gz MPOIRJJBUZDIGR-UHFFFAOYSA-N -3 0 351.720 0.198 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCc3ncncc3C2)s1 ZINC001608910717 1288878442 /nfs/dbraw/zinc/87/84/42/1288878442.db2.gz IDHPASWKPCQNHA-QMMMGPOBSA-N -2 0 367.408 0.846 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1 ZINC001608932087 1288879539 /nfs/dbraw/zinc/87/95/39/1288879539.db2.gz LUSOTCLXYADDOD-NWDGAFQWSA-N -3 0 371.367 0.322 20 0 FCADRL O=C(OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@H]1CC12CCOCC2 ZINC001609575730 1289236248 /nfs/dbraw/zinc/23/62/48/1289236248.db2.gz FXAQWWPZVVLLHQ-LLVKDONJSA-N -2 0 371.357 0.475 20 0 FCADRL CC(=O)Nc1ncc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])n2)s1 ZINC001609626063 1289267514 /nfs/dbraw/zinc/26/75/14/1289267514.db2.gz TVVBZCDYXJGGGH-UHFFFAOYSA-N -2 0 356.385 0.924 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1ccccc1C(N)=O ZINC001609638150 1289270110 /nfs/dbraw/zinc/27/01/10/1289270110.db2.gz BDYOWGRSSXATOH-VHSXEESVSA-N -2 0 356.400 0.273 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)COc1cccc(Br)c1 ZINC001609642210 1289271466 /nfs/dbraw/zinc/27/14/66/1289271466.db2.gz IIIAFDTWZXMXOD-ZETCQYMHSA-N -2 0 366.189 0.747 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC001609642215 1289271616 /nfs/dbraw/zinc/27/16/16/1289271616.db2.gz IQVDOONUWRHTBV-GZMMTYOYSA-N -2 0 358.347 0.098 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(OCC(F)(F)F)n1 ZINC001609643342 1289271723 /nfs/dbraw/zinc/27/17/23/1289271723.db2.gz MHQGASOXRFFPQM-LURJTMIESA-N -2 0 356.278 0.555 20 0 FCADRL CC(C)(C)CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1 ZINC001609657514 1289274732 /nfs/dbraw/zinc/27/47/32/1289274732.db2.gz ROMAOIONAUHUJD-UHFFFAOYSA-N -2 0 356.400 0.607 20 0 FCADRL CC(C)(C)n1cc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])cn1 ZINC001609672346 1289278130 /nfs/dbraw/zinc/27/81/30/1289278130.db2.gz FMGHHCZSHDDVAV-UHFFFAOYSA-N -2 0 358.401 0.912 20 0 FCADRL C[C@H](CS(=O)(=O)N[C@@H](CCC(=O)c1ccccc1)C(=O)[O-])C(=O)[O-] ZINC001609750939 1289290307 /nfs/dbraw/zinc/29/03/07/1289290307.db2.gz TZMFAWJAEMPEFX-PWSUYJOCSA-N -2 0 357.384 0.743 20 0 FCADRL C[C@@H]1C(=O)CC[C@H](C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1(C)C ZINC001609829635 1289307071 /nfs/dbraw/zinc/30/70/71/1289307071.db2.gz DBVBLZRSRYVJAR-ZYHUDNBSSA-N -2 0 374.459 0.785 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC001609847469 1289311303 /nfs/dbraw/zinc/31/13/03/1289311303.db2.gz YKCRGFHNXNWUKA-VDDIYKPWSA-N -2 0 354.384 0.814 20 0 FCADRL CC[C@H](C)n1nc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1C ZINC001609911328 1289327105 /nfs/dbraw/zinc/32/71/05/1289327105.db2.gz PYDDLBGPGPBMRR-JTQLQIEISA-N -2 0 372.447 0.934 20 0 FCADRL CC[C@@H](C)n1ncc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1C ZINC001609909766 1289327400 /nfs/dbraw/zinc/32/74/00/1289327400.db2.gz FIDKGZAWBLHGCA-SNVBAGLBSA-N -2 0 372.447 0.934 20 0 FCADRL CC[C@H](NC(=O)c1cccc(C(=O)N[C@@H](CC)C(=O)OC)c1[O-])C(=O)[O-] ZINC001609929336 1289330159 /nfs/dbraw/zinc/33/01/59/1289330159.db2.gz ZJSLLALTVFQECV-RYUDHWBXSA-N -2 0 366.370 0.667 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C1=O ZINC001609941627 1289330901 /nfs/dbraw/zinc/33/09/01/1289330901.db2.gz LGPBTQZLNDCEDW-AWEZNQCLSA-N -2 0 371.371 0.064 20 0 FCADRL CCC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1OC)C(=O)[O-] ZINC001609981959 1289336641 /nfs/dbraw/zinc/33/66/41/1289336641.db2.gz GZIWATNLCUZVRA-MRVPVSSYSA-N -2 0 361.372 0.934 20 0 FCADRL CCOC(=O)c1[nH]c(=O)n(-c2cccc(CSCC(=O)[O-])c2)c1[O-] ZINC001610015179 1289346011 /nfs/dbraw/zinc/34/60/11/1289346011.db2.gz VVKZZKCWEPLDIS-LBPRGKRZSA-N -2 0 352.368 0.992 20 0 FCADRL CCOC(=O)c1cnc(C)c([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC001610024327 1289349161 /nfs/dbraw/zinc/34/91/61/1289349161.db2.gz RACIICSNJYAWFP-UHFFFAOYSA-N -2 0 368.371 0.649 20 0 FCADRL CCO[C@H]1C[C@](NS(=O)(=O)c2cc(C(=O)[O-])co2)(C(=O)[O-])C1(C)C ZINC001610027823 1289350387 /nfs/dbraw/zinc/35/03/87/1289350387.db2.gz AIOMXQXVBBNCNM-XPTSAGLGSA-N -2 0 361.372 0.915 20 0 FCADRL CCO[N-]C(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC001610038692 1289354519 /nfs/dbraw/zinc/35/45/19/1289354519.db2.gz SLWQIKXXABDUHC-CYBMUJFWSA-N -2 0 363.370 0.772 20 0 FCADRL CN(C)C(=O)c1ccnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC001610096620 1289369898 /nfs/dbraw/zinc/36/98/98/1289369898.db2.gz KJBGICZQTQHZHS-UHFFFAOYSA-N -2 0 350.356 0.677 20 0 FCADRL CNC(=O)c1cc(S(=O)(=O)[N-]c2c(C)ccc(C(=O)[O-])c2O)cn1C ZINC001610141287 1289394209 /nfs/dbraw/zinc/39/42/09/1289394209.db2.gz LFRJBFINAFREOA-UHFFFAOYSA-N -2 0 367.383 0.898 20 0 FCADRL COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001610187958 1289416334 /nfs/dbraw/zinc/41/63/34/1289416334.db2.gz WHRDGVFNRWLXMF-UHFFFAOYSA-N -2 0 364.763 0.541 20 0 FCADRL COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001610259057 1289440640 /nfs/dbraw/zinc/44/06/40/1289440640.db2.gz YJRPJCYAMMSGLJ-ZETCQYMHSA-N -2 0 366.779 0.543 20 0 FCADRL COCCOc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])ccn1 ZINC001610262677 1289442766 /nfs/dbraw/zinc/44/27/66/1289442766.db2.gz ZTQJTMKOBPOHJS-VHSXEESVSA-N -2 0 360.388 0.276 20 0 FCADRL COc1cc(NC(=O)CS(=O)(=O)c2ncc(C(=O)[O-])[n-]2)cc(OC)c1 ZINC001610301364 1289456837 /nfs/dbraw/zinc/45/68/37/1289456837.db2.gz XQHOQJHTARZJQA-UHFFFAOYSA-N -2 0 369.355 0.538 20 0 FCADRL COc1cc2c(cc1C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])OCO2 ZINC001610308352 1289457948 /nfs/dbraw/zinc/45/79/48/1289457948.db2.gz UHXPQROVKBEQDM-YUMQZZPRSA-N -2 0 359.356 0.593 20 0 FCADRL COc1ccc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])nc1Br ZINC001610313104 1289459004 /nfs/dbraw/zinc/45/90/04/1289459004.db2.gz VXHCXPVIXYQKJS-UHFFFAOYSA-N -2 0 367.177 0.387 20 0 FCADRL COc1ccc(COCC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC001610336035 1289462251 /nfs/dbraw/zinc/46/22/51/1289462251.db2.gz BYGSCBPELYLJEX-GHMZBOCLSA-N -2 0 359.400 0.767 20 0 FCADRL COc1ccc(NC(=O)CS(=O)(=O)c2ncc(C(=O)[O-])[n-]2)c(OC)c1 ZINC001610340261 1289463292 /nfs/dbraw/zinc/46/32/92/1289463292.db2.gz GHWMHOHDEPEANS-UHFFFAOYSA-N -2 0 369.355 0.538 20 0 FCADRL COc1cccc([C@@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C(=O)[O-])c1 ZINC001610355933 1289468762 /nfs/dbraw/zinc/46/87/62/1289468762.db2.gz YRXUZRCZRLQTBB-CYBMUJFWSA-N -2 0 369.355 0.081 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001610396206 1289480022 /nfs/dbraw/zinc/48/00/22/1289480022.db2.gz BWMMKCLKXFLPOI-PJXYFTJBSA-N -2 0 355.354 0.279 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC001610409070 1289482027 /nfs/dbraw/zinc/48/20/27/1289482027.db2.gz XSCSXQZAEKASAI-GWCFXTLKSA-N -2 0 357.384 0.539 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2csnc2C(=O)[O-])cccc1-n1cnnn1 ZINC001610427133 1289485957 /nfs/dbraw/zinc/48/59/57/1289485957.db2.gz OHBBPDHFLXAAAL-UHFFFAOYSA-N -2 0 366.384 0.926 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2cccc3c2OCCO3)cnn1CC(=O)[O-] ZINC001610426728 1289486029 /nfs/dbraw/zinc/48/60/29/1289486029.db2.gz BHFCFWLWBGKOGB-UHFFFAOYSA-N -2 0 353.356 0.848 20 0 FCADRL Cc1c(S(=O)(=O)[N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)cnn1C ZINC001610428520 1289486520 /nfs/dbraw/zinc/48/65/20/1289486520.db2.gz QEQNCMBZNAHMIY-UHFFFAOYSA-N -2 0 355.416 0.959 20 0 FCADRL Cc1cccc(-n2cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])nn2)c1 ZINC001610518222 1289499746 /nfs/dbraw/zinc/49/97/46/1289499746.db2.gz AURFPVCMULIVIE-GHMZBOCLSA-N -2 0 366.399 0.745 20 0 FCADRL Cc1csc2ncc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])c(=O)n12 ZINC001610548954 1289507237 /nfs/dbraw/zinc/50/72/37/1289507237.db2.gz CLBLAGPTQGJZHC-JGVFFNPUSA-N -2 0 373.412 0.233 20 0 FCADRL Cc1nn(CC(F)(F)F)c(C)c1CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001610570202 1289513077 /nfs/dbraw/zinc/51/30/77/1289513077.db2.gz FNVSBHDVGHVJCE-QMMMGPOBSA-N -2 0 371.337 0.524 20 0 FCADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC001610576731 1289516114 /nfs/dbraw/zinc/51/61/14/1289516114.db2.gz GQXQGJLRJZVPTK-UHFFFAOYSA-N -2 0 367.383 0.836 20 0 FCADRL Cn1nccc1[C@H](NS(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC001610616039 1289530911 /nfs/dbraw/zinc/53/09/11/1289530911.db2.gz BGJMZBXGDZGYRT-LBPRGKRZSA-N -2 0 353.356 0.364 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC001610652484 1289542583 /nfs/dbraw/zinc/54/25/83/1289542583.db2.gz VXZGZXUZRGMVSU-SECBINFHSA-N -2 0 354.375 0.970 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)C2Cc3ccccc3C2)CC1 ZINC001610745126 1289575993 /nfs/dbraw/zinc/57/59/93/1289575993.db2.gz YWGKYOMUFOHSNT-UHFFFAOYSA-N -2 0 352.412 0.559 20 0 FCADRL O=C([O-])[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1cccc(F)c1 ZINC001610745050 1289576390 /nfs/dbraw/zinc/57/63/90/1289576390.db2.gz SDADYKOQFHETQU-GFCCVEGCSA-N -2 0 360.363 0.582 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC001610753744 1289578084 /nfs/dbraw/zinc/57/80/84/1289578084.db2.gz WFOJCABBHXWYFI-PKFCDNJMSA-N -3 0 363.388 0.211 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cn(-c2cccc(Cl)c2)nn1 ZINC001610771576 1289586453 /nfs/dbraw/zinc/58/64/53/1289586453.db2.gz HNYJXMLKONSGAI-UHFFFAOYSA-N -2 0 372.790 0.845 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)Cc1cccc(N2CCCC2=O)c1 ZINC001610771636 1289586618 /nfs/dbraw/zinc/58/66/18/1289586618.db2.gz NWPCNQJKLHLTCT-UHFFFAOYSA-N -2 0 368.411 0.667 20 0 FCADRL O=C([O-])CCOc1ccc(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)cc1 ZINC001610776020 1289587558 /nfs/dbraw/zinc/58/75/58/1289587558.db2.gz JHJPSQFPUHXOPX-BONVTDFDSA-N -2 0 355.368 0.635 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)c1cc2c(c(Br)c1)OCO2 ZINC001610789457 1289594733 /nfs/dbraw/zinc/59/47/33/1289594733.db2.gz RSKNESMBBPHBQF-UHFFFAOYSA-N -2 0 366.145 0.322 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)Nc2cc(F)cc(C(=O)[O-])c2F)cn1 ZINC001610801031 1289596973 /nfs/dbraw/zinc/59/69/73/1289596973.db2.gz GGMAZHCYGVTZOD-UHFFFAOYSA-N -2 0 361.282 0.745 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)n1 ZINC001610800727 1289597436 /nfs/dbraw/zinc/59/74/36/1289597436.db2.gz BSXAIIPUZATFJN-UHFFFAOYSA-N -2 0 351.266 0.577 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cn(Cc3ccccc3)nn2)cn1 ZINC001610801546 1289598701 /nfs/dbraw/zinc/59/87/01/1289598701.db2.gz VJCLRYZAIHAOGY-UHFFFAOYSA-N -2 0 362.371 0.408 20 0 FCADRL O=C([O-])c1cc(F)ccc1S(=O)(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001610815814 1289599171 /nfs/dbraw/zinc/59/91/71/1289599171.db2.gz VCKWDAWHTLVEOQ-UHFFFAOYSA-N -2 0 370.362 0.916 20 0 FCADRL O=C([O-])c1cc(Br)c(S(=O)(=O)N2CC(C(=O)[O-])C2)s1 ZINC001610807960 1289599843 /nfs/dbraw/zinc/59/98/43/1289599843.db2.gz NJHCBAPPDANBNU-UHFFFAOYSA-N -2 0 370.202 0.914 20 0 FCADRL O=C([O-])c1ccc(F)c(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)c1 ZINC001610832164 1289602708 /nfs/dbraw/zinc/60/27/08/1289602708.db2.gz TVBZSINXBFQZBT-CABZTGNLSA-N -2 0 361.347 0.370 20 0 FCADRL O=C([O-])c1ccccc1CS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC001610853815 1289606894 /nfs/dbraw/zinc/60/68/94/1289606894.db2.gz FLWKCCAEEFAYDO-VXGBXAGGSA-N -3 0 371.367 0.322 20 0 FCADRL CCn1ncn([N-]C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])c1=O ZINC001625350120 1290336427 /nfs/dbraw/zinc/33/64/27/1290336427.db2.gz WCMWPCBBYXLIRD-UHFFFAOYSA-N -2 0 350.285 0.618 20 0 FCADRL Cn1nncc1CNS(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000394947511 836064681 /nfs/dbraw/zinc/06/46/81/836064681.db2.gz JHANYKLPVPTCTJ-UHFFFAOYSA-N -2 0 365.165 0.347 20 0 FCADRL COC(=O)c1onc(C)c1NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148917031 849620554 /nfs/dbraw/zinc/62/05/54/849620554.db2.gz JLCATQRHCAOTME-UHFFFAOYSA-N -2 0 356.312 0.974 20 0 FCADRL CC(=O)Nc1cc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])ncn1 ZINC001148915242 849620627 /nfs/dbraw/zinc/62/06/27/849620627.db2.gz MYZVBAZMCXYLCI-UHFFFAOYSA-N -2 0 352.328 0.640 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cccn2c(Br)cnc12 ZINC001153233731 849740283 /nfs/dbraw/zinc/74/02/83/849740283.db2.gz HISIULUDSYYAAJ-UHFFFAOYSA-N -2 0 364.092 0.936 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1ncc2cc(Br)ccn21 ZINC001157294881 849961492 /nfs/dbraw/zinc/96/14/92/849961492.db2.gz MMIUMOXIFXDQKD-UHFFFAOYSA-N -2 0 364.092 0.936 20 0 FCADRL CC[C@@H]1C(=O)Nc2cnc(NCCOP(=O)([O-])[O-])nc2N1C(C)C ZINC001168586291 850590269 /nfs/dbraw/zinc/59/02/69/850590269.db2.gz IMCWSUADEYECJW-SNVBAGLBSA-N -2 0 359.323 0.943 20 0 FCADRL CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCCCC[P@@](=O)([O-])O)C1 ZINC001178586015 850910155 /nfs/dbraw/zinc/91/01/55/850910155.db2.gz GJCGZELZHZAXOI-NSHDSACASA-N -2 0 366.351 0.696 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCCOP(=O)([O-])[O-])C1 ZINC001179486184 850977738 /nfs/dbraw/zinc/97/77/38/850977738.db2.gz BARWUTVWJHVZQL-QMTHXVAHSA-N -2 0 364.335 0.859 20 0 FCADRL C[C@@H](C(=O)NCCOP(=O)([O-])[O-])N(c1ccccc1)S(C)(=O)=O ZINC001182101826 851153188 /nfs/dbraw/zinc/15/31/88/851153188.db2.gz WCSZJIDIXQUUIO-JTQLQIEISA-N -2 0 366.332 0.067 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2onc(C)c2C(N)=O)cc1C(=O)[O-] ZINC001185270710 851347939 /nfs/dbraw/zinc/34/79/39/851347939.db2.gz FSGNXXARIHBMSX-UHFFFAOYSA-N -2 0 355.328 0.590 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1C(N)=O ZINC001187545039 851576719 /nfs/dbraw/zinc/57/67/19/851576719.db2.gz AJJULQHIYTZIMX-UHFFFAOYSA-N -2 0 358.763 0.671 20 0 FCADRL NC(=O)c1nccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187547968 851576979 /nfs/dbraw/zinc/57/69/79/851576979.db2.gz IOFIMJPYUUFJEE-UHFFFAOYSA-N -2 0 356.747 0.728 20 0 FCADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c([N-]S(=O)(=O)CC2CC2)c1 ZINC001188968886 851738996 /nfs/dbraw/zinc/73/89/96/851738996.db2.gz KCVXBRGYVBHRRD-UHFFFAOYSA-N -3 0 371.414 0.332 20 0 FCADRL COC(=O)[C@]1(C)COCCN1C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189887836 851836863 /nfs/dbraw/zinc/83/68/63/851836863.db2.gz SRWYVLJTCJTBMP-AWEZNQCLSA-N -2 0 359.271 0.562 20 0 FCADRL O=C([O-])c1cc(C(=O)N2CCc3nccn3CC2)cc(S(=O)(=O)[O-])c1 ZINC001189925176 851844777 /nfs/dbraw/zinc/84/47/77/851844777.db2.gz ZITIHBHICVRWLP-UHFFFAOYSA-N -2 0 365.367 0.527 20 0 FCADRL Cc1nccn1CCNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189934212 851845319 /nfs/dbraw/zinc/84/53/19/851845319.db2.gz RDLDSYFYKJIIQG-UHFFFAOYSA-N -2 0 353.356 0.566 20 0 FCADRL Cc1cnc(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)c(=O)[nH]1 ZINC001189941290 851846126 /nfs/dbraw/zinc/84/61/26/851846126.db2.gz HVZNCZJTWOIHPI-UHFFFAOYSA-N -2 0 353.312 0.276 20 0 FCADRL O=C([O-])c1cc(C(=O)N[C@@H]2CCCNC(=O)C2)cc(S(=O)(=O)[O-])c1 ZINC001189941119 851846474 /nfs/dbraw/zinc/84/64/74/851846474.db2.gz AIKRLBGCJFPDAC-SNVBAGLBSA-N -2 0 356.356 0.030 20 0 FCADRL CC(C)(C)NC(=O)CCNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189941194 851846599 /nfs/dbraw/zinc/84/65/99/851846599.db2.gz DGNNNRQDVUCGGS-UHFFFAOYSA-N -2 0 372.399 0.666 20 0 FCADRL COC(=O)c1nn(C)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192686550 852277436 /nfs/dbraw/zinc/27/74/36/852277436.db2.gz STKQHGKWHAQNIK-UHFFFAOYSA-N -2 0 369.355 0.471 20 0 FCADRL CS(=O)(=O)Nc1ccc(C(=O)NCCOP(=O)([O-])[O-])cc1F ZINC001194991246 852688050 /nfs/dbraw/zinc/68/80/50/852688050.db2.gz HFCQBGBKYHATIR-UHFFFAOYSA-N -2 0 356.268 0.036 20 0 FCADRL C[C@H]1[C@H](NC(=O)c2c([O-])c(F)c(F)c(F)c2F)C(=O)N1S(=O)(=O)[O-] ZINC001195311155 852740991 /nfs/dbraw/zinc/74/09/91/852740991.db2.gz OBAGAGGWXGETGU-GDXIOXCRSA-N -2 0 372.252 0.081 20 0 FCADRL CCOC(=O)CS(=O)(=O)[N-]c1cc(S(=O)(=O)CC)ccc1[O-] ZINC001195930497 852846893 /nfs/dbraw/zinc/84/68/93/852846893.db2.gz FQRHTEKBADBTGR-UHFFFAOYSA-N -2 0 351.402 0.491 20 0 FCADRL O=P([O-])([O-])OCCNS(=O)(=O)c1cccc(Br)n1 ZINC001196326725 852937056 /nfs/dbraw/zinc/93/70/56/852937056.db2.gz HMPXCXRBDVKBDD-UHFFFAOYSA-N -2 0 361.110 0.232 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1ccccc1C(=O)[O-])c1ccccn1 ZINC001198798439 853321627 /nfs/dbraw/zinc/32/16/27/853321627.db2.gz BAUJINHLSTUNMC-CYBMUJFWSA-N -2 0 350.352 0.972 20 0 FCADRL COc1ccc(CCOC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1OC ZINC001222286682 856822105 /nfs/dbraw/zinc/82/21/05/856822105.db2.gz LSFNTVLSWWLPNT-HZMBPMFUSA-N -2 0 356.327 0.326 20 0 FCADRL COC(=O)c1ccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1C ZINC001224203201 856969157 /nfs/dbraw/zinc/96/91/57/856969157.db2.gz JCMCWMCGRNTTMJ-YPMHNXCESA-N -2 0 354.311 0.361 20 0 FCADRL O=C([O-])C[C@H](C(=O)OCCOc1ccc2c(c1)CCC2)[C@@H](O)C(=O)[O-] ZINC001224303951 856977097 /nfs/dbraw/zinc/97/70/97/856977097.db2.gz GHGAMPRCUOGKBV-DZGCQCFKSA-N -2 0 352.339 0.634 20 0 FCADRL COC(=O)c1ccccc1CCOC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001224737990 856999636 /nfs/dbraw/zinc/99/96/36/856999636.db2.gz WRYQEFBZHCFTGF-DGCLKSJQSA-N -2 0 354.311 0.095 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@@H]1COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225052767 857016049 /nfs/dbraw/zinc/01/60/49/857016049.db2.gz IXBOQWDNKYSDAW-WCABBAIRSA-N -2 0 361.347 0.075 20 0 FCADRL O=C(Oc1ccc(F)c(Br)c1)[C@H](O)COP(=O)([O-])[O-] ZINC001225507718 857046499 /nfs/dbraw/zinc/04/64/99/857046499.db2.gz KQUCZIMFGSQWSD-MRVPVSSYSA-N -2 0 359.040 0.964 20 0 FCADRL O=C(Oc1cc(F)ccc1Br)[C@H](O)COP(=O)([O-])[O-] ZINC001225687226 857054099 /nfs/dbraw/zinc/05/40/99/857054099.db2.gz YBCGGNOJTFQEGI-SSDOTTSWSA-N -2 0 359.040 0.964 20 0 FCADRL Cc1cc(C(F)(F)F)nc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001226175752 857087947 /nfs/dbraw/zinc/08/79/47/857087947.db2.gz ZRHMWJMEKKFCLO-YLWLKBPMSA-N -2 0 352.221 0.246 20 0 FCADRL COc1cc2ncnc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c2cc1OC ZINC001226180673 857088474 /nfs/dbraw/zinc/08/84/74/857088474.db2.gz UUAHIZWKQFCORY-SECBINFHSA-N -2 0 374.242 0.023 20 0 FCADRL O=C([O-])C[C@H](O)C(=O)Oc1[n-]c(=O)nc2ccc(Br)cc21 ZINC001226291986 857096240 /nfs/dbraw/zinc/09/62/40/857096240.db2.gz INDHGUYTYCOJSW-QMMMGPOBSA-N -2 0 357.116 0.839 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ncnc2cnc(Cl)cc21)[C@H](O)C(=O)[O-] ZINC001226966510 857134809 /nfs/dbraw/zinc/13/48/09/857134809.db2.gz KFSFCKXYIOCKOL-LDWIPMOCSA-N -2 0 355.690 0.120 20 0 FCADRL CCc1cc2c(ncnc2OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])s1 ZINC001227100610 857141290 /nfs/dbraw/zinc/14/12/90/857141290.db2.gz KCKOMQWNNLZQTP-XCBNKYQSSA-N -2 0 354.340 0.696 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1[nH]c(=S)nc2cnccc21)[C@H](O)C(=O)[O-] ZINC001227886345 857182628 /nfs/dbraw/zinc/18/26/28/857182628.db2.gz SWUAAHDZAAXULO-RCOVLWMOSA-N -2 0 353.312 0.129 20 0 FCADRL COC(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1Cl ZINC001227938593 857185343 /nfs/dbraw/zinc/18/53/43/857185343.db2.gz WRZAOEREWFLTOW-SECBINFHSA-N -2 0 354.635 0.502 20 0 FCADRL CCCOC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001228004683 857188799 /nfs/dbraw/zinc/18/87/99/857188799.db2.gz DTQGPXCJUWCLLV-DGCLKSJQSA-N -2 0 354.311 0.695 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccn(-c2ccc(Cl)cc2)n1)[C@H](O)C(=O)[O-] ZINC001228003322 857188815 /nfs/dbraw/zinc/18/88/15/857188815.db2.gz WMZWZTHEKUDPJO-MFKMUULPSA-N -2 0 368.729 0.968 20 0 FCADRL CCOCc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(OC)c1 ZINC001228169286 857194573 /nfs/dbraw/zinc/19/45/73/857194573.db2.gz FRULWWCFNMADJR-IINYFYTJSA-N -2 0 356.327 0.674 20 0 FCADRL COc1cc(CC(C)=O)ccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228247816 857198190 /nfs/dbraw/zinc/19/81/90/857198190.db2.gz BNGHCOTVCVGPIH-YGRLFVJLSA-N -2 0 354.311 0.269 20 0 FCADRL Cc1nc(Br)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228706166 857224376 /nfs/dbraw/zinc/22/43/76/857224376.db2.gz GWYJDUIEWSKPTN-WKEGUHRASA-N -2 0 362.132 0.594 20 0 FCADRL Cc1cc(Br)ncc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228702268 857224773 /nfs/dbraw/zinc/22/47/73/857224773.db2.gz OCVOEFXAKGOOAM-LDWIPMOCSA-N -2 0 362.132 0.594 20 0 FCADRL COC(=O)c1cc2oc(C)cc2c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1 ZINC001228693887 857224971 /nfs/dbraw/zinc/22/49/71/857224971.db2.gz OPCOJUVXWCYYGY-SNVBAGLBSA-N -2 0 374.238 0.903 20 0 FCADRL COC(=O)c1c(F)cc(F)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228908235 857236891 /nfs/dbraw/zinc/23/68/91/857236891.db2.gz MENNGCWHYDFYJG-KBUNVGBDSA-N -2 0 362.237 0.193 20 0 FCADRL Cc1cc(=O)oc2ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc12 ZINC001229196687 857257250 /nfs/dbraw/zinc/25/72/50/857257250.db2.gz XYVGZUYMLGKKFQ-YGRLFVJLSA-N -2 0 350.279 0.543 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(Br)c(F)n1)[C@@H](O)C(=O)[O-] ZINC001229237689 857260239 /nfs/dbraw/zinc/26/02/39/857260239.db2.gz AOOOGWGSJJQIQA-RNHFCUEFSA-N -2 0 366.095 0.425 20 0 FCADRL CCOC(=O)Cc1cccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001229719017 857284631 /nfs/dbraw/zinc/28/46/31/857284631.db2.gz COJXCNZNFYBAFP-RISCZKNCSA-N -2 0 354.311 0.234 20 0 FCADRL COC(=O)c1c(Cl)cccc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001229842391 857289615 /nfs/dbraw/zinc/28/96/15/857289615.db2.gz QIWKAJRJJNFSOS-SSDOTTSWSA-N -2 0 354.635 0.502 20 0 FCADRL COc1ccc2nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])sc2n1 ZINC001229995859 857296435 /nfs/dbraw/zinc/29/64/35/857296435.db2.gz BBFVWDLIQNDBLP-ZCFIWIBFSA-N -2 0 350.245 0.076 20 0 FCADRL COC(=O)C[C@@H](C)Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-] ZINC001230147327 857307703 /nfs/dbraw/zinc/30/77/03/857307703.db2.gz UUXNOHFGYSEGPS-ZCFIWIBFSA-N -2 0 370.357 0.216 20 0 FCADRL COC(=O)c1c(C)cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1C ZINC001230308105 857324443 /nfs/dbraw/zinc/32/44/43/857324443.db2.gz KKNUBMKNNJYCMX-GWCFXTLKSA-N -2 0 354.311 0.532 20 0 FCADRL Cc1ccc2c(c1)nc(=O)[n-]c2OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230887852 857351119 /nfs/dbraw/zinc/35/11/19/857351119.db2.gz FLRJSKDVFLQDCM-KWQFWETISA-N -3 0 350.283 0.086 20 0 FCADRL COC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(C)c1C ZINC001230981777 857353855 /nfs/dbraw/zinc/35/38/55/857353855.db2.gz VINPPIAXGXFSJP-GWCFXTLKSA-N -2 0 354.311 0.532 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cnc2c(ccc(F)c2F)c1)[C@H](O)C(=O)[O-] ZINC001231154784 857356443 /nfs/dbraw/zinc/35/64/43/857356443.db2.gz UVIVHIZCRBPAFQ-OQPBUACISA-N -2 0 355.249 0.955 20 0 FCADRL O=C(Oc1cc(=O)oc2ccc(Cl)cc12)[C@H](O)COP(=O)([O-])[O-] ZINC001231178822 857356465 /nfs/dbraw/zinc/35/64/65/857356465.db2.gz UMLGPBVXVSITGY-MRVPVSSYSA-N -2 0 364.630 0.822 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cnc2c(ccc(F)c2F)c1)[C@H](O)C(=O)[O-] ZINC001231154785 857357048 /nfs/dbraw/zinc/35/70/48/857357048.db2.gz UVIVHIZCRBPAFQ-SDBXPKJASA-N -2 0 355.249 0.955 20 0 FCADRL Cc1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc(C(F)(F)F)c1 ZINC001233559790 857387267 /nfs/dbraw/zinc/38/72/67/857387267.db2.gz RCKRLCFXHVNQEG-LHLIQPBNSA-N -2 0 351.233 0.851 20 0 FCADRL CCOC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1F ZINC001233592104 857387710 /nfs/dbraw/zinc/38/77/10/857387710.db2.gz BBQOKFMJJHFORM-JOYOIKCWSA-N -2 0 358.274 0.444 20 0 FCADRL COC(=O)CCc1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001233658948 857388446 /nfs/dbraw/zinc/38/84/46/857388446.db2.gz SDJGSSWJMORLSN-SMDDNHRTSA-N -2 0 354.311 0.234 20 0 FCADRL O=C(Oc1nc(Cl)nc2ccsc21)[C@H](O)COP(=O)([O-])[O-] ZINC001233877937 857391352 /nfs/dbraw/zinc/39/13/52/857391352.db2.gz HWCPMLLCFUBDSB-RXMQYKEDSA-N -2 0 354.664 0.720 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1nc(Cl)nc2ccsc21)[C@@H](O)C(=O)[O-] ZINC001233877963 857392200 /nfs/dbraw/zinc/39/22/00/857392200.db2.gz INUYFRYXEUEBEZ-MHTLYPKNSA-N -2 0 360.731 0.787 20 0 FCADRL CSc1ncc2c(ccnc2OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001233956362 857393071 /nfs/dbraw/zinc/39/30/71/857393071.db2.gz GOVUKGURHADBPM-WKEGUHRASA-N -2 0 367.339 0.189 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cnc(F)cc1Br)[C@H](O)C(=O)[O-] ZINC001234212154 857398675 /nfs/dbraw/zinc/39/86/75/857398675.db2.gz KTHBPCPJBXJAPW-IGJIYHIXSA-N -2 0 366.095 0.425 20 0 FCADRL CC[C@@]1(C)c2cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])ccc2N(C)C1=O ZINC001234704283 857412319 /nfs/dbraw/zinc/41/23/19/857412319.db2.gz DZRZWQQOFVNTKS-DOMZBBRYSA-N -2 0 373.298 0.706 20 0 FCADRL CC(C)C(=O)N(C)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1 ZINC001234838176 857413922 /nfs/dbraw/zinc/41/39/22/857413922.db2.gz SNJUQNCJPSPSCE-GFCCVEGCSA-N -2 0 361.287 0.681 20 0 FCADRL CCCS(=O)(=O)Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001253698720 857905805 /nfs/dbraw/zinc/90/58/05/857905805.db2.gz SCLJWYHQCCVGAZ-UHFFFAOYSA-N -2 0 359.403 0.332 20 0 FCADRL CCCCS(=O)(=O)Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001253856237 857920703 /nfs/dbraw/zinc/92/07/03/857920703.db2.gz XCHLDRNORCICOT-UHFFFAOYSA-N -2 0 373.430 0.722 20 0 FCADRL O=P([O-])([O-])OCCNS(=O)(=O)c1ccccc1OC(F)(F)F ZINC001258005759 858173977 /nfs/dbraw/zinc/17/39/77/858173977.db2.gz JOMMVIGZEXQGJZ-UHFFFAOYSA-N -2 0 365.222 0.973 20 0 FCADRL COC(=O)c1nccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260209241 858354312 /nfs/dbraw/zinc/35/43/12/858354312.db2.gz QSLBTYPLJVUPAN-UHFFFAOYSA-N -2 0 355.303 0.901 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc(OC3COC3)nc2)cc1 ZINC001260221096 858356306 /nfs/dbraw/zinc/35/63/06/858356306.db2.gz AIILRPXLUFOUOQ-UHFFFAOYSA-N -2 0 351.340 0.753 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(N3CCOCC3)ncn2)cc1 ZINC001260221840 858356350 /nfs/dbraw/zinc/35/63/50/858356350.db2.gz WDNAQSPYRFJTQA-UHFFFAOYSA-N -2 0 364.383 0.812 20 0 FCADRL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c(O)c1 ZINC001260400673 858369264 /nfs/dbraw/zinc/36/92/64/858369264.db2.gz YTRYMZJEGJNVJA-UHFFFAOYSA-N -2 0 352.324 0.696 20 0 FCADRL CC1(C)Cc2cccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c2O1 ZINC001261888399 858699888 /nfs/dbraw/zinc/69/98/88/858699888.db2.gz NVBYUHARJVGTBG-SNVBAGLBSA-N -2 0 357.384 0.996 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001296690532 865983878 /nfs/dbraw/zinc/98/38/78/865983878.db2.gz QULAVCKPAQQTJE-SFYZADRCSA-N -2 0 366.369 0.519 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)c1 ZINC001303596892 866442677 /nfs/dbraw/zinc/44/26/77/866442677.db2.gz RSHMXLBOTMPZMX-YDBLSZJJSA-N -2 0 363.443 0.797 20 0 FCADRL COc1ccc(CCNC(C)=O)cc1S(=O)(=O)[N-]C(=O)CCC(=O)[O-] ZINC001331882583 873288878 /nfs/dbraw/zinc/28/88/78/873288878.db2.gz AQYYEYLKMFGSNG-UHFFFAOYSA-N -2 0 372.399 0.044 20 0 FCADRL CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000323135353 970968896 /nfs/dbraw/zinc/96/88/96/970968896.db2.gz VCSSAWZAPBZDQS-SSDOTTSWSA-N -2 0 350.343 0.808 20 0 FCADRL CCNC(=O)NCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000324070792 971081485 /nfs/dbraw/zinc/08/14/85/971081485.db2.gz YJGFCGZTTIYPLX-UHFFFAOYSA-N -2 0 351.331 0.260 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cn1 ZINC000324436855 971120494 /nfs/dbraw/zinc/12/04/94/971120494.db2.gz DHJIHOAJNSJPLC-UHFFFAOYSA-N -2 0 356.360 0.338 20 0 FCADRL COc1cc([N-]S(=O)(=O)c2ccc(OC)cc2CC(=O)[O-])nn1C ZINC000326292242 971280185 /nfs/dbraw/zinc/28/01/85/971280185.db2.gz CALUYQVFQUGEOE-UHFFFAOYSA-N -2 0 355.372 0.865 20 0 FCADRL CN1C(=O)c2ccc([N-]S(=O)(=O)c3scnc3C(=O)[O-])cc2C1=O ZINC000326424513 971291613 /nfs/dbraw/zinc/29/16/13/971291613.db2.gz NKYOYYJMSMSKSY-UHFFFAOYSA-N -2 0 367.364 0.868 20 0 FCADRL Cc1ccc(-n2cnnn2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000326887496 971340957 /nfs/dbraw/zinc/34/09/57/971340957.db2.gz HXPNLWLNPRGKFC-UHFFFAOYSA-N -2 0 362.371 0.808 20 0 FCADRL C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001575870020 949482467 /nfs/dbraw/zinc/48/24/67/949482467.db2.gz TWHIYGUIOISGRR-OPRDCNLKSA-N -2 0 371.405 0.055 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cnc(C(=O)[O-])cn2)cc1 ZINC001592733572 951363585 /nfs/dbraw/zinc/36/35/85/951363585.db2.gz UNMQPVRQVZHYFV-UHFFFAOYSA-N -2 0 351.340 0.692 20 0 FCADRL O=C([O-])C1(CNC(=O)c2nc[n-]c(=O)c2Br)CCOCC1 ZINC001594744269 953379517 /nfs/dbraw/zinc/37/95/17/953379517.db2.gz RMEPPIPIZDQDCN-UHFFFAOYSA-N -2 0 360.164 0.556 20 0 FCADRL CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C(=O)[O-] ZINC001593605116 953428509 /nfs/dbraw/zinc/42/85/09/953428509.db2.gz WXZXERXWSFJZJI-GFCCVEGCSA-N -2 0 356.400 0.770 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)Nc2ccc(C(=O)[O-])cn2)c1 ZINC001593708733 954165813 /nfs/dbraw/zinc/16/58/13/954165813.db2.gz XCYBRDSDZLBQRH-UHFFFAOYSA-N -2 0 365.367 0.988 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1csc(=O)[nH]1 ZINC001594888348 954484476 /nfs/dbraw/zinc/48/44/76/954484476.db2.gz CCJOVEFKXHRYGO-IYSWYEEDSA-N -2 0 367.305 0.585 20 0 FCADRL COC(=O)CC[C@H](NS(=O)(=O)c1cccc(Cl)c1[O-])C(=O)[O-] ZINC001593850005 955447854 /nfs/dbraw/zinc/44/78/54/955447854.db2.gz WGSBVXUMLLPINO-QMMMGPOBSA-N -2 0 351.764 0.730 20 0 FCADRL Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)c3c[n-]n4c3nccc4=O)C2)cn1 ZINC001594536754 955580660 /nfs/dbraw/zinc/58/06/60/955580660.db2.gz GYRQZNMLBONUAS-QWRGUYRKSA-N -2 0 370.369 0.087 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001594659849 956523212 /nfs/dbraw/zinc/52/32/12/956523212.db2.gz LVSWXTRZPPSZFS-ZDUSSCGKSA-N -2 0 350.352 0.595 20 0 FCADRL Nc1ccnc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC001594666843 956583930 /nfs/dbraw/zinc/58/39/30/956583930.db2.gz ZWQBQQOXCDMUNT-WCBMZHEXSA-N -2 0 360.292 0.400 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CC(=O)Nc1ccccn1 ZINC001594692512 956758351 /nfs/dbraw/zinc/75/83/51/956758351.db2.gz WJWKKYBWFCKAGL-SKDRFNHKSA-N -2 0 374.319 0.616 20 0 FCADRL COc1cc2c(cc1OC)CN(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])CC2 ZINC001594069464 958169130 /nfs/dbraw/zinc/16/91/30/958169130.db2.gz HCAQYKSMWVJDAT-UHFFFAOYSA-N -2 0 372.399 0.288 20 0 FCADRL CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cccc(Cl)c1[O-] ZINC001588508766 958755042 /nfs/dbraw/zinc/75/50/42/958755042.db2.gz RFMIEPZZSCROAT-MRVPVSSYSA-N -2 0 364.807 0.646 20 0 FCADRL COc1ccccc1CO[N-]C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001594146461 958770609 /nfs/dbraw/zinc/77/06/09/958770609.db2.gz QYDNBFQOTVSBTB-UHFFFAOYSA-N -2 0 357.384 0.523 20 0 FCADRL COc1nnc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])s1 ZINC001594162045 958905441 /nfs/dbraw/zinc/90/54/41/958905441.db2.gz WOEXLSMAJKVNHQ-HTRCEHHLSA-N -2 0 368.337 0.643 20 0 FCADRL C[C@H](CO[N-]C(=O)c1cccn(CC(=O)[O-])c1=O)NC(=O)OC(C)(C)C ZINC001573608717 959469206 /nfs/dbraw/zinc/46/92/06/959469206.db2.gz XXXQDDCMVFTVGP-SNVBAGLBSA-N -2 0 369.374 0.508 20 0 FCADRL CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)[N-]OCC(F)(F)F)C1 ZINC001588700284 960801378 /nfs/dbraw/zinc/80/13/78/960801378.db2.gz SDNJSLXGWMMIPH-GFCCVEGCSA-N -2 0 372.296 0.687 20 0 FCADRL CNc1ccc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])cn1 ZINC001604254500 972793310 /nfs/dbraw/zinc/79/33/10/972793310.db2.gz YCROHGYUJMKRPC-ONGXEEELSA-N -2 0 374.319 0.860 20 0 FCADRL CNc1ccc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cn1 ZINC001604254499 972793375 /nfs/dbraw/zinc/79/33/75/972793375.db2.gz YCROHGYUJMKRPC-MWLCHTKSSA-N -2 0 374.319 0.860 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3C[C@@H](C(=O)[O-])CC[C@@H]3C)cc2=O)n1 ZINC001605158556 972853585 /nfs/dbraw/zinc/85/35/85/972853585.db2.gz XICHNFCMEPPWFE-RYUDHWBXSA-N -2 0 359.386 0.898 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccns1 ZINC001605970224 972975782 /nfs/dbraw/zinc/97/57/82/972975782.db2.gz NRAADFVERGQQEW-HTRCEHHLSA-N -2 0 351.306 0.879 20 0 FCADRL C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC001603387924 972986382 /nfs/dbraw/zinc/98/63/82/972986382.db2.gz CZUDYCDACMKGDJ-WDEREUQCSA-N -2 0 370.427 0.968 20 0 FCADRL CC(C)n1cnnc1SCC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001592149868 977019490 /nfs/dbraw/zinc/01/94/90/977019490.db2.gz PFBZAKWBKCAFQD-UHFFFAOYSA-N -2 0 364.449 0.508 20 0 FCADRL C[C@H](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001592370586 977884721 /nfs/dbraw/zinc/88/47/21/977884721.db2.gz GYQCPUFNCGJUMK-DGCLKSJQSA-N -2 0 362.448 0.851 20 0 FCADRL C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC001592406261 977982938 /nfs/dbraw/zinc/98/29/38/977982938.db2.gz QJWKJYYNEGGRGJ-ZETCQYMHSA-N -2 0 367.326 0.509 20 0 FCADRL C[C@H](C[C@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1)C(=O)[O-] ZINC001592464334 978196816 /nfs/dbraw/zinc/19/68/16/978196816.db2.gz PAVPTAORXVYMQH-GHMZBOCLSA-N -2 0 359.404 0.479 20 0 FCADRL C[C@@H](CN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC001592563671 978453517 /nfs/dbraw/zinc/45/35/17/978453517.db2.gz BTFSFOJMKATZMV-YIZRAAEISA-N -2 0 368.308 0.277 20 0 FCADRL C[C@H](CNC(=O)C(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1)C(=O)[O-] ZINC001592630738 978611704 /nfs/dbraw/zinc/61/17/04/978611704.db2.gz UVHVXIJWVDRXCN-BDAKNGLRSA-N -2 0 369.399 0.384 20 0 FCADRL C[C@@H](CNC(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)C(=O)[O-] ZINC001592676574 979095663 /nfs/dbraw/zinc/09/56/63/979095663.db2.gz ROYXIWXUJCCEGL-JTQLQIEISA-N -2 0 372.399 0.206 20 0 FCADRL C[C@](CO)(CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)CC(=O)[O-] ZINC001592728208 979235258 /nfs/dbraw/zinc/23/52/58/979235258.db2.gz CVEIFNUMZVTOIE-CYBMUJFWSA-N -2 0 365.791 0.790 20 0 FCADRL C[C@@H](CS(=O)(=O)[N-][C@H](C(=O)OCc1ccccc1)[C@H](C)O)C(=O)[O-] ZINC001592817109 979519426 /nfs/dbraw/zinc/51/94/26/979519426.db2.gz WJIPMKJTDDXPBY-GVXVVHGQSA-N -2 0 359.400 0.119 20 0 FCADRL CC[C@@](COC)([N-]S(=O)(=O)Cc1ccccc1C(=O)[O-])C(=O)OC ZINC001595199366 979938856 /nfs/dbraw/zinc/93/88/56/979938856.db2.gz CFAXELVGJHQTOQ-HNNXBMFYSA-N -2 0 359.400 0.772 20 0 FCADRL CCC[C@H](O)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C)C(=O)[O-] ZINC001595607041 981597634 /nfs/dbraw/zinc/59/76/34/981597634.db2.gz CRTVIOKNLDWDEU-JQWIXIFHSA-N -2 0 363.363 0.725 20 0 FCADRL CCCn1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)nn1 ZINC001596111930 983440574 /nfs/dbraw/zinc/44/05/74/983440574.db2.gz JBMVKXCEALFSCV-UHFFFAOYSA-N -2 0 352.372 0.646 20 0 FCADRL CCN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])c1ncc(C(=O)[O-])s1 ZINC001596165640 983530585 /nfs/dbraw/zinc/53/05/85/983530585.db2.gz YHIVXBDLQLTRAO-UHFFFAOYSA-N -2 0 371.396 0.861 20 0 FCADRL CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001596663297 984720288 /nfs/dbraw/zinc/72/02/88/984720288.db2.gz QSAGPOHLRVCGDK-UHFFFAOYSA-N -2 0 364.401 0.778 20 0 FCADRL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c1 ZINC001596723952 984973674 /nfs/dbraw/zinc/97/36/74/984973674.db2.gz UEDSOMGPENEDDD-UHFFFAOYSA-N -2 0 372.334 0.479 20 0 FCADRL CCOC(=O)c1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1C ZINC001596740087 985042595 /nfs/dbraw/zinc/04/25/95/985042595.db2.gz REKFHDJGVNVTMT-UHFFFAOYSA-N -2 0 356.360 0.434 20 0 FCADRL CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC001589066236 985200892 /nfs/dbraw/zinc/20/08/92/985200892.db2.gz JMWYNEQVQABUCG-UHFFFAOYSA-N -2 0 368.411 0.384 20 0 FCADRL CC(=O)N1CCc2cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])ccc21 ZINC001589091481 985279863 /nfs/dbraw/zinc/27/98/63/985279863.db2.gz VIJOSAYCNKWCDA-NXEZZACHSA-N -2 0 368.411 0.764 20 0 FCADRL CC(=O)N[C@@H](CSCC1=Nc2ccccc2S(=O)(=O)[N-]1)C(=O)[O-] ZINC001589157946 985494485 /nfs/dbraw/zinc/49/44/85/985494485.db2.gz YFTCDFZAVDBLKH-JTQLQIEISA-N -2 0 357.413 0.331 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CCCc1nc(C2CC2)no1 ZINC001589450976 986843595 /nfs/dbraw/zinc/84/35/95/986843595.db2.gz GRTRLDSOCGFCMQ-DTWKUNHWSA-N -2 0 359.404 0.825 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CCN(C)C(=O)OC(C)(C)C ZINC001589453191 986859177 /nfs/dbraw/zinc/85/91/77/986859177.db2.gz OSSJFAFPCUKECF-VHSXEESVSA-N -2 0 366.436 0.799 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC001589454132 986873883 /nfs/dbraw/zinc/87/38/83/986873883.db2.gz LWFBOTPLKNLCRL-RKDXNWHRSA-N -2 0 363.413 0.259 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001589454689 986883121 /nfs/dbraw/zinc/88/31/21/986883121.db2.gz PTSARYISGCJTFQ-BDAKNGLRSA-N -2 0 354.384 0.740 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc(Br)n(C)n1 ZINC001589454733 986884101 /nfs/dbraw/zinc/88/41/01/986884101.db2.gz XQHVJLALFPWSNI-PHDIDXHHSA-N -2 0 368.209 0.351 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cc1nn(C)c2ccccc12 ZINC001589455082 986890491 /nfs/dbraw/zinc/89/04/91/986890491.db2.gz ZKWOJOHVSQDGFT-UWVGGRQHSA-N -2 0 353.400 0.671 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1csc(S(C)(=O)=O)c1 ZINC001589455338 986895709 /nfs/dbraw/zinc/89/57/09/986895709.db2.gz YIIZYHZNIOIWEL-NKWVEPMBSA-N -2 0 369.442 0.320 20 0 FCADRL CCOc1ccccc1NC(=C(F)C(=O)[O-])c1c([O-])[nH]c(=S)[nH]c1=O ZINC001597179323 987033930 /nfs/dbraw/zinc/03/39/30/987033930.db2.gz JRISETZMACPUEY-SNVBAGLBSA-N -2 0 367.358 0.705 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1nc(C(F)(F)F)n2c1CCCC2 ZINC001589491258 987058288 /nfs/dbraw/zinc/05/82/88/987058288.db2.gz JGZPMMGCJQGXNI-ZCFIWIBFSA-N -2 0 369.321 0.771 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1c(C(F)(F)F)nc2n1CCCC2 ZINC001589491548 987059046 /nfs/dbraw/zinc/05/90/46/987059046.db2.gz LSLSPHIWFKNXEL-ZCFIWIBFSA-N -2 0 369.321 0.771 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC001589491869 987060802 /nfs/dbraw/zinc/06/08/02/987060802.db2.gz OYIUSSZVNOIEDH-SECBINFHSA-N -2 0 354.384 0.497 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC001589494342 987070635 /nfs/dbraw/zinc/07/06/35/987070635.db2.gz IRQMAFVTZMNBDF-MRVPVSSYSA-N -2 0 350.393 0.163 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001589494361 987070941 /nfs/dbraw/zinc/07/09/41/987070941.db2.gz IZHAAZSQLCLDRG-DTWKUNHWSA-N -2 0 374.802 0.612 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001589496503 987078761 /nfs/dbraw/zinc/07/87/61/987078761.db2.gz XHSQLBLPWUDYPG-UWVGGRQHSA-N -2 0 372.374 0.488 20 0 FCADRL CCC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC001594701820 987144549 /nfs/dbraw/zinc/14/45/49/987144549.db2.gz UDUATFOJYGVLAG-GFCCVEGCSA-N -2 0 368.411 0.838 20 0 FCADRL CC(C)(C(=O)[O-])C1(O)CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC001589602514 987435233 /nfs/dbraw/zinc/43/52/33/987435233.db2.gz DQWWNUUTKKVEBL-UHFFFAOYSA-N -2 0 372.399 0.406 20 0 FCADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N[C@H](CC(=O)[O-])C2CC2)n1 ZINC001589670997 987666065 /nfs/dbraw/zinc/66/60/65/987666065.db2.gz LUWOJKJELZNWGL-SECBINFHSA-N -2 0 352.347 0.011 20 0 FCADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])n1 ZINC001589671255 987669043 /nfs/dbraw/zinc/66/90/43/987669043.db2.gz VQLZSEGITRSKMJ-SECBINFHSA-N -2 0 352.347 0.107 20 0 FCADRL CC(C)(C)C[C@H](O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)[O-] ZINC001589757371 988074388 /nfs/dbraw/zinc/07/43/88/988074388.db2.gz VUTSBLXUKZARRM-WCBMZHEXSA-N -2 0 365.429 0.975 20 0 FCADRL CCc1nc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])nn1-c1ccccc1 ZINC001597650503 988678722 /nfs/dbraw/zinc/67/87/22/988678722.db2.gz GLHPUUWGUNJROE-SECBINFHSA-N -2 0 352.372 0.362 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2c(C(=O)OC)c[nH]c2C(=O)[O-])nc1C ZINC001597898013 989764831 /nfs/dbraw/zinc/76/48/31/989764831.db2.gz AVCZTMTUVYBHQQ-UHFFFAOYSA-N -2 0 356.360 0.825 20 0 FCADRL CCn1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)n1 ZINC001597904307 989786044 /nfs/dbraw/zinc/78/60/44/989786044.db2.gz CTZWMISZWNWEMA-UHFFFAOYSA-N -2 0 373.337 0.927 20 0 FCADRL CCn1cnc(S(=O)(=O)[N-]c2cccc(-n3cc(C(=O)[O-])nn3)c2)c1 ZINC001597920740 989848299 /nfs/dbraw/zinc/84/82/99/989848299.db2.gz KRIVTBOFQZTKNI-UHFFFAOYSA-N -2 0 362.371 0.983 20 0 FCADRL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])o2)c1 ZINC001598162416 990660599 /nfs/dbraw/zinc/66/05/99/990660599.db2.gz FHJAREPPVOMMCB-UHFFFAOYSA-N -2 0 366.351 0.798 20 0 FCADRL CC(C)[C@@H](CNC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1)C(=O)[O-] ZINC001590983279 991159491 /nfs/dbraw/zinc/15/94/91/991159491.db2.gz HHNDRWFMFSEDNN-WDEREUQCSA-N -2 0 353.379 0.680 20 0 FCADRL COc1ccccc1[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)C(=O)[O-] ZINC001599699795 991200621 /nfs/dbraw/zinc/20/06/21/991200621.db2.gz HRSVERPFBCKKPF-GFCCVEGCSA-N -2 0 357.384 0.995 20 0 FCADRL COc1ccccc1[C@@H](NS(=O)(=O)c1csnc1C(=O)[O-])C(=O)[O-] ZINC001599700664 991213484 /nfs/dbraw/zinc/21/34/84/991213484.db2.gz YGCGGVHJTBZCAM-SNVBAGLBSA-N -2 0 372.380 0.954 20 0 FCADRL COc1ccccc1N(CC(=O)[O-])S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001599713329 991409319 /nfs/dbraw/zinc/40/93/19/991409319.db2.gz WHRHBCJLCLHODD-UHFFFAOYSA-N -2 0 369.355 0.256 20 0 FCADRL CN(CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)[C@@H]1CCSC1 ZINC001598396535 991658102 /nfs/dbraw/zinc/65/81/02/991658102.db2.gz KTJJQJAGLDSAKX-CYBMUJFWSA-N -2 0 372.468 0.768 20 0 FCADRL CC(C)C[C@@H](NC(=O)Cn1[n-]c(=O)c(Cl)c(Cl)c1=O)C(=O)[O-] ZINC001591178149 991974293 /nfs/dbraw/zinc/97/42/93/991974293.db2.gz NPVQGUBUBCBSCC-ZCFIWIBFSA-N -2 0 352.174 0.871 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)N2CCSC[C@@H](C(=O)[O-])C2)cn1 ZINC001599760350 992112767 /nfs/dbraw/zinc/11/27/67/992112767.db2.gz MJPWOKXOTDJMAV-JTQLQIEISA-N -2 0 359.429 0.343 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccnc(C(=O)[O-])c2)cn1 ZINC001599760354 992112837 /nfs/dbraw/zinc/11/28/37/992112837.db2.gz MOJXEIIXBGPHNA-UHFFFAOYSA-N -2 0 350.356 0.476 20 0 FCADRL CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001599762655 992143690 /nfs/dbraw/zinc/14/36/90/992143690.db2.gz WAGMRZCXVLARIM-ZYHUDNBSSA-N -2 0 356.400 0.525 20 0 FCADRL CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001598509467 992551137 /nfs/dbraw/zinc/55/11/37/992551137.db2.gz BNVBQUDFKHKSSO-UHFFFAOYSA-N -2 0 350.371 0.960 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)[O-])cc1=O ZINC001591505631 992650323 /nfs/dbraw/zinc/65/03/23/992650323.db2.gz JGPUADOUXKTALQ-OCCSQVGLSA-N -2 0 353.419 0.761 20 0 FCADRL C[C@@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])[C@H](C)NC(=O)OC(C)(C)C ZINC001593131512 993881999 /nfs/dbraw/zinc/88/19/99/993881999.db2.gz PSDJONKPTBXVNE-BDAKNGLRSA-N -2 0 352.409 0.456 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C2CCC2)c(CC(=O)[O-])c1 ZINC001599611141 993955820 /nfs/dbraw/zinc/95/58/20/993955820.db2.gz CSRYXSPIXNOMQD-AWEZNQCLSA-N -2 0 357.384 0.854 20 0 FCADRL COc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)c(CC(=O)[O-])c1 ZINC001599613024 993979322 /nfs/dbraw/zinc/97/93/22/993979322.db2.gz PLPHXANVLYQTSS-UHFFFAOYSA-N -2 0 373.383 0.234 20 0 FCADRL COc1ccc(S(=O)(=O)NCC2(C(=O)[O-])CCC2)c(CC(=O)[O-])c1 ZINC001599615237 994005850 /nfs/dbraw/zinc/00/58/50/994005850.db2.gz ULJLVJMWXGERKG-UHFFFAOYSA-N -2 0 357.384 0.856 20 0 FCADRL C[C@H](NC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cn[nH]c1)C(=O)[O-] ZINC001593166456 994007169 /nfs/dbraw/zinc/00/71/69/994007169.db2.gz BLRAWDSPVJQDAD-ZETCQYMHSA-N -2 0 356.335 0.553 20 0 FCADRL C[C@H](NC(=O)c1ccc(F)cc1[N-]S(=O)(=O)C[C@H]1CCCO1)C(=O)[O-] ZINC001593168603 994015052 /nfs/dbraw/zinc/01/50/52/994015052.db2.gz PKQBNUXTTUOUCD-GXSJLCMTSA-N -2 0 374.390 0.949 20 0 FCADRL COc1ccc2c(c1)C[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])CO2 ZINC001599626586 994157672 /nfs/dbraw/zinc/15/76/72/994157672.db2.gz YAQAVNMLORLLNK-NSHDSACASA-N -2 0 371.411 0.803 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)CC2(C(=O)[O-])CCCCC2)cc1C ZINC001598651664 994453015 /nfs/dbraw/zinc/45/30/15/994453015.db2.gz RWNCQQOIJLLBCT-UHFFFAOYSA-N -2 0 372.447 0.714 20 0 FCADRL COc1cccc(C[C@@H](CNS(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)[O-])c1 ZINC001599667174 994748916 /nfs/dbraw/zinc/74/89/16/994748916.db2.gz XQNFFQKOVFNYAB-LBPRGKRZSA-N -2 0 373.427 0.969 20 0 FCADRL CNS(=O)(=O)c1cc(NC(=O)c2ccnc(C(=O)[O-])c2)ccc1[O-] ZINC001598674367 994815882 /nfs/dbraw/zinc/81/58/82/994815882.db2.gz FIHQJBPHOZAXTO-UHFFFAOYSA-N -2 0 351.340 0.646 20 0 FCADRL COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001598687974 995022440 /nfs/dbraw/zinc/02/24/40/995022440.db2.gz CETYBBRGRUJKRG-FQDVODHFSA-N -2 0 359.356 0.635 20 0 FCADRL COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC001598693153 995095497 /nfs/dbraw/zinc/09/54/97/995095497.db2.gz BVJISKMHIXFTFJ-SECBINFHSA-N -2 0 363.319 0.127 20 0 FCADRL COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001598694185 995110506 /nfs/dbraw/zinc/11/05/06/995110506.db2.gz XXKURRJLJLRYCX-SECBINFHSA-N -2 0 368.367 0.347 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccn(C)n1 ZINC001598713421 995375211 /nfs/dbraw/zinc/37/52/11/995375211.db2.gz MZKAFFLXDTYARP-GFCCVEGCSA-N -2 0 371.346 0.450 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccn(C)n1 ZINC001598713808 995380217 /nfs/dbraw/zinc/38/02/17/995380217.db2.gz OMJYOGAYZGJEAB-ZDUSSCGKSA-N -2 0 367.383 0.619 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C)c1ccn(C)n1 ZINC001598714867 995392772 /nfs/dbraw/zinc/39/27/72/995392772.db2.gz UHVCUWXCBTZBEK-CYBMUJFWSA-N -2 0 367.383 0.619 20 0 FCADRL COC(=O)[C@H]1CN(C(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)C[C@H]1C(=O)[O-] ZINC001598813987 996254143 /nfs/dbraw/zinc/25/41/43/996254143.db2.gz AZKNEGRDGVQSIQ-OLZOCXBDSA-N -2 0 373.365 0.420 20 0 FCADRL C[C@]1(Br)C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001593739770 996354105 /nfs/dbraw/zinc/35/41/05/996354105.db2.gz KTQWJFZQIQNXQG-WKEGUHRASA-N -2 0 352.162 0.956 20 0 FCADRL C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)C1 ZINC001593783672 996497179 /nfs/dbraw/zinc/49/71/79/996497179.db2.gz PUCZYPCMQIOLGB-RTBURBONSA-N -2 0 374.393 0.565 20 0 FCADRL C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)C1 ZINC001593784261 996501784 /nfs/dbraw/zinc/50/17/84/996501784.db2.gz IRWKFOKWVNFHOX-MRXNPFEDSA-N -2 0 350.327 0.412 20 0 FCADRL COC(=O)C[C@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CCCCC1)C(=O)OC ZINC001598839770 996515434 /nfs/dbraw/zinc/51/54/34/996515434.db2.gz JGPXDIFSHPMNHM-JTQLQIEISA-N -2 0 365.404 0.046 20 0 FCADRL COC(=O)CCCO[N-]C(=O)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001598852171 996613253 /nfs/dbraw/zinc/61/32/53/996613253.db2.gz HDVMAPOPEBLPCU-UHFFFAOYSA-N -2 0 360.269 0.603 20 0 FCADRL COC(=O)CC[C@@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)[O-] ZINC001598857477 996649872 /nfs/dbraw/zinc/64/98/72/996649872.db2.gz ULUTXRJAADSNBE-SNVBAGLBSA-N -2 0 365.317 0.853 20 0 FCADRL COC(=O)CC[C@H](NS(=O)(=O)c1ccsc1C(=O)[O-])C(=O)[O-] ZINC001598858703 996658141 /nfs/dbraw/zinc/65/81/41/996658141.db2.gz QPEUPQBFUVLGQA-LURJTMIESA-N -2 0 351.358 0.131 20 0 FCADRL COc1ccc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cc1OC(F)F ZINC001599485128 996834963 /nfs/dbraw/zinc/83/49/63/996834963.db2.gz AXDZYICGLNHLOD-UHFFFAOYSA-N -2 0 353.299 0.831 20 0 FCADRL COC[C@@H](NS(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C)C(=O)[O-] ZINC001599178425 996899158 /nfs/dbraw/zinc/89/91/58/996899158.db2.gz QHKAXAMFTQUABV-RXMQYKEDSA-N -2 0 357.793 0.786 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C(=O)[O-] ZINC001599501558 997132052 /nfs/dbraw/zinc/13/20/52/997132052.db2.gz OCKHDCDQVHBHBZ-IGJMFERPSA-N -2 0 373.383 0.645 20 0 FCADRL COC1(C[C@H](NS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])C(=O)[O-])CCC1 ZINC001599088271 997140815 /nfs/dbraw/zinc/14/08/15/997140815.db2.gz INCBGORRWYRTRH-GRYCIOLGSA-N -2 0 363.432 0.962 20 0 FCADRL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-]c2cnnn2C)c1OC ZINC001599397460 997153115 /nfs/dbraw/zinc/15/31/15/997153115.db2.gz CENIBHMXWQTSNI-PLNGDYQASA-N -2 0 368.371 0.731 20 0 FCADRL COc1cc(CC(=O)[O-])cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)c1OC ZINC001599401656 997224799 /nfs/dbraw/zinc/22/47/99/997224799.db2.gz FSZKWGOYHRACKG-SNVBAGLBSA-N -2 0 373.383 0.426 20 0 FCADRL COc1cc(NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])c(C(=O)[O-])cc1OC ZINC001599429653 997736943 /nfs/dbraw/zinc/73/69/43/997736943.db2.gz YROBVVOXCBGCQV-QMMMGPOBSA-N -2 0 368.342 0.520 20 0 FCADRL COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001599542254 997863231 /nfs/dbraw/zinc/86/32/31/997863231.db2.gz ICWKCYUDWLNOLQ-HYXAFXHYSA-N -2 0 370.321 0.783 20 0 FCADRL COCCN(CC(=O)[O-])S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001599235051 997930439 /nfs/dbraw/zinc/93/04/39/997930439.db2.gz HCUDWMKDWYOPOD-UHFFFAOYSA-N -2 0 369.754 0.899 20 0 FCADRL COc1ccc(CC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])cc1OC ZINC001599548512 997964939 /nfs/dbraw/zinc/96/49/39/997964939.db2.gz GGGLZCDYRYCTBS-VHSXEESVSA-N -2 0 359.400 0.802 20 0 FCADRL CO[C@H]1CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)[C@](C)(C(=O)[O-])C1 ZINC001599132764 997981043 /nfs/dbraw/zinc/98/10/43/997981043.db2.gz ZUNOHRKRTSSFOD-BCTVWOGZSA-N -2 0 362.342 0.449 20 0 FCADRL CO[C@@H]1CN(S(=O)(=O)Cc2ccccc2C(=O)[O-])[C@](C)(C(=O)[O-])C1 ZINC001599136819 998058446 /nfs/dbraw/zinc/05/84/46/998058446.db2.gz UFCKAYFHJLVYTR-NHYWBVRUSA-N -2 0 357.384 0.779 20 0 FCADRL COc1cc(C(=O)[O-])cc(NS(=O)(=O)N(C)CCC(=O)[O-])c1OC ZINC001599362211 998279103 /nfs/dbraw/zinc/27/91/03/998279103.db2.gz HAIOGFSAFCBGKC-UHFFFAOYSA-N -2 0 362.360 0.465 20 0 FCADRL COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1nnc(CC(=O)[O-])[nH]1 ZINC001599259186 998357564 /nfs/dbraw/zinc/35/75/64/998357564.db2.gz CLRYWSMIAQJSNC-UHFFFAOYSA-N -2 0 374.350 0.397 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)c1 ZINC001598963275 998370942 /nfs/dbraw/zinc/37/09/42/998370942.db2.gz JBMIKRJZSRMSRF-NSHDSACASA-N -2 0 371.367 0.703 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@H](CC2CC2)C(=O)[O-])c1 ZINC001598963610 998376909 /nfs/dbraw/zinc/37/69/09/998376909.db2.gz LWYWXZIYFUCMRQ-LLVKDONJSA-N -2 0 371.367 0.703 20 0 FCADRL COCCOc1ccnc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)n1 ZINC001599261392 998391390 /nfs/dbraw/zinc/39/13/90/998391390.db2.gz LNWLZCMXYRKDCA-UHFFFAOYSA-N -2 0 357.344 0.902 20 0 FCADRL COCCOc1ncccc1C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001599261981 998401321 /nfs/dbraw/zinc/40/13/21/998401321.db2.gz OSLYLSNDHJDJMW-ZJUUUORDSA-N -2 0 360.388 0.276 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC001598969696 998491482 /nfs/dbraw/zinc/49/14/82/998491482.db2.gz AWPHSWCLVBMGHC-LLVKDONJSA-N -2 0 371.367 0.703 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1 ZINC001598969747 998492063 /nfs/dbraw/zinc/49/20/63/998492063.db2.gz YMQMCGOGAHHREY-SECBINFHSA-N -2 0 371.367 0.657 20 0 FCADRL COc1ccc(-n2cc([O-])c(C(=O)N3CCC[C@@H](O)[C@H]3C(=O)[O-])n2)cc1 ZINC001599474162 998499528 /nfs/dbraw/zinc/49/95/28/998499528.db2.gz YPTVKDMSPGPGPN-DOMZBBRYSA-N -2 0 361.354 0.637 20 0 FCADRL COC(=O)c1ccc(NC(=O)C(=O)[N-]OC2CCOCC2)cc1C(=O)[O-] ZINC001598978285 998626762 /nfs/dbraw/zinc/62/67/62/998626762.db2.gz LOVSRUQJSJXLDP-UHFFFAOYSA-N -2 0 366.326 0.337 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC2)cc1Cl ZINC001598988619 998716656 /nfs/dbraw/zinc/71/66/56/998716656.db2.gz PZGMGGUHSOVSEI-UHFFFAOYSA-N -2 0 361.759 0.796 20 0 FCADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)C1 ZINC001594209554 998811296 /nfs/dbraw/zinc/81/12/96/998811296.db2.gz DHKGJPDGGJIEMQ-AAEUAGOBSA-N -2 0 354.403 0.659 20 0 FCADRL COC(=O)c1cnc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cn1 ZINC001599009044 998881197 /nfs/dbraw/zinc/88/11/97/998881197.db2.gz DHIXLEGSLAROHV-UHFFFAOYSA-N -2 0 355.303 0.901 20 0 FCADRL COC(=O)c1cnccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001599011096 998899359 /nfs/dbraw/zinc/89/93/59/998899359.db2.gz HLEIORPTOLOVQP-UHFFFAOYSA-N -2 0 366.351 0.798 20 0 FCADRL COC(=O)c1sc(S(=O)(=O)NC[C@@H](C)C(=O)[O-])c(C(=O)[O-])c1C ZINC001599022474 998991692 /nfs/dbraw/zinc/99/16/92/998991692.db2.gz LOTHWUOIPWWXSH-RXMQYKEDSA-N -2 0 365.385 0.540 20 0 FCADRL CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC001599036452 999087064 /nfs/dbraw/zinc/08/70/64/999087064.db2.gz QHJSTUNOFCBKSJ-LURJTMIESA-N -2 0 366.189 0.987 20 0 FCADRL CC1CCC2(CC1)OC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)O2 ZINC001594334833 999285644 /nfs/dbraw/zinc/28/56/44/999285644.db2.gz XCUUCUBQVDCAID-OPASDULOSA-N -2 0 360.388 0.973 20 0 FCADRL C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C(=O)[O-])s2)CC[C@H]1C(=O)[O-] ZINC001594457733 999662781 /nfs/dbraw/zinc/66/27/81/999662781.db2.gz JHSPVQVARJBHNE-PSASIEDQSA-N -2 0 354.384 0.632 20 0 FCADRL CO[C@H](CS(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1)c1ccccc1 ZINC000297106715 214380025 /nfs/dbraw/zinc/38/00/25/214380025.db2.gz ZQOOASOOFDBNLS-CJNGLKHVSA-N -2 0 371.411 0.955 20 0 FCADRL O=C([N-]Cc1cccnn1)C(F)(F)C(F)(F)C(=O)[N-]Cc1cccnn1 ZINC000277724169 212392084 /nfs/dbraw/zinc/39/20/84/212392084.db2.gz OODLOCNMMNNFLF-UHFFFAOYSA-N -2 0 372.282 0.470 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)C[C@@H]1C(=O)[O-] ZINC000275069296 211957534 /nfs/dbraw/zinc/95/75/34/211957534.db2.gz GTLYJPIZLGSTNR-SFYZADRCSA-N -2 0 367.301 0.900 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)cc(F)c1F ZINC000374445016 217129879 /nfs/dbraw/zinc/12/98/79/217129879.db2.gz XGLSMRUTHDZTQM-ZDUSSCGKSA-N -2 0 365.310 0.273 20 0 FCADRL COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000274926137 211930573 /nfs/dbraw/zinc/93/05/73/211930573.db2.gz NYDMMYSQOSFDDR-VIFPVBQESA-N -2 0 365.747 0.333 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)nn1C ZINC000439041875 248107376 /nfs/dbraw/zinc/10/73/76/248107376.db2.gz JAXZZPIFHVTLLF-UHFFFAOYSA-N -2 0 353.356 0.999 20 0 FCADRL CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000271061190 211325134 /nfs/dbraw/zinc/32/51/34/211325134.db2.gz KOSPDPSBCAIUSK-ZETCQYMHSA-N -2 0 356.360 0.310 20 0 FCADRL CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)[N-]c1ccn(C)n1 ZINC000270531811 211218152 /nfs/dbraw/zinc/21/81/52/211218152.db2.gz VEFIJAWTAJZWBV-UHFFFAOYSA-N -2 0 374.444 0.991 20 0 FCADRL Cc1ccc(Br)cc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-] ZINC000105784687 208204915 /nfs/dbraw/zinc/20/49/15/208204915.db2.gz RIABTSPOVHREBC-MRVPVSSYSA-N -2 0 366.189 0.964 20 0 FCADRL O=C([O-])CCC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000278638085 488886408 /nfs/dbraw/zinc/88/64/08/488886408.db2.gz IPMJGZUQLQLZBP-SNVBAGLBSA-N -2 0 359.356 0.444 20 0 FCADRL CNC(=O)c1ccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc1 ZINC000278710567 488891308 /nfs/dbraw/zinc/89/13/08/488891308.db2.gz ODHCMYBLFLEFPV-LLVKDONJSA-N -2 0 358.372 0.033 20 0 FCADRL CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cn1 ZINC000319958020 488899254 /nfs/dbraw/zinc/89/92/54/488899254.db2.gz CWFNOFGHFAEINW-UHFFFAOYSA-N -2 0 356.381 0.984 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000319848853 488899351 /nfs/dbraw/zinc/89/93/51/488899351.db2.gz NCWUYCBPAONHCG-SSDOTTSWSA-N -2 0 366.735 0.845 20 0 FCADRL CC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1 ZINC000325288838 488909228 /nfs/dbraw/zinc/90/92/28/488909228.db2.gz QSVMOUPXXOHOAU-STQMWFEESA-N -2 0 355.368 0.685 20 0 FCADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(N)=O)c1 ZINC000042793315 487878924 /nfs/dbraw/zinc/87/89/24/487878924.db2.gz NEMUOGTVXJMUDQ-UHFFFAOYSA-N -2 0 352.372 0.430 20 0 FCADRL COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)[C@H]1CCCO1 ZINC000055590234 488244823 /nfs/dbraw/zinc/24/48/23/488244823.db2.gz LRGLHYSKJYFOLW-HOSRBBHYSA-N -2 0 370.383 0.282 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC(=O)N(C)C)c2)sc1C(=O)[O-] ZINC000066585113 488332192 /nfs/dbraw/zinc/33/21/92/488332192.db2.gz HLTTXMBEUXIWAT-UHFFFAOYSA-N -2 0 372.428 0.840 20 0 FCADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cnn(CCO)c3)c1)CCC2 ZINC000067659892 488354674 /nfs/dbraw/zinc/35/46/74/488354674.db2.gz AOGVBQHFNLDYSY-UHFFFAOYSA-N -2 0 351.384 0.863 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)cc1C(=O)[O-] ZINC000068076159 488360079 /nfs/dbraw/zinc/36/00/79/488360079.db2.gz XUZGUCYFUSGVSK-UHFFFAOYSA-N -2 0 368.371 0.266 20 0 FCADRL COCCCNC(=O)N[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000068406286 488364868 /nfs/dbraw/zinc/36/48/68/488364868.db2.gz QMJZXWKUANXGHM-UHFFFAOYSA-N -2 0 351.406 0.284 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)cc(C(=O)[O-])c1C ZINC000268359325 488411038 /nfs/dbraw/zinc/41/10/38/488411038.db2.gz ONYZLJCAJDITJP-UHFFFAOYSA-N -2 0 366.399 0.874 20 0 FCADRL O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000231725541 488452784 /nfs/dbraw/zinc/45/27/84/488452784.db2.gz YCYYEKOPBLFOOA-UHFFFAOYSA-N -2 0 359.162 0.612 20 0 FCADRL NC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(=O)[O-] ZINC000231725361 488452901 /nfs/dbraw/zinc/45/29/01/488452901.db2.gz VMSIRRCNRDBHPL-YFKPBYRVSA-N -2 0 359.162 0.739 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc3c2OCCO3)C1 ZINC000274956904 488747752 /nfs/dbraw/zinc/74/77/52/488747752.db2.gz BABYMTJGCOERCV-OAHLLOKOSA-N -2 0 371.367 0.398 20 0 FCADRL Cc1c(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cnn1-c1ccccn1 ZINC000274960475 488748049 /nfs/dbraw/zinc/74/80/49/488748049.db2.gz JDFNSIXVBZSDNJ-SNVBAGLBSA-N -2 0 368.371 0.030 20 0 FCADRL Cn1cnc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)c1Cl ZINC000274979315 488750123 /nfs/dbraw/zinc/75/01/23/488750123.db2.gz DDDNKNCMSZIOJD-LLVKDONJSA-N -2 0 351.768 0.014 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)C[C@H]1C(=O)[O-] ZINC000274986764 488751002 /nfs/dbraw/zinc/75/10/02/488751002.db2.gz DRQGANNATLFVAC-UONOGXRCSA-N -2 0 353.396 0.971 20 0 FCADRL COC(=O)c1cc(F)ccc1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000275015516 488753627 /nfs/dbraw/zinc/75/36/27/488753627.db2.gz CLIHMSDXCZDSNH-VIFPVBQESA-N -2 0 363.319 0.209 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1ccc(OCC(F)F)cc1)C(=O)[O-] ZINC000275024820 488754444 /nfs/dbraw/zinc/75/44/44/488754444.db2.gz DUCICDFXMNMQHS-JTQLQIEISA-N -2 0 367.326 0.927 20 0 FCADRL O=C([O-])[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000275045395 488756327 /nfs/dbraw/zinc/75/63/27/488756327.db2.gz WGTYQYWHXMHJCL-NSHDSACASA-N -2 0 350.343 0.029 20 0 FCADRL O=C([O-])[C@@H]1CC(=O)N(CC[N-]S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000275051158 488756718 /nfs/dbraw/zinc/75/67/18/488756718.db2.gz XEQMUEHVBWTNES-SSDOTTSWSA-N -2 0 366.317 0.315 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1C ZINC000275065527 488758252 /nfs/dbraw/zinc/75/82/52/488758252.db2.gz ZTTGATVVSJPUMJ-VIFPVBQESA-N -2 0 359.356 0.235 20 0 FCADRL CC(=O)c1ccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cc1 ZINC000275098987 488761444 /nfs/dbraw/zinc/76/14/44/488761444.db2.gz LGZFACJVXKSLAJ-OAHLLOKOSA-N -2 0 355.368 0.829 20 0 FCADRL CC(C)Cn1cnc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)c1 ZINC000275124055 488764074 /nfs/dbraw/zinc/76/40/74/488764074.db2.gz OHQOYWRSCITDFW-CQSZACIVSA-N -2 0 359.404 0.479 20 0 FCADRL COc1ccc(C)cc1S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000275163221 488767464 /nfs/dbraw/zinc/76/74/64/488767464.db2.gz UGCLAOWOGKKXOY-HNNXBMFYSA-N -2 0 357.384 0.944 20 0 FCADRL NC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000281878619 489113381 /nfs/dbraw/zinc/11/33/81/489113381.db2.gz NYUSEYBSHOBBBW-VIFPVBQESA-N -2 0 364.763 0.035 20 0 FCADRL C[C@](CNS(=O)(=O)Cc1noc2ccccc21)(CC(=O)[O-])C(=O)[O-] ZINC000555457029 491251295 /nfs/dbraw/zinc/25/12/95/491251295.db2.gz INIMKJGVMMBBPO-CQSZACIVSA-N -2 0 356.356 0.813 20 0 FCADRL Cc1c(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(=O)[O-])cc2)cnn1C ZINC000427137210 489596114 /nfs/dbraw/zinc/59/61/14/489596114.db2.gz RFAQBXKZKTYSFS-UHFFFAOYSA-N -2 0 366.399 0.734 20 0 FCADRL C[C@H](C(=O)[O-])N(C)C(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C)c1 ZINC000427974650 489631363 /nfs/dbraw/zinc/63/13/63/489631363.db2.gz FZLYQXHRTVDCRG-MRVPVSSYSA-N -2 0 372.428 0.828 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000430331173 489731388 /nfs/dbraw/zinc/73/13/88/489731388.db2.gz MYNVPJJUAFIVGK-UHFFFAOYSA-N -2 0 356.795 0.644 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1C(N)=O ZINC000474388662 489759385 /nfs/dbraw/zinc/75/93/85/489759385.db2.gz KHQZUAMSYZMGNA-UHFFFAOYSA-N -2 0 351.340 0.688 20 0 FCADRL C[C@](CNS(=O)(=O)Cc1cccc(F)c1F)(CC(=O)[O-])C(=O)[O-] ZINC000570971919 491277202 /nfs/dbraw/zinc/27/72/02/491277202.db2.gz PMQHDBBYOCJCHC-CYBMUJFWSA-N -2 0 351.327 0.950 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cccc3c2OCC(=O)N3)cc1C(=O)[O-] ZINC000378015321 489996332 /nfs/dbraw/zinc/99/63/32/489996332.db2.gz FRPLXHHDLOLWFH-UHFFFAOYSA-N -2 0 351.340 0.855 20 0 FCADRL CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000479180450 490071714 /nfs/dbraw/zinc/07/17/14/490071714.db2.gz GVYDWJOEIVVWMM-JTQLQIEISA-N -2 0 362.429 0.223 20 0 FCADRL COC(=O)C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000520236320 490120717 /nfs/dbraw/zinc/12/07/17/490120717.db2.gz UBXOPWSIPSXWAM-ZETCQYMHSA-N -2 0 357.718 0.913 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)N2CCc3ccccc3C2)CC[C@@H]1C(=O)[O-] ZINC000392704457 490153978 /nfs/dbraw/zinc/15/39/78/490153978.db2.gz JMLSYXSLBITJQD-KBPBESRZSA-N -2 0 368.411 0.397 20 0 FCADRL CCOC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(CC)c2)[nH]n1 ZINC000545889197 490163358 /nfs/dbraw/zinc/16/33/58/490163358.db2.gz ZPKYJLSDCVCRLQ-UHFFFAOYSA-N -2 0 356.360 0.907 20 0 FCADRL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1C(N)=O ZINC000546179437 490202146 /nfs/dbraw/zinc/20/21/46/490202146.db2.gz MYUPHTBBLZRBQK-UHFFFAOYSA-N -2 0 358.763 0.969 20 0 FCADRL COC(=O)c1nscc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1 ZINC000447333805 490220250 /nfs/dbraw/zinc/22/02/50/490220250.db2.gz YNNWKJAWMROPLG-UHFFFAOYSA-N -2 0 366.384 0.911 20 0 FCADRL CCn1cncc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1-n1cnnc1 ZINC000547590161 490325181 /nfs/dbraw/zinc/32/51/81/490325181.db2.gz JFCPBDYSNVLNMH-UHFFFAOYSA-N -2 0 362.371 0.983 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])oc1C ZINC000547608122 490328728 /nfs/dbraw/zinc/32/87/28/490328728.db2.gz NZUZHRFPYVFVKH-CYBMUJFWSA-N -2 0 363.344 0.219 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c(C)o1 ZINC000547612951 490330024 /nfs/dbraw/zinc/33/00/24/490330024.db2.gz TZQHTMNLMAHZHO-CYBMUJFWSA-N -2 0 363.344 0.219 20 0 FCADRL COc1cc(OC)cc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000547608279 490330382 /nfs/dbraw/zinc/33/03/82/490330382.db2.gz AMOJRRFWECJQBU-AWEZNQCLSA-N -2 0 361.372 0.548 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000547877133 490374161 /nfs/dbraw/zinc/37/41/61/490374161.db2.gz UMWWVEIIWPAVRS-UHFFFAOYSA-N -2 0 353.356 0.091 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cn1 ZINC000484525725 490436904 /nfs/dbraw/zinc/43/69/04/490436904.db2.gz YZTZYACUFHUVCY-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL O=C([O-])c1ccc(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)cc1 ZINC000548211972 490441207 /nfs/dbraw/zinc/44/12/07/490441207.db2.gz PLDPAEASHINOFO-UHFFFAOYSA-N -2 0 362.323 0.935 20 0 FCADRL CC(=O)N(C)c1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000548216994 490442437 /nfs/dbraw/zinc/44/24/37/490442437.db2.gz KGSHBIHFNQIXOF-SNVBAGLBSA-N -2 0 358.372 0.123 20 0 FCADRL Cn1cnc2cc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])ccc21 ZINC000548261328 490453164 /nfs/dbraw/zinc/45/31/64/490453164.db2.gz BDTVZTVGIBSDNF-AWEZNQCLSA-N -2 0 355.372 0.417 20 0 FCADRL CC(C)[C@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000564855615 491331368 /nfs/dbraw/zinc/33/13/68/491331368.db2.gz GTWLVZKPVFSKTI-XVKPBYJWSA-N -2 0 370.387 0.460 20 0 FCADRL Cc1ccc2cccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c2n1 ZINC000548540190 490501454 /nfs/dbraw/zinc/50/14/54/490501454.db2.gz DARWLOLAFLLPII-LLVKDONJSA-N -2 0 352.368 0.997 20 0 FCADRL CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000548540766 490501990 /nfs/dbraw/zinc/50/19/90/490501990.db2.gz DOFPLHDWYHRSKX-ZETCQYMHSA-N -2 0 356.360 0.308 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])ccc1C ZINC000548591416 490513605 /nfs/dbraw/zinc/51/36/05/490513605.db2.gz DVSIQOCRNRKVIH-OAHLLOKOSA-N -2 0 373.383 0.626 20 0 FCADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000536685179 490607268 /nfs/dbraw/zinc/60/72/68/490607268.db2.gz QBPIWEWUCDPHLV-UHFFFAOYSA-N -3 0 355.328 0.631 20 0 FCADRL COCCOc1ccc(F)cc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-] ZINC000527052997 490695515 /nfs/dbraw/zinc/69/55/15/490695515.db2.gz VAJFSSTVNAHXKG-UHFFFAOYSA-N -2 0 365.335 0.011 20 0 FCADRL Cc1nn2cc(S(=O)(=O)[N-]c3cnn(C)c3C(=O)[O-])cnc2c1Cl ZINC000539192558 490767665 /nfs/dbraw/zinc/76/76/65/490767665.db2.gz CMUFCNXPKSLPCX-UHFFFAOYSA-N -2 0 370.778 0.924 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1C ZINC000504274827 490793582 /nfs/dbraw/zinc/79/35/82/490793582.db2.gz OJAFWFQRXMJELU-UHFFFAOYSA-N -2 0 372.428 0.806 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1C ZINC000504285724 490794083 /nfs/dbraw/zinc/79/40/83/490794083.db2.gz DVEDQRFHFHUKIU-UHFFFAOYSA-N -2 0 352.372 0.437 20 0 FCADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000504680307 490809382 /nfs/dbraw/zinc/80/93/82/490809382.db2.gz LADHOFXPBHDEDV-UHFFFAOYSA-N -2 0 366.399 0.734 20 0 FCADRL CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OCC(=O)N(C)C ZINC000530147347 490891119 /nfs/dbraw/zinc/89/11/19/490891119.db2.gz UUTLOMJCLDBEMO-JTQLQIEISA-N -2 0 374.415 0.628 20 0 FCADRL CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)[nH]n1 ZINC000542836707 490911712 /nfs/dbraw/zinc/91/17/12/490911712.db2.gz QHFDQONDAWXBNA-UHFFFAOYSA-N -2 0 369.355 0.851 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1C(N)=O ZINC000518021700 490928609 /nfs/dbraw/zinc/92/86/09/490928609.db2.gz ZTEXFVHUJHORLC-UHFFFAOYSA-N -2 0 365.367 0.617 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cs1 ZINC000559424714 491471480 /nfs/dbraw/zinc/47/14/80/491471480.db2.gz FNWQEQJPPUQQJS-MRVPVSSYSA-N -2 0 365.385 0.521 20 0 FCADRL Cc1ncsc1CCS(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000568096321 491552750 /nfs/dbraw/zinc/55/27/50/491552750.db2.gz XERJUQQXLTVRNK-LBPRGKRZSA-N -2 0 350.418 0.479 20 0 FCADRL Cc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000568398284 491574235 /nfs/dbraw/zinc/57/42/35/491574235.db2.gz VRLZMUWRAAMDOP-MRVPVSSYSA-N -2 0 371.357 0.588 20 0 FCADRL CNC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000588077706 491738556 /nfs/dbraw/zinc/73/85/56/491738556.db2.gz OBDKAOQQHHBDJV-UHFFFAOYSA-N -2 0 353.356 0.882 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c(F)c1 ZINC000581422282 491772182 /nfs/dbraw/zinc/77/21/82/491772182.db2.gz HSDYEDSXJWYMFN-UWVGGRQHSA-N -2 0 361.347 0.630 20 0 FCADRL COC(=O)c1nscc1S(=O)(=O)N[C@@H](C)[C@@H](C(=O)[O-])C(C)C ZINC000581483702 491774526 /nfs/dbraw/zinc/77/45/26/491774526.db2.gz DUMKOCDNPIPBFZ-CBAPKCEASA-N -2 0 350.418 0.953 20 0 FCADRL CCOC(=O)c1ccc(CS(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000590898091 491788461 /nfs/dbraw/zinc/78/84/61/491788461.db2.gz KDOUCMBWDHTUMF-GFCCVEGCSA-N -2 0 373.383 0.601 20 0 FCADRL O=c1[n-]nnn1-c1ccc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)cc1 ZINC000584008907 491856517 /nfs/dbraw/zinc/85/65/17/491856517.db2.gz NYOAXIOLPSSSFA-UHFFFAOYSA-N -2 0 371.329 0.630 20 0 FCADRL O=C(COCC(=O)N=c1ccc(C2CC2)n[n-]1)N=c1ccc(C2CC2)n[n-]1 ZINC000604707638 492068718 /nfs/dbraw/zinc/06/87/18/492068718.db2.gz ADWIFUJWNHGFBH-UHFFFAOYSA-N -2 0 368.397 0.459 20 0 FCADRL CCOC(=O)c1nc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c[nH]1 ZINC000619446088 492263669 /nfs/dbraw/zinc/26/36/69/492263669.db2.gz OMFVMOYANRBLBH-UHFFFAOYSA-N -2 0 358.314 0.897 20 0 FCADRL O=C([O-])CN(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C1CCC1 ZINC000655586971 492460584 /nfs/dbraw/zinc/46/05/84/492460584.db2.gz ILVHXYLTWGXOHF-UHFFFAOYSA-N -2 0 362.354 0.709 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1)C(=O)[O-] ZINC000650392883 492637646 /nfs/dbraw/zinc/63/76/46/492637646.db2.gz NBEICBIDOMUAJU-GFCCVEGCSA-N -2 0 370.383 0.175 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc2c(c1)OC(F)(F)O2)C(=O)[O-] ZINC000650392933 492637735 /nfs/dbraw/zinc/63/77/35/492637735.db2.gz RROKIMNRLWAHDM-SSDOTTSWSA-N -2 0 367.282 0.604 20 0 FCADRL COc1ccc(F)cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000650417668 492639935 /nfs/dbraw/zinc/63/99/35/492639935.db2.gz URNLRBVXABMLOZ-NXEZZACHSA-N -2 0 361.347 0.630 20 0 FCADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cnn(CCO)c2)cc1F ZINC000625080809 492721055 /nfs/dbraw/zinc/72/10/55/492721055.db2.gz UROAQHMINMPKLY-UHFFFAOYSA-N -2 0 359.335 0.279 20 0 FCADRL CCc1noc2ncc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc12 ZINC000681562703 493186439 /nfs/dbraw/zinc/18/64/39/493186439.db2.gz BTIQKRZPGVEMFX-SNVBAGLBSA-N -2 0 357.344 0.382 20 0 FCADRL CC(=O)Nc1cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])ccc1F ZINC000681563723 493186794 /nfs/dbraw/zinc/18/67/94/493186794.db2.gz WWQNXLHCOQCUJC-SNVBAGLBSA-N -2 0 362.335 0.380 20 0 FCADRL COc1cc(F)c(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)c(F)c1 ZINC000681566069 493186877 /nfs/dbraw/zinc/18/68/77/493186877.db2.gz GZQSFTFPWPUNKI-HQJQHLMTSA-N -2 0 351.327 0.741 20 0 FCADRL CCc1nn(C)c(CC)c1S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000681588140 493192482 /nfs/dbraw/zinc/19/24/82/493192482.db2.gz GFEVCECQPZXSQP-OAHLLOKOSA-N -2 0 373.431 0.485 20 0 FCADRL Cc1noc2ncc(S(=O)(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C3)cc12 ZINC000681590980 493193182 /nfs/dbraw/zinc/19/31/82/493193182.db2.gz VZQSAJDFESVDDQ-KOLCDFICSA-N -2 0 369.355 0.327 20 0 FCADRL O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000666570728 493204212 /nfs/dbraw/zinc/20/42/12/493204212.db2.gz NEJPJUONTOPFNA-UONOGXRCSA-N -2 0 350.371 0.958 20 0 FCADRL O=C([O-])CCC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CCO)c2)cc1 ZINC000674335582 493408671 /nfs/dbraw/zinc/40/86/71/493408671.db2.gz NXICZPSRSZUXLC-UHFFFAOYSA-N -2 0 367.383 0.724 20 0 FCADRL O=C([O-])Cc1ccc(C[C@H](NS(=O)(=O)c2ccco2)C(=O)[O-])cc1 ZINC000684561404 493419050 /nfs/dbraw/zinc/41/90/50/493419050.db2.gz AZELGRABKHNREI-LBPRGKRZSA-N -2 0 353.352 0.881 20 0 FCADRL O=C([O-])Cc1ccc(C[C@H](NS(=O)(=O)N2CCCCC2)C(=O)[O-])cc1 ZINC000684562183 493419169 /nfs/dbraw/zinc/41/91/69/493419169.db2.gz QGHQSFJOURTFNK-AWEZNQCLSA-N -2 0 370.427 0.630 20 0 FCADRL O=C([O-])Cc1ccc(C[C@@H](NS(=O)(=O)c2c[nH]cn2)C(=O)[O-])cc1 ZINC000684562036 493419178 /nfs/dbraw/zinc/41/91/78/493419178.db2.gz MLLZBUKELUIPQU-LLVKDONJSA-N -2 0 353.356 0.011 20 0 FCADRL O=C(NCc1nnn[n-]1)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000675623382 493495593 /nfs/dbraw/zinc/49/55/93/493495593.db2.gz PDJDCIFUUCPEDM-UHFFFAOYSA-N -2 0 365.400 0.387 20 0 FCADRL O=C([O-])[C@@H]1N(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC12CCC2 ZINC000663287222 493582106 /nfs/dbraw/zinc/58/21/06/493582106.db2.gz HAQLARFNAINEGR-VIFPVBQESA-N -2 0 366.355 0.064 20 0 FCADRL CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1 ZINC000678716976 493657535 /nfs/dbraw/zinc/65/75/35/493657535.db2.gz VNUVAQBMYAEIRV-UHFFFAOYSA-N -2 0 366.399 0.598 20 0 FCADRL Cc1[nH]nc(C(=O)N(C)CCCN(C)C(=O)c2n[nH]c(C)c2[O-])c1[O-] ZINC000679312001 493674854 /nfs/dbraw/zinc/67/48/54/493674854.db2.gz VROLGRCLCDQQJJ-UHFFFAOYSA-N -2 0 350.379 0.395 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cn1 ZINC000438789210 536380332 /nfs/dbraw/zinc/38/03/32/536380332.db2.gz AOEXFYILLRSOIL-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])ccc21 ZINC000327001017 546510731 /nfs/dbraw/zinc/51/07/31/546510731.db2.gz KENQWKGDOAUMDW-GFCCVEGCSA-N -2 0 370.383 0.192 20 0 FCADRL Cc1sc(Br)cc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-] ZINC000125631344 546541834 /nfs/dbraw/zinc/54/18/34/546541834.db2.gz FOSSOHOMMYSDCE-UHFFFAOYSA-N -2 0 372.218 0.979 20 0 FCADRL CCOC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC000594463032 546794748 /nfs/dbraw/zinc/79/47/48/546794748.db2.gz VHHJTLNCMTXSKW-UHFFFAOYSA-N -2 0 367.383 0.874 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)NC(N)=O)c1 ZINC000549935013 547074491 /nfs/dbraw/zinc/07/44/91/547074491.db2.gz SPTWNZRRVMLTBX-UHFFFAOYSA-N -2 0 367.339 0.896 20 0 FCADRL CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cn1C ZINC000324544868 597314918 /nfs/dbraw/zinc/31/49/18/597314918.db2.gz SQWWLVXAGZUXIX-UHFFFAOYSA-N -2 0 351.384 0.813 20 0 FCADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cc1 ZINC000821544719 598160271 /nfs/dbraw/zinc/16/02/71/598160271.db2.gz VUKDCFQHMDWOMY-UHFFFAOYSA-N -2 0 373.350 0.479 20 0 FCADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(C(N)=O)cc1OC ZINC000737899949 599738710 /nfs/dbraw/zinc/73/87/10/599738710.db2.gz ORRKRUHXCUIRCB-UHFFFAOYSA-N -2 0 370.339 0.895 20 0 FCADRL CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c1 ZINC000737155712 599738844 /nfs/dbraw/zinc/73/88/44/599738844.db2.gz SZAZAVUDULXHNM-UHFFFAOYSA-N -2 0 353.356 0.945 20 0 FCADRL Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)c2n1 ZINC000738793187 599793284 /nfs/dbraw/zinc/79/32/84/599793284.db2.gz SRSWBIGCRBUPAJ-UHFFFAOYSA-N -2 0 366.380 0.916 20 0 FCADRL O=C([O-])NCCCC(=O)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000739956609 599801134 /nfs/dbraw/zinc/80/11/34/599801134.db2.gz HTCVBMZRGIPOGO-UHFFFAOYSA-N -2 0 360.779 0.840 20 0 FCADRL CC[C@H](C)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)OC)c1)C(=O)[O-] ZINC000737238222 599870707 /nfs/dbraw/zinc/87/07/07/599870707.db2.gz XVBLKYQIPAJFOG-UFBFGSQYSA-N -2 0 373.383 0.949 20 0 FCADRL COC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C(C)C ZINC000737633372 599884532 /nfs/dbraw/zinc/88/45/32/599884532.db2.gz MAVGUIFKNPCRJR-SECBINFHSA-N -2 0 364.401 0.632 20 0 FCADRL CC(C)[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000736376190 599884948 /nfs/dbraw/zinc/88/49/48/599884948.db2.gz SAIIKQGQQBMTBR-CYBMUJFWSA-N -2 0 366.399 0.969 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-])c1 ZINC000737714928 599912608 /nfs/dbraw/zinc/91/26/08/599912608.db2.gz ZGRBZDGKZWPDPV-UHFFFAOYSA-N -2 0 358.372 0.668 20 0 FCADRL CCN(CC(=O)[O-])C(=O)c1ccc(-n2[n-]c(CC(=O)OC)cc2=O)cc1 ZINC000737075914 600025397 /nfs/dbraw/zinc/02/53/97/600025397.db2.gz JAVCHTRUQHOBIM-UHFFFAOYSA-N -2 0 361.354 0.428 20 0 FCADRL C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736699527 600129760 /nfs/dbraw/zinc/12/97/60/600129760.db2.gz DLTMTMFKDXTSGK-RKDXNWHRSA-N -2 0 363.413 0.835 20 0 FCADRL O=C([O-])[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1cc(F)ccc1F ZINC000739355890 600152778 /nfs/dbraw/zinc/15/27/78/600152778.db2.gz RUSWXLCMAGWKDQ-GFCCVEGCSA-N -2 0 363.280 0.292 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000739843090 600178571 /nfs/dbraw/zinc/17/85/71/600178571.db2.gz ZYCIGCAWGQIXLU-UHFFFAOYSA-N -2 0 357.775 0.729 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)c1C(=O)[O-] ZINC000738828531 600231126 /nfs/dbraw/zinc/23/11/26/600231126.db2.gz FIBBNZFMNQMWIL-UHFFFAOYSA-N -2 0 352.372 0.919 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000739696030 600461233 /nfs/dbraw/zinc/46/12/33/600461233.db2.gz VWCFNDQJFBDNRY-CYBMUJFWSA-N -2 0 368.411 0.346 20 0 FCADRL CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1 ZINC000736869803 600462073 /nfs/dbraw/zinc/46/20/73/600462073.db2.gz SVHDXFQDIGBMNM-VXGBXAGGSA-N -2 0 362.448 0.582 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])cc1 ZINC000391342890 600514389 /nfs/dbraw/zinc/51/43/89/600514389.db2.gz CRQVDXGCYOBBNN-UHFFFAOYSA-N -2 0 356.381 0.984 20 0 FCADRL COc1cc(F)c(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1OC ZINC000325134287 600529305 /nfs/dbraw/zinc/52/93/05/600529305.db2.gz PHQMVHAXLRQDBK-UHFFFAOYSA-N -2 0 359.335 0.925 20 0 FCADRL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC000737694174 600529922 /nfs/dbraw/zinc/52/99/22/600529922.db2.gz NKDSJPSVFCCNLT-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1 ZINC000737228523 600530950 /nfs/dbraw/zinc/53/09/50/600530950.db2.gz BFPQTODQPLIXSL-UHFFFAOYSA-N -2 0 373.412 0.562 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N(C)C[C@@H](C)C(=O)[O-])c1 ZINC000263050847 600593852 /nfs/dbraw/zinc/59/38/52/600593852.db2.gz WVUNTQOJJWMXJM-SECBINFHSA-N -2 0 371.415 0.809 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)n1 ZINC000739691497 674487946 /nfs/dbraw/zinc/48/79/46/674487946.db2.gz ISANGMDIGGRDIH-UHFFFAOYSA-N -2 0 352.372 0.121 20 0 FCADRL CCNC(=O)c1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000324887575 600671870 /nfs/dbraw/zinc/67/18/70/600671870.db2.gz SICPLBYWFVOYIV-UHFFFAOYSA-N -2 0 352.372 0.518 20 0 FCADRL CS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000319968036 600673543 /nfs/dbraw/zinc/67/35/43/600673543.db2.gz DOQPUBAAQBZXFC-UHFFFAOYSA-N -2 0 359.385 0.172 20 0 FCADRL COC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000737676512 600674038 /nfs/dbraw/zinc/67/40/38/600674038.db2.gz YVOYZUSOAQVGAQ-UHFFFAOYSA-N -2 0 369.355 0.564 20 0 FCADRL Cn1c(=O)oc2ccc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)cc21 ZINC000833039522 600680857 /nfs/dbraw/zinc/68/08/57/600680857.db2.gz YLLGLUSDNKSVJI-UHFFFAOYSA-N -2 0 352.328 0.213 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c(C(N)=O)cc1F ZINC000832900036 600684395 /nfs/dbraw/zinc/68/43/95/600684395.db2.gz YLFVVNQJQMZFHM-UHFFFAOYSA-N -2 0 356.335 0.315 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)c1C(=O)[O-] ZINC000832992114 600687390 /nfs/dbraw/zinc/68/73/90/600687390.db2.gz XXDOEUDJBDOABA-UHFFFAOYSA-N -2 0 357.310 0.806 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)ccc1S(N)(=O)=O ZINC000728184511 600814422 /nfs/dbraw/zinc/81/44/22/600814422.db2.gz HEHRBJOANIDXSB-UHFFFAOYSA-N -2 0 373.412 0.480 20 0 FCADRL COC(=O)Cc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1 ZINC000831192523 600827882 /nfs/dbraw/zinc/82/78/82/600827882.db2.gz MIPGAAXAGVLZSP-UHFFFAOYSA-N -2 0 359.385 0.696 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2N2CCOCC2)c[nH]1 ZINC000833306346 600979876 /nfs/dbraw/zinc/97/98/76/600979876.db2.gz VECYLXJWFYFSNI-UHFFFAOYSA-N -2 0 352.372 0.745 20 0 FCADRL NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cc1 ZINC000833089643 600982986 /nfs/dbraw/zinc/98/29/86/600982986.db2.gz ZEYUTNYZEAKRPN-UHFFFAOYSA-N -2 0 357.369 0.228 20 0 FCADRL COC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC000831192754 600987006 /nfs/dbraw/zinc/98/70/06/600987006.db2.gz SUBVFHPIYYFDEJ-UHFFFAOYSA-N -2 0 374.762 0.604 20 0 FCADRL COC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1 ZINC000831192593 600987074 /nfs/dbraw/zinc/98/70/74/600987074.db2.gz PRPXNTHBZBDQSG-UHFFFAOYSA-N -2 0 354.344 0.259 20 0 FCADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)cc2)cc1C(=O)[O-] ZINC000833029953 601232401 /nfs/dbraw/zinc/23/24/01/601232401.db2.gz OWKFRFHLXNAJHN-UHFFFAOYSA-N -2 0 368.367 0.809 20 0 FCADRL COCCn1nc(C)c([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])c1C ZINC000831807638 601234900 /nfs/dbraw/zinc/23/49/00/601234900.db2.gz SGHYOPZVWGZDGM-UHFFFAOYSA-N -2 0 357.392 0.677 20 0 FCADRL COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000831074246 601271982 /nfs/dbraw/zinc/27/19/82/601271982.db2.gz WDFJAEMAZQSOEU-SNVBAGLBSA-N -2 0 365.317 0.772 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)n1 ZINC000751143943 601483825 /nfs/dbraw/zinc/48/38/25/601483825.db2.gz ZGVVIONMVRLLAS-UHFFFAOYSA-N -2 0 374.325 0.536 20 0 FCADRL CCC(CC)(CC(=O)[O-])NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000828809951 601521014 /nfs/dbraw/zinc/52/10/14/601521014.db2.gz AIJXDWKKOJDEKN-UHFFFAOYSA-N -2 0 370.387 0.748 20 0 FCADRL CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000829648251 601598552 /nfs/dbraw/zinc/59/85/52/601598552.db2.gz HXBUBNMVCZXTCC-UHFFFAOYSA-N -2 0 362.429 0.900 20 0 FCADRL COC(=O)C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)[O-] ZINC000831134588 601757628 /nfs/dbraw/zinc/75/76/28/601757628.db2.gz RKTPSKSAKJPHKW-SNVBAGLBSA-N -2 0 351.290 0.463 20 0 FCADRL CCCc1c(C(=O)[N-]S(=O)(=O)N(C)CCOC)[nH]c(C)c1C(=O)[O-] ZINC000829562500 601770281 /nfs/dbraw/zinc/77/02/81/601770281.db2.gz HATHSCWTCZAZKM-UHFFFAOYSA-N -2 0 361.420 0.527 20 0 FCADRL CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)c1 ZINC000831038729 601784468 /nfs/dbraw/zinc/78/44/68/601784468.db2.gz SSLVORSUQNJCDN-UHFFFAOYSA-N -2 0 373.412 0.432 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])n1 ZINC000831192681 601860963 /nfs/dbraw/zinc/86/09/63/601860963.db2.gz REFPPRXRXJFWDW-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL O=C([O-])CSc1ccc(OC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1 ZINC000833264392 601872665 /nfs/dbraw/zinc/87/26/65/601872665.db2.gz QCZVPPDCZKAERD-UHFFFAOYSA-N -2 0 360.351 0.854 20 0 FCADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000833347296 602158470 /nfs/dbraw/zinc/15/84/70/602158470.db2.gz XLOOVCIEICFCPL-UHFFFAOYSA-N -2 0 374.421 0.972 20 0 FCADRL Cc1c(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cnn1-c1ccccn1 ZINC000832856659 602197050 /nfs/dbraw/zinc/19/70/50/602197050.db2.gz XFLPCEYZXPUQKT-UHFFFAOYSA-N -2 0 362.371 0.658 20 0 FCADRL CCO[C@@H](CC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)C(C)C ZINC000829912783 602241549 /nfs/dbraw/zinc/24/15/49/602241549.db2.gz OZNZUPGTXUHFRR-LBPRGKRZSA-N -2 0 350.437 0.595 20 0 FCADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1F ZINC000831434760 602321238 /nfs/dbraw/zinc/32/12/38/602321238.db2.gz BILGEFHYSACGAO-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL O=C([O-])NCCCC(=O)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000739956135 602686223 /nfs/dbraw/zinc/68/62/23/602686223.db2.gz BBYACRIXPOXNLK-UHFFFAOYSA-N -2 0 366.193 0.697 20 0 FCADRL O=C([O-])CCCN(Cc1ccccc1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000833226569 604352546 /nfs/dbraw/zinc/35/25/46/604352546.db2.gz HJWZTJMLRUAMPB-UHFFFAOYSA-N -2 0 369.381 0.965 20 0 FCADRL CC(C)[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000736376370 604373905 /nfs/dbraw/zinc/37/39/05/604373905.db2.gz UWRILZBXFZJUJT-ZDUSSCGKSA-N -2 0 369.399 0.668 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)cc1C(N)=O ZINC000833056201 604625570 /nfs/dbraw/zinc/62/55/70/604625570.db2.gz YYEJOTPZFDIRIF-UHFFFAOYSA-N -2 0 358.401 0.399 20 0 FCADRL Cc1cncc(/C=C/C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000832986975 604665813 /nfs/dbraw/zinc/66/58/13/604665813.db2.gz SDXNJFFAQUJJDA-NSCUHMNNSA-N -2 0 353.400 0.561 20 0 FCADRL CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000829961123 604713913 /nfs/dbraw/zinc/71/39/13/604713913.db2.gz PKRXGSJSNXEBQP-SECBINFHSA-N -2 0 350.331 0.306 20 0 FCADRL O=C([O-])[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000833361402 604732427 /nfs/dbraw/zinc/73/24/27/604732427.db2.gz VWQYGDPFOHIODJ-PHDIDXHHSA-N -2 0 374.758 0.197 20 0 FCADRL CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c1C ZINC000829869627 604767776 /nfs/dbraw/zinc/76/77/76/604767776.db2.gz GCBWDWGPCSMHNZ-UHFFFAOYSA-N -2 0 370.387 0.890 20 0 FCADRL COCCN(CC(=O)[O-])S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000833723422 604880286 /nfs/dbraw/zinc/88/02/86/604880286.db2.gz CVCGHPQYFCRHND-UHFFFAOYSA-N -2 0 351.764 0.760 20 0 FCADRL CCS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000325122741 605050878 /nfs/dbraw/zinc/05/08/78/605050878.db2.gz XXXQCYCFSJGNIM-UHFFFAOYSA-N -2 0 373.412 0.562 20 0 FCADRL CCOC(=O)Cc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)s1 ZINC000833659042 605053040 /nfs/dbraw/zinc/05/30/40/605053040.db2.gz PJMKCWSIDVGQPO-UHFFFAOYSA-N -2 0 361.357 0.736 20 0 FCADRL CC1(C)OCC(C)(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)CO1 ZINC000833562560 605117608 /nfs/dbraw/zinc/11/76/08/605117608.db2.gz UGJJQGWYTNNPKF-UHFFFAOYSA-N -2 0 357.384 0.979 20 0 FCADRL COc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cccc1C(N)=O ZINC000833726587 605169710 /nfs/dbraw/zinc/16/97/10/605169710.db2.gz DLTLDLFPCRXENH-UHFFFAOYSA-N -2 0 351.340 0.688 20 0 FCADRL Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC000822623402 606710281 /nfs/dbraw/zinc/71/02/81/606710281.db2.gz VPMSHPVIEDXXJA-UHFFFAOYSA-N -2 0 367.322 0.238 20 0 FCADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)c1cccn1C ZINC000055574795 666543382 /nfs/dbraw/zinc/54/33/82/666543382.db2.gz MLPWJSMDGDQFMZ-UHFFFAOYSA-N -2 0 351.384 0.909 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]NC(=O)c2cccn2C)ccc1OCC(=O)[O-] ZINC000063476494 666605590 /nfs/dbraw/zinc/60/55/90/666605590.db2.gz JWJNVJNDZBRNDH-UHFFFAOYSA-N -2 0 367.383 0.420 20 0 FCADRL O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)NC3(C(=O)[O-])CC3)cc2)C1 ZINC000914792026 666797721 /nfs/dbraw/zinc/79/77/21/666797721.db2.gz ZHCWBFMOPSMCLU-VIFPVBQESA-N -2 0 368.367 0.020 20 0 FCADRL Cc1cc(C)[nH]c(=NNS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)n1 ZINC000915044936 666817701 /nfs/dbraw/zinc/81/77/01/666817701.db2.gz IDJHUDZOXHOKBJ-UHFFFAOYSA-N -2 0 352.372 0.862 20 0 FCADRL COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000733715380 666925796 /nfs/dbraw/zinc/92/57/96/666925796.db2.gz DHDXNHXMZOSPFP-QMMMGPOBSA-N -2 0 371.440 0.317 20 0 FCADRL CC(C)C[C@H](NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)[O-] ZINC000916105552 666991334 /nfs/dbraw/zinc/99/13/34/666991334.db2.gz CTVNAVQTJMZBMS-LBPRGKRZSA-N -2 0 372.399 0.279 20 0 FCADRL N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000325413714 667024235 /nfs/dbraw/zinc/02/42/35/667024235.db2.gz FNXQGYJXPOGWQE-WPRPVWTQSA-N -2 0 356.331 0.493 20 0 FCADRL CC(=O)c1csc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000736196275 667085630 /nfs/dbraw/zinc/08/56/30/667085630.db2.gz LXHLYCSUJBWJDD-UHFFFAOYSA-N -2 0 360.413 0.722 20 0 FCADRL Cc1[nH]nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1C(N)=O ZINC000760520068 667852638 /nfs/dbraw/zinc/85/26/38/667852638.db2.gz QXSANXWTVJJPPT-UHFFFAOYSA-N -2 0 356.335 0.764 20 0 FCADRL C[C@](O)(CNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)C(=O)[O-] ZINC000769750228 668151577 /nfs/dbraw/zinc/15/15/77/668151577.db2.gz RUKMVNBBOKBTKG-HNNXBMFYSA-N -2 0 351.384 0.027 20 0 FCADRL COc1cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cnc1Cl ZINC000776437627 668261650 /nfs/dbraw/zinc/26/16/50/668261650.db2.gz ZRWOCHNONXUOKR-ZETCQYMHSA-N -2 0 352.752 0.340 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc2nc(Cl)cnc2c1)C(=O)[O-] ZINC000776437448 668261908 /nfs/dbraw/zinc/26/19/08/668261908.db2.gz MEIQJHKVMZBIAV-SECBINFHSA-N -2 0 373.774 0.880 20 0 FCADRL COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000776445504 668263276 /nfs/dbraw/zinc/26/32/76/668263276.db2.gz YESVQMAANBUPDU-TZOMUSMUSA-N -2 0 357.340 0.079 20 0 FCADRL COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000776445503 668263292 /nfs/dbraw/zinc/26/32/92/668263292.db2.gz YESVQMAANBUPDU-MEQVVJDKSA-N -2 0 357.340 0.079 20 0 FCADRL O=C([O-])CCC[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)OC2)C(=O)[O-] ZINC000788439937 668828736 /nfs/dbraw/zinc/82/87/36/668828736.db2.gz PFYSHDZXVPINGI-LLVKDONJSA-N -2 0 357.340 0.343 20 0 FCADRL O=c1[n-]nnn1-c1ccc([N-]S(=O)(=O)N=S2(=O)CCCC2)cc1 ZINC000821198030 669168434 /nfs/dbraw/zinc/16/84/34/669168434.db2.gz JUCAIPHOUUYSFT-UHFFFAOYSA-N -2 0 358.405 0.286 20 0 FCADRL C[C@@](CNS(=O)(=O)c1cnc(Cl)c(F)c1)(CC(=O)[O-])C(=O)[O-] ZINC000844789324 670943177 /nfs/dbraw/zinc/94/31/77/670943177.db2.gz LAUUEUGSTZUHIF-NSHDSACASA-N -2 0 354.743 0.718 20 0 FCADRL Cc1ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c(Cl)n1 ZINC000844790320 670943552 /nfs/dbraw/zinc/94/35/52/670943552.db2.gz SANZIAQSFRLVGW-LBPRGKRZSA-N -2 0 350.780 0.887 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2cnc(Cl)c(F)c2)CC[C@@H]1C(=O)[O-] ZINC000844793040 670944415 /nfs/dbraw/zinc/94/44/15/670944415.db2.gz REURRCLGTPVWRX-YUMQZZPRSA-N -2 0 366.754 0.670 20 0 FCADRL COC(=O)c1cc(C)c(F)c(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000848676691 671289455 /nfs/dbraw/zinc/28/94/55/671289455.db2.gz YLYMMLMPQPWULG-QMMMGPOBSA-N -2 0 363.319 0.127 20 0 FCADRL Cc1nnsc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852958415 671534060 /nfs/dbraw/zinc/53/40/60/671534060.db2.gz KZHIBQNEYQIDLG-RQJHMYQMSA-N -2 0 366.321 0.583 20 0 FCADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000853062324 671536124 /nfs/dbraw/zinc/53/61/24/671536124.db2.gz LQTUVKCMEKSVJH-GFCCVEGCSA-N -2 0 357.384 0.811 20 0 FCADRL O=C([O-])COc1ccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])cc1 ZINC000853062806 671536149 /nfs/dbraw/zinc/53/61/49/671536149.db2.gz UPOGBZKTJOPXPT-SNVBAGLBSA-N -2 0 359.356 0.014 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)C(=O)[O-] ZINC000013027329 671859321 /nfs/dbraw/zinc/85/93/21/671859321.db2.gz JKGPPRVDMXKFHX-QMMMGPOBSA-N -3 0 365.747 0.635 20 0 FCADRL CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)c1 ZINC000863952732 672163918 /nfs/dbraw/zinc/16/39/18/672163918.db2.gz DULMFRPDIYWKLL-UHFFFAOYSA-N -2 0 373.408 0.316 20 0 FCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC=CC1 ZINC000863953100 672164201 /nfs/dbraw/zinc/16/42/01/672164201.db2.gz KYKGYDNFZGEOKI-UHFFFAOYSA-N -2 0 364.379 0.797 20 0 FCADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000863953859 672164617 /nfs/dbraw/zinc/16/46/17/672164617.db2.gz BHHJCXBDXDYDPZ-HNNXBMFYSA-N -2 0 369.399 0.161 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])CC2(C)C)c1 ZINC000863953991 672164624 /nfs/dbraw/zinc/16/46/24/672164624.db2.gz HQEAYUUPDVDMRD-HNNXBMFYSA-N -2 0 355.368 0.779 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)cc1 ZINC000863955366 672165551 /nfs/dbraw/zinc/16/55/51/672165551.db2.gz JOFDXXDEPKPZDX-UHFFFAOYSA-N -2 0 361.397 0.150 20 0 FCADRL COc1c(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CCCC2)c(C)nn1C ZINC000863960041 672167696 /nfs/dbraw/zinc/16/76/96/672167696.db2.gz SYPSKDHPWSXITC-SNVBAGLBSA-N -2 0 359.404 0.433 20 0 FCADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000863959630 672167700 /nfs/dbraw/zinc/16/77/00/672167700.db2.gz LBIFYDGTVKAXIE-UHFFFAOYSA-N -2 0 353.347 0.844 20 0 FCADRL CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000863961878 672168943 /nfs/dbraw/zinc/16/89/43/672168943.db2.gz VFLJWMRZLDJQOH-LBPRGKRZSA-N -2 0 356.400 0.349 20 0 FCADRL CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)cc1 ZINC000863961875 672168977 /nfs/dbraw/zinc/16/89/77/672168977.db2.gz VFLJWMRZLDJQOH-GFCCVEGCSA-N -2 0 356.400 0.349 20 0 FCADRL Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)[C@@]3(C(=O)[O-])CC3(C)C)cc12 ZINC000863962655 672169187 /nfs/dbraw/zinc/16/91/87/672169187.db2.gz SHRMOISCHKLDFK-OAHLLOKOSA-N -2 0 366.399 0.583 20 0 FCADRL NC(=O)c1ccccc1CS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000863962536 672169214 /nfs/dbraw/zinc/16/92/14/672169214.db2.gz NYVOJXWFOMXRBO-CYBMUJFWSA-N -2 0 368.411 0.623 20 0 FCADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000863963590 672169778 /nfs/dbraw/zinc/16/97/78/672169778.db2.gz BKMGVLUHYGTIRV-MWLCHTKSSA-N -2 0 359.404 0.396 20 0 FCADRL O=C([O-])CC1(C(=O)[N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CCC1 ZINC000863963425 672169797 /nfs/dbraw/zinc/16/97/97/672169797.db2.gz WFRLHGKNZVLVCA-UHFFFAOYSA-N -2 0 354.340 0.983 20 0 FCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)CC=CC1 ZINC000863964211 672170157 /nfs/dbraw/zinc/17/01/57/672170157.db2.gz OZMPJVLNRKUQBC-JTQLQIEISA-N -2 0 355.372 0.070 20 0 FCADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)C1CCCC1 ZINC000863964555 672170479 /nfs/dbraw/zinc/17/04/79/672170479.db2.gz WJMQZPBJHZRDOG-WCQYABFASA-N -2 0 371.415 0.540 20 0 FCADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000863964636 672170558 /nfs/dbraw/zinc/17/05/58/672170558.db2.gz YKWZJMVODIZRQN-OTYXRUKQSA-N -2 0 357.388 0.150 20 0 FCADRL Cn1cc(CCNC(=O)N[N-]C(=O)c2nn(-c3ccccc3)cc2[O-])cn1 ZINC000046994407 1187539719 /nfs/dbraw/zinc/53/97/19/1187539719.db2.gz AJYURHCAZUCFIW-UHFFFAOYSA-N -2 0 369.385 0.498 20 0 FCADRL O=C([N-]Cc1ncccn1)C(F)(F)C(F)(F)C(=O)[N-]Cc1ncccn1 ZINC000770042104 1200395597 /nfs/dbraw/zinc/39/55/97/1200395597.db2.gz HYYULTCSYLQIJJ-UHFFFAOYSA-N -2 0 372.282 0.470 20 0 FCADRL COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001185604498 1206483195 /nfs/dbraw/zinc/48/31/95/1206483195.db2.gz IWKQISKDPCWZBN-UHFFFAOYSA-N -2 0 374.382 0.775 20 0 FCADRL Cc1cc(C(=O)OCc2n[nH]c(=O)[n-]2)cc(C(=O)OCc2n[nH]c(=O)[n-]2)c1 ZINC000774983901 1206494053 /nfs/dbraw/zinc/49/40/53/1206494053.db2.gz BDUCFOIINFUOOX-UHFFFAOYSA-N -2 0 374.313 0.356 20 0 FCADRL CC(C)C(=O)Oc1cccc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001223894918 1225744391 /nfs/dbraw/zinc/74/43/91/1225744391.db2.gz DTWUWFPJJLGUKN-GXTWGEPZSA-N -2 0 368.338 0.828 20 0 FCADRL CC(=O)Nc1ccc(OCCOC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001224403565 1225778394 /nfs/dbraw/zinc/77/83/94/1225778394.db2.gz XGNQBISBIWXOCQ-TZMCWYRMSA-N -2 0 369.326 0.103 20 0 FCADRL O=C([O-])C[C@H](C(=O)OCCCC(=O)OCc1ccccc1)[C@@H](O)C(=O)[O-] ZINC001224736512 1225791321 /nfs/dbraw/zinc/79/13/21/1225791321.db2.gz NCTAZIMMFXONDK-SWLSCSKDSA-N -2 0 368.338 0.590 20 0 FCADRL CCN(CC)C(=O)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225319901 1225806932 /nfs/dbraw/zinc/80/69/32/1225806932.db2.gz VHLLKAHFIMLGEY-BXUZGUMPSA-N -2 0 367.354 0.610 20 0 FCADRL Cc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc(-c2ccccn2)n1 ZINC001226271785 1225838153 /nfs/dbraw/zinc/83/81/53/1225838153.db2.gz FYWYTZUNBNDULD-ZANVPECISA-N -2 0 361.310 0.289 20 0 FCADRL Cc1cc(=O)oc2cc(O)cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c12 ZINC001226487024 1225845385 /nfs/dbraw/zinc/84/53/85/1225845385.db2.gz UDIFLOJKWFCYBG-XLKFXECMSA-N -2 0 366.278 0.249 20 0 FCADRL COc1cc2ccc(=O)oc2cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227565120 1225878633 /nfs/dbraw/zinc/87/86/33/1225878633.db2.gz WLANJYGVVFGUMV-CLAHSXSESA-N -2 0 366.278 0.243 20 0 FCADRL COC(=O)c1cccc(C(C)=O)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001231070721 1226098604 /nfs/dbraw/zinc/09/86/04/1226098604.db2.gz WSDVTLYKSYTIIR-JQWIXIFHSA-N -2 0 368.294 0.118 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cccnc1-c1ncccc1O)[C@H](O)C(=O)[O-] ZINC001231204944 1226101953 /nfs/dbraw/zinc/10/19/53/1226101953.db2.gz VKMAXJUOHVSULX-RTHLEPHNSA-N -2 0 362.294 0.291 20 0 FCADRL O=C([O-])C[C@H](C(=O)OCCCn1c(=O)[nH]c2ccccc21)[C@H](O)C(=O)[O-] ZINC001206364815 1223356850 /nfs/dbraw/zinc/35/68/50/1223356850.db2.gz VVPNBLXWWXGUJP-ZANVPECISA-N -2 0 366.326 0.212 20 0 FCADRL COC(=O)c1c[nH]c2cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccc21 ZINC001233537754 1259552800 /nfs/dbraw/zinc/55/28/00/1259552800.db2.gz AGJNKAJUSZGWAB-NOZJJQNGSA-N -2 0 365.294 0.396 20 0 FCADRL CCOC(=O)c1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n(C(C)C)n1 ZINC001234120402 1259557029 /nfs/dbraw/zinc/55/70/29/1259557029.db2.gz SRVGTVXNBMABCG-QPUJVOFHSA-N -2 0 372.330 0.083 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1nc[nH]c(=O)c1-c1ccccc1)[C@H](O)C(=O)[O-] ZINC001234692641 1259563648 /nfs/dbraw/zinc/56/36/48/1259563648.db2.gz QIYBDUICYQGBGH-CABZTGNLSA-N -2 0 362.294 0.291 20 0 FCADRL CCOC(=O)c1ccc(OC)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234758312 1259564598 /nfs/dbraw/zinc/56/45/98/1259564598.db2.gz GYOYRJCUIYZRIT-MFKMUULPSA-N -2 0 370.310 0.314 20 0 FCADRL COc1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc2oc(=O)ccc12 ZINC001234769686 1259564964 /nfs/dbraw/zinc/56/49/64/1259564964.db2.gz KNFLGAMBDPPURJ-YMTOWFKASA-N -2 0 366.278 0.243 20 0 FCADRL CC(C)C(=O)N(C)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001234835529 1259565040 /nfs/dbraw/zinc/56/50/40/1259565040.db2.gz BTZYTVAUGIBSJZ-OCCSQVGLSA-N -2 0 367.354 0.747 20 0 FCADRL C[C@](CNC(=O)N1C[C@@H]2COC[C@@]2(C(=O)[O-])C1)(C(=O)[O-])c1ccccc1 ZINC001552397994 1268458063 /nfs/dbraw/zinc/45/80/63/1268458063.db2.gz HLXGIRVMARBRLU-XWIAVFTESA-N -2 0 362.382 0.772 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(F)cc2nccnc21 ZINC001603186809 1287323989 /nfs/dbraw/zinc/32/39/89/1287323989.db2.gz BRJIMOOMWIKHJY-JGVFFNPUSA-N -2 0 355.347 0.938 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(F)cc2nccnc21 ZINC001603186811 1287324549 /nfs/dbraw/zinc/32/45/49/1287324549.db2.gz BRJIMOOMWIKHJY-YUMQZZPRSA-N -2 0 355.347 0.938 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CN1C(=O)CSc2ccccc21 ZINC001603204052 1287328896 /nfs/dbraw/zinc/32/88/96/1287328896.db2.gz HKKJGTJGBRPVOT-QMMMGPOBSA-N -2 0 358.397 0.044 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC001603203782 1287329907 /nfs/dbraw/zinc/32/99/07/1287329907.db2.gz CURZQEGCICABQS-SSDOTTSWSA-N -2 0 359.310 0.683 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)[N-]S(=O)(=O)CC(=O)[O-])C1 ZINC001603397275 1287367525 /nfs/dbraw/zinc/36/75/25/1287367525.db2.gz TVEYVAKSNPQTFP-SCZZXKLOSA-N -2 0 368.383 0.112 20 0 FCADRL CC(C)(C)OC(=O)N1CCCN(C(=O)CCc2nnn[n-]2)[C@@H](C(=O)[O-])C1 ZINC001603413201 1287369701 /nfs/dbraw/zinc/36/97/01/1287369701.db2.gz NSJRGEPTEPWIEF-SNVBAGLBSA-N -2 0 368.394 0.055 20 0 FCADRL CC(C)(C)OC(=O)N1CCCN(C(=O)CCc2nnn[n-]2)[C@H](C(=O)[O-])C1 ZINC001603413199 1287370077 /nfs/dbraw/zinc/37/00/77/1287370077.db2.gz NSJRGEPTEPWIEF-JTQLQIEISA-N -2 0 368.394 0.055 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1cccc(N2CCNC2=O)c1)C(=O)[O-] ZINC001603660800 1287460793 /nfs/dbraw/zinc/46/07/93/1287460793.db2.gz QYELGEBVJSLOFS-UHFFFAOYSA-N -2 0 369.399 0.387 20 0 FCADRL C[C@@H](C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CCOCC1 ZINC001589030130 1282779540 /nfs/dbraw/zinc/77/95/40/1282779540.db2.gz KCATXUIKPNLOQZ-SECBINFHSA-N -2 0 373.373 0.721 20 0 FCADRL C[C@@H](CC(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@@H]1CCCO1 ZINC001589795947 1283010818 /nfs/dbraw/zinc/01/08/18/1283010818.db2.gz QLGJZWCSWKJHPB-CABZTGNLSA-N -2 0 373.373 0.863 20 0 FCADRL C[C@H]1Cc2n[nH]cc2CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1 ZINC001590327692 1283473719 /nfs/dbraw/zinc/47/37/19/1283473719.db2.gz QXYGNEAPZDMMLC-VIFPVBQESA-N -2 0 366.389 0.533 20 0 FCADRL CO[C@@H]1CC[C@@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1 ZINC001591347029 1284485450 /nfs/dbraw/zinc/48/54/50/1284485450.db2.gz AINVVIVIQBJDGZ-PSASIEDQSA-N -2 0 359.346 0.473 20 0 FCADRL CSCC[C@H](NS(=O)(=O)c1ccsc1-c1nnn[n-]1)C(=O)[O-] ZINC001591700731 1284838246 /nfs/dbraw/zinc/83/82/46/1284838246.db2.gz SJDIORYTQKRSJG-LURJTMIESA-N -2 0 363.446 0.413 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)cccc1-n1cnnn1 ZINC001591828916 1284931859 /nfs/dbraw/zinc/93/18/59/1284931859.db2.gz ZCZULTTUQGJNBB-UHFFFAOYSA-N -2 0 373.358 0.545 20 0 FCADRL Cc1ncc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1-c1nn[nH]n1 ZINC001592415362 1285337725 /nfs/dbraw/zinc/33/77/25/1285337725.db2.gz WMIYOSUCKBNTAS-UHFFFAOYSA-N -2 0 374.382 0.998 20 0 FCADRL O=C(OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@H]1CCCCS1 ZINC001593296028 1286067834 /nfs/dbraw/zinc/06/78/34/1286067834.db2.gz YQRHLQRCWCQKNJ-SNVBAGLBSA-N -2 0 361.387 0.944 20 0 FCADRL O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2nnn[n-]2)o1 ZINC001593445210 1286159540 /nfs/dbraw/zinc/15/95/40/1286159540.db2.gz CPFPTWHTFNNTKE-UHFFFAOYSA-N -2 0 359.331 0.441 20 0 FCADRL O=c1cc(CN[C@H](CCO)c2ccco2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001593529904 1286194303 /nfs/dbraw/zinc/19/43/03/1286194303.db2.gz WOBGZFGBTVTHHY-LLVKDONJSA-N -2 0 356.346 0.421 20 0 FCADRL Cc1c([C@H](NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C(=O)[O-])cnn1C ZINC001600009520 1286422917 /nfs/dbraw/zinc/42/29/17/1286422917.db2.gz OAOCYZFBVGVRKY-LBPRGKRZSA-N -2 0 371.346 0.670 20 0 FCADRL Cc1c([C@H](NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C(=O)[O-])cnn1C ZINC001600008572 1286423194 /nfs/dbraw/zinc/42/31/94/1286423194.db2.gz BZUVQFCZBJPPRL-ZDUSSCGKSA-N -2 0 367.383 0.672 20 0 FCADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001600013853 1286424349 /nfs/dbraw/zinc/42/43/49/1286424349.db2.gz HDGVLLRKZGESSY-PSASIEDQSA-N -2 0 363.775 0.555 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])n(C2CCOCC2)n1 ZINC001600096361 1286440537 /nfs/dbraw/zinc/44/05/37/1286440537.db2.gz JVLXMGZRJDVCRV-GHMZBOCLSA-N -2 0 373.431 0.712 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)NC[C@H]3[C@@H](C(=O)[O-])C3(F)F)cc2=O)n1 ZINC001600182056 1286451269 /nfs/dbraw/zinc/45/12/69/1286451269.db2.gz SUVVSMWHOYUEBB-KWQFWETISA-N -2 0 367.312 0.268 20 0 FCADRL Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001600290365 1286469691 /nfs/dbraw/zinc/46/96/91/1286469691.db2.gz UEAJHMWTFKJZEJ-GFCCVEGCSA-N -2 0 350.327 0.473 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)CO[C@@H](C)c2nccn2C)oc1C(=O)[O-] ZINC001600297236 1286471289 /nfs/dbraw/zinc/47/12/89/1286471289.db2.gz LMUBASBMMQCYRN-VIFPVBQESA-N -2 0 371.371 0.602 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)Oc2ccc(F)nc2-c2nnn[n-]2)c[n-]1 ZINC001609302926 1289077221 /nfs/dbraw/zinc/07/72/21/1289077221.db2.gz QAHBQNGEMGADSV-UHFFFAOYSA-N -2 0 368.306 0.283 20 0 FCADRL Cc1cc(S(C)(=O)=O)cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c1C ZINC001600302965 1286473840 /nfs/dbraw/zinc/47/38/40/1286473840.db2.gz LUOQZJMJSJMQRQ-VIFPVBQESA-N -2 0 363.413 0.240 20 0 FCADRL Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)c3scnc3C(=O)[O-])c2n1 ZINC001600597056 1286512005 /nfs/dbraw/zinc/51/20/05/1286512005.db2.gz WGGIRILDNQNNHU-UHFFFAOYSA-N -2 0 367.368 0.311 20 0 FCADRL Cc1csc(C(=O)[O-])c1NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001600650833 1286519096 /nfs/dbraw/zinc/51/90/96/1286519096.db2.gz RSJMXDQPQYLCHV-ANRSDYALSA-N -2 0 368.367 0.253 20 0 FCADRL Cc1nc(CNS(=O)(=O)c2cccc(F)c2C(=O)[O-])sc1C(N)=O ZINC001600701985 1286529279 /nfs/dbraw/zinc/52/92/79/1286529279.db2.gz UIKLHBUXVCELMZ-UHFFFAOYSA-N -2 0 373.387 0.866 20 0 FCADRL Cc1ncsc1/C=C/C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001600761096 1286540080 /nfs/dbraw/zinc/54/00/80/1286540080.db2.gz UAXUOSNWKCEMSV-NSCUHMNNSA-N -2 0 359.429 0.622 20 0 FCADRL Cc1nn(C)c2ncc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])cc12 ZINC001600775963 1286541936 /nfs/dbraw/zinc/54/19/36/1286541936.db2.gz MOHATOZVTFIGPW-APPZFPTMSA-N -2 0 354.388 0.446 20 0 FCADRL Cc1nn(C)cc1CCC(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001600779089 1286543109 /nfs/dbraw/zinc/54/31/09/1286543109.db2.gz WHOWLOKANIYBOC-UHFFFAOYSA-N -2 0 366.399 0.832 20 0 FCADRL Cc1nc(-c2ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])cc2)n[nH]1 ZINC001600790880 1286545932 /nfs/dbraw/zinc/54/59/32/1286545932.db2.gz WRFZYYHAYCELHN-DTWKUNHWSA-N -2 0 366.399 0.949 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@H](C)N(C)CC(F)(F)F ZINC001600834418 1286553395 /nfs/dbraw/zinc/55/33/95/1286553395.db2.gz PNMZPDHLZXOXPE-LURJTMIESA-N -2 0 372.321 0.974 20 0 FCADRL Cc1oc(CN(C)C(=O)C(=O)NCCC(C)(C)C(=O)[O-])cc1C(=O)[O-] ZINC001600840985 1286555009 /nfs/dbraw/zinc/55/50/09/1286555009.db2.gz ZHOWULGCKHPSTR-UHFFFAOYSA-N -2 0 354.359 0.862 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]C(=O)Cn2cc(C(=O)[O-])c3ccccc32)cn1 ZINC001600967738 1286584093 /nfs/dbraw/zinc/58/40/93/1286584093.db2.gz MFGQTBFIULOGBY-UHFFFAOYSA-N -2 0 362.367 0.578 20 0 FCADRL Cn1cc(S(=O)(=O)NC[C@H](Cc2cccnc2)C(=O)[O-])cc1C(=O)[O-] ZINC001600968800 1286585349 /nfs/dbraw/zinc/58/53/49/1286585349.db2.gz BSEXPTSWRAWBSW-NSHDSACASA-N -2 0 367.383 0.340 20 0 FCADRL Cn1ncc2cc(S(=O)(=O)[N-]C(=O)c3ccc(C(=O)[O-])cc3)cnc21 ZINC001601032209 1286609982 /nfs/dbraw/zinc/60/99/82/1286609982.db2.gz SNGMIPYBIKGPTE-UHFFFAOYSA-N -2 0 360.351 0.785 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)NCc2ccc(C(=O)[O-])s2)c1 ZINC001601200096 1286695588 /nfs/dbraw/zinc/69/55/88/1286695588.db2.gz SSFGHNQTAAVNPV-UHFFFAOYSA-N -2 0 356.381 0.729 20 0 FCADRL O=C(CCOC[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001601281255 1286711872 /nfs/dbraw/zinc/71/18/72/1286711872.db2.gz ISPLRJSEKAZUID-SECBINFHSA-N -2 0 363.413 0.837 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)CCOCc2ccccc2)CC1 ZINC001601281670 1286712195 /nfs/dbraw/zinc/71/21/95/1286712195.db2.gz UNDVITMPSJQBGV-UHFFFAOYSA-N -2 0 370.427 0.751 20 0 FCADRL O=C([O-])[C@@H]1C[C@H](NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)[C@H]2C[C@H]21 ZINC001601327011 1286729153 /nfs/dbraw/zinc/72/91/53/1286729153.db2.gz DREIKUPJMWGZKP-SREGZZRCSA-N -2 0 374.365 0.469 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)COCc1ccccn1 ZINC001601338521 1286731295 /nfs/dbraw/zinc/73/12/95/1286731295.db2.gz OJTWDBYJQWWVFE-UHFFFAOYSA-N -2 0 356.381 0.863 20 0 FCADRL O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001601407733 1286741176 /nfs/dbraw/zinc/74/11/76/1286741176.db2.gz ZSVBUZAVBGDHCL-MRVPVSSYSA-N -2 0 360.248 0.402 20 0 FCADRL O=C([O-])c1ccc(CNC(=O)C(=O)N2CCSC[C@H](C(=O)[O-])C2)cc1 ZINC001601532858 1286780500 /nfs/dbraw/zinc/78/05/00/1286780500.db2.gz OZKSAEDTZIIXQN-GFCCVEGCSA-N -2 0 366.395 0.277 20 0 FCADRL O=C([O-])c1nc(CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)ccc1Cl ZINC001601538506 1286780798 /nfs/dbraw/zinc/78/07/98/1286780798.db2.gz YNIUKVMTWIUKHL-UHFFFAOYSA-N -2 0 369.761 0.421 20 0 FCADRL O=C([O-])c1nc(CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)ccc1Cl ZINC001601540229 1286781963 /nfs/dbraw/zinc/78/19/63/1286781963.db2.gz WLMUARQFWAMQHZ-JGVFFNPUSA-N -2 0 369.761 0.419 20 0 FCADRL O=C([O-])[C@@H](O)[C@@H]1CCCN(S(=O)(=O)CC2(C(=O)[O-])CCCCC2)C1 ZINC001601681919 1286806839 /nfs/dbraw/zinc/80/68/39/1286806839.db2.gz VVKJPOGBEMSFFP-NEPJUHHUSA-N -2 0 363.432 0.509 20 0 FCADRL O=C([O-])[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC001601803976 1286838098 /nfs/dbraw/zinc/83/80/98/1286838098.db2.gz IQGIHERHPFKGEZ-IUCAKERBSA-N -2 0 365.358 0.844 20 0 FCADRL O=C([O-])[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H]2CCCC[C@H]12 ZINC001601822327 1286842508 /nfs/dbraw/zinc/84/25/08/1286842508.db2.gz AHJHPFYVYCOIFH-UTUOFQBUSA-N -2 0 352.391 0.961 20 0 FCADRL O=C([O-])[C@@H]1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)[C@H]([C@@H]2CCCO2)C1 ZINC001601821350 1286843173 /nfs/dbraw/zinc/84/31/73/1286843173.db2.gz NHIPJGHBSXZYSS-UTLUCORTSA-N -2 0 356.404 0.473 20 0 FCADRL O=C([O-])[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccc(F)cc1 ZINC001601830858 1286845382 /nfs/dbraw/zinc/84/53/82/1286845382.db2.gz ZZNRZEJLBXJASW-LBPRGKRZSA-N -2 0 360.363 0.582 20 0 FCADRL O=C([O-])[C@H]1Cc2ccc(O)cc2CN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001601867248 1286858833 /nfs/dbraw/zinc/85/88/33/1286858833.db2.gz VQWMKDBURRZHMJ-SNVBAGLBSA-N -2 0 350.356 0.346 20 0 FCADRL O=C([O-])CCN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)CC1 ZINC001602013086 1286897946 /nfs/dbraw/zinc/89/79/46/1286897946.db2.gz PACWNEMWRGJBKE-UHFFFAOYSA-N -2 0 360.363 0.305 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC001602028535 1286908315 /nfs/dbraw/zinc/90/83/15/1286908315.db2.gz TUYUJFITLXWYDS-UHFFFAOYSA-N -2 0 371.367 0.341 20 0 FCADRL O=C([O-])CCOc1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC001602027853 1286908493 /nfs/dbraw/zinc/90/84/93/1286908493.db2.gz VBJXSJDLFMIHJV-LBPRGKRZSA-N -2 0 359.356 0.014 20 0 FCADRL O=C([O-])CCOc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC001602027852 1286908608 /nfs/dbraw/zinc/90/86/08/1286908608.db2.gz VBJXSJDLFMIHJV-GFCCVEGCSA-N -2 0 359.356 0.014 20 0 FCADRL O=C([O-])CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001602057927 1286914202 /nfs/dbraw/zinc/91/42/02/1286914202.db2.gz BYUUUGRPLLCOES-UHFFFAOYSA-N -2 0 374.275 0.822 20 0 FCADRL O=C([O-])CNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC001602075964 1286928838 /nfs/dbraw/zinc/92/88/38/1286928838.db2.gz WIBQUQCKKUDUAH-ZJUUUORDSA-N -2 0 370.383 0.489 20 0 FCADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]N2Cc3ccccc3C2=O)cc1 ZINC001602089555 1286931588 /nfs/dbraw/zinc/93/15/88/1286931588.db2.gz UZSWBMOLWJVIDG-UHFFFAOYSA-N -2 0 362.363 0.999 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])s1 ZINC001602132162 1286943770 /nfs/dbraw/zinc/94/37/70/1286943770.db2.gz VACHAKVFCNXSFS-VIFPVBQESA-N -2 0 359.385 0.073 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])s1 ZINC001602132160 1286943997 /nfs/dbraw/zinc/94/39/97/1286943997.db2.gz VACHAKVFCNXSFS-SECBINFHSA-N -2 0 359.385 0.073 20 0 FCADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2cccc3c2OCCCO3)cn1 ZINC001602163530 1286952625 /nfs/dbraw/zinc/95/26/25/1286952625.db2.gz GDGYGQWFBGLNLY-UHFFFAOYSA-N -2 0 353.356 0.930 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nn2)cn1 ZINC001602164856 1286955043 /nfs/dbraw/zinc/95/50/43/1286955043.db2.gz MZPCFLBSOUDYTJ-UHFFFAOYSA-N -2 0 351.266 0.577 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H](c2nnn[n-]2)c2ccc(Cl)c(F)c2)O1 ZINC001602176211 1286958554 /nfs/dbraw/zinc/95/85/54/1286958554.db2.gz WCDSEQHWDFEZDJ-VWYCJHECSA-N -2 0 369.740 0.830 20 0 FCADRL O=C([O-])[C@H]1CC(F)(F)CN1C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001602211314 1286969581 /nfs/dbraw/zinc/96/95/81/1286969581.db2.gz KQLZQKKOZBGWBA-SECBINFHSA-N -2 0 354.269 0.201 20 0 FCADRL O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC001602219345 1286970264 /nfs/dbraw/zinc/97/02/64/1286970264.db2.gz ZNLAAWFHNQHPLO-BXKDBHETSA-N -2 0 363.395 0.122 20 0 FCADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)c1F ZINC001602266643 1286977683 /nfs/dbraw/zinc/97/76/83/1286977683.db2.gz KUEJZGXGGZNHBW-LBPRGKRZSA-N -2 0 367.738 0.699 20 0 FCADRL O=C([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001602268087 1286977986 /nfs/dbraw/zinc/97/79/86/1286977986.db2.gz SBHSNBTUGRDIOM-SNVBAGLBSA-N -2 0 373.774 0.736 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@]3(CCOC3)C2)ccc1F ZINC001602288808 1286981041 /nfs/dbraw/zinc/98/10/41/1286981041.db2.gz JYHXPMBMGLAXGV-IAQYHMDHSA-N -2 0 373.358 0.636 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])ccc1Cl ZINC001602292898 1286983334 /nfs/dbraw/zinc/98/33/34/1286983334.db2.gz KHKFWXYHQLAKKO-NSHDSACASA-N -2 0 373.774 0.736 20 0 FCADRL O=C([O-])c1ccc(CCNS(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC001602333443 1286989285 /nfs/dbraw/zinc/98/92/85/1286989285.db2.gz BRWYPZAQBUUKJD-UHFFFAOYSA-N -2 0 356.400 0.558 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1 ZINC001602353629 1286990974 /nfs/dbraw/zinc/99/09/74/1286990974.db2.gz CRRQFVXSBZKSND-NWDGAFQWSA-N -3 0 371.367 0.322 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)c(F)c1 ZINC001602394447 1286993107 /nfs/dbraw/zinc/99/31/07/1286993107.db2.gz UVEMGKPSSDLATL-BXKDBHETSA-N -2 0 361.347 0.370 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@]3(CCOC3)C2)c1 ZINC001602439777 1287002011 /nfs/dbraw/zinc/00/20/11/1287002011.db2.gz JEGJDPTYDAKNLL-XJKSGUPXSA-N -2 0 369.395 0.638 20 0 FCADRL O=C([O-])c1ccccc1S(=O)(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001602474776 1287007385 /nfs/dbraw/zinc/00/73/85/1287007385.db2.gz IFLZWHMXMYNXQF-UHFFFAOYSA-N -2 0 361.339 0.867 20 0 FCADRL O=C([O-])c1ccnc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC001602484774 1287009503 /nfs/dbraw/zinc/00/95/03/1287009503.db2.gz KHCRLURUHZYLTP-SECBINFHSA-N -2 0 353.360 0.172 20 0 FCADRL O=C([O-])c1cn(-c2cccc(NC(=O)N3CCO[C@@H](C(=O)[O-])C3)c2)nn1 ZINC001602495085 1287012896 /nfs/dbraw/zinc/01/28/96/1287012896.db2.gz OSCRZXNAQJHUSG-GFCCVEGCSA-N -2 0 361.314 0.283 20 0 FCADRL O=C([O-])c1cn(CC[N-]S(=O)(=O)c2occc2Br)nn1 ZINC001602505630 1287017177 /nfs/dbraw/zinc/01/71/77/1287017177.db2.gz OLDOBXBBQLCQSM-UHFFFAOYSA-N -2 0 365.165 0.310 20 0 FCADRL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]c1ccn(-c2ncccc2F)n1 ZINC001602507129 1287018455 /nfs/dbraw/zinc/01/84/55/1287018455.db2.gz NIQRJNAGJKDOHL-UHFFFAOYSA-N -2 0 352.307 0.629 20 0 FCADRL O=C([O-])c1c[nH]nc1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CCCC2)C1 ZINC001602507965 1287020683 /nfs/dbraw/zinc/02/06/83/1287020683.db2.gz RWKHVRVWUJZWTA-WDEREUQCSA-N -2 0 357.388 0.619 20 0 FCADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2ccnn2C[C@H]2CCOC2)c1 ZINC001602543786 1287024540 /nfs/dbraw/zinc/02/45/40/1287024540.db2.gz SXVPGLJWPMMUNT-SNVBAGLBSA-N -2 0 352.372 0.814 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]C(=O)[C@H]2CCc3ncncc3C2)c1 ZINC001602556033 1287025769 /nfs/dbraw/zinc/02/57/69/1287025769.db2.gz CANKABSCCUEEOP-QMMMGPOBSA-N -2 0 351.340 0.378 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)c1cnn2ccncc12 ZINC001602583864 1287030785 /nfs/dbraw/zinc/03/07/85/1287030785.db2.gz SZKIVEDPEKAJHO-UHFFFAOYSA-N -2 0 353.341 0.003 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001602599116 1287033008 /nfs/dbraw/zinc/03/30/08/1287033008.db2.gz NVCGDLSOCZNDRE-SSDOTTSWSA-N -2 0 355.397 0.779 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccccc1 ZINC001602598365 1287033132 /nfs/dbraw/zinc/03/31/32/1287033132.db2.gz BJXFOBNTICVCAV-QWRGUYRKSA-N -2 0 371.392 0.911 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccccc1 ZINC001602598366 1287033227 /nfs/dbraw/zinc/03/32/27/1287033227.db2.gz BJXFOBNTICVCAV-WDEREUQCSA-N -2 0 371.392 0.911 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@H]1CCCCS1(=O)=O ZINC001602599370 1287033239 /nfs/dbraw/zinc/03/32/39/1287033239.db2.gz WGOCJGRNTUXCEZ-MRVPVSSYSA-N -2 0 367.426 0.219 20 0 FCADRL CC(=O)NCCN(CC(=O)Nc1cccc(C(=O)[O-])c1)[C@@H](C)C(=O)[O-] ZINC001603047828 1287196684 /nfs/dbraw/zinc/19/66/84/1287196684.db2.gz SHQGXQKBICGKSB-JTQLQIEISA-N -2 0 351.359 0.235 20 0 FCADRL CO[C@@H](CC(C)C)C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001605007015 1287833941 /nfs/dbraw/zinc/83/39/41/1287833941.db2.gz KKJYAJSPMJANOJ-NSHDSACASA-N -2 0 361.362 0.719 20 0 FCADRL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])ccn1 ZINC001605193778 1287906853 /nfs/dbraw/zinc/90/68/53/1287906853.db2.gz MHTMKUJAZRFBLZ-LLVKDONJSA-N -2 0 358.372 0.571 20 0 FCADRL C[S@](=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001605361435 1287939590 /nfs/dbraw/zinc/93/95/90/1287939590.db2.gz GYBKDJPDCMSWAA-QFIPXVFZSA-N -2 0 353.385 0.998 20 0 FCADRL CCOC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])C1 ZINC001605551355 1287997860 /nfs/dbraw/zinc/99/78/60/1287997860.db2.gz QNXPFAGRAGTNCI-MXWKQRLJSA-N -2 0 364.420 0.410 20 0 FCADRL CCO[C@@H]1C[C@@](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)(C(=O)[O-])C1(C)C ZINC001605610284 1288033023 /nfs/dbraw/zinc/03/30/23/1288033023.db2.gz KKBWTPULCYCFNY-QMTHXVAHSA-N -2 0 360.388 0.650 20 0 FCADRL CCOc1ccc(S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1C(=O)[O-] ZINC001605698474 1288052691 /nfs/dbraw/zinc/05/26/91/1288052691.db2.gz FUVMQOVCZICCBL-PJXYFTJBSA-N -2 0 355.368 0.735 20 0 FCADRL Cc1ccc([C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C(=O)[O-])cc1 ZINC001605828117 1288095810 /nfs/dbraw/zinc/09/58/10/1288095810.db2.gz KDJOLYBIRQDQIH-LBPRGKRZSA-N -2 0 363.355 0.872 20 0 FCADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])co1 ZINC001605865860 1288100081 /nfs/dbraw/zinc/10/00/81/1288100081.db2.gz WEIGYALLMBDQMD-UHFFFAOYSA-N -2 0 355.372 0.955 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N(C)C(C)(C)CC(=O)[O-])c1 ZINC001605980221 1288119333 /nfs/dbraw/zinc/11/93/33/1288119333.db2.gz OQALEKWWLVNEGC-UHFFFAOYSA-N -2 0 358.416 0.968 20 0 FCADRL CN1Cc2ccccc2[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1=O ZINC001606259963 1288239788 /nfs/dbraw/zinc/23/97/88/1288239788.db2.gz URMDQVQOIUOKTR-NSHDSACASA-N -2 0 367.408 0.833 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)cc1C(=O)[O-])c1ccn(C)n1 ZINC001606343399 1288265340 /nfs/dbraw/zinc/26/53/40/1288265340.db2.gz UWEZEAUDPSCTAM-CYBMUJFWSA-N -2 0 367.383 0.619 20 0 FCADRL COC(=O)Cc1cccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001606480222 1288340388 /nfs/dbraw/zinc/34/03/88/1288340388.db2.gz VJGVLLCUNIILEN-NXEZZACHSA-N -2 0 357.384 0.571 20 0 FCADRL COC(=O)N1CCC(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])CC1 ZINC001606489639 1288341654 /nfs/dbraw/zinc/34/16/54/1288341654.db2.gz CVSWZWXEZIABHT-DTWKUNHWSA-N -2 0 350.393 0.020 20 0 FCADRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)NCCC(=O)[O-] ZINC001606527998 1288364359 /nfs/dbraw/zinc/36/43/59/1288364359.db2.gz XKRLDYDLUXMZCD-UHFFFAOYSA-N -2 0 351.358 0.294 20 0 FCADRL COC(=O)c1cccc(CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC001606617121 1288410651 /nfs/dbraw/zinc/41/06/51/1288410651.db2.gz ZNDYGYPGTMOUOB-UWVGGRQHSA-N -2 0 357.384 0.571 20 0 FCADRL COC(=O)c1cncc(S(=O)(=O)[N-]c2ccn(C(C)(C)C(=O)[O-])n2)c1 ZINC001606629776 1288415100 /nfs/dbraw/zinc/41/51/00/1288415100.db2.gz RDKYMHNXIUNPAR-UHFFFAOYSA-N -2 0 368.371 0.685 20 0 FCADRL COCCOc1ccc(CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc1 ZINC001606913153 1288560390 /nfs/dbraw/zinc/56/03/90/1288560390.db2.gz CGVGUPWBIDFVAQ-UHFFFAOYSA-N -2 0 373.427 0.811 20 0 FCADRL CON(C)C(=O)c1ccc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])cc1 ZINC001606989789 1288582429 /nfs/dbraw/zinc/58/24/29/1288582429.db2.gz RTMQYXPUBCOZHD-UHFFFAOYSA-N -2 0 353.331 0.171 20 0 FCADRL COc1cc(OC)nc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)n1 ZINC001607186222 1288680371 /nfs/dbraw/zinc/68/03/71/1288680371.db2.gz QXYHUOWSOZQRFM-UHFFFAOYSA-N -2 0 354.344 0.696 20 0 FCADRL COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC001607208456 1288685966 /nfs/dbraw/zinc/68/59/66/1288685966.db2.gz QZRBQALDXZRDBQ-DTWKUNHWSA-N -2 0 350.327 0.701 20 0 FCADRL C[C@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001607453358 1288710752 /nfs/dbraw/zinc/71/07/52/1288710752.db2.gz GPTWWZHCXKJDQF-SCSAIBSYSA-N -2 0 356.150 0.882 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])nnn1Cc1ccc(F)cc1 ZINC001607509126 1288721513 /nfs/dbraw/zinc/72/15/13/1288721513.db2.gz REZCKFJIAWZIJC-SECBINFHSA-N -2 0 370.362 0.307 20 0 FCADRL Cc1cc(NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001607670232 1288731830 /nfs/dbraw/zinc/73/18/30/1288731830.db2.gz IZLDVYXEOZTTPO-SKDRFNHKSA-N -2 0 350.327 0.332 20 0 FCADRL Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001607701369 1288734382 /nfs/dbraw/zinc/73/43/82/1288734382.db2.gz FNJTZAVRLPEKFE-UHFFFAOYSA-N -2 0 364.354 0.720 20 0 FCADRL Cc1cn2ccnc(C(=O)[N-]S(=O)(=O)Cc3ccc(C(=O)[O-])cc3)c2n1 ZINC001607902659 1288745285 /nfs/dbraw/zinc/74/52/85/1288745285.db2.gz AHWWPPNNRHGRFZ-UHFFFAOYSA-N -2 0 374.378 0.996 20 0 FCADRL Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)c3c[nH]c(C(=O)[O-])c3)cc12 ZINC001608002473 1288757924 /nfs/dbraw/zinc/75/79/24/1288757924.db2.gz GPYYLKLEJBLAJW-UHFFFAOYSA-N -2 0 363.355 0.422 20 0 FCADRL Cn1cc([C@@H](NS(=O)(=O)CC2(C(=O)[O-])CCCCC2)C(=O)[O-])cn1 ZINC001608105593 1288768448 /nfs/dbraw/zinc/76/84/48/1288768448.db2.gz GQNIGWPFDLNGQM-LLVKDONJSA-N -2 0 359.404 0.500 20 0 FCADRL Cn1cc(S(=O)(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1C(=O)[O-] ZINC001608120274 1288774094 /nfs/dbraw/zinc/77/40/94/1288774094.db2.gz GADBUNXKHQPMHL-NSHDSACASA-N -2 0 370.305 0.751 20 0 FCADRL Cn1nccc1CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001608166130 1288785305 /nfs/dbraw/zinc/78/53/05/1288785305.db2.gz XGVJSNBJGVYDDM-UHFFFAOYSA-N -2 0 357.775 0.819 20 0 FCADRL Cn1nnc2c1C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)CC2 ZINC001608168527 1288786127 /nfs/dbraw/zinc/78/61/27/1288786127.db2.gz YANVSKGJCRMEGT-SSDOTTSWSA-N -2 0 370.412 0.185 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCS(=O)(=O)C2)c1 ZINC001608297816 1288814695 /nfs/dbraw/zinc/81/46/95/1288814695.db2.gz VPCSOYXETKWRAY-VIFPVBQESA-N -2 0 361.397 0.015 20 0 FCADRL O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001608305990 1288817019 /nfs/dbraw/zinc/81/70/19/1288817019.db2.gz GAFTWYOOPQZEKC-CYBMUJFWSA-N -2 0 362.342 0.347 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)Oc2cccc(C(=O)NC3CC3)c2)[n-]n1 ZINC001608407843 1288836621 /nfs/dbraw/zinc/83/66/21/1288836621.db2.gz PRAXBKYMLNVJLX-UHFFFAOYSA-N -2 0 351.340 0.768 20 0 FCADRL O=C([O-])C1CC2(C1)C[C@@H](NC(=O)c1c[n-]n3c1nccc3=O)CCS2 ZINC001608414020 1288839176 /nfs/dbraw/zinc/83/91/76/1288839176.db2.gz OAXWIAXKXWKWKV-MAXPVNGDSA-N -2 0 362.411 0.881 20 0 FCADRL O=C([O-])[C@@H](CNC(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)C1CCC1 ZINC001608420591 1288840926 /nfs/dbraw/zinc/84/09/26/1288840926.db2.gz SPBSQTVXOPQWPL-RYUDHWBXSA-N -2 0 352.387 0.317 20 0 FCADRL O=C([O-])c1cc(C(=O)[N-]S(=O)(=O)CCc2ccc3c(c2)CCO3)c[nH]1 ZINC001608484430 1288848398 /nfs/dbraw/zinc/84/83/98/1288848398.db2.gz LNJIOJZKVXXZDI-UHFFFAOYSA-N -2 0 364.379 0.950 20 0 FCADRL O=C([O-])c1cc(N2CCOCC2)ccc1NC(=O)C(=O)[N-]OCC1CC1 ZINC001608483962 1288848689 /nfs/dbraw/zinc/84/86/89/1288848689.db2.gz AFZUEXXUOFQIEI-UHFFFAOYSA-N -2 0 363.370 0.618 20 0 FCADRL O=C([O-])[C@@H](CNS(=O)(=O)CC1(C(=O)[O-])CCCC1)Cc1ccccn1 ZINC001608538304 1288855158 /nfs/dbraw/zinc/85/51/58/1288855158.db2.gz ISPBXWMMZJTBLS-GFCCVEGCSA-N -2 0 370.427 0.889 20 0 FCADRL O=C([O-])CCN(CC(=O)[O-])CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC001608720905 1288869143 /nfs/dbraw/zinc/86/91/43/1288869143.db2.gz LQOFOMNXHYFPBE-UHFFFAOYSA-N -2 0 369.443 0.254 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@H]1CCN(c2ccccc2F)C1 ZINC001608717859 1288869590 /nfs/dbraw/zinc/86/95/90/1288869590.db2.gz DUUVEYULINQWCZ-NSHDSACASA-N -2 0 358.391 0.963 20 0 FCADRL O=C([O-])CCN(Cc1ccccn1)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001608722473 1288870926 /nfs/dbraw/zinc/87/09/26/1288870926.db2.gz HYESNIGWRPXGKC-UHFFFAOYSA-N -2 0 356.400 0.943 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)Cc1ccccc1O[C@H]1CCOC1 ZINC001608733077 1288871932 /nfs/dbraw/zinc/87/19/32/1288871932.db2.gz ZYCAZYZUHRNYGU-LBPRGKRZSA-N -2 0 357.384 0.318 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@@H](CC2CC2)C(=O)[O-])cc2c1OCCO2 ZINC001608859678 1288876054 /nfs/dbraw/zinc/87/60/54/1288876054.db2.gz DJQUWASQKSQEDP-NSHDSACASA-N -2 0 371.367 0.688 20 0 FCADRL C[C@H](C(=O)[N-]S(=O)(=O)CC1CCCCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609070000 1288900324 /nfs/dbraw/zinc/90/03/24/1288900324.db2.gz IKMUMNRXQRVEKD-SECBINFHSA-N -2 0 368.423 0.046 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001609125529 1288932350 /nfs/dbraw/zinc/93/23/50/1288932350.db2.gz DLFOKEUXMRZZMZ-RITPCOANSA-N -2 0 361.330 0.532 20 0 FCADRL O=C([O-])[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)c1cccs1 ZINC001609571272 1289232994 /nfs/dbraw/zinc/23/29/94/1289232994.db2.gz ACKXPHAEOHNLKP-SECBINFHSA-N -2 0 355.357 0.625 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)CC1(F)F ZINC001609571664 1289233760 /nfs/dbraw/zinc/23/37/60/1289233760.db2.gz PVFOSGJYMKHFCY-LURJTMIESA-N -2 0 363.302 0.190 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)COc1cc(F)cc(F)c1 ZINC001609638456 1289270028 /nfs/dbraw/zinc/27/00/28/1289270028.db2.gz GIWPMQSGLSPOLM-SFYZADRCSA-N -2 0 351.327 0.899 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(F)cc1 ZINC001609638959 1289270636 /nfs/dbraw/zinc/27/06/36/1289270636.db2.gz OSEGZDUOCKLYPT-UWVGGRQHSA-N -2 0 374.390 0.501 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)CCC1CCCC1 ZINC001609639497 1289270943 /nfs/dbraw/zinc/27/09/43/1289270943.db2.gz YPPMUMSPUHNFSA-MNOVXSKESA-N -2 0 362.448 0.628 20 0 FCADRL CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1 ZINC001609667737 1289278103 /nfs/dbraw/zinc/27/81/03/1289278103.db2.gz ZWBJZSTWCPDSSH-AOOOYVTPSA-N -2 0 364.420 0.601 20 0 FCADRL C[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001609763560 1289294107 /nfs/dbraw/zinc/29/41/07/1289294107.db2.gz PWZSMIAQAUMRCM-YPMHNXCESA-N -2 0 369.381 0.519 20 0 FCADRL C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)C[C@@H]1C(=O)[O-] ZINC001609855517 1289312906 /nfs/dbraw/zinc/31/29/06/1289312906.db2.gz NDXBISYDRCDRSM-AGIUHOORSA-N -2 0 368.430 0.905 20 0 FCADRL CCC(CC)(C(=O)[O-])C(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001609915064 1289327147 /nfs/dbraw/zinc/32/71/47/1289327147.db2.gz ZJVNTGZTQPPVJU-UHFFFAOYSA-N -2 0 350.331 0.075 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)C1=O ZINC001609942159 1289331358 /nfs/dbraw/zinc/33/13/58/1289331358.db2.gz TZIKPSUGRMWKRZ-CQSZACIVSA-N -2 0 373.362 0.367 20 0 FCADRL CCOCC(=O)[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001610036672 1289354770 /nfs/dbraw/zinc/35/47/70/1289354770.db2.gz ZUTJOEKALMVIIO-UHFFFAOYSA-N -2 0 366.189 0.989 20 0 FCADRL CCc1ccccc1N1C[C@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])CC1=O ZINC001610069852 1289362482 /nfs/dbraw/zinc/36/24/82/1289362482.db2.gz FCARPKWRSZXPAW-GFCCVEGCSA-N -2 0 368.411 0.523 20 0 FCADRL CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001610073769 1289364449 /nfs/dbraw/zinc/36/44/49/1289364449.db2.gz JNEKLAIUXOPZIC-UHFFFAOYSA-N -2 0 352.372 0.767 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)c1ccnn1C ZINC001610158762 1289401928 /nfs/dbraw/zinc/40/19/28/1289401928.db2.gz XLMDNCGVOMECPD-LBPRGKRZSA-N -2 0 371.346 0.450 20 0 FCADRL COC(=O)c1[nH]cc(C(=O)[O-])c1[N-]S(=O)(=O)CCOCC(F)(F)F ZINC001610194413 1289420777 /nfs/dbraw/zinc/42/07/77/1289420777.db2.gz RPRZCLJGENPUOM-UHFFFAOYSA-N -2 0 374.293 0.820 20 0 FCADRL COCCOc1ccc(CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC001610262823 1289442824 /nfs/dbraw/zinc/44/28/24/1289442824.db2.gz PJLBJGKXEXHEQA-NEPJUHHUSA-N -2 0 373.427 0.810 20 0 FCADRL COCCOc1ccc(CC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])cc1 ZINC001610262825 1289443340 /nfs/dbraw/zinc/44/33/40/1289443340.db2.gz PJLBJGKXEXHEQA-NWDGAFQWSA-N -2 0 373.427 0.810 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-] ZINC001610316983 1289458859 /nfs/dbraw/zinc/45/88/59/1289458859.db2.gz PDIKZMUVSGIJEZ-VIFPVBQESA-N -2 0 361.372 0.240 20 0 FCADRL COc1ccc(CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])cc1C(=O)[O-] ZINC001610332313 1289460959 /nfs/dbraw/zinc/46/09/59/1289460959.db2.gz DKKZOSZNEMAGRK-SECBINFHSA-N -2 0 352.343 0.189 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)c2cnc(C(=O)[O-])cn2)c(C)c1 ZINC001610346212 1289466396 /nfs/dbraw/zinc/46/63/96/1289466396.db2.gz NWKWQFPTAMWCAL-UHFFFAOYSA-N -2 0 351.340 0.611 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N[C@H](C(=O)[O-])c2ccn(C)n2)c1 ZINC001610360357 1289469799 /nfs/dbraw/zinc/46/97/99/1289469799.db2.gz UYWHNXVMNHOUKC-LFPIHBKWSA-N -2 0 351.384 0.478 20 0 FCADRL COc1ncnc(N(C)C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001610372020 1289472259 /nfs/dbraw/zinc/47/22/59/1289472259.db2.gz DWBGOVWDNYQESK-UHFFFAOYSA-N -2 0 356.360 0.952 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001610378942 1289475693 /nfs/dbraw/zinc/47/56/93/1289475693.db2.gz MLSDFFSAFABFNC-UHFFFAOYSA-N -2 0 373.364 0.500 20 0 FCADRL CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001610381936 1289476963 /nfs/dbraw/zinc/47/69/63/1289476963.db2.gz GGLCFHCSGXDUCS-QMMMGPOBSA-N -2 0 370.449 0.163 20 0 FCADRL Cc1c([C@@H](NS(=O)(=O)CC2(C(=O)[O-])CCCC2)C(=O)[O-])cnn1C ZINC001610411091 1289482105 /nfs/dbraw/zinc/48/21/05/1289482105.db2.gz MJWXIXJVRIJWHB-LLVKDONJSA-N -2 0 359.404 0.419 20 0 FCADRL Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)[N-]OCCCC(=O)[O-] ZINC001610435094 1289487470 /nfs/dbraw/zinc/48/74/70/1289487470.db2.gz NOPMHFDIIBRADD-UHFFFAOYSA-N -2 0 365.386 0.984 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)c(C(=O)[O-])[nH]1 ZINC001610474453 1289492018 /nfs/dbraw/zinc/49/20/18/1289492018.db2.gz FSKHMAITIFNAIX-UHFFFAOYSA-N -2 0 359.385 0.621 20 0 FCADRL Cc1cc(F)c(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)cc1C(=O)[O-] ZINC001610471769 1289492149 /nfs/dbraw/zinc/49/21/49/1289492149.db2.gz ZBXXBXBHSVLENM-LBPRGKRZSA-N -2 0 371.346 0.670 20 0 FCADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC(OCC(=O)[O-])CC1 ZINC001610489900 1289495117 /nfs/dbraw/zinc/49/51/17/1289495117.db2.gz OEFACQJUWSQVSK-UHFFFAOYSA-N -2 0 357.384 0.948 20 0 FCADRL Cc1cccc(-n2cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])nn2)c1 ZINC001610518224 1289499583 /nfs/dbraw/zinc/49/95/83/1289499583.db2.gz AURFPVCMULIVIE-QWRGUYRKSA-N -2 0 366.399 0.745 20 0 FCADRL Cc1cnn(C[C@@H](NS(=O)(=O)c2cccc(F)c2C(=O)[O-])C(=O)[O-])c1 ZINC001610541209 1289504743 /nfs/dbraw/zinc/50/47/43/1289504743.db2.gz AIJKGHNCLBKEBW-SNVBAGLBSA-N -2 0 371.346 0.461 20 0 FCADRL Cc1nn(C)c(C)c1C[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001610568915 1289513710 /nfs/dbraw/zinc/51/37/10/1289513710.db2.gz ONZLNCKQRJHEMV-SBMIAAHKSA-N -2 0 359.448 0.771 20 0 FCADRL NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccs1 ZINC001610647955 1289541775 /nfs/dbraw/zinc/54/17/75/1289541775.db2.gz XYGKOAFKGKUFRQ-UHFFFAOYSA-N -2 0 362.410 0.895 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)C[C@@H]2CCC(F)(F)C2)CC1 ZINC001610652500 1289542782 /nfs/dbraw/zinc/54/27/82/1289542782.db2.gz VXZGZXUZRGMVSU-VIFPVBQESA-N -2 0 354.375 0.970 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)COc1ccc(F)cc1 ZINC001610671040 1289548790 /nfs/dbraw/zinc/54/87/90/1289548790.db2.gz DKFVZHYCDYNQEX-UHFFFAOYSA-N -2 0 360.344 0.864 20 0 FCADRL O=C([O-])[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC001610723310 1289567917 /nfs/dbraw/zinc/56/79/17/1289567917.db2.gz QQDJTWQLWZUJFD-LLVKDONJSA-N -2 0 365.777 0.747 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1F ZINC001610793840 1289595673 /nfs/dbraw/zinc/59/56/73/1289595673.db2.gz UGLWOWMIHWRMPN-XXILOJSOSA-N -2 0 369.370 0.873 20 0 FCADRL O=C([O-])Cc1nnc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)[nH]1 ZINC001610798972 1289597401 /nfs/dbraw/zinc/59/74/01/1289597401.db2.gz UPWIUSDYIBLAHN-UHFFFAOYSA-N -2 0 360.355 0.690 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@]3(CCOC3)C2)cs1 ZINC001610816243 1289601400 /nfs/dbraw/zinc/60/14/00/1289601400.db2.gz ZAAUQGRFGIWUIZ-ZANVPECISA-N -2 0 361.397 0.558 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)cn1 ZINC001610837945 1289603860 /nfs/dbraw/zinc/60/38/60/1289603860.db2.gz HMVNFWILSZMQHT-HTQZYQBOSA-N -2 0 350.299 0.366 20 0 FCADRL O=C([O-])c1ccccc1CS(=O)(=O)N[C@H](C[C@H]1CCOC1)C(=O)[O-] ZINC001610854215 1289606420 /nfs/dbraw/zinc/60/64/20/1289606420.db2.gz SJOZZSJNQLEKFC-ZWNOBZJWSA-N -2 0 357.384 0.684 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)NC[C@H](Cc1cccnc1)C(=O)[O-] ZINC001610871338 1289613577 /nfs/dbraw/zinc/61/35/77/1289613577.db2.gz HQIZRFVXBRUNBS-VIFPVBQESA-N -2 0 371.396 0.458 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001610871340 1289614458 /nfs/dbraw/zinc/61/44/58/1289614458.db2.gz HQNYZTPJPPPDGI-QMMMGPOBSA-N -2 0 373.412 0.047 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001610876293 1289615158 /nfs/dbraw/zinc/61/51/58/1289615158.db2.gz JJABEMFYQTUHNU-SSDOTTSWSA-N -2 0 358.401 0.838 20 0 FCADRL O=C([O-])c1nscc1S(=O)(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001610873700 1289616067 /nfs/dbraw/zinc/61/60/67/1289616067.db2.gz ZCWAAOLBJRTPSU-SECBINFHSA-N -2 0 356.381 0.988 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)c1cccn2c(=O)[nH]nc12 ZINC001610876646 1289616380 /nfs/dbraw/zinc/61/63/80/1289616380.db2.gz MCIPNBZQTIFKLA-UHFFFAOYSA-N -2 0 368.352 0.313 20 0 FCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC001610887650 1289619356 /nfs/dbraw/zinc/61/93/56/1289619356.db2.gz ZSMPTXRSABMLHC-UHFFFAOYSA-N -2 0 374.758 0.341 20 0 FCADRL C[C@@H](CN(C)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)c1nnn[n-]1 ZINC001138058144 849295704 /nfs/dbraw/zinc/29/57/04/849295704.db2.gz UMZISFMWGCBUFX-QMMMGPOBSA-N -2 0 374.373 0.018 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cn2c(Br)ccc2cn1 ZINC001157248479 849956451 /nfs/dbraw/zinc/95/64/51/849956451.db2.gz QOFBTNZVDNVFDV-UHFFFAOYSA-N -2 0 364.092 0.936 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1ccc2[nH]c3c(c2c1)CCNC3=O ZINC001157282915 849959672 /nfs/dbraw/zinc/95/96/72/849959672.db2.gz VSUSOBWQTAYLEW-UHFFFAOYSA-N -2 0 353.271 0.293 20 0 FCADRL COC(=O)[C@H](CCc1cn(C)cn1)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180180612 851017604 /nfs/dbraw/zinc/01/76/04/851017604.db2.gz SQKMQJJIAPOEKT-QMMMGPOBSA-N -2 0 369.271 0.366 20 0 FCADRL O=C(C[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1)NCS(=O)(=O)[O-] ZINC001181017960 851084828 /nfs/dbraw/zinc/08/48/28/851084828.db2.gz PAHBREKXOMZUNE-SECBINFHSA-N -2 0 354.306 0.758 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cncc(C(N)=O)c2)cc1C(=O)[O-] ZINC001185269695 851347904 /nfs/dbraw/zinc/34/79/04/851347904.db2.gz RZFYFHGEHGYHSB-UHFFFAOYSA-N -2 0 351.340 0.688 20 0 FCADRL COC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185272086 851348139 /nfs/dbraw/zinc/34/81/39/851348139.db2.gz XICYRCKBQJITBP-UHFFFAOYSA-N -2 0 367.339 0.771 20 0 FCADRL CNC(=O)c1nccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185879368 851394100 /nfs/dbraw/zinc/39/41/00/851394100.db2.gz OGHJRVUFGRPESB-UHFFFAOYSA-N -2 0 350.356 0.644 20 0 FCADRL COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185923921 851399541 /nfs/dbraw/zinc/39/95/41/851399541.db2.gz OLYNPMIKSXETAM-JTQLQIEISA-N -2 0 359.356 0.378 20 0 FCADRL Cn1cnc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c2ncnc1-2 ZINC001186133612 851414641 /nfs/dbraw/zinc/41/46/41/851414641.db2.gz RNQRMNLJGHSDGV-UHFFFAOYSA-N -2 0 351.319 0.953 20 0 FCADRL CCc1c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(C(N)=O)nn1C ZINC001186153619 851415499 /nfs/dbraw/zinc/41/54/99/851415499.db2.gz ZTGVTAQRQJJOFX-UHFFFAOYSA-N -2 0 370.362 0.720 20 0 FCADRL CCS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)CCC(=O)OC)c1 ZINC001188344197 851672268 /nfs/dbraw/zinc/67/22/68/851672268.db2.gz YBRKIWHZKZZAMG-UHFFFAOYSA-N -2 0 351.402 0.491 20 0 FCADRL CSc1ncc(Br)c(C(=O)NCCOP(=O)([O-])[O-])n1 ZINC001188456978 851693420 /nfs/dbraw/zinc/69/34/20/851693420.db2.gz RJFYPVMPIHZPFQ-UHFFFAOYSA-N -2 0 372.137 0.800 20 0 FCADRL COc1nccc(N)c1NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189914850 851841362 /nfs/dbraw/zinc/84/13/62/851841362.db2.gz OCCLRNORIFPENP-UHFFFAOYSA-N -2 0 367.339 0.870 20 0 FCADRL C[C@@H](NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1)c1cnn(C)c1 ZINC001189933863 851845338 /nfs/dbraw/zinc/84/53/38/851845338.db2.gz NYMRJJZSBFBGBQ-MRVPVSSYSA-N -2 0 353.356 0.856 20 0 FCADRL COC(=O)[C@H]1CC[C@@H](NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)C1 ZINC001189934388 851845467 /nfs/dbraw/zinc/84/54/67/851845467.db2.gz SZIVSQZKNPKKGP-GZMMTYOYSA-N -2 0 371.367 0.703 20 0 FCADRL O=C([O-])c1cc(C(=O)NCc2cc[nH]c(=O)c2)cc(S(=O)(=O)[O-])c1 ZINC001189932968 851845786 /nfs/dbraw/zinc/84/57/86/851845786.db2.gz FDMQGJGVTBBYTO-UHFFFAOYSA-N -2 0 352.324 0.662 20 0 FCADRL CN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)c1ccccc1OP(=O)([O-])[O-])C2 ZINC001278366608 862306245 /nfs/dbraw/zinc/30/62/45/862306245.db2.gz OEBATPUFQRRCAF-MEBBXXQBSA-N -2 0 354.299 0.708 20 0 FCADRL COC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192685827 852275978 /nfs/dbraw/zinc/27/59/78/852275978.db2.gz TYENMVDCLIUETE-UHFFFAOYSA-N -2 0 369.355 0.471 20 0 FCADRL NC(=O)c1ncsc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192686045 852276488 /nfs/dbraw/zinc/27/64/88/852276488.db2.gz KWWMJRHXCMIBMD-UHFFFAOYSA-N -2 0 357.369 0.506 20 0 FCADRL CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1[O-] ZINC001193057935 852347890 /nfs/dbraw/zinc/34/78/90/852347890.db2.gz DATLRPCEIAQZBJ-UHFFFAOYSA-N -2 0 365.429 0.879 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC001193262853 852399652 /nfs/dbraw/zinc/39/96/52/852399652.db2.gz VNUVKHNLNOGYME-JTQLQIEISA-N -2 0 364.445 0.563 20 0 FCADRL NC(=O)S(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC001193280654 852402437 /nfs/dbraw/zinc/40/24/37/852402437.db2.gz RKLFDGJOXMMUBC-QMMMGPOBSA-N -2 0 364.401 0.579 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1C(N)=O ZINC001195189266 852721647 /nfs/dbraw/zinc/72/16/47/852721647.db2.gz GDUKHOBOCDPFCT-UHFFFAOYSA-N -2 0 360.298 0.296 20 0 FCADRL CCOC(=O)CS(=O)(=O)[N-]c1c(C)cc(C)cc1S(=O)(=O)[O-] ZINC001195974938 852858575 /nfs/dbraw/zinc/85/85/75/852858575.db2.gz NRYBGFQRDKAZEF-UHFFFAOYSA-N -2 0 351.402 0.855 20 0 FCADRL CS(=O)(=O)[N-]c1ccsc1C(=O)n1[n-]c2ccnc(=O)c-2c1N ZINC001196740448 853006807 /nfs/dbraw/zinc/00/68/07/853006807.db2.gz HJBFZZMPRVVQJD-UHFFFAOYSA-N -2 0 353.385 0.380 20 0 FCADRL CCc1c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c(C(N)=O)nn1C ZINC001198750906 853311827 /nfs/dbraw/zinc/31/18/27/853311827.db2.gz VDEQCBRXCYRCGN-UHFFFAOYSA-N -2 0 352.372 0.580 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1ccncc1OCC1CCOCC1 ZINC001199121408 853373946 /nfs/dbraw/zinc/37/39/46/853373946.db2.gz AKKNGIBWRWCCHA-UHFFFAOYSA-N -2 0 360.303 0.726 20 0 FCADRL O=C([O-])C[C@H](C(=O)OCc1nnc(-c2ccccc2)o1)[C@H](O)C(=O)[O-] ZINC001222934648 856882871 /nfs/dbraw/zinc/88/28/71/856882871.db2.gz BAEUZVQSQSEVRV-CABZTGNLSA-N -2 0 350.283 0.316 20 0 FCADRL O=C([O-])C[C@H](C(=O)OCc1noc(-c2ccccc2)n1)[C@H](O)C(=O)[O-] ZINC001223094336 856896047 /nfs/dbraw/zinc/89/60/47/856896047.db2.gz FJEDHRNMUVLAIE-CABZTGNLSA-N -2 0 350.283 0.316 20 0 FCADRL CCOC(=O)[C@H](OC(=O)[C@H](O)COP(=O)([O-])[O-])c1ccccc1F ZINC001224152777 856963228 /nfs/dbraw/zinc/96/32/28/856963228.db2.gz BUJAOJANYHYIJJ-GHMZBOCLSA-N -2 0 366.234 0.443 20 0 FCADRL O=C(Oc1c(F)cccc1Br)[C@H](O)COP(=O)([O-])[O-] ZINC001225623454 857051095 /nfs/dbraw/zinc/05/10/95/857051095.db2.gz OEHVLMNSJOIXST-SSDOTTSWSA-N -2 0 359.040 0.964 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(Br)ccc1O)[C@@H](O)C(=O)[O-] ZINC001225699821 857054542 /nfs/dbraw/zinc/05/45/42/857054542.db2.gz CZRHUSHHZRICMD-LHLIQPBNSA-N -2 0 363.116 0.597 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc(Br)ccc1O)[C@H](O)C(=O)[O-] ZINC001225699823 857055593 /nfs/dbraw/zinc/05/55/93/857055593.db2.gz CZRHUSHHZRICMD-WKEGUHRASA-N -2 0 363.116 0.597 20 0 FCADRL Cc1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])ncc1Br ZINC001225778403 857059039 /nfs/dbraw/zinc/05/90/39/857059039.db2.gz FJLNTOUKLAUDMT-SSDOTTSWSA-N -2 0 356.065 0.528 20 0 FCADRL Cc1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ncc1Br ZINC001225779072 857059160 /nfs/dbraw/zinc/05/91/60/857059160.db2.gz MOORZIPRWRHRLO-LHLIQPBNSA-N -2 0 362.132 0.594 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(O)ccc1Br)[C@@H](O)C(=O)[O-] ZINC001225811045 857062859 /nfs/dbraw/zinc/06/28/59/857062859.db2.gz NZLHVOGDPLISOT-LHLIQPBNSA-N -2 0 363.116 0.597 20 0 FCADRL Cc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(=O)n1CC1CC1 ZINC001225867345 857067850 /nfs/dbraw/zinc/06/78/50/857067850.db2.gz MRXHZBPIQNLBPE-FZMZJTMJSA-N -2 0 353.327 0.009 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(-c2csnn2)cc1)[C@H](O)C(=O)[O-] ZINC001226014243 857077662 /nfs/dbraw/zinc/07/76/62/857077662.db2.gz UIKJQYCDEKCWRJ-CABZTGNLSA-N -2 0 352.324 0.647 20 0 FCADRL CSc1nc2[nH]ccc2c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001226024206 857080071 /nfs/dbraw/zinc/08/00/71/857080071.db2.gz PPBQCVFIZZSXNA-POYBYMJQSA-N -2 0 355.328 0.122 20 0 FCADRL COC(=O)/C=C/c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001226249128 857094467 /nfs/dbraw/zinc/09/44/67/857094467.db2.gz QXZNEOKHRNYORJ-FKULILBMSA-N -2 0 352.295 0.315 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1nc(Cl)nc2ccc(F)cc21)[C@@H](O)C(=O)[O-] ZINC001226372423 857099485 /nfs/dbraw/zinc/09/94/85/857099485.db2.gz NPAQUKSPGPOGNO-OIBJUYFYSA-N -2 0 372.692 0.864 20 0 FCADRL Cc1c(C)c2ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc2oc1=O ZINC001226473683 857105496 /nfs/dbraw/zinc/10/54/96/857105496.db2.gz BHEAYCCMDAVBIY-LLVKDONJSA-N -2 0 358.239 0.785 20 0 FCADRL CCOC(=O)c1c(Cl)cccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001226791601 857125531 /nfs/dbraw/zinc/12/55/31/857125531.db2.gz JXXQRPGBFNNZAN-JVXZTZIISA-N -2 0 374.729 0.959 20 0 FCADRL Cc1cc(=O)oc2cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc12 ZINC001227541908 857163617 /nfs/dbraw/zinc/16/36/17/857163617.db2.gz CTXYBVRRTQDZRR-HZMBPMFUSA-N -2 0 350.279 0.543 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc(=O)cc(C(F)(F)F)[n-]1)[C@@H](O)C(=O)[O-] ZINC001227584436 857165719 /nfs/dbraw/zinc/16/57/19/857165719.db2.gz RTPTWXXRBSLFOL-SSDLBLMSSA-N -3 0 353.205 0.248 20 0 FCADRL O=C(Oc1ccc(Br)nc1F)[C@H](O)COP(=O)([O-])[O-] ZINC001227607793 857167339 /nfs/dbraw/zinc/16/73/39/857167339.db2.gz MBWPKHGRQYNWNH-SCSAIBSYSA-N -2 0 360.028 0.359 20 0 FCADRL CCC(=O)c1c(O)cc(O)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228554371 857215449 /nfs/dbraw/zinc/21/54/49/857215449.db2.gz HXWYEFMDZRJIHH-WPPNPWJKSA-N -2 0 356.283 0.132 20 0 FCADRL Cc1cc(=O)oc2c1ccc(O)c2OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001228623168 857220048 /nfs/dbraw/zinc/22/00/48/857220048.db2.gz PFXMFQDRIPFUIY-SECBINFHSA-N -2 0 360.211 0.183 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1[nH]c(=S)nc2ccccc21)[C@@H](O)C(=O)[O-] ZINC001228766748 857227995 /nfs/dbraw/zinc/22/79/95/857227995.db2.gz VCBZMVOWIZRLTP-OIBJUYFYSA-N -2 0 352.324 0.360 20 0 FCADRL CCC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(OC)c1 ZINC001228876958 857234353 /nfs/dbraw/zinc/23/43/53/857234353.db2.gz KOLISCNVGDAOIY-OTYXRUKQSA-N -2 0 354.311 0.730 20 0 FCADRL COC(=O)c1c(F)cc(F)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228908241 857237117 /nfs/dbraw/zinc/23/71/17/857237117.db2.gz MENNGCWHYDFYJG-KSBSHMNSSA-N -2 0 362.237 0.193 20 0 FCADRL CCOC(=O)c1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cnc1C ZINC001229028718 857245080 /nfs/dbraw/zinc/24/50/80/857245080.db2.gz HZGNJJYLVZJKDW-ZYHUDNBSSA-N -2 0 355.299 0.009 20 0 FCADRL CSc1nc2c(c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1)CCCC2 ZINC001229161611 857255180 /nfs/dbraw/zinc/25/51/80/857255180.db2.gz OVESZAWXJZZLNX-LDYMZIIASA-N -2 0 370.383 0.519 20 0 FCADRL O=C(Oc1c2ccoc2cc2oc(=O)ccc21)[C@H](O)COP(=O)([O-])[O-] ZINC001229244297 857260916 /nfs/dbraw/zinc/26/09/16/857260916.db2.gz AXMCQSORTIFCPS-SECBINFHSA-N -2 0 370.206 0.915 20 0 FCADRL Cc1csc2nc(=S)[nH]c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c12 ZINC001229352511 857266183 /nfs/dbraw/zinc/26/61/83/857266183.db2.gz IAEVPSAMQGBEGP-XRGYYRRGSA-N -2 0 372.380 0.730 20 0 FCADRL COC(=O)c1cc(Cl)c(C)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001229854669 857290132 /nfs/dbraw/zinc/29/01/32/857290132.db2.gz OKDIBRIWOZSELL-SECBINFHSA-N -2 0 368.662 0.811 20 0 FCADRL CC[C@H](COc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-])OC ZINC001230145009 857307400 /nfs/dbraw/zinc/30/74/00/857307400.db2.gz UNDXUVRDRYYNQE-SSDOTTSWSA-N -2 0 356.374 0.689 20 0 FCADRL CCc1cccc(C(=O)OC)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001230963017 857353123 /nfs/dbraw/zinc/35/31/23/857353123.db2.gz BCOAMTZALOYWDL-ZYHUDNBSSA-N -2 0 354.311 0.477 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc(O)cc(Br)c1)[C@@H](O)C(=O)[O-] ZINC001231016310 857353592 /nfs/dbraw/zinc/35/35/92/857353592.db2.gz XADZNXLGRRMTQX-WCBMZHEXSA-N -2 0 363.116 0.597 20 0 FCADRL Cn1c2ccc(Cl)nc2nc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001231039783 857354470 /nfs/dbraw/zinc/35/44/70/857354470.db2.gz MBCGSXQRCFEHNN-MLUIRONXSA-N -2 0 357.706 0.064 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(=O)[nH]c2ccc(F)cc21)[C@@H](O)C(=O)[O-] ZINC001231391842 857360425 /nfs/dbraw/zinc/36/04/25/857360425.db2.gz KYLWWSHMSBMZAJ-AMIZOPFISA-N -2 0 353.258 0.521 20 0 FCADRL COC(=O)CCc1cccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001233658947 857388505 /nfs/dbraw/zinc/38/85/05/857388505.db2.gz SDJGSSWJMORLSN-RISCZKNCSA-N -2 0 354.311 0.234 20 0 FCADRL CC(=O)N1CCc2cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc21 ZINC001233645194 857388605 /nfs/dbraw/zinc/38/86/05/857388605.db2.gz GTLLGBXVRXJRFY-RISCZKNCSA-N -2 0 351.311 0.037 20 0 FCADRL CCOC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1C ZINC001233806152 857390111 /nfs/dbraw/zinc/39/01/11/857390111.db2.gz WKAHZIWLBOZGAC-DGCLKSJQSA-N -2 0 354.311 0.614 20 0 FCADRL COC(=O)c1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])ccc1Cl ZINC001233973722 857393856 /nfs/dbraw/zinc/39/38/56/857393856.db2.gz WSRJBCAMOGHSBF-SECBINFHSA-N -2 0 354.635 0.502 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1nc(Cl)nc2c1CCCC2)[C@H](O)C(=O)[O-] ZINC001234065402 857394907 /nfs/dbraw/zinc/39/49/07/857394907.db2.gz VBPTYFVYYNCCDR-XVKPBYJWSA-N -2 0 358.734 0.451 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ncnc2cc(F)c(F)cc21)[C@H](O)C(=O)[O-] ZINC001234030429 857395197 /nfs/dbraw/zinc/39/51/97/857395197.db2.gz GBNHYHORXSCLHA-KGFZYKRKSA-N -2 0 356.237 0.350 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cnc(F)cc1Br)[C@H](O)C(=O)[O-] ZINC001234212157 857398887 /nfs/dbraw/zinc/39/88/87/857398887.db2.gz KTHBPCPJBXJAPW-MOFOKWOHSA-N -2 0 366.095 0.425 20 0 FCADRL COC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(F)c1F ZINC001234401271 857403843 /nfs/dbraw/zinc/40/38/43/857403843.db2.gz ADUKEBGLCZLKSW-KGFZYKRKSA-N -2 0 362.237 0.193 20 0 FCADRL COC(=O)c1cc(Cl)cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1 ZINC001234622412 857411183 /nfs/dbraw/zinc/41/11/83/857411183.db2.gz HGGYDBYQGFOLAC-SECBINFHSA-N -2 0 354.635 0.502 20 0 FCADRL Cc1ccc2c(c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])CCCC2=O ZINC001234851344 857414139 /nfs/dbraw/zinc/41/41/39/857414139.db2.gz IQZGBBBEYONBMN-RISCZKNCSA-N -2 0 350.323 0.956 20 0 FCADRL COc1c(Cl)ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1F ZINC001234965947 857416711 /nfs/dbraw/zinc/41/67/11/857416711.db2.gz YAXGYBFLXWEQIQ-RRAGMBSWSA-N -2 0 350.682 0.930 20 0 FCADRL COC(=O)c1cc(Cl)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1F ZINC001234959402 857417054 /nfs/dbraw/zinc/41/70/54/857417054.db2.gz PHTANJIPGSHRGN-MRVPVSSYSA-N -2 0 372.625 0.641 20 0 FCADRL COc1ncc(-c2ccc(P(=O)([O-])[O-])cc2)cc1NS(C)(=O)=O ZINC001244795917 857551205 /nfs/dbraw/zinc/55/12/05/857551205.db2.gz LZHPXHAIRRAUGE-UHFFFAOYSA-N -2 0 358.312 0.932 20 0 FCADRL NC(=O)c1nccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259213894 858248695 /nfs/dbraw/zinc/24/86/95/858248695.db2.gz RSPFUOYHJGCLHI-UHFFFAOYSA-N -2 0 374.737 0.867 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)[N-]C3=O)cn1 ZINC001259838593 858294269 /nfs/dbraw/zinc/29/42/69/858294269.db2.gz WSVJNXWHGDDFGZ-UHFFFAOYSA-N -2 0 356.385 0.136 20 0 FCADRL O=P([O-])([O-])OCCNS(=O)(=O)c1ccc(-c2cnco2)s1 ZINC001260001219 858325394 /nfs/dbraw/zinc/32/53/94/858325394.db2.gz JBXYONIIRGWXDJ-UHFFFAOYSA-N -2 0 354.302 0.791 20 0 FCADRL COC(=O)c1ncc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cn1 ZINC001260392859 858365245 /nfs/dbraw/zinc/36/52/45/858365245.db2.gz STWSROKJMACEQS-UHFFFAOYSA-N -2 0 353.312 0.468 20 0 FCADRL CNC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260394299 858366568 /nfs/dbraw/zinc/36/65/68/858366568.db2.gz ZHZMVBNTIXUACW-UHFFFAOYSA-N -2 0 352.328 0.041 20 0 FCADRL COc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c(C(N)=O)c1 ZINC001260399958 858369126 /nfs/dbraw/zinc/36/91/26/858369126.db2.gz JTGCBTWDMAQIIW-UHFFFAOYSA-N -2 0 366.351 0.999 20 0 FCADRL CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2c(C)n[nH]c2C)cc1 ZINC001261023309 858436748 /nfs/dbraw/zinc/43/67/48/858436748.db2.gz ZJYWOTJYGZDOKE-UHFFFAOYSA-N -2 0 372.428 0.652 20 0 FCADRL O=c1nc(CCNS(=O)(=O)c2c([O-])cccc2OC(F)(F)F)[n-]o1 ZINC001309454425 866810134 /nfs/dbraw/zinc/81/01/34/866810134.db2.gz LUEIQZYUIXMZDY-UHFFFAOYSA-N -2 0 369.277 0.488 20 0 FCADRL COc1cc(F)cc(F)c1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC001324185212 869499958 /nfs/dbraw/zinc/49/99/58/869499958.db2.gz PGWVPBPKVOUTJB-QMMMGPOBSA-N -2 0 353.299 0.570 20 0 FCADRL COC(=O)Cc1ccc(S(=O)(=O)[N-]C(=O)CCCC(=O)[O-])cc1F ZINC001329288406 871934102 /nfs/dbraw/zinc/93/41/02/871934102.db2.gz PVOFMDQMZWYSJO-UHFFFAOYSA-N -2 0 361.347 0.601 20 0 FCADRL COCc1noc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1 ZINC001329926007 872368328 /nfs/dbraw/zinc/36/83/28/872368328.db2.gz PUVBRBPNRCZPHO-XVKPBYJWSA-N -2 0 366.296 0.312 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)cc2)s1 ZINC000324569807 971133977 /nfs/dbraw/zinc/13/39/77/971133977.db2.gz SNUYSDWWUUCHOT-UHFFFAOYSA-N -2 0 370.408 0.969 20 0 FCADRL O=Cc1cc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])co1 ZINC001595295499 950125459 /nfs/dbraw/zinc/12/54/59/950125459.db2.gz OZDPGYFNDXJNQU-NXEZZACHSA-N -2 0 362.260 0.828 20 0 FCADRL CC1(C)C[C@](C)(NCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C(=O)O1 ZINC001575630301 950760216 /nfs/dbraw/zinc/76/02/16/950760216.db2.gz ALWNUMACNPRCTH-HNNXBMFYSA-N -2 0 358.362 0.189 20 0 FCADRL CCOCCO[N-]C(=O)[C@@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001591976558 951248203 /nfs/dbraw/zinc/24/82/03/951248203.db2.gz CRFPXVMEIQGHND-OAHLLOKOSA-N -2 0 362.379 0.161 20 0 FCADRL O=C([O-])CN1CCCC[C@H](NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1=O ZINC001595092709 951795059 /nfs/dbraw/zinc/79/50/59/951795059.db2.gz AVGARJPUMWVDPG-LBPRGKRZSA-N -2 0 374.353 0.225 20 0 FCADRL O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001594957314 954988455 /nfs/dbraw/zinc/98/84/55/954988455.db2.gz FSACMNXTXVGQSO-QMMMGPOBSA-N -2 0 350.249 0.384 20 0 FCADRL COC(=O)CC[C@H](NS(=O)(=O)c1c[nH]nc1C(F)(F)F)C(=O)[O-] ZINC001593849833 955445101 /nfs/dbraw/zinc/44/51/01/955445101.db2.gz JPIAXRXPCAKIIC-YFKPBYRVSA-N -2 0 359.282 0.113 20 0 FCADRL Cn1cc(/C=C/C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cn1 ZINC000852955765 955882832 /nfs/dbraw/zinc/88/28/32/955882832.db2.gz ARRAMSGRMSJSJP-KOBKQOIESA-N -2 0 374.319 0.556 20 0 FCADRL CO[C@H](C(=O)[O-])C(=O)Nc1n[nH]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001593910864 955962613 /nfs/dbraw/zinc/96/26/13/955962613.db2.gz CGGQNSXGCUAMBS-JTQLQIEISA-N -2 0 373.774 0.934 20 0 FCADRL Nc1ccnc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC001594666844 956584086 /nfs/dbraw/zinc/58/40/86/956584086.db2.gz ZWQBQQOXCDMUNT-WPRPVWTQSA-N -2 0 360.292 0.400 20 0 FCADRL O=C([O-])[C@H](NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)c1ccc(F)cc1 ZINC001594716112 956927370 /nfs/dbraw/zinc/92/73/70/956927370.db2.gz KZGJPZDQMLKWNI-CYBMUJFWSA-N -2 0 372.312 0.961 20 0 FCADRL C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(C(=O)[O-])cn2)C1=O ZINC001589253439 956974478 /nfs/dbraw/zinc/97/44/78/956974478.db2.gz RPCVBGZLBPZXTE-KRWDZBQOSA-N -2 0 354.322 0.892 20 0 FCADRL O=C([O-])c1cc(C(=O)N[C@@H](c2nnn[n-]2)c2ccc(Cl)c(F)c2)[nH]n1 ZINC001594726056 957002993 /nfs/dbraw/zinc/00/29/93/957002993.db2.gz FQSDYTGHLZBHGD-SNVBAGLBSA-N -2 0 365.712 0.933 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCC[C@H](C)[C@@H]3C(=O)[O-])cc2=O)n1 ZINC001594305918 957966743 /nfs/dbraw/zinc/96/67/43/957966743.db2.gz MNEVVIPBFULYOO-LKFCYVNXSA-N -2 0 359.386 0.898 20 0 FCADRL Cc1cnn(C)c1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001594434778 959218519 /nfs/dbraw/zinc/21/85/19/959218519.db2.gz VAWBDQMZNWSFOZ-WPRPVWTQSA-N -2 0 362.308 0.465 20 0 FCADRL O=C([O-])[C@@H]1CC(C(=O)NCCc2n[n-]c(=S)o2)=NN1c1ccccc1 ZINC001605792862 972505971 /nfs/dbraw/zinc/50/59/71/972505971.db2.gz YZCJRHRPKJIGTA-NSHDSACASA-N -2 0 361.383 0.737 20 0 FCADRL O=C([O-])CC1(C(=O)NCCNC(=O)c2ccc(O)cc2)CCOCC1 ZINC001574671291 962551588 /nfs/dbraw/zinc/55/15/88/962551588.db2.gz DZRSWFIIIUVDQT-UHFFFAOYSA-N -2 0 350.371 0.510 20 0 FCADRL COc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cc1OC ZINC000315330735 963883209 /nfs/dbraw/zinc/88/32/09/963883209.db2.gz DBRPCPFXOWARHS-UHFFFAOYSA-N -2 0 356.356 0.911 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccns1 ZINC001605970226 972976350 /nfs/dbraw/zinc/97/63/50/972976350.db2.gz NRAADFVERGQQEW-POYBYMJQSA-N -2 0 351.306 0.879 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc(O)cn1 ZINC001605971312 972981728 /nfs/dbraw/zinc/98/17/28/972981728.db2.gz WZMUHUQBKHTPRY-PSASIEDQSA-N -2 0 361.276 0.524 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1nccs1 ZINC001605974133 972990311 /nfs/dbraw/zinc/99/03/11/972990311.db2.gz LAWOZFWRAORAAU-NKWVEPMBSA-N -2 0 351.306 0.879 20 0 FCADRL CC(C)OC[C@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)[O-] ZINC001591730726 975698049 /nfs/dbraw/zinc/69/80/49/975698049.db2.gz IWCNIPHOBNTXKP-QMMMGPOBSA-N -2 0 367.326 0.820 20 0 FCADRL C[C@@H](CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])n1cc(Br)cn1 ZINC001592251821 977480495 /nfs/dbraw/zinc/48/04/95/977480495.db2.gz JAJPLZDQPUTGRQ-BQBZGAKWSA-N -2 0 368.209 0.516 20 0 FCADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC001592360369 977847871 /nfs/dbraw/zinc/84/78/71/977847871.db2.gz VPGQJAVYIYVQBL-ZCFIWIBFSA-N -2 0 351.283 0.924 20 0 FCADRL C[C@H](CCC(=O)[N-]S(=O)(=O)CCC(=O)[O-])NC(=O)OC(C)(C)C ZINC001592471380 978231727 /nfs/dbraw/zinc/23/17/27/978231727.db2.gz RJRNRUYXZXZKQY-SECBINFHSA-N -2 0 352.409 0.601 20 0 FCADRL C[C@@H](CNS(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1)C(=O)[O-] ZINC001592723371 979231393 /nfs/dbraw/zinc/23/13/93/979231393.db2.gz WMUYSRZMUNHAHA-ZETCQYMHSA-N -2 0 351.764 0.802 20 0 FCADRL C[C@@H](CS(=O)(=O)N[C@H](Cc1ccc2c(c1)OCO2)C(=O)[O-])C(=O)[O-] ZINC001592806502 979469512 /nfs/dbraw/zinc/46/95/12/979469512.db2.gz HYAXCVVBTATTLF-WCBMZHEXSA-N -2 0 359.356 0.051 20 0 FCADRL C[C@H](CS(=O)(=O)NC1CCN(c2ccc(C(=O)[O-])cc2)CC1)C(=O)[O-] ZINC001592809513 979489103 /nfs/dbraw/zinc/48/91/03/979489103.db2.gz XCJOWQDSDNZXJH-LLVKDONJSA-N -2 0 370.427 0.994 20 0 FCADRL C[C@@H](CSCCNS(=O)(=O)c1scnc1C(=O)[O-])C(=O)[O-] ZINC001592825939 979547079 /nfs/dbraw/zinc/54/70/79/979547079.db2.gz PLBVBFNUTDJRIQ-LURJTMIESA-N -2 0 354.431 0.574 20 0 FCADRL C[C@@H](NC(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001592979448 980146241 /nfs/dbraw/zinc/14/62/41/980146241.db2.gz JBQMYDHXDAGWKW-NUGNTBJXSA-N -2 0 352.387 0.528 20 0 FCADRL CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001595546498 981411638 /nfs/dbraw/zinc/41/16/38/981411638.db2.gz DYRHCGMZJAKREI-XPTSAGLGSA-N -2 0 366.436 0.989 20 0 FCADRL CCC[C@H](O)[C@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C(=O)[O-] ZINC001595609376 981620395 /nfs/dbraw/zinc/62/03/95/981620395.db2.gz VFRPBGLXVZUYLP-KWQFWETISA-N -2 0 367.326 0.556 20 0 FCADRL CCCSC[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC001595986949 983234070 /nfs/dbraw/zinc/23/40/70/983234070.db2.gz GRGXETXFNKRGLQ-SNVBAGLBSA-N -2 0 354.450 0.214 20 0 FCADRL CCCc1c(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)[nH]c(C)c1C(=O)[O-] ZINC001596045924 983338339 /nfs/dbraw/zinc/33/83/39/983338339.db2.gz WWOGYGCJKXMDIF-MRVPVSSYSA-N -2 0 360.388 0.595 20 0 FCADRL CCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-] ZINC001596227232 983618245 /nfs/dbraw/zinc/61/82/45/983618245.db2.gz KTHLAZHUWKINLW-UHFFFAOYSA-N -2 0 351.358 0.328 20 0 FCADRL CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001596663258 984719326 /nfs/dbraw/zinc/71/93/26/984719326.db2.gz PKKIFKSTMRHLMW-UHFFFAOYSA-N -2 0 372.399 0.857 20 0 FCADRL CCOC(=O)c1[n-]c(NC(=O)Cn2cccc(C(=O)[O-])c2=O)nc1Cl ZINC001596692677 984813935 /nfs/dbraw/zinc/81/39/35/984813935.db2.gz YWTBLTZFUPVJCN-UHFFFAOYSA-N -2 0 368.733 0.738 20 0 FCADRL CC(=O)N1C[C@@H]2CCC[C@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])no3)[C@@H]2C1 ZINC001589058635 985177762 /nfs/dbraw/zinc/17/77/62/985177762.db2.gz YHJRGWAMDUNQGI-AXFHLTTASA-N -2 0 357.388 0.298 20 0 FCADRL CCOCC(=O)[N-]S(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC001596862531 985644591 /nfs/dbraw/zinc/64/45/91/985644591.db2.gz XAKSWKRXIPTJLG-UHFFFAOYSA-N -2 0 365.385 0.383 20 0 FCADRL CC(=O)c1[nH]c(CC(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)c(C(=O)[O-])c1C ZINC001589244422 985846254 /nfs/dbraw/zinc/84/62/54/985846254.db2.gz QFXXYOAULYGGLD-JTQLQIEISA-N -2 0 372.399 0.391 20 0 FCADRL CC(=O)c1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)ccc1C ZINC001589257796 985906164 /nfs/dbraw/zinc/90/61/64/985906164.db2.gz NHWIUEAOZKRROY-UHFFFAOYSA-N -2 0 368.411 0.969 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cnn1-c1ccc(F)cc1 ZINC001599982026 986176831 /nfs/dbraw/zinc/17/68/31/986176831.db2.gz IAIPYOUZEMKFBR-VIFPVBQESA-N -2 0 355.347 0.853 20 0 FCADRL C[C@H](C(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001589339979 986243863 /nfs/dbraw/zinc/24/38/63/986243863.db2.gz PVKOCHFFDDKGOS-SNVBAGLBSA-N -2 0 351.384 0.929 20 0 FCADRL C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001589350105 986308016 /nfs/dbraw/zinc/30/80/16/986308016.db2.gz OBOVJOFRLSUNIM-CMPLNLGQSA-N -2 0 351.407 0.401 20 0 FCADRL CCOc1cc(C(=O)NCCc2nc(=O)o[n-]2)ccc1OCC(=O)[O-] ZINC001597005694 986329601 /nfs/dbraw/zinc/32/96/01/986329601.db2.gz WYHBSBHAJMHWJG-UHFFFAOYSA-N -2 0 351.315 0.198 20 0 FCADRL CCOc1ccc(C(=O)CCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1 ZINC001597055770 986534711 /nfs/dbraw/zinc/53/47/11/986534711.db2.gz IJAACJLWBAOSDB-JTQLQIEISA-N -2 0 357.384 0.967 20 0 FCADRL CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC1 ZINC001597123363 986823765 /nfs/dbraw/zinc/82/37/65/986823765.db2.gz MEZLRJYDWOIBOQ-UHFFFAOYSA-N -2 0 370.383 0.713 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C ZINC001589450127 986837004 /nfs/dbraw/zinc/83/70/04/986837004.db2.gz ATRYCFOIPAFDKQ-QEYWKRMJSA-N -2 0 364.420 0.455 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001589454693 986883605 /nfs/dbraw/zinc/88/36/05/986883605.db2.gz PTSARYISGCJTFQ-IUCAKERBSA-N -2 0 354.384 0.740 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ncn(-c2ccccc2)n1 ZINC001589455036 986888894 /nfs/dbraw/zinc/88/88/94/986888894.db2.gz UTYJDWQVGZJEOH-ZJUUUORDSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1nn(C)c(=O)c2ccccc21 ZINC001589455298 986894509 /nfs/dbraw/zinc/89/45/09/986894509.db2.gz XPSXAHGPGMQEPS-DTWKUNHWSA-N -2 0 367.383 0.102 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(OC(F)F)cn1 ZINC001589455415 986896806 /nfs/dbraw/zinc/89/68/06/986896806.db2.gz ZZOMAZWTLZDIAZ-RNFRBKRXSA-N -2 0 352.315 0.852 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(OCC(F)(F)F)cn1 ZINC001589492802 987065051 /nfs/dbraw/zinc/06/50/51/987065051.db2.gz YRWAYMVPYYSLAC-LURJTMIESA-N -2 0 356.278 0.555 20 0 FCADRL CCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC001594701822 987144704 /nfs/dbraw/zinc/14/47/04/987144704.db2.gz UDUATFOJYGVLAG-LBPRGKRZSA-N -2 0 368.411 0.838 20 0 FCADRL CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OC)C(=O)[O-] ZINC001597314678 987438740 /nfs/dbraw/zinc/43/87/40/987438740.db2.gz ZZVDDFRPKJSVAT-UFBFGSQYSA-N -2 0 352.343 0.947 20 0 FCADRL CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001597321717 987449215 /nfs/dbraw/zinc/44/92/15/987449215.db2.gz AMXBKQXQDUUOOW-ZANVPECISA-N -2 0 371.415 0.709 20 0 FCADRL CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001597321739 987449268 /nfs/dbraw/zinc/44/92/68/987449268.db2.gz BYFUXEIALQEUDR-ZANVPECISA-N -2 0 356.400 0.741 20 0 FCADRL CC(C)(C)CC[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC001589766873 988118147 /nfs/dbraw/zinc/11/81/47/988118147.db2.gz RRKSIMVENCHBEH-LLVKDONJSA-N -2 0 350.437 0.897 20 0 FCADRL CC(C)(C)N1CC[C@@](F)(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001589806667 988232605 /nfs/dbraw/zinc/23/26/05/988232605.db2.gz SHXQQYVTICQDAZ-AWEZNQCLSA-N -2 0 362.379 0.995 20 0 FCADRL CC(C)(C)OC(=O)[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C1CC1 ZINC001589843486 988345593 /nfs/dbraw/zinc/34/55/93/988345593.db2.gz VZVPGJAOGLFRCI-JTQLQIEISA-N -2 0 363.432 0.911 20 0 FCADRL CC(C)(C)OC(=O)CCC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001589871612 988496014 /nfs/dbraw/zinc/49/60/14/988496014.db2.gz GERJFGOUOZXNCF-UHFFFAOYSA-N -2 0 364.401 0.768 20 0 FCADRL CC(C)(C)OC(=O)COCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001589898684 988595612 /nfs/dbraw/zinc/59/56/12/988595612.db2.gz QEKSURLDKHFWII-UHFFFAOYSA-N -2 0 373.383 0.548 20 0 FCADRL CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001589920799 988656330 /nfs/dbraw/zinc/65/63/30/988656330.db2.gz PDWDHNDLDZNGNQ-SNVBAGLBSA-N -2 0 364.420 0.553 20 0 FCADRL CCc1nc(CNS(=O)(=O)c2csnc2C(=O)[O-])ccc1C(=O)[O-] ZINC001597674156 988781141 /nfs/dbraw/zinc/78/11/41/988781141.db2.gz VQGIGLJMCRBHIX-UHFFFAOYSA-N -2 0 371.396 0.975 20 0 FCADRL CCc1ncc(CN(CC(=O)[O-])S(=O)(=O)CCCC(=O)[O-])s1 ZINC001597697000 988902983 /nfs/dbraw/zinc/90/29/83/988902983.db2.gz FUOXJPGANTUNHT-UHFFFAOYSA-N -2 0 350.418 0.787 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001590073688 989156119 /nfs/dbraw/zinc/15/61/19/989156119.db2.gz AXVHRLXXECGYFX-QMMMGPOBSA-N -2 0 361.376 0.661 20 0 FCADRL CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001590092218 989216903 /nfs/dbraw/zinc/21/69/03/989216903.db2.gz LLDNXYPBOOYENF-QMMMGPOBSA-N -2 0 368.433 0.217 20 0 FCADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC001597778092 989254026 /nfs/dbraw/zinc/25/40/26/989254026.db2.gz OBMRBOHPFUZZQJ-BJOHPYRUSA-N -2 0 373.383 0.652 20 0 FCADRL CC(C)(C)OC(=O)NCC(F)(F)CC(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001590154261 989458882 /nfs/dbraw/zinc/45/88/82/989458882.db2.gz LVZLHOMZJLIDDW-UHFFFAOYSA-N -2 0 374.362 0.457 20 0 FCADRL CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001590284112 989694970 /nfs/dbraw/zinc/69/49/70/989694970.db2.gz YHXIILRCIJWSLI-BDAKNGLRSA-N -2 0 350.393 0.210 20 0 FCADRL CCn1nc(C(C)C)cc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001597928125 989881010 /nfs/dbraw/zinc/88/10/10/989881010.db2.gz INSNEQCBEPQQRQ-UHFFFAOYSA-N -2 0 372.447 0.798 20 0 FCADRL CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])n1 ZINC001598135271 990584552 /nfs/dbraw/zinc/58/45/52/990584552.db2.gz OBLUDBCSRLUBHL-UHFFFAOYSA-N -2 0 371.350 0.004 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccccc1)C(=O)[O-] ZINC001590797877 990617423 /nfs/dbraw/zinc/61/74/23/990617423.db2.gz IGAFNAVQMPMENP-UHFFFAOYSA-N -2 0 370.427 0.292 20 0 FCADRL CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001590798319 990620621 /nfs/dbraw/zinc/62/06/21/990620621.db2.gz ROQHMSBOWKFAIJ-CQSZACIVSA-N -2 0 352.428 0.756 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1cnn(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC001590799009 990626088 /nfs/dbraw/zinc/62/60/88/990626088.db2.gz JNUQZNOGTIASHH-UHFFFAOYSA-N -2 0 370.362 0.577 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)CNC(=O)Nc1ccccc1)C(=O)[O-] ZINC001590799353 990628503 /nfs/dbraw/zinc/62/85/03/990628503.db2.gz RQTQYCCIOHMZRH-UHFFFAOYSA-N -2 0 357.388 0.365 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCc1noc(CCC(=O)[O-])n1 ZINC001590839996 990702939 /nfs/dbraw/zinc/70/29/39/990702939.db2.gz JKORHNJXLBAYGJ-UHFFFAOYSA-N -2 0 353.253 0.587 20 0 FCADRL CC(C)([N-]S(=O)(=O)N=S1(=O)CCCC1)c1cc(C(=O)[O-])on1 ZINC001590879364 990793310 /nfs/dbraw/zinc/79/33/10/990793310.db2.gz ZRIJUVMVJPOOHY-UHFFFAOYSA-N -2 0 351.406 0.704 20 0 FCADRL CC(C)[C@@H](CNC(=O)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)C(=O)[O-] ZINC001590982389 991150045 /nfs/dbraw/zinc/15/00/45/991150045.db2.gz MHMFTXFEPZYTSG-CQSZACIVSA-N -2 0 362.382 0.743 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)Nc2cnn(CC(=O)[O-])c2)c1 ZINC001598276567 991152888 /nfs/dbraw/zinc/15/28/88/991152888.db2.gz BMWKNHQVTCQRBN-UHFFFAOYSA-N -2 0 368.371 0.176 20 0 FCADRL COc1ccccc1[C@H](NS(=O)(=O)c1csnc1C(=O)[O-])C(=O)[O-] ZINC001599700663 991213376 /nfs/dbraw/zinc/21/33/76/991213376.db2.gz YGCGGVHJTBZCAM-JTQLQIEISA-N -2 0 372.380 0.954 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1F ZINC001598470947 992024837 /nfs/dbraw/zinc/02/48/37/992024837.db2.gz DDSZDYSGLUPWGO-NSHDSACASA-N -2 0 352.315 0.331 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cccc(F)c2)C1 ZINC001598471466 992032535 /nfs/dbraw/zinc/03/25/35/992032535.db2.gz OLKUIWHEDPGNOW-OLZOCXBDSA-N -2 0 374.390 0.577 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001599760319 992112282 /nfs/dbraw/zinc/11/22/82/992112282.db2.gz LAWQEYOFNQHRHB-CYBMUJFWSA-N -2 0 374.390 0.495 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc(C(=O)[O-])cn2)cn1 ZINC001599760832 992119736 /nfs/dbraw/zinc/11/97/36/992119736.db2.gz OTJRBZNBOUEFNI-UHFFFAOYSA-N -2 0 350.356 0.476 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCc1nc(C(=O)[O-])co1 ZINC001599761698 992131312 /nfs/dbraw/zinc/13/13/12/992131312.db2.gz ZETIRERFTJSCSH-UHFFFAOYSA-N -2 0 357.319 0.813 20 0 FCADRL CS(=O)(=O)[N-]c1nnc(NC(=O)c2cc(F)cc(C(=O)[O-])c2)s1 ZINC001599762355 992139508 /nfs/dbraw/zinc/13/95/08/992139508.db2.gz MHNCUFHDQNDKJA-UHFFFAOYSA-N -2 0 360.348 0.999 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N1C[C@H](c2ccccc2)[C@](F)(C(=O)[O-])C1 ZINC001598481524 992159239 /nfs/dbraw/zinc/15/92/39/992159239.db2.gz ZEJMGXBGJRLPDR-DOMZBBRYSA-N -2 0 374.390 0.530 20 0 FCADRL CC(C)CCOc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)nn1 ZINC001591261230 992173148 /nfs/dbraw/zinc/17/31/48/992173148.db2.gz XGJBEJQZMCNTSL-UHFFFAOYSA-N -2 0 369.403 0.983 20 0 FCADRL CS(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(=O)[O-])cc1 ZINC001599770919 992243175 /nfs/dbraw/zinc/24/31/75/992243175.db2.gz MBQWYMAZAINNRK-SKDRFNHKSA-N -2 0 370.383 0.872 20 0 FCADRL CS(=O)(=O)c1ccc(OCCS(=O)(=O)c2ncc(C(=O)[O-])[n-]2)cc1 ZINC001599771999 992255296 /nfs/dbraw/zinc/25/52/96/992255296.db2.gz SVNMLNSWLKIPNJ-UHFFFAOYSA-N -2 0 374.396 0.364 20 0 FCADRL CC(C)CS(=O)(=O)[N-]C(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001591417957 992501910 /nfs/dbraw/zinc/50/19/10/992501910.db2.gz ZXBURABEJICUDQ-VIFPVBQESA-N -2 0 352.409 0.456 20 0 FCADRL CN1C(=O)COc2ccc([N-]S(=O)(=O)c3cncc(C(=O)[O-])c3)cc21 ZINC001598552896 993023704 /nfs/dbraw/zinc/02/37/04/993023704.db2.gz GWYJQSJEXKZQRB-UHFFFAOYSA-N -2 0 363.351 0.936 20 0 FCADRL C[C@@H](NC(=O)NCCC(=O)NCCC(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593089626 993707671 /nfs/dbraw/zinc/70/76/71/993707671.db2.gz XBCHBULKSIMXBC-OUAUKWLOSA-N -2 0 357.407 0.402 20 0 FCADRL COc1ccc(OCCCS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC2)cc1 ZINC001599606082 993887423 /nfs/dbraw/zinc/88/74/23/993887423.db2.gz HKXKPAGOPWMRTN-UHFFFAOYSA-N -2 0 357.384 0.775 20 0 FCADRL COc1ccc(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)c(OC)c1C(=O)[O-] ZINC001599609854 993936741 /nfs/dbraw/zinc/93/67/41/993936741.db2.gz VFVMBOQYXAOOKK-ANRSDYALSA-N -2 0 371.367 0.497 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CC2)c(CC(=O)[O-])c1 ZINC001599611474 993960354 /nfs/dbraw/zinc/96/03/54/993960354.db2.gz KFPWGKQZWTTWQO-CYBMUJFWSA-N -3 0 371.367 0.238 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cc1OC ZINC001599611693 993963541 /nfs/dbraw/zinc/96/35/41/993963541.db2.gz ONUYRFXUSMGUIV-MNOVXSKESA-N -2 0 359.356 0.141 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@H](Cc2ccco2)C(=O)[O-])cc1C(=O)[O-] ZINC001599613298 993983354 /nfs/dbraw/zinc/98/33/54/993983354.db2.gz RWAREOZZXZKYNR-GFCCVEGCSA-N -2 0 369.351 0.961 20 0 FCADRL COc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCCC2)c(CC(=O)[O-])c1 ZINC001599613369 993984323 /nfs/dbraw/zinc/98/43/23/993984323.db2.gz WBQKHCUXSVGXAE-UHFFFAOYSA-N -2 0 357.384 0.998 20 0 FCADRL C[C@H](NC(=O)c1ccc(F)cc1[N-]S(=O)(=O)N1CCCC1)C(=O)[O-] ZINC001593168344 994011806 /nfs/dbraw/zinc/01/18/06/994011806.db2.gz JOYXMCWCJNYAOG-VIFPVBQESA-N -2 0 359.379 0.781 20 0 FCADRL COc1cccc([C@H](C)C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001599654536 994557095 /nfs/dbraw/zinc/55/70/95/994557095.db2.gz QJXPQGXGHCILNL-NSHDSACASA-N -2 0 370.427 0.956 20 0 FCADRL CNS(=O)(=O)c1cc(NC(=O)c2csc(C(=O)[O-])n2)ccc1[O-] ZINC001598674691 994820725 /nfs/dbraw/zinc/82/07/25/994820725.db2.gz MYRWNZXRZWNJBP-UHFFFAOYSA-N -2 0 357.369 0.707 20 0 FCADRL COc1cccc(COCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001599675115 994885039 /nfs/dbraw/zinc/88/50/39/994885039.db2.gz MADFJMWLEIYQGG-MNOVXSKESA-N -2 0 359.400 0.767 20 0 FCADRL COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC001598695370 995128263 /nfs/dbraw/zinc/12/82/63/995128263.db2.gz RVYLEQLDCAZWBG-LLVKDONJSA-N -2 0 359.356 0.296 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-])c1ccnn1C ZINC001598714247 995385249 /nfs/dbraw/zinc/38/52/49/995385249.db2.gz QDVFBORHYNLOSJ-GFCCVEGCSA-N -2 0 371.346 0.450 20 0 FCADRL C[C@@H](Oc1ccccc1F)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001593651004 996009302 /nfs/dbraw/zinc/00/93/02/996009302.db2.gz FYIXKUIEZJZDDW-SNVBAGLBSA-N -2 0 374.390 0.751 20 0 FCADRL C[C@]1(Br)C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001593739764 996354082 /nfs/dbraw/zinc/35/40/82/996354082.db2.gz KTQWJFZQIQNXQG-LDWIPMOCSA-N -2 0 352.162 0.956 20 0 FCADRL COC(=O)[C@@H]1CN(Cc2ncc(Br)cc2[O-])C[C@@H]1C(=O)[O-] ZINC001598824358 996365504 /nfs/dbraw/zinc/36/55/04/996365504.db2.gz GTEMEIAQKZNQQO-DTWKUNHWSA-N -2 0 359.176 0.855 20 0 FCADRL COC(=O)[C@@H]1CN(Cc2ncc(Br)cc2[O-])C[C@H]1C(=O)[O-] ZINC001598824361 996365773 /nfs/dbraw/zinc/36/57/73/996365773.db2.gz GTEMEIAQKZNQQO-RKDXNWHRSA-N -2 0 359.176 0.855 20 0 FCADRL C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C1 ZINC001593784779 996503692 /nfs/dbraw/zinc/50/36/92/996503692.db2.gz WZMDHUSHULSIDW-MRXNPFEDSA-N -2 0 352.318 0.715 20 0 FCADRL COC(=O)C[C@H](NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C)C(=O)[O-] ZINC001598839932 996516984 /nfs/dbraw/zinc/51/69/84/996516984.db2.gz LCRMXUFABDCRFP-VIFPVBQESA-N -2 0 359.356 0.296 20 0 FCADRL COC(=O)C[C@H](NS(=O)(=O)c1cc(F)c(C)c(C(=O)[O-])c1)C(=O)[O-] ZINC001598840639 996522264 /nfs/dbraw/zinc/52/22/64/996522264.db2.gz UJQSRADUZMEWMM-JTQLQIEISA-N -2 0 363.319 0.127 20 0 FCADRL COC(=O)CC[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)[O-] ZINC001598857541 996650273 /nfs/dbraw/zinc/65/02/73/996650273.db2.gz ZDXOJCHYVFEYLZ-LLVKDONJSA-N -2 0 365.317 0.853 20 0 FCADRL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2c(C(=O)[O-])cnn2C)cc1 ZINC001598872019 996741637 /nfs/dbraw/zinc/74/16/37/996741637.db2.gz PDJNMMMCQQYQQZ-UHFFFAOYSA-N -2 0 353.356 0.635 20 0 FCADRL COC(=O)N1CCC(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)CC1 ZINC001598879633 996794766 /nfs/dbraw/zinc/79/47/66/996794766.db2.gz KMCYVJFRGNBFSC-UHFFFAOYSA-N -2 0 374.371 0.570 20 0 FCADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-] ZINC001599382100 996873659 /nfs/dbraw/zinc/87/36/59/996873659.db2.gz KEQBTRGUPRDHIV-BONVTDFDSA-N -2 0 373.383 0.646 20 0 FCADRL COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001599488931 996904169 /nfs/dbraw/zinc/90/41/69/996904169.db2.gz UKQZYKHTYSNULM-UHFFFAOYSA-N -2 0 350.327 0.655 20 0 FCADRL COC1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)CC1 ZINC001599079630 996966912 /nfs/dbraw/zinc/96/69/12/996966912.db2.gz SXKRZYHMNULHSI-UHFFFAOYSA-N -2 0 357.384 0.948 20 0 FCADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC001599387275 996968486 /nfs/dbraw/zinc/96/84/86/996968486.db2.gz DXVUBFSLWVXQEG-UHFFFAOYSA-N -3 0 361.357 0.687 20 0 FCADRL COc1ccc(C(=O)[O-])cc1NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001599501587 997131455 /nfs/dbraw/zinc/13/14/55/997131455.db2.gz QDRDHVSMESGOGN-UHFFFAOYSA-N -2 0 358.372 0.847 20 0 FCADRL COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(C)c2C(=O)[O-])C1 ZINC001599193985 997181039 /nfs/dbraw/zinc/18/10/39/997181039.db2.gz GLYKNMKLCPQIKR-HNNXBMFYSA-N -2 0 357.384 0.805 20 0 FCADRL COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(C)c2C(=O)[O-])C1 ZINC001599193988 997181047 /nfs/dbraw/zinc/18/10/47/997181047.db2.gz GLYKNMKLCPQIKR-OAHLLOKOSA-N -2 0 357.384 0.805 20 0 FCADRL COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC001599195888 997215054 /nfs/dbraw/zinc/21/50/54/997215054.db2.gz USLGMGCVGBZBMH-IEXSPKMKSA-N -2 0 369.395 0.896 20 0 FCADRL COc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ncc[n-]2)cc1OC ZINC001599514669 997361783 /nfs/dbraw/zinc/36/17/83/997361783.db2.gz FYXGEYHLIZPMOR-SNVBAGLBSA-N -2 0 355.372 0.921 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)c1 ZINC001598923207 997607086 /nfs/dbraw/zinc/60/70/86/997607086.db2.gz LCIFNBQNGVVJTR-PRHODGIISA-N -2 0 371.367 0.655 20 0 FCADRL COCC[C@@H](NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)C(=O)[O-] ZINC001599219243 997636739 /nfs/dbraw/zinc/63/67/39/997636739.db2.gz PITBOXZDLYJXKQ-SECBINFHSA-N -2 0 353.299 0.431 20 0 FCADRL C[C@]1([N-]C(=O)C(F)(F)F)CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001594051470 997743658 /nfs/dbraw/zinc/74/36/58/997743658.db2.gz FOQUTMSIUHBUMN-NSHDSACASA-N -2 0 369.321 0.545 20 0 FCADRL C[C@]1([N-]C(=O)C(F)(F)F)CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC001594052453 997757852 /nfs/dbraw/zinc/75/78/52/997757852.db2.gz NMFKVEHAEJEZQY-NSHDSACASA-N -2 0 372.365 0.714 20 0 FCADRL COCCCn1cc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cn1 ZINC001599229328 997818326 /nfs/dbraw/zinc/81/83/26/997818326.db2.gz DNKFPXRJWQRNEO-UHFFFAOYSA-N -2 0 373.412 0.798 20 0 FCADRL COC(=O)c1cc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])cc2[nH]ccc21 ZINC001598937100 997889956 /nfs/dbraw/zinc/88/99/56/997889956.db2.gz KISANSXMLXCQKZ-UHFFFAOYSA-N -2 0 363.326 0.806 20 0 FCADRL COC(=O)c1cc(NC(=O)C(=O)[N-]OC2CCOCC2)ccc1C(=O)[O-] ZINC001598937169 997891952 /nfs/dbraw/zinc/89/19/52/997891952.db2.gz NUPRNONISGTNHQ-UHFFFAOYSA-N -2 0 366.326 0.337 20 0 FCADRL COc1ccc(CC(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)nc1 ZINC001599548563 997966655 /nfs/dbraw/zinc/96/66/55/997966655.db2.gz IAMOPLXGYUZDHD-UHFFFAOYSA-N -2 0 354.340 0.737 20 0 FCADRL COc1cc2cc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])[nH]c2cc1OC ZINC001599465943 998361008 /nfs/dbraw/zinc/36/10/08/998361008.db2.gz HTHRCZGJDINPOS-UHFFFAOYSA-N -2 0 356.356 0.719 20 0 FCADRL COCCOc1cccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC001599260573 998378439 /nfs/dbraw/zinc/37/84/39/998378439.db2.gz HEOACHYIVQWFDQ-QWRGUYRKSA-N -2 0 359.400 0.881 20 0 FCADRL COCCOc1ncccc1C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-] ZINC001599261980 998400937 /nfs/dbraw/zinc/40/09/37/998400937.db2.gz OSLYLSNDHJDJMW-VHSXEESVSA-N -2 0 360.388 0.276 20 0 FCADRL COCCOc1ncccc1C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC001599261978 998401386 /nfs/dbraw/zinc/40/13/86/998401386.db2.gz OSLYLSNDHJDJMW-NXEZZACHSA-N -2 0 360.388 0.276 20 0 FCADRL COc1ccc(CS(=O)(=O)C=C([O-])c2[nH]c(C)c(C(=O)[O-])c2C)nn1 ZINC001599575835 998441994 /nfs/dbraw/zinc/44/19/94/998441994.db2.gz MJEQPMFYVAYXCQ-UHFFFAOYSA-N -2 0 367.383 0.926 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)NCCC(C)(C)C(=O)[O-] ZINC001598967828 998455814 /nfs/dbraw/zinc/45/58/14/998455814.db2.gz JXBMITOBJOIAOR-UHFFFAOYSA-N -2 0 373.383 0.951 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001598969009 998478803 /nfs/dbraw/zinc/47/88/03/998478803.db2.gz LTLZQBPNNGJIOB-SNVBAGLBSA-N -2 0 371.367 0.657 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)NCC(C)(C)C(=O)[O-] ZINC001598970526 998505474 /nfs/dbraw/zinc/50/54/74/998505474.db2.gz PSAQCFPCTZKUKQ-UHFFFAOYSA-N -2 0 359.356 0.561 20 0 FCADRL COCCn1ccc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])n1 ZINC001599271658 998553447 /nfs/dbraw/zinc/55/34/47/998553447.db2.gz NMUKDTPKJDCBFN-UHFFFAOYSA-N -2 0 359.385 0.408 20 0 FCADRL COc1ccc(Br)cc1C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001599477265 998553870 /nfs/dbraw/zinc/55/38/70/998553870.db2.gz YKODLGZOHAMBOK-ZCFIWIBFSA-N -2 0 366.189 0.990 20 0 FCADRL COCCn1cc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(C)n1 ZINC001599272294 998560052 /nfs/dbraw/zinc/56/00/52/998560052.db2.gz YEHKTBKATJNGMM-UHFFFAOYSA-N -2 0 367.383 0.655 20 0 FCADRL COc1ccc(C(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cc1 ZINC001599478781 998574975 /nfs/dbraw/zinc/57/49/75/998574975.db2.gz UPNDTKJYCSWLED-SNVBAGLBSA-N -2 0 357.384 0.825 20 0 FCADRL COC(=O)c1ccc(Cl)c(NC(=O)C(=O)[N-]OCCCC(=O)[O-])c1 ZINC001598976823 998607889 /nfs/dbraw/zinc/60/78/89/998607889.db2.gz OYHNIVNHVXGHFW-UHFFFAOYSA-N -2 0 358.734 0.978 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)cc1OC ZINC001598990891 998736286 /nfs/dbraw/zinc/73/62/86/998736286.db2.gz RWNUZGJJCGSLEY-UHFFFAOYSA-N -2 0 367.339 0.771 20 0 FCADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C1 ZINC001594210717 998819145 /nfs/dbraw/zinc/81/91/45/998819145.db2.gz UODFCVVWMFTEKC-MWLCHTKSSA-N -2 0 366.345 0.961 20 0 FCADRL COC(=O)c1oc(CNS(=O)(=O)c2cc(C(=O)[O-])ccn2)cc1C ZINC001599017500 998951209 /nfs/dbraw/zinc/95/12/09/998951209.db2.gz JLFCSDDGACPKPP-UHFFFAOYSA-N -2 0 354.340 0.946 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](Cc1ccncc1)C(=O)[O-] ZINC001599017912 998954625 /nfs/dbraw/zinc/95/46/25/998954625.db2.gz RWIBGXGHLLKTFO-SECBINFHSA-N -2 0 371.396 0.299 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])n1 ZINC001599018089 998955633 /nfs/dbraw/zinc/95/56/33/998955633.db2.gz WRRJOFNTXHDKHX-UHFFFAOYSA-N -2 0 357.369 0.753 20 0 FCADRL CO[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1cnn(C)c1 ZINC001599029420 999039466 /nfs/dbraw/zinc/03/94/66/999039466.db2.gz ZKXBPLBUXVQKJX-CYBMUJFWSA-N -2 0 367.383 0.452 20 0 FCADRL CO[C@H](C[C@@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)C(=O)[O-])C1CC1 ZINC001599043115 999132114 /nfs/dbraw/zinc/13/21/14/999132114.db2.gz IJDMISOBGLBSRO-NXEZZACHSA-N -2 0 363.413 0.993 20 0 FCADRL CO[C@@H](CNS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-])CC(=O)[O-] ZINC001599054918 999222588 /nfs/dbraw/zinc/22/25/88/999222588.db2.gz DXJHMZLREUPIJX-SECBINFHSA-N -2 0 368.367 0.701 20 0 FCADRL C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CC[C@@H]1C(=O)[O-] ZINC001594454404 999656566 /nfs/dbraw/zinc/65/65/66/999656566.db2.gz NJCGUEIAVQVIJS-RISCZKNCSA-N -2 0 362.382 0.912 20 0 FCADRL C[C@H]1CN(C(=O)C(=O)NCc2ccc(C(=O)[O-])s2)CC[C@H]1C(=O)[O-] ZINC001594457736 999662843 /nfs/dbraw/zinc/66/28/43/999662843.db2.gz JHSPVQVARJBHNE-WCBMZHEXSA-N -2 0 354.384 0.632 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c(C)cc1F ZINC000291854208 214060522 /nfs/dbraw/zinc/06/05/22/214060522.db2.gz JCAIXRGAKAILLW-VIFPVBQESA-N -2 0 363.319 0.127 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-] ZINC000297001991 214373358 /nfs/dbraw/zinc/37/33/58/214373358.db2.gz QZRCRJOEPKMTHE-YFKPBYRVSA-N -2 0 363.735 0.330 20 0 FCADRL COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000296995128 214374346 /nfs/dbraw/zinc/37/43/46/214374346.db2.gz QNTJPTPUXMJVOM-SECBINFHSA-N -2 0 371.289 0.920 20 0 FCADRL Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cnc1Cl ZINC000275103820 211963629 /nfs/dbraw/zinc/96/36/29/211963629.db2.gz LZLSLFIWWOCNAT-VHSXEESVSA-N -2 0 362.791 0.839 20 0 FCADRL C[C@H]1Cc2cc(S(=O)(=O)N3CC[C@](CC(=O)[O-])(C(=O)[O-])C3)ccc2O1 ZINC000275141366 211970471 /nfs/dbraw/zinc/97/04/71/211970471.db2.gz QISCPJVPXLTYDQ-MGPLVRAMSA-N -2 0 369.395 0.950 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cc1F ZINC000275126670 211966993 /nfs/dbraw/zinc/96/69/93/211966993.db2.gz OSVLYWNWWRMFEX-CQSZACIVSA-N -2 0 361.347 0.774 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1sccc1Br)C(=O)[O-] ZINC000275046963 211953087 /nfs/dbraw/zinc/95/30/87/211953087.db2.gz WMXIEDODJGCXJW-RXMQYKEDSA-N -2 0 372.218 0.964 20 0 FCADRL COc1cccc(OC)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000275076327 211958504 /nfs/dbraw/zinc/95/85/04/211958504.db2.gz HUSOHWMZDMKYET-ZJUUUORDSA-N -2 0 373.383 0.500 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccc(OCC(F)F)cc1)C(=O)[O-] ZINC000275028785 211949838 /nfs/dbraw/zinc/94/98/38/211949838.db2.gz TXGDULSXOBXLQE-MRVPVSSYSA-N -2 0 367.326 0.784 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)Cc2noc3ccccc32)C[C@@H]1C(=O)[O-] ZINC000274975671 211942016 /nfs/dbraw/zinc/94/20/16/211942016.db2.gz CUINZUJTNDJWKT-KOLCDFICSA-N -2 0 368.367 0.765 20 0 FCADRL CCOC(=O)c1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])ccc1F ZINC000274915674 211928872 /nfs/dbraw/zinc/92/88/72/211928872.db2.gz LPTRMNAIPVGDRS-JTQLQIEISA-N -2 0 363.319 0.209 20 0 FCADRL CSc1nc(=NC(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)s[n-]1 ZINC000417761980 245721618 /nfs/dbraw/zinc/72/16/18/245721618.db2.gz LBCUCKRNTMXXLQ-JGVFFNPUSA-N -2 0 373.460 0.514 20 0 FCADRL Cc1nc(=NC(=O)c2cccc(C(=O)N=c3nc(C)[n-]s3)n2)s[n-]1 ZINC000440299036 248171824 /nfs/dbraw/zinc/17/18/24/248171824.db2.gz XIVJBKLDIZWSNF-UHFFFAOYSA-N -2 0 361.412 0.750 20 0 FCADRL CCS(=O)(=O)c1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000485055132 250561216 /nfs/dbraw/zinc/56/12/16/250561216.db2.gz NQZNKISDARFIGO-UHFFFAOYSA-N -2 0 373.412 0.713 20 0 FCADRL Cn1ncc(Cl)c1S(=O)(=O)[N-]c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000326254513 488914054 /nfs/dbraw/zinc/91/40/54/488914054.db2.gz PKWLGQQLYYSDJA-UHFFFAOYSA-N -2 0 372.790 0.689 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000326652632 488916341 /nfs/dbraw/zinc/91/63/41/488916341.db2.gz YJMSXIGNJAXPTJ-UHFFFAOYSA-N -2 0 356.335 0.267 20 0 FCADRL COc1ccc(OC)c(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1 ZINC000327034487 488918056 /nfs/dbraw/zinc/91/80/56/488918056.db2.gz JCSQMUFXAXUMPU-QWRGUYRKSA-N -2 0 373.383 0.500 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cc1C(N)=O ZINC000327400143 488919816 /nfs/dbraw/zinc/91/98/16/488919816.db2.gz UTSFSGVEHLPZSU-UHFFFAOYSA-N -2 0 366.351 0.999 20 0 FCADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)cn1 ZINC000023990346 487641777 /nfs/dbraw/zinc/64/17/77/487641777.db2.gz GAZVLEOIARMMJE-UHFFFAOYSA-N -2 0 365.367 0.705 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000262469474 488571935 /nfs/dbraw/zinc/57/19/35/488571935.db2.gz ZMJVSIRTWKFNDE-NSHDSACASA-N -2 0 356.400 0.764 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000262700749 488587110 /nfs/dbraw/zinc/58/71/10/488587110.db2.gz YTUZTEBRUUZSHI-GFCCVEGCSA-N -2 0 357.370 0.956 20 0 FCADRL CS(=O)(=O)[N-]c1ccccc1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000262867541 488597501 /nfs/dbraw/zinc/59/75/01/488597501.db2.gz WCQNQWXHPDZZPO-UHFFFAOYSA-N -2 0 356.400 0.669 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@@H](C)CC(=O)[O-])c1 ZINC000262991300 488602150 /nfs/dbraw/zinc/60/21/50/488602150.db2.gz OJODAXQUPBPVFP-QMMMGPOBSA-N -2 0 357.388 0.610 20 0 FCADRL Cc1cc(C(=O)Nc2ccn(CC(=O)N(C)C)n2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000266803950 488732119 /nfs/dbraw/zinc/73/21/19/488732119.db2.gz FVWGRZHAZMUXSN-UHFFFAOYSA-N -2 0 371.357 0.281 20 0 FCADRL Nc1ncc(Cl)cc1S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000274953699 488747577 /nfs/dbraw/zinc/74/75/77/488747577.db2.gz ARNCAIKCQIWWRT-LBPRGKRZSA-N -2 0 363.779 0.257 20 0 FCADRL CC[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(=O)[O-] ZINC000274956577 488747814 /nfs/dbraw/zinc/74/78/14/488747814.db2.gz UJQLLFLMUIQNTO-RXMQYKEDSA-N -2 0 361.850 0.947 20 0 FCADRL Cc1c(Br)cccc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-] ZINC000274970837 488749359 /nfs/dbraw/zinc/74/93/59/488749359.db2.gz WJVPLHGCJONHAN-MRVPVSSYSA-N -2 0 366.189 0.964 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)Cc2noc3ccccc32)C[C@H]1C(=O)[O-] ZINC000274975668 488749651 /nfs/dbraw/zinc/74/96/51/488749651.db2.gz CUINZUJTNDJWKT-GXSJLCMTSA-N -2 0 368.367 0.765 20 0 FCADRL COCc1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1 ZINC000274993564 488751451 /nfs/dbraw/zinc/75/14/51/488751451.db2.gz FMITYLGFJPCELW-QWHCGFSZSA-N -2 0 357.384 0.629 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] ZINC000275009133 488753013 /nfs/dbraw/zinc/75/30/13/488753013.db2.gz PMURUZQGNSOMIU-RXMQYKEDSA-N -2 0 357.171 0.842 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000275028654 488754834 /nfs/dbraw/zinc/75/48/34/488754834.db2.gz TUNUHYJQEKSHDZ-SNVBAGLBSA-N -2 0 359.356 0.317 20 0 FCADRL CC(=O)Nc1cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])ccc1C ZINC000275047228 488756411 /nfs/dbraw/zinc/75/64/11/488756411.db2.gz HRFUEUATEVPBDM-NSHDSACASA-N -2 0 358.372 0.550 20 0 FCADRL O=C([O-])[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000275045393 488756520 /nfs/dbraw/zinc/75/65/20/488756520.db2.gz WGTYQYWHXMHJCL-LLVKDONJSA-N -2 0 350.343 0.029 20 0 FCADRL CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000275250271 488776748 /nfs/dbraw/zinc/77/67/48/488776748.db2.gz HSUNLXYZQCRPJC-SSDOTTSWSA-N -2 0 356.360 0.167 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]c2cc3c(c(C(=O)[O-])c2)OCCO3)cn1C ZINC000267317671 488777344 /nfs/dbraw/zinc/77/73/44/488777344.db2.gz CFPRLAACSNSZLD-UHFFFAOYSA-N -2 0 353.356 0.999 20 0 FCADRL C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000364803065 489003771 /nfs/dbraw/zinc/00/37/71/489003771.db2.gz BFEONIAUXFPSTP-ZDUSSCGKSA-N -2 0 354.344 0.064 20 0 FCADRL Cc1cc(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)on1 ZINC000349568129 489316847 /nfs/dbraw/zinc/31/68/47/489316847.db2.gz OCHZEWODCUKPEE-UHFFFAOYSA-N -2 0 364.405 0.222 20 0 FCADRL CC(C)(C)c1cc(CS(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)no1 ZINC000563712924 491264915 /nfs/dbraw/zinc/26/49/15/491264915.db2.gz FCEJMHPOLDBXKL-WDEREUQCSA-N -2 0 374.415 0.909 20 0 FCADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000489427615 489711137 /nfs/dbraw/zinc/71/11/37/489711137.db2.gz GJFVJASMQUKTDU-UHFFFAOYSA-N -2 0 373.412 0.631 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1C(N)=O ZINC000474391209 489760564 /nfs/dbraw/zinc/76/05/64/489760564.db2.gz LLLVMPKYMAVLAI-UHFFFAOYSA-N -2 0 357.369 0.750 20 0 FCADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1S(N)(=O)=O ZINC000491089130 489795700 /nfs/dbraw/zinc/79/57/00/489795700.db2.gz DGZSQKLLCFUFEM-UHFFFAOYSA-N -2 0 373.412 0.480 20 0 FCADRL COC(=O)Cn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1C ZINC000475839744 489853860 /nfs/dbraw/zinc/85/38/60/489853860.db2.gz WYSXQVCRVDHPFQ-UHFFFAOYSA-N -2 0 356.360 0.202 20 0 FCADRL Cn1nccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000476389246 489884181 /nfs/dbraw/zinc/88/41/81/489884181.db2.gz WLNBSJZOLHQBSS-UHFFFAOYSA-N -2 0 359.385 0.323 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c(F)c1 ZINC000564199121 491293115 /nfs/dbraw/zinc/29/31/15/491293115.db2.gz RMMLBRBLOXRWGG-MRVPVSSYSA-N -2 0 363.319 0.066 20 0 FCADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccn(CC(N)=O)n1 ZINC000479333352 490083637 /nfs/dbraw/zinc/08/36/37/490083637.db2.gz HWAIUZVQXUXHSZ-UHFFFAOYSA-N -2 0 372.790 0.829 20 0 FCADRL CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2C(=O)[O-])cn1C ZINC000392731999 490155745 /nfs/dbraw/zinc/15/57/45/490155745.db2.gz PNCFMOCMEXYSPP-UHFFFAOYSA-N -2 0 367.383 0.892 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1C ZINC000507939315 490279861 /nfs/dbraw/zinc/27/98/61/490279861.db2.gz UXQILXRJJFIRGM-UHFFFAOYSA-N -2 0 366.399 0.745 20 0 FCADRL CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)[N-]c1c[nH]cn1 ZINC000564560283 491314065 /nfs/dbraw/zinc/31/40/65/491314065.db2.gz ACPFIRUZZFZLJX-UHFFFAOYSA-N -2 0 360.417 0.981 20 0 FCADRL CCS(=O)(=O)c1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cn[nH]c2)c1 ZINC000448130992 490314312 /nfs/dbraw/zinc/31/43/12/490314312.db2.gz UWLHQKTXCUOAQG-UHFFFAOYSA-N -2 0 359.385 0.702 20 0 FCADRL CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1C ZINC000547552315 490316019 /nfs/dbraw/zinc/31/60/19/490316019.db2.gz DEWYXHFKMYDNTF-QMMMGPOBSA-N -2 0 362.360 0.014 20 0 FCADRL O=C([O-])C1(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCCC1 ZINC000547578282 490323550 /nfs/dbraw/zinc/32/35/50/490323550.db2.gz GRQZTFWRGQSKHF-UHFFFAOYSA-N -2 0 368.371 0.359 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C(=O)[O-] ZINC000547593020 490325150 /nfs/dbraw/zinc/32/51/50/490325150.db2.gz MQLYLZORMMGZFZ-NKWVEPMBSA-N -2 0 364.357 0.452 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(=O)N(C)C)c1 ZINC000467748490 490337472 /nfs/dbraw/zinc/33/74/72/490337472.db2.gz YSTSSVOEMADAFT-UHFFFAOYSA-N -2 0 356.360 0.372 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)COC3)C[C@@H]1C(=O)[O-] ZINC000547921220 490386941 /nfs/dbraw/zinc/38/69/41/490386941.db2.gz GDLCKZOPZFMRRB-OLZOCXBDSA-N -2 0 355.368 0.513 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cn1 ZINC000484579627 490443292 /nfs/dbraw/zinc/44/32/92/490443292.db2.gz AFCMBTZLGUBURV-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL COC(=O)c1csc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000548267175 490454188 /nfs/dbraw/zinc/45/41/88/490454188.db2.gz WIMWAPYFPLOAHG-GFCCVEGCSA-N -2 0 365.385 0.379 20 0 FCADRL Cn1cnc2cc(S(=O)(=O)N3CC[C@](CC(=O)[O-])(C(=O)[O-])C3)ccc21 ZINC000548578593 490509507 /nfs/dbraw/zinc/50/95/07/490509507.db2.gz TZRUDFACGMYIAJ-OAHLLOKOSA-N -2 0 367.383 0.513 20 0 FCADRL C[C@@](CNS(=O)(=O)c1ccc(Br)o1)(CC(=O)[O-])C(=O)[O-] ZINC000548588088 490513715 /nfs/dbraw/zinc/51/37/15/490513715.db2.gz HDMIHSGQAUZUPI-JTQLQIEISA-N -2 0 370.177 0.886 20 0 FCADRL C[C@@](CNS(=O)(=O)c1cc(F)c(F)cc1F)(CC(=O)[O-])C(=O)[O-] ZINC000548594967 490514420 /nfs/dbraw/zinc/51/44/20/490514420.db2.gz KEFUIKKSMRKZKI-LBPRGKRZSA-N -2 0 355.290 0.948 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cn1 ZINC000485256816 490519534 /nfs/dbraw/zinc/51/95/34/490519534.db2.gz DMMWCJYOAQNPJZ-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1 ZINC000538094491 490710288 /nfs/dbraw/zinc/71/02/88/490710288.db2.gz YIWWXNYUWDCZPY-UHFFFAOYSA-N -2 0 352.372 0.902 20 0 FCADRL C[C@@H](COC1CCCC1)CS(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000565054414 491348663 /nfs/dbraw/zinc/34/86/63/491348663.db2.gz LACSCHLDUCRRML-JQWIXIFHSA-N -2 0 351.421 0.819 20 0 FCADRL CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c1 ZINC000540294945 490814425 /nfs/dbraw/zinc/81/44/25/490814425.db2.gz WOSCTMTUBPQGSB-UHFFFAOYSA-N -2 0 373.412 0.713 20 0 FCADRL Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c(O)c1 ZINC000542650121 490903174 /nfs/dbraw/zinc/90/31/74/490903174.db2.gz LVIINBSWPKRMQI-GFCCVEGCSA-N -2 0 358.402 0.740 20 0 FCADRL Cc1[nH]nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1C(N)=O ZINC000543711058 490942979 /nfs/dbraw/zinc/94/29/79/490942979.db2.gz LAQFGCLPIREXPW-UHFFFAOYSA-N -2 0 352.372 0.933 20 0 FCADRL O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1cc(=O)n2[n-]cnc2n1 ZINC000544742561 490978663 /nfs/dbraw/zinc/97/86/63/490978663.db2.gz UPANYWOPTSGPCL-UHFFFAOYSA-N -2 0 353.367 0.534 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)CCc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000573124656 491414325 /nfs/dbraw/zinc/41/43/25/491414325.db2.gz DWMYSNVKERLEDX-LBPRGKRZSA-N -2 0 357.384 0.401 20 0 FCADRL CCC(C)(C)[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000566240013 491429261 /nfs/dbraw/zinc/42/92/61/491429261.db2.gz CEWPBRBSXHKBOZ-VIFPVBQESA-N -2 0 370.387 0.604 20 0 FCADRL CN(C)C(=O)c1ccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc1 ZINC000566800318 491467958 /nfs/dbraw/zinc/46/79/58/491467958.db2.gz RIBUXXUKKOXYEQ-GFCCVEGCSA-N -2 0 372.399 0.375 20 0 FCADRL C[C@@](CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2)(CC(=O)[O-])C(=O)[O-] ZINC000574619575 491508464 /nfs/dbraw/zinc/50/84/64/491508464.db2.gz UHMJWWMALJWQPC-AWEZNQCLSA-N -2 0 356.356 0.025 20 0 FCADRL CC(=O)NCCN(C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)[C@H](C)C(=O)[O-] ZINC000575045846 491535607 /nfs/dbraw/zinc/53/56/07/491535607.db2.gz UWKUBQYWYBWLFS-SECBINFHSA-N -2 0 362.342 0.081 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc2c(c1)OC(F)(F)O2)C(=O)[O-] ZINC000568517805 491582234 /nfs/dbraw/zinc/58/22/34/491582234.db2.gz BUXGLPFRQWDPMU-ZCFIWIBFSA-N -2 0 353.255 0.214 20 0 FCADRL COCCOc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1C ZINC000561544235 491615450 /nfs/dbraw/zinc/61/54/50/491615450.db2.gz SJGGLUDMDAUIFY-NSHDSACASA-N -2 0 361.372 0.226 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCOCC2CCCC2)C1 ZINC000576568473 491625371 /nfs/dbraw/zinc/62/53/71/491625371.db2.gz ZJTISSHSVYMROA-OAHLLOKOSA-N -2 0 363.432 0.774 20 0 FCADRL C[C@@H]1CCN(C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)C[C@@H]1C(=O)[O-] ZINC000569457012 491663160 /nfs/dbraw/zinc/66/31/60/491663160.db2.gz QERGUTWJNLGQBM-SBOFIZKASA-N -2 0 359.382 0.924 20 0 FCADRL COC(=O)Cc1cccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000578408400 491676703 /nfs/dbraw/zinc/67/67/03/491676703.db2.gz ZTMADQVJGYWWME-HNNXBMFYSA-N -2 0 373.383 0.246 20 0 FCADRL CC[C@H](C)N(CC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000578867960 491686065 /nfs/dbraw/zinc/68/60/65/491686065.db2.gz JHEBWMINYIAROA-VIFPVBQESA-N -2 0 364.370 0.955 20 0 FCADRL COCCOc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000590264344 491771543 /nfs/dbraw/zinc/77/15/43/491771543.db2.gz IDDWARVSZKPTJU-UHFFFAOYSA-N -2 0 355.372 0.944 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)CCOCc2ccccc2)C[C@H]1C(=O)[O-] ZINC000584157158 491859662 /nfs/dbraw/zinc/85/96/62/491859662.db2.gz RRVGNXSZLSNTCW-ZIAGYGMSSA-N -2 0 371.411 0.640 20 0 FCADRL COC(=O)c1cc(C)ccc1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000614327666 492024708 /nfs/dbraw/zinc/02/47/08/492024708.db2.gz VLURCNCHHAAPEY-SNVBAGLBSA-N -2 0 359.356 0.378 20 0 FCADRL Cn1[n-]c(C(=O)NC[C@@H](NC(=O)c2cc(=O)n(C)[n-]2)C(C)(C)C)cc1=O ZINC000614404729 492028139 /nfs/dbraw/zinc/02/81/39/492028139.db2.gz JMGBKAXXFQHPEC-LLVKDONJSA-N -2 0 364.406 0.139 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cn1 ZINC000609575489 492214725 /nfs/dbraw/zinc/21/47/25/492214725.db2.gz BPECNFOQGMYYKB-UHFFFAOYSA-N -2 0 369.355 0.564 20 0 FCADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000599914934 492216991 /nfs/dbraw/zinc/21/69/91/492216991.db2.gz UPVBZLVMWLMGNP-UHFFFAOYSA-N -2 0 352.372 0.723 20 0 FCADRL CSCC[C@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1)C(N)=O ZINC000600257861 492254123 /nfs/dbraw/zinc/25/41/23/492254123.db2.gz CXHCOOJNKBANJP-ZETCQYMHSA-N -2 0 351.388 0.081 20 0 FCADRL CC[C@H](CNC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC000649262640 492516762 /nfs/dbraw/zinc/51/67/62/492516762.db2.gz KPMSUPSYHORGCA-SNVBAGLBSA-N -2 0 371.415 0.857 20 0 FCADRL NC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC000650149511 492618125 /nfs/dbraw/zinc/61/81/25/492618125.db2.gz KLNPSODAWMHNQJ-UHFFFAOYSA-N -2 0 364.335 0.983 20 0 FCADRL Cc1cc(C(N)=O)cc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)c1 ZINC000656514014 492627374 /nfs/dbraw/zinc/62/73/74/492627374.db2.gz IHXDFLCVSMGOHT-HNNXBMFYSA-N -2 0 370.383 0.034 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)CCc2ccccc2F)C[C@@H]1C(=O)[O-] ZINC000656513975 492627568 /nfs/dbraw/zinc/62/75/68/492627568.db2.gz HGFAUSBNRVIWCN-NEPJUHHUSA-N -2 0 359.375 0.805 20 0 FCADRL COc1cc(F)c(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c(F)c1 ZINC000681578464 493189396 /nfs/dbraw/zinc/18/93/96/493189396.db2.gz DSSNGYZDTOOGND-ZDUSSCGKSA-N -2 0 367.326 0.817 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)C2Cc3ccccc3C2)CC[C@@H]1C(=O)[O-] ZINC000681590225 493193292 /nfs/dbraw/zinc/19/32/92/493193292.db2.gz FWTNTMHFILRBOK-KBPBESRZSA-N -2 0 353.396 0.591 20 0 FCADRL COc1ccc(Cl)cc1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000683729195 493368476 /nfs/dbraw/zinc/36/84/76/493368476.db2.gz BHNLITNZRMZWBA-MRVPVSSYSA-N -3 0 351.764 0.945 20 0 FCADRL Cc1n[nH]cc1S(=O)(=O)N[C@@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684562234 493419092 /nfs/dbraw/zinc/41/90/92/493419092.db2.gz UGNDIHKQPGJVIA-LBPRGKRZSA-N -2 0 367.383 0.319 20 0 FCADRL CCCN(C)S(=O)(=O)N[C@@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684562354 493419161 /nfs/dbraw/zinc/41/91/61/493419161.db2.gz UWUFBZZWGVNVDB-ZDUSSCGKSA-N -2 0 358.416 0.486 20 0 FCADRL COCC[C@H](C)S(=O)(=O)N[C@@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684561792 493419288 /nfs/dbraw/zinc/41/92/88/493419288.db2.gz MHKCCFAUPVBILI-FZMZJTMJSA-N -2 0 373.427 0.654 20 0 FCADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000663115476 493572241 /nfs/dbraw/zinc/57/22/41/493572241.db2.gz CCSNGWIJYLZGFU-GXFFZTMASA-N -2 0 354.403 0.657 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2cccc(OCC(N)=O)c2)cc1C(=O)[O-] ZINC000326959369 546511394 /nfs/dbraw/zinc/51/13/94/546511394.db2.gz CNMGJEFZULOLEF-UHFFFAOYSA-N -2 0 367.383 0.871 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-]CCSC[C@H](C)C(=O)[O-] ZINC000592447326 546646904 /nfs/dbraw/zinc/64/69/04/546646904.db2.gz BZXQVXQWBPXECR-ZETCQYMHSA-N -2 0 368.458 0.662 20 0 FCADRL CCOC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)[nH]n1 ZINC000546595478 547042712 /nfs/dbraw/zinc/04/27/12/547042712.db2.gz SZAUDMFJSOHTPK-UHFFFAOYSA-N -2 0 355.328 0.791 20 0 FCADRL C[C@H](CC(=O)N(C)CCC(=O)[O-])NS(=O)(=O)c1cccnc1Cl ZINC000769542811 597060029 /nfs/dbraw/zinc/06/00/29/597060029.db2.gz UZMWHATVJGKOSG-SECBINFHSA-N -2 0 363.823 0.725 20 0 FCADRL O=C([O-])CSCC(=O)[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000740486906 597106512 /nfs/dbraw/zinc/10/65/12/597106512.db2.gz QYIVPHJIYGRQBZ-UHFFFAOYSA-N -2 0 358.372 0.997 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cn1 ZINC000818506954 597315266 /nfs/dbraw/zinc/31/52/66/597315266.db2.gz SLQCHKMKQRRTFO-UHFFFAOYSA-N -2 0 353.356 0.484 20 0 FCADRL CC(C)(CCC(=O)[O-])NC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000819940416 598195642 /nfs/dbraw/zinc/19/56/42/598195642.db2.gz BDMHWQFVXOABBZ-UHFFFAOYSA-N -2 0 372.399 0.423 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)ccc1OCC(=O)[O-] ZINC000738477711 599738330 /nfs/dbraw/zinc/73/83/30/599738330.db2.gz CJOOJDOTHZXEHA-UHFFFAOYSA-N -3 0 369.355 0.540 20 0 FCADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1F ZINC000739826256 599738374 /nfs/dbraw/zinc/73/83/74/599738374.db2.gz MKCNHHFTRCVBHP-UHFFFAOYSA-N -3 0 373.318 0.371 20 0 FCADRL COCCOc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1 ZINC000737821112 599738834 /nfs/dbraw/zinc/73/88/34/599738834.db2.gz NUODNHGSTDKERA-UHFFFAOYSA-N -2 0 355.372 0.794 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1C(=O)[O-] ZINC000738069910 599738876 /nfs/dbraw/zinc/73/88/76/599738876.db2.gz OWTSATGRCCJWCT-UHFFFAOYSA-N -3 0 355.328 0.475 20 0 FCADRL Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1 ZINC000738659768 599739413 /nfs/dbraw/zinc/73/94/13/599739413.db2.gz DMKQDFPUPORWBF-UHFFFAOYSA-N -2 0 373.412 0.480 20 0 FCADRL COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NC[C@@H](C)C(=O)[O-])cc2)[n-]1 ZINC000737626974 599773586 /nfs/dbraw/zinc/77/35/86/599773586.db2.gz CNAUQGCKMGDKEM-SNVBAGLBSA-N -2 0 361.354 0.332 20 0 FCADRL Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000738933964 599793207 /nfs/dbraw/zinc/79/32/07/599793207.db2.gz LOOBYBJQIIPKNS-UHFFFAOYSA-N -2 0 360.351 0.855 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)CCN2CCCC2=O)cc1 ZINC000739245173 599793696 /nfs/dbraw/zinc/79/36/96/599793696.db2.gz XJGLYUFTRPKQPU-UHFFFAOYSA-N -2 0 354.384 0.343 20 0 FCADRL COC(=O)CSCCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000737628277 599800690 /nfs/dbraw/zinc/80/06/90/599800690.db2.gz OSOXRNYNGODIHG-UHFFFAOYSA-N -2 0 361.397 0.486 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1C(N)=O ZINC000325889601 599854232 /nfs/dbraw/zinc/85/42/32/599854232.db2.gz RKODETSDUVPCJH-UHFFFAOYSA-N -2 0 351.384 0.942 20 0 FCADRL COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)[C@H](NC(=O)[O-])C(C)C ZINC000737724257 599883997 /nfs/dbraw/zinc/88/39/97/599883997.db2.gz XFVHKLFXLZGPPC-MRVPVSSYSA-N -2 0 364.401 0.632 20 0 FCADRL CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000738149552 599965659 /nfs/dbraw/zinc/96/56/59/599965659.db2.gz HSZMBPVDDOAJTD-UHFFFAOYSA-N -2 0 363.413 0.156 20 0 FCADRL CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1nc(CC(=O)[O-])cs1 ZINC000737154698 600051586 /nfs/dbraw/zinc/05/15/86/600051586.db2.gz IOQHHCDCZONDMQ-UHFFFAOYSA-N -2 0 360.373 0.471 20 0 FCADRL Cc1cccc(S(=O)(=O)[N-]c2cnn(CC(=O)N(C)C)c2)c1C(=O)[O-] ZINC000738745958 600099552 /nfs/dbraw/zinc/09/95/52/600099552.db2.gz AHNAVHHOKNDCFC-UHFFFAOYSA-N -2 0 366.399 0.779 20 0 FCADRL O=C([O-])c1n[nH]c2ccc(NC(=O)Cn3[n-]cc4c(=O)ncnc3-4)cc21 ZINC000739355011 600150932 /nfs/dbraw/zinc/15/09/32/600150932.db2.gz BWZWLJDFEARANC-UHFFFAOYSA-N -2 0 353.298 0.284 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000737688119 600151066 /nfs/dbraw/zinc/15/10/66/600151066.db2.gz IRAMVNQUHUXSKZ-UHFFFAOYSA-N -2 0 371.309 0.195 20 0 FCADRL CC[C@](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)(C(=O)[O-])c1ccccc1 ZINC000736911723 600202379 /nfs/dbraw/zinc/20/23/79/600202379.db2.gz WKDNDWFCEQZCAT-QGZVFWFLSA-N -2 0 355.354 0.578 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)N2CCc3cc(C(=O)[O-])ccc32)c1C(=O)[O-] ZINC000738829947 600231131 /nfs/dbraw/zinc/23/11/31/600231131.db2.gz UUFAAEBALQJVLH-UHFFFAOYSA-N -2 0 351.340 0.866 20 0 FCADRL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)ccc1F ZINC000736161442 600255100 /nfs/dbraw/zinc/25/51/00/600255100.db2.gz SAUJPSGDNIPBHM-UHFFFAOYSA-N -2 0 356.335 0.866 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NCC3)c1C(=O)[O-] ZINC000738337575 600302761 /nfs/dbraw/zinc/30/27/61/600302761.db2.gz METTXSCWPRQLFQ-UHFFFAOYSA-N -2 0 350.356 0.503 20 0 FCADRL O=C([O-])[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000740303906 600360145 /nfs/dbraw/zinc/36/01/45/600360145.db2.gz NPTPQMPHJGCUGI-AWEZNQCLSA-N -2 0 364.789 0.486 20 0 FCADRL Cc1cccc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)c1C(=O)[O-] ZINC000738746387 600392683 /nfs/dbraw/zinc/39/26/83/600392683.db2.gz YJGVZRSJMIXDCN-UHFFFAOYSA-N -2 0 352.372 0.566 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cc2)cc1C(N)=O ZINC000738651578 600440484 /nfs/dbraw/zinc/44/04/84/600440484.db2.gz CXIKIHZJENOKQT-UHFFFAOYSA-N -2 0 362.363 0.911 20 0 FCADRL C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736096728 600460317 /nfs/dbraw/zinc/46/03/17/600460317.db2.gz JBWHZTWVNJFUAO-NSHDSACASA-N -2 0 366.395 0.812 20 0 FCADRL Cc1ccccc1[C@@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])NC(N)=O ZINC000738758644 600461559 /nfs/dbraw/zinc/46/15/59/600461559.db2.gz QGRAFGCBQRVXMV-GFCCVEGCSA-N -2 0 371.415 0.405 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000739695606 600462114 /nfs/dbraw/zinc/46/21/14/600462114.db2.gz KJDHMBRVLYXVIT-NSHDSACASA-N -2 0 354.384 0.350 20 0 FCADRL Cc1nc2ccnn2c(C)c1CCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000738878169 600462582 /nfs/dbraw/zinc/46/25/82/600462582.db2.gz XRAYKNXTQPPBAB-UHFFFAOYSA-N -2 0 368.415 0.590 20 0 FCADRL C[C@H](NC(=O)CC1CCCCC1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736631693 600464663 /nfs/dbraw/zinc/46/46/63/600464663.db2.gz PRSCDYUCKGXLSI-NSHDSACASA-N -2 0 362.448 0.772 20 0 FCADRL Cc1c(CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])nnn1-c1ccccc1 ZINC000738289970 600465164 /nfs/dbraw/zinc/46/51/64/600465164.db2.gz XTKSXRJQUDGLTO-UHFFFAOYSA-N -2 0 366.399 0.429 20 0 FCADRL O=C([O-])[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000739549111 600518839 /nfs/dbraw/zinc/51/88/39/600518839.db2.gz RXXUSGAJQURCKX-UWVGGRQHSA-N -2 0 353.331 0.537 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)Nc3n[nH]c(CC(=O)[O-])n3)cc2[n-]c1=S ZINC000739014763 600534793 /nfs/dbraw/zinc/53/47/93/600534793.db2.gz SJAGWAKCBZVSCC-UHFFFAOYSA-N -2 0 360.355 0.220 20 0 FCADRL C[C@@H]1CCC[C@H](OCC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000736773578 600549701 /nfs/dbraw/zinc/54/97/01/600549701.db2.gz BVFVKYKJQKHZOB-YPMHNXCESA-N -2 0 362.448 0.739 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cc1C(N)=O ZINC000324762858 600576080 /nfs/dbraw/zinc/57/60/80/600576080.db2.gz ZLVHXUSYZZUXSX-UHFFFAOYSA-N -2 0 351.340 0.688 20 0 FCADRL CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736477876 600576904 /nfs/dbraw/zinc/57/69/04/600576904.db2.gz TTWKOXRJNGKJDJ-UHFFFAOYSA-N -2 0 356.400 0.885 20 0 FCADRL O=C([O-])CCN(Cc1ccccc1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833233513 600671790 /nfs/dbraw/zinc/67/17/90/600671790.db2.gz DZKIRCDUVQPCJU-UHFFFAOYSA-N -2 0 367.383 0.633 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cnn(C[C@@H]3CCCO3)c2)cn1 ZINC000324806165 600673550 /nfs/dbraw/zinc/67/35/50/600673550.db2.gz BQNKOSQRWVPQQM-NSHDSACASA-N -2 0 355.376 0.144 20 0 FCADRL CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000832703999 600673816 /nfs/dbraw/zinc/67/38/16/600673816.db2.gz PYOSTKFCOKTBDH-UHFFFAOYSA-N -2 0 374.400 0.140 20 0 FCADRL Cn1cnnc1-c1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000326920849 600674066 /nfs/dbraw/zinc/67/40/66/600674066.db2.gz RMKYINMARWUFIM-UHFFFAOYSA-N -2 0 362.371 0.564 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CC2)cn1 ZINC000392264788 600674095 /nfs/dbraw/zinc/67/40/95/600674095.db2.gz VGFRTKXFMGTAQW-UHFFFAOYSA-N -2 0 364.383 0.661 20 0 FCADRL CNC(=O)c1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1C ZINC000324902461 600674294 /nfs/dbraw/zinc/67/42/94/600674294.db2.gz QGZFKAUTPDIATE-UHFFFAOYSA-N -2 0 352.372 0.437 20 0 FCADRL CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000829804367 600674398 /nfs/dbraw/zinc/67/43/98/600674398.db2.gz VPBVFAGWANZAEW-UHFFFAOYSA-N -2 0 352.372 0.518 20 0 FCADRL COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000324883668 600675179 /nfs/dbraw/zinc/67/51/79/600675179.db2.gz MUAPKWYSAIZTIL-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cn1 ZINC000833274385 600677097 /nfs/dbraw/zinc/67/70/97/600677097.db2.gz DKSWEYLALYTTBN-UHFFFAOYSA-N -2 0 372.746 0.856 20 0 FCADRL CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000831012036 600677232 /nfs/dbraw/zinc/67/72/32/600677232.db2.gz YNKFAINGYLOGCS-UHFFFAOYSA-N -2 0 372.790 0.782 20 0 FCADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1C ZINC000831434732 600681469 /nfs/dbraw/zinc/68/14/69/600681469.db2.gz AFLXYHDSNDNOHF-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000826754834 600941166 /nfs/dbraw/zinc/94/11/66/600941166.db2.gz UBNVQDBMJCKKOB-UHFFFAOYSA-N -2 0 362.429 0.804 20 0 FCADRL C[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC000826008173 600946693 /nfs/dbraw/zinc/94/66/93/600946693.db2.gz FOGRUUAHRXQRNG-SNVBAGLBSA-N -2 0 367.387 0.212 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000833227835 600947459 /nfs/dbraw/zinc/94/74/59/600947459.db2.gz COSRIGIDMORYGE-UHFFFAOYSA-N -2 0 370.305 0.947 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC000833228149 600948597 /nfs/dbraw/zinc/94/85/97/600948597.db2.gz HUKSMZGETGUUSJ-UHFFFAOYSA-N -2 0 368.411 0.888 20 0 FCADRL O=C([O-])[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000833179210 600962170 /nfs/dbraw/zinc/96/21/70/600962170.db2.gz NOXHMWCSYNVSJC-ZJUUUORDSA-N -2 0 353.331 0.537 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccc(Br)n2)cn1 ZINC000833273932 600981497 /nfs/dbraw/zinc/98/14/97/600981497.db2.gz LMWJXKWFMWFAMB-UHFFFAOYSA-N -2 0 361.177 0.926 20 0 FCADRL CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1 ZINC000829523425 600986516 /nfs/dbraw/zinc/98/65/16/600986516.db2.gz WAVIZRMPRDMVBG-UHFFFAOYSA-N -2 0 368.371 0.730 20 0 FCADRL COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ncn(CC(=O)[O-])n1 ZINC000831226724 600987173 /nfs/dbraw/zinc/98/71/73/600987173.db2.gz OPGVAHPZFXJWET-UHFFFAOYSA-N -2 0 358.332 0.160 20 0 FCADRL CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000825828784 601192513 /nfs/dbraw/zinc/19/25/13/601192513.db2.gz NAVBGYHARMXGQB-OAHLLOKOSA-N -2 0 354.384 0.448 20 0 FCADRL Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3cc(C(=O)[O-])cs3)nc2n1 ZINC000832858515 601201256 /nfs/dbraw/zinc/20/12/56/601201256.db2.gz MHRBXDSTEIAVMC-UHFFFAOYSA-N -2 0 355.357 0.287 20 0 FCADRL NS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000324657393 601325419 /nfs/dbraw/zinc/32/54/19/601325419.db2.gz DUGULMPHABEZIP-UHFFFAOYSA-N -2 0 374.371 0.972 20 0 FCADRL CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000829648066 601597881 /nfs/dbraw/zinc/59/78/81/601597881.db2.gz BFQJIMDEEUYIOB-UHFFFAOYSA-N -2 0 362.429 0.900 20 0 FCADRL COc1ccc2c(c1)C=C(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CO2 ZINC000832486870 601599232 /nfs/dbraw/zinc/59/92/32/601599232.db2.gz AOCFVLSCTHSHMC-UHFFFAOYSA-N -2 0 355.368 0.782 20 0 FCADRL CC[C@H](NC(=O)c1ccc(-n2[n-]c(CC(=O)OC)cc2=O)cc1)C(=O)[O-] ZINC000828964810 601751995 /nfs/dbraw/zinc/75/19/95/601751995.db2.gz CVFBUQXQWPJSNH-ZDUSSCGKSA-N -2 0 361.354 0.474 20 0 FCADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H](CC(=O)[O-])C(=O)OC)n1 ZINC000830269695 601757184 /nfs/dbraw/zinc/75/71/84/601757184.db2.gz CWCTWKNVJXOMCJ-NSHDSACASA-N -2 0 361.354 0.886 20 0 FCADRL COCCN(C)S(=O)(=O)[N-]C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000831709488 601770351 /nfs/dbraw/zinc/77/03/51/601770351.db2.gz AGKWLELTZZHONK-UHFFFAOYSA-N -2 0 369.399 0.279 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)CCOC2CCOCC2)cc1 ZINC000833100562 601843380 /nfs/dbraw/zinc/84/33/80/601843380.db2.gz HUSZOHDHNZRNJH-UHFFFAOYSA-N -2 0 371.411 0.917 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc(C(=O)[O-])c1F ZINC000832904264 601984874 /nfs/dbraw/zinc/98/48/74/601984874.db2.gz CTWJBLVCMSPXEP-UHFFFAOYSA-N -3 0 357.319 0.914 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2nnc(CCC(=O)[O-])s2)nc1Cl ZINC000833055273 602154564 /nfs/dbraw/zinc/15/45/64/602154564.db2.gz FNNAZSOGJFTGCV-UHFFFAOYSA-N -2 0 351.797 0.743 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])cc1C(N)=O ZINC000832468998 602155483 /nfs/dbraw/zinc/15/54/83/602155483.db2.gz ZOSYMYSIWNRUHW-UHFFFAOYSA-N -2 0 357.369 0.750 20 0 FCADRL CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-])s1 ZINC000825876483 602186793 /nfs/dbraw/zinc/18/67/93/602186793.db2.gz ZJFJKDGLQVAFBB-MRVPVSSYSA-N -2 0 362.429 0.342 20 0 FCADRL CCCc1c(C(=O)[N-]S(=O)(=O)c2cnccn2)[nH]c(C)c1C(=O)[O-] ZINC000829562820 602201467 /nfs/dbraw/zinc/20/14/67/602201467.db2.gz ZOCGBJANDLOBGX-UHFFFAOYSA-N -2 0 352.372 0.883 20 0 FCADRL CC(C)C[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1 ZINC000736414483 602686559 /nfs/dbraw/zinc/68/65/59/602686559.db2.gz DOXJTSGUUNDRRD-SSDOTTSWSA-N -2 0 363.417 0.334 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(=O)[O-])cc1C(N)=O ZINC000738653555 602686708 /nfs/dbraw/zinc/68/67/08/602686708.db2.gz YJQDLMWWEGZJQR-LBPRGKRZSA-N -2 0 371.415 0.581 20 0 FCADRL CC(C)Oc1cccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC000833507179 604519162 /nfs/dbraw/zinc/51/91/62/604519162.db2.gz XPGMLRHNBCMHAJ-UHFFFAOYSA-N -2 0 371.415 0.640 20 0 FCADRL CCOCCC1(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCC1 ZINC000829989515 604575434 /nfs/dbraw/zinc/57/54/34/604575434.db2.gz GMWOWZMLGNZTPO-UHFFFAOYSA-N -2 0 362.448 0.741 20 0 FCADRL CC[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000830183166 604654038 /nfs/dbraw/zinc/65/40/38/604654038.db2.gz CLTZYCTUGSWTLA-VIFPVBQESA-N -2 0 352.409 0.601 20 0 FCADRL CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833737153 604689114 /nfs/dbraw/zinc/68/91/14/604689114.db2.gz BHKVOSNRGDQKFQ-UHFFFAOYSA-N -2 0 371.396 0.952 20 0 FCADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1C(=O)[O-] ZINC000833744841 605169614 /nfs/dbraw/zinc/16/96/14/605169614.db2.gz RNGRWVWBTWIRPA-UHFFFAOYSA-N -3 0 357.319 0.914 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)N[C@@H](COC)C(=O)[O-])cc2[n-]c1=S ZINC000833683170 605414967 /nfs/dbraw/zinc/41/49/67/605414967.db2.gz FJFFSUGLUMWYMJ-NSHDSACASA-N -2 0 351.384 0.535 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000788187710 665019928 /nfs/dbraw/zinc/01/99/28/665019928.db2.gz OGNKRVZTKNJBSC-QMMMGPOBSA-N -2 0 357.310 0.324 20 0 FCADRL COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])c(F)c1 ZINC000912526143 666449824 /nfs/dbraw/zinc/44/98/24/666449824.db2.gz IKQLYCIMOQBEKB-UHFFFAOYSA-N -2 0 361.282 0.974 20 0 FCADRL O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)NC3(C(=O)[O-])CC3)cc2)C1 ZINC000914792025 666797745 /nfs/dbraw/zinc/79/77/45/666797745.db2.gz ZHCWBFMOPSMCLU-SECBINFHSA-N -2 0 368.367 0.020 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)CCOC)cc2[n-]c1=S ZINC000732523742 666886726 /nfs/dbraw/zinc/88/67/26/666886726.db2.gz CVXDBDGKFSNULV-UHFFFAOYSA-N -2 0 371.440 0.411 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)CC3CC3)cc2[n-]c1=S ZINC000733703266 666927802 /nfs/dbraw/zinc/92/78/02/666927802.db2.gz KPKSXKHZTFLEFN-UHFFFAOYSA-N -2 0 353.425 0.692 20 0 FCADRL CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000916108239 666990860 /nfs/dbraw/zinc/99/08/60/666990860.db2.gz YHVWPIVDJTXDPY-UHFFFAOYSA-N -2 0 373.412 0.917 20 0 FCADRL N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000325413712 667024356 /nfs/dbraw/zinc/02/43/56/667024356.db2.gz FNXQGYJXPOGWQE-SCZZXKLOSA-N -2 0 356.331 0.493 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c(Cl)cc1Cl ZINC000918064583 667098996 /nfs/dbraw/zinc/09/89/96/667098996.db2.gz GIWDNKQWNDZKHJ-ZETCQYMHSA-N -2 0 358.155 0.415 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)nc1C ZINC000759610895 667813771 /nfs/dbraw/zinc/81/37/71/667813771.db2.gz HPTLZJBCCUYHTM-UHFFFAOYSA-N -2 0 370.353 0.473 20 0 FCADRL Cc1[nH]nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c1C(N)=O ZINC000760516719 667852755 /nfs/dbraw/zinc/85/27/55/667852755.db2.gz YJTILPBEFZXSBB-UHFFFAOYSA-N -2 0 356.335 0.764 20 0 FCADRL C[C@](O)(CNC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC000769743447 668150947 /nfs/dbraw/zinc/15/09/47/668150947.db2.gz UFOMVGTWPQRFAQ-INIZCTEOSA-N -2 0 366.395 0.777 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2cccc3nonc32)CC[C@@H]1C(=O)[O-] ZINC000776719523 668290293 /nfs/dbraw/zinc/29/02/93/668290293.db2.gz XIIBGWAEAUPETH-YUMQZZPRSA-N -2 0 355.328 0.019 20 0 FCADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)c1 ZINC000820405215 669092164 /nfs/dbraw/zinc/09/21/64/669092164.db2.gz IJCVIRJPXZLHAL-KPWVOAKYSA-N -2 0 361.441 0.285 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)c3cc[nH]n3)cc2[n-]c1=S ZINC000796881921 669134408 /nfs/dbraw/zinc/13/44/08/669134408.db2.gz IKGSTVKPWYOAMY-UHFFFAOYSA-N -2 0 365.396 0.064 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)cc1CC(=O)[O-] ZINC000821089722 669155744 /nfs/dbraw/zinc/15/57/44/669155744.db2.gz MRWNYFMHTAORSQ-UHFFFAOYSA-N -3 0 369.355 0.555 20 0 FCADRL COC(=O)CCCO[N-]C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000811560294 669760131 /nfs/dbraw/zinc/76/01/31/669760131.db2.gz KFVQDLVJIVHALE-UHFFFAOYSA-N -2 0 351.384 0.686 20 0 FCADRL Cc1cc(C)[nH]c(=NNS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC000831796139 669867805 /nfs/dbraw/zinc/86/78/05/669867805.db2.gz DNMOHBOPZAGMDQ-UHFFFAOYSA-N -2 0 366.355 0.795 20 0 FCADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000816732674 669975690 /nfs/dbraw/zinc/97/56/90/669975690.db2.gz QYPPRSPHDXMFKG-UHFFFAOYSA-N -2 0 355.236 0.673 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cncc(F)c1 ZINC000851700359 671460094 /nfs/dbraw/zinc/46/00/94/671460094.db2.gz BEYGYOOAUDKULT-VHSXEESVSA-N -2 0 363.267 0.957 20 0 FCADRL Cc1cnc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cn1 ZINC000851701326 671460899 /nfs/dbraw/zinc/46/08/99/671460899.db2.gz UESGBQHHBHUGFI-WCBMZHEXSA-N -2 0 360.292 0.521 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1csnn1 ZINC000852959269 671534213 /nfs/dbraw/zinc/53/42/13/671534213.db2.gz ZJHAIWGVAUVQCH-FSPLSTOPSA-N -2 0 352.294 0.274 20 0 FCADRL O=C([O-])C[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000853061817 671535950 /nfs/dbraw/zinc/53/59/50/671535950.db2.gz GKRJXSIXJLWVTA-VIFPVBQESA-N -2 0 363.775 0.902 20 0 FCADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])c1 ZINC000853062745 671536106 /nfs/dbraw/zinc/53/61/06/671536106.db2.gz TVROOYWBNSXWNC-VIFPVBQESA-N -2 0 361.347 0.697 20 0 FCADRL O=C([O-])C[C@H]1COCCN1S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000853062820 671536165 /nfs/dbraw/zinc/53/61/65/671536165.db2.gz UUIJEGVKICZNBC-QMMMGPOBSA-N -2 0 363.775 0.902 20 0 FCADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000863952391 672163913 /nfs/dbraw/zinc/16/39/13/672163913.db2.gz UZZSPJAXOOSLJK-UHFFFAOYSA-N -2 0 353.360 0.112 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C)nc1 ZINC000863956607 672166229 /nfs/dbraw/zinc/16/62/29/672166229.db2.gz DELJKMKIKLALQB-NSHDSACASA-N -2 0 372.399 0.810 20 0 FCADRL CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000863957905 672166829 /nfs/dbraw/zinc/16/68/29/672166829.db2.gz ITMIJAZTSKWCSN-UHFFFAOYSA-N -2 0 352.372 0.751 20 0 FCADRL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cn1 ZINC000863960812 672168355 /nfs/dbraw/zinc/16/83/55/672168355.db2.gz ACZVBCBUEXTMQD-NSHDSACASA-N -2 0 358.372 0.571 20 0 FCADRL COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000863961969 672168897 /nfs/dbraw/zinc/16/88/97/672168897.db2.gz UEGMHIJQWXNSLC-ZJUUUORDSA-N -2 0 370.383 0.100 20 0 FCADRL COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC000863962033 672168970 /nfs/dbraw/zinc/16/89/70/672168970.db2.gz DVBQCODQUJDTIN-UHFFFAOYSA-N -2 0 357.384 0.952 20 0 FCADRL COCCOc1cccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)c1 ZINC000863962272 672169215 /nfs/dbraw/zinc/16/92/15/672169215.db2.gz XAWITFNKRKXJRA-ZDUSSCGKSA-N -2 0 359.400 0.874 20 0 FCADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000863963485 672169920 /nfs/dbraw/zinc/16/99/20/672169920.db2.gz YCYMMTHXQBIFPV-AWEZNQCLSA-N -2 0 354.340 0.839 20 0 FCADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000863964384 672170428 /nfs/dbraw/zinc/17/04/28/672170428.db2.gz SOBZFHTWTKLVOB-SNVBAGLBSA-N -2 0 359.404 0.540 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000802206090 675833870 /nfs/dbraw/zinc/83/38/70/675833870.db2.gz XEJXPOVGPQNQDU-UHFFFAOYSA-N -2 0 368.337 0.091 20 0 FCADRL O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cnc(I)c([O-])c1 ZINC000902447933 675851886 /nfs/dbraw/zinc/85/18/86/675851886.db2.gz IQWUXPPRLFBWRS-IAQIWYKVSA-N -2 0 362.123 0.985 20 0 FCADRL O=C(NCCn1ccnc1)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000043311910 1195651097 /nfs/dbraw/zinc/65/10/97/1195651097.db2.gz IQAMQTIORTXSMR-UHFFFAOYSA-N -2 0 355.358 0.419 20 0 FCADRL Cc1ccc(-n2[n-]c(C(=O)N3CCSC[C@H]3c3nnn[n-]3)cc2=O)cc1 ZINC000776564025 1209529564 /nfs/dbraw/zinc/52/95/64/1209529564.db2.gz MECHNHHLMVEXLB-ZDUSSCGKSA-N -2 0 371.426 0.917 20 0 FCADRL COc1ccc(CCCOC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1OC ZINC001225072915 1225801951 /nfs/dbraw/zinc/80/19/51/1225801951.db2.gz LIJPAAMKLOJZLW-ABAIWWIYSA-N -2 0 370.354 0.716 20 0 FCADRL CC(C)COC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001226084502 1225833045 /nfs/dbraw/zinc/83/30/45/1225833045.db2.gz SHYDARJTIGPNEX-TZMCWYRMSA-N -2 0 368.338 0.941 20 0 FCADRL COc1cc(CCC(C)=O)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227530018 1225878198 /nfs/dbraw/zinc/87/81/98/1225878198.db2.gz YZFGHVCDBKYLOW-XHDPSFHLSA-N -2 0 368.338 0.659 20 0 FCADRL CCCc1c(O)ccc(C(C)=O)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228136384 1225896662 /nfs/dbraw/zinc/89/66/62/1225896662.db2.gz NSSJHZMSPYJQTP-SMDDNHRTSA-N -2 0 368.338 0.989 20 0 FCADRL CCOC(=O)COc1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228348909 1225913484 /nfs/dbraw/zinc/91/34/84/1225913484.db2.gz IOCWQJIWIOKBJR-LKFCYVNXSA-N -2 0 370.310 0.070 20 0 FCADRL CCOC(=O)CCc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001228411744 1225920554 /nfs/dbraw/zinc/92/05/54/1225920554.db2.gz MGXIUPNONSNZBY-DOMZBBRYSA-N -2 0 368.338 0.624 20 0 FCADRL COc1cccc2c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(C)nc12 ZINC001228499760 1225927704 /nfs/dbraw/zinc/92/77/04/1225927704.db2.gz BIXZWIGJZNJYRE-MEBBXXQBSA-N -2 0 363.322 0.994 20 0 FCADRL COc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(C(C)=O)cc1OC ZINC001229497581 1226014983 /nfs/dbraw/zinc/01/49/83/1226014983.db2.gz HCYCORHQNWSUON-LKFCYVNXSA-N -2 0 370.310 0.348 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(-n2ccccc2=O)cc1)[C@H](O)C(=O)[O-] ZINC001229734622 1226031293 /nfs/dbraw/zinc/03/12/93/1226031293.db2.gz YZSVNBWDBFVTSD-WFASDCNBSA-N -2 0 361.306 0.279 20 0 FCADRL COc1ccc2c(c1)[nH]c(=O)cc2OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001230686895 1226086067 /nfs/dbraw/zinc/08/60/67/1226086067.db2.gz WXNKAHOXBAGROU-LKFCYVNXSA-N -2 0 365.294 0.391 20 0 FCADRL COC(=O)C[C@H](C)c1cccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001231009234 1226094470 /nfs/dbraw/zinc/09/44/70/1226094470.db2.gz DDXGBXPQKYWLOI-UAKXVISKSA-N -2 0 368.338 0.795 20 0 FCADRL Cn1c(Cc2nn[nH]n2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001123031217 1222312556 /nfs/dbraw/zinc/31/25/56/1222312556.db2.gz NCYWIUKBMDXPGS-UHFFFAOYSA-N -2 0 368.401 0.724 20 0 FCADRL COc1cc(O)c(C)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1C(C)=O ZINC001234792708 1259564493 /nfs/dbraw/zinc/56/44/93/1259564493.db2.gz GVPCNEZPBIXXNR-AMIZOPFISA-N -2 0 370.310 0.354 20 0 FCADRL COc1cc(O)c(C)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1C(C)=O ZINC001234792737 1259564913 /nfs/dbraw/zinc/56/49/13/1259564913.db2.gz GVPCNEZPBIXXNR-SDBXPKJASA-N -2 0 370.310 0.354 20 0 FCADRL CCOC(=O)c1ccc(OC)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234758313 1259565015 /nfs/dbraw/zinc/56/50/15/1259565015.db2.gz GYOYRJCUIYZRIT-ZWNOBZJWSA-N -2 0 370.310 0.314 20 0 FCADRL O=C(NCc1nc(=O)o[n-]1)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC001337583418 1260434273 /nfs/dbraw/zinc/43/42/73/1260434273.db2.gz YPAFQNRGAJYQMV-UHFFFAOYSA-N -2 0 366.277 0.554 20 0 FCADRL C[C@](CNC(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1)(C(=O)[O-])c1ccccc1 ZINC001552397985 1268458269 /nfs/dbraw/zinc/45/82/69/1268458269.db2.gz HLXGIRVMARBRLU-MORSLUCNSA-N -2 0 362.382 0.772 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N[C@@H](CCSC)c2nnn[n-]2)c1 ZINC001557589756 1268955928 /nfs/dbraw/zinc/95/59/28/1268955928.db2.gz URLYTHAYEUTNEC-MCFWBGNESA-N -2 0 369.472 0.927 20 0 FCADRL CSCC[C@H](NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)c1nnn[n-]1 ZINC001557589072 1268955970 /nfs/dbraw/zinc/95/59/70/1268955970.db2.gz HPKRUYXLPMYKJV-NSHDSACASA-N -2 0 353.452 0.499 20 0 FCADRL CC(C)OC(=O)[C@@H](NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C(C)C ZINC001574296773 1271173205 /nfs/dbraw/zinc/17/32/05/1271173205.db2.gz LJMJEFIIJLSVDT-ZDUSSCGKSA-N -2 0 374.405 0.681 20 0 FCADRL CC(=O)Nc1ccncc1[N-]S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001603083761 1287306293 /nfs/dbraw/zinc/30/62/93/1287306293.db2.gz KHACFFYFMGVRAH-UHFFFAOYSA-N -2 0 350.356 0.664 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1c[nH]c(Br)c1 ZINC001603187709 1287325252 /nfs/dbraw/zinc/32/52/52/1287325252.db2.gz JFPDHKIWVYXWGJ-PHDIDXHHSA-N -2 0 353.194 0.946 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC001603187951 1287325097 /nfs/dbraw/zinc/32/50/97/1287325097.db2.gz LBSLUCJFUYOZHG-HBNTYKKESA-N -2 0 360.432 0.333 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC001603190312 1287326977 /nfs/dbraw/zinc/32/69/77/1287326977.db2.gz VTKOFPQYYVZSHI-ROSDIQCESA-N -2 0 355.368 0.984 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCOc1ccc2c(c1)OCO2 ZINC001603201562 1287328996 /nfs/dbraw/zinc/32/89/96/1287328996.db2.gz IOQQHULJDZODEW-VIFPVBQESA-N -2 0 359.356 0.493 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CC(F)(F)CNC(=O)OC(C)(C)C ZINC001603201879 1287329271 /nfs/dbraw/zinc/32/92/71/1287329271.db2.gz OBASGTFGZJDRMJ-SSDOTTSWSA-N -2 0 374.362 0.456 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CC(F)(F)CNC(=O)OC(C)(C)C ZINC001603201880 1287329784 /nfs/dbraw/zinc/32/97/84/1287329784.db2.gz OBASGTFGZJDRMJ-ZETCQYMHSA-N -2 0 374.362 0.456 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(CC(F)(F)F)C1)C(=O)[O-] ZINC001603659593 1287459904 /nfs/dbraw/zinc/45/99/04/1287459904.db2.gz BUIWLBFZZBCJQZ-SECBINFHSA-N -2 0 374.381 0.818 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@]1(C2CCCC2)CCNC1=O)C(=O)[O-] ZINC001603661096 1287460507 /nfs/dbraw/zinc/46/05/07/1287460507.db2.gz WOBBRSMLOSXUJI-HNNXBMFYSA-N -2 0 360.432 0.240 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)C1CN(C(=O)C2CCCCC2)C1)C(=O)[O-] ZINC001603661036 1287460626 /nfs/dbraw/zinc/46/06/26/1287460626.db2.gz VIHCRLOKEZHEDJ-UHFFFAOYSA-N -2 0 374.459 0.582 20 0 FCADRL CC(C)=CC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cc1 ZINC001603706662 1287475698 /nfs/dbraw/zinc/47/56/98/1287475698.db2.gz DKANICUNTJBHJC-UHFFFAOYSA-N -2 0 368.411 0.803 20 0 FCADRL C[C@@H]1C(=O)CC[C@@H]1CC(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001603830164 1287509868 /nfs/dbraw/zinc/50/98/68/1287509868.db2.gz GSFIRZHRIQCFHR-DTWKUNHWSA-N -2 0 371.357 0.664 20 0 FCADRL CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001603917288 1287531768 /nfs/dbraw/zinc/53/17/68/1287531768.db2.gz RBTVHXZLGUUBAZ-GFCCVEGCSA-N -2 0 364.358 0.216 20 0 FCADRL CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001603917289 1287531897 /nfs/dbraw/zinc/53/18/97/1287531897.db2.gz RBTVHXZLGUUBAZ-LBPRGKRZSA-N -2 0 364.358 0.216 20 0 FCADRL O=C(c1ncccc1O)N1CCC[C@@H]1CNc1cnc(-c2nn[nH]n2)cn1 ZINC001582751620 1281976318 /nfs/dbraw/zinc/97/63/18/1281976318.db2.gz OZOWOTRKWUPCFF-SNVBAGLBSA-N -2 0 367.373 0.474 20 0 FCADRL C[C@@H](CNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1Br)C(=O)[O-] ZINC001604170003 1287583533 /nfs/dbraw/zinc/58/35/33/1287583533.db2.gz YMZZOTNQIUHRRJ-LURJTMIESA-N -2 0 373.159 0.923 20 0 FCADRL C[C@@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001604204216 1287589329 /nfs/dbraw/zinc/58/93/29/1287589329.db2.gz YFVWKMTXNHHZEC-VIFPVBQESA-N -2 0 368.367 0.889 20 0 FCADRL C[C@@H](C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)c1cnn(C)c1 ZINC001589030584 1282781408 /nfs/dbraw/zinc/78/14/08/1282781408.db2.gz OKLAMRICSTVEFN-MRVPVSSYSA-N -2 0 369.345 0.195 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[nH]n1 ZINC001589417375 1282874113 /nfs/dbraw/zinc/87/41/13/1282874113.db2.gz AJBXLPPGQMFTAS-LLVKDONJSA-N -2 0 367.387 0.170 20 0 FCADRL CCOC(=O)CN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CC1 ZINC001604375989 1287624165 /nfs/dbraw/zinc/62/41/65/1287624165.db2.gz KRTAMYQDSJEIIU-UHFFFAOYSA-N -2 0 358.362 0.143 20 0 FCADRL C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001590224973 1283353798 /nfs/dbraw/zinc/35/37/98/1283353798.db2.gz BAXDBBIZLXUIRJ-YUMQZZPRSA-N -2 0 357.417 0.802 20 0 FCADRL CCN(CCCNC(=O)c1[nH]nc(C)c1[O-])c1ccnc(-c2nnn[n-]2)n1 ZINC001590697960 1283739773 /nfs/dbraw/zinc/73/97/73/1283739773.db2.gz ACTPJNJYAAQYEB-UHFFFAOYSA-N -2 0 372.393 0.040 20 0 FCADRL C[C@@]12CCC(=O)N1[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)CS2 ZINC001604605744 1287681226 /nfs/dbraw/zinc/68/12/26/1287681226.db2.gz LPTKWWISLJPWCK-AMIZOPFISA-N -2 0 374.396 0.237 20 0 FCADRL CO[C@@H]1CN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)[C@@](C)(C(=O)[O-])C1 ZINC001591362905 1284499478 /nfs/dbraw/zinc/49/94/78/1284499478.db2.gz RKNGLLXPPRIBLO-JVXZTZIISA-N -2 0 373.416 0.181 20 0 FCADRL COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001591421089 1284571587 /nfs/dbraw/zinc/57/15/87/1284571587.db2.gz OGMLCOLZGSOCTJ-ZETCQYMHSA-N -2 0 361.405 0.038 20 0 FCADRL Cc1cc(CC(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)no1 ZINC001591960987 1285026833 /nfs/dbraw/zinc/02/68/33/1285026833.db2.gz MLLAHIINUBHIOF-UHFFFAOYSA-N -2 0 356.302 0.197 20 0 FCADRL Cc1nscc1C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001592495143 1285424854 /nfs/dbraw/zinc/42/48/54/1285424854.db2.gz UILASIQIRXVXIB-UHFFFAOYSA-N -2 0 358.343 0.737 20 0 FCADRL O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1c([O-])cc(Cl)cc1Cl ZINC001593112230 1286010499 /nfs/dbraw/zinc/01/04/99/1286010499.db2.gz LFGHGIGTAQJMDG-UHFFFAOYSA-N -2 0 369.172 0.901 20 0 FCADRL O=C([O-])[C@@H](CC1CCC1)NS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001593276792 1286060702 /nfs/dbraw/zinc/06/07/02/1286060702.db2.gz STKOGNUUEQLTEI-MRVPVSSYSA-N -2 0 357.417 0.850 20 0 FCADRL O=C([O-])CCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001593277591 1286060898 /nfs/dbraw/zinc/06/08/98/1286060898.db2.gz DHIVOYLQAAWMOA-UHFFFAOYSA-N -2 0 371.350 0.207 20 0 FCADRL Cc1c(CCC(=O)[N-]S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cnn1C ZINC001600010934 1286424040 /nfs/dbraw/zinc/42/40/40/1286424040.db2.gz AAVIHNGSGQQKKP-UHFFFAOYSA-N -2 0 366.399 0.832 20 0 FCADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N(CCO)CCC(=O)[O-] ZINC001600014998 1286424571 /nfs/dbraw/zinc/42/45/71/1286424571.db2.gz NPPLLKYQWCOHBL-UHFFFAOYSA-N -2 0 365.791 0.804 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)cnn1CC(=O)[O-] ZINC001600055016 1286433013 /nfs/dbraw/zinc/43/30/13/1286433013.db2.gz UINGPLKCQROPRY-UHFFFAOYSA-N -2 0 373.412 0.480 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)cc(C)c1OCC(=O)[O-] ZINC001600096053 1286440323 /nfs/dbraw/zinc/44/03/23/1286440323.db2.gz APKAJPSGZPZYKD-UHFFFAOYSA-N -2 0 353.356 0.609 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)Nc3cc(C(=O)[O-])n(C)c3)cc2=O)n1 ZINC001600182052 1286450945 /nfs/dbraw/zinc/45/09/45/1286450945.db2.gz SQFSOQAUQGXEII-UHFFFAOYSA-N -2 0 356.342 0.861 20 0 FCADRL Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-] ZINC001600180779 1286451212 /nfs/dbraw/zinc/45/12/12/1286451212.db2.gz SKOJPLWGRBCCKA-ONGXEEELSA-N -2 0 368.415 0.823 20 0 FCADRL Cc1cc(CNC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)oc1C(=O)[O-] ZINC001600202418 1286452479 /nfs/dbraw/zinc/45/24/79/1286452479.db2.gz KKVOCDLSSUVMNI-UHFFFAOYSA-N -2 0 358.310 0.796 20 0 FCADRL Cc1cc(F)c(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])cc1C(=O)[O-] ZINC001600226713 1286455871 /nfs/dbraw/zinc/45/58/71/1286455871.db2.gz GCDIERCMGWJSSY-SECBINFHSA-N -2 0 361.347 0.697 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)Sc2nncn2C)oc1C(=O)[O-] ZINC001600296257 1286471456 /nfs/dbraw/zinc/47/14/56/1286471456.db2.gz VGHQTGCMWBQFIW-ZETCQYMHSA-N -2 0 374.400 0.400 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)COCc2ccccn2)oc1C(=O)[O-] ZINC001600297759 1286471687 /nfs/dbraw/zinc/47/16/87/1286471687.db2.gz UDGUFWZHAIZPMK-UHFFFAOYSA-N -2 0 354.340 0.703 20 0 FCADRL Cc1ccc(-n2cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])nn2)cc1 ZINC001600322931 1286477454 /nfs/dbraw/zinc/47/74/54/1286477454.db2.gz XMXRPIPEXGVRLE-UHFFFAOYSA-N -2 0 366.399 0.746 20 0 FCADRL Cc1ccc(-n2[n-]c(C(=O)N3CC(n4cc(C(=O)[O-])nn4)C3)cc2=O)cc1 ZINC001600321655 1286477600 /nfs/dbraw/zinc/47/76/00/1286477600.db2.gz NXIUIUQUPYITEM-UHFFFAOYSA-N -2 0 368.353 0.461 20 0 FCADRL Cc1ccc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])cc1C(=O)N(C)C ZINC001600441823 1286489177 /nfs/dbraw/zinc/48/91/77/1286489177.db2.gz OMVVVZPHQLILGQ-UHFFFAOYSA-N -2 0 351.359 0.548 20 0 FCADRL Cc1cccc(C)c1OC[C@H](O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001600523312 1286501715 /nfs/dbraw/zinc/50/17/15/1286501715.db2.gz SCQRUPPEVQVWOC-LLVKDONJSA-N -2 0 370.383 0.708 20 0 FCADRL Cc1cnn(-c2ccc(C(=O)[O-])cc2NC(=O)C(=O)N(C)CCC(=O)[O-])c1 ZINC001600632559 1286517343 /nfs/dbraw/zinc/51/73/43/1286517343.db2.gz ASEQOCHBXRIEDU-UHFFFAOYSA-N -2 0 374.353 0.751 20 0 FCADRL Cc1cnn(C[C@@H](NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C(=O)[O-])c1 ZINC001600636671 1286518688 /nfs/dbraw/zinc/51/86/88/1286518688.db2.gz LGCQHAUAWJZMRX-CYBMUJFWSA-N -2 0 367.383 0.463 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])c1C(=O)[O-] ZINC001600673443 1286524928 /nfs/dbraw/zinc/52/49/28/1286524928.db2.gz QMIUWWNFUDKHAG-SNVBAGLBSA-N -2 0 371.346 0.530 20 0 FCADRL Cc1nc(CCCNS(=O)(=O)CCCC(=O)[O-])sc1C(=O)[O-] ZINC001600698724 1286528171 /nfs/dbraw/zinc/52/81/71/1286528171.db2.gz HCBAKZSABRAAIS-UHFFFAOYSA-N -2 0 350.418 0.867 20 0 FCADRL Cc1nc(CC(C)C)oc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001600696365 1286528449 /nfs/dbraw/zinc/52/84/49/1286528449.db2.gz AXNGZXOGGPCZSO-UHFFFAOYSA-N -2 0 373.431 0.953 20 0 FCADRL Cc1nc(CC(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])c(C)s1 ZINC001600695657 1286528501 /nfs/dbraw/zinc/52/85/01/1286528501.db2.gz BAYCILPCCIKJJL-UHFFFAOYSA-N -2 0 361.426 0.962 20 0 FCADRL Cc1nc2ccccc2n1CC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-] ZINC001600729051 1286533497 /nfs/dbraw/zinc/53/34/97/1286533497.db2.gz GEUCYMCZMPTNJC-VHSXEESVSA-N -2 0 353.400 0.900 20 0 FCADRL Cc1nc2sccn2c(=O)c1CCS(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001600732780 1286534193 /nfs/dbraw/zinc/53/41/93/1286534193.db2.gz BXXZNYMPVVIJHZ-UHFFFAOYSA-N -2 0 368.396 0.502 20 0 FCADRL Cc1nnnn1-c1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])cc1 ZINC001600800695 1286547482 /nfs/dbraw/zinc/54/74/82/1286547482.db2.gz PYCCLBMAZHSRBG-DTWKUNHWSA-N -2 0 367.387 0.140 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)c1cn(CC2CC2)nn1 ZINC001600836520 1286553119 /nfs/dbraw/zinc/55/31/19/1286553119.db2.gz NXJHMYBHZXYUNX-UHFFFAOYSA-N -2 0 354.344 0.406 20 0 FCADRL Cn1cc(-c2ccc(F)c(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c2)cn1 ZINC001600922555 1286570424 /nfs/dbraw/zinc/57/04/24/1286570424.db2.gz GTSWIRMCWBZOJR-UHFFFAOYSA-N -2 0 355.347 0.761 20 0 FCADRL Cn1cc(CC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC001600948472 1286577510 /nfs/dbraw/zinc/57/75/10/1286577510.db2.gz PSRVGUBYZBXORY-UHFFFAOYSA-N -2 0 357.775 0.819 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccnn2C[C@H]2CCOC2)cc1C(=O)[O-] ZINC001600969683 1286585954 /nfs/dbraw/zinc/58/59/54/1286585954.db2.gz LSGHTADJHJFNNO-SNVBAGLBSA-N -2 0 354.388 0.757 20 0 FCADRL Cn1nccc1[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CCO1 ZINC001601036245 1286613490 /nfs/dbraw/zinc/61/34/90/1286613490.db2.gz FMZLDMUQDOCVCG-GZMMTYOYSA-N -2 0 356.360 0.305 20 0 FCADRL Cn1nccc1[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CCO1 ZINC001601036246 1286613788 /nfs/dbraw/zinc/61/37/88/1286613788.db2.gz FMZLDMUQDOCVCG-KCJUWKMLSA-N -2 0 356.360 0.305 20 0 FCADRL Cn1nnc2c1C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)CC2 ZINC001601043615 1286620360 /nfs/dbraw/zinc/62/03/60/1286620360.db2.gz VHXGQCIRIFKVCM-SECBINFHSA-N -2 0 364.383 0.123 20 0 FCADRL NC(=O)[C@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)c1ccccn1 ZINC001601138954 1286646249 /nfs/dbraw/zinc/64/62/49/1286646249.db2.gz GIMSDLQYLPRKJP-GFCCVEGCSA-N -2 0 371.321 0.563 20 0 FCADRL O=C([O-])[C@@]1(O)CCN(C(=O)CCn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC001601299107 1286714988 /nfs/dbraw/zinc/71/49/88/1286714988.db2.gz VMDBXMQUSZVGIO-MRXNPFEDSA-N -2 0 363.395 0.123 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)COc2ccc(F)cc2)CC1 ZINC001601342949 1286731770 /nfs/dbraw/zinc/73/17/70/1286731770.db2.gz GZTIOSFHZUZMPQ-UHFFFAOYSA-N -2 0 360.363 0.362 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]C(=O)Cc2ccc3c(c2)CCO3)c1 ZINC001601362394 1286733885 /nfs/dbraw/zinc/73/38/85/1286733885.db2.gz QZPQHDXYAUAJIF-UHFFFAOYSA-N -2 0 351.336 0.960 20 0 FCADRL O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001601378218 1286736749 /nfs/dbraw/zinc/73/67/49/1286736749.db2.gz ASZOPBOHAAIBHM-LBPRGKRZSA-N -2 0 359.317 0.022 20 0 FCADRL O=C([O-])[C@@H]1CCCN1Cc1cn(CC(=O)[N-]OCc2ccccc2)nn1 ZINC001601383787 1286737838 /nfs/dbraw/zinc/73/78/38/1286737838.db2.gz UDAOSDSRHMNQOC-HNNXBMFYSA-N -2 0 359.386 0.575 20 0 FCADRL O=C([O-])[C@@H](NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)c1ccsc1 ZINC001601407510 1286741288 /nfs/dbraw/zinc/74/12/88/1286741288.db2.gz ZSDHCXHYKVOMLU-NSHDSACASA-N -2 0 360.351 0.883 20 0 FCADRL O=C([O-])C1(NC(=O)c2cc(F)c([O-])c(Cl)c2)CCS(=O)(=O)CC1 ZINC001601432271 1286746508 /nfs/dbraw/zinc/74/65/08/1286746508.db2.gz FFJCFYVREZUUOX-UHFFFAOYSA-N -2 0 365.766 0.947 20 0 FCADRL O=C([O-])[C@H](CO)NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC001601564132 1286785278 /nfs/dbraw/zinc/78/52/78/1286785278.db2.gz GFXRFDDRBGBSAJ-QMMMGPOBSA-N -2 0 359.260 0.772 20 0 FCADRL O=C([O-])[C@@]1(N2CCN(S(=O)(=O)c3cc([O-])cc(F)c3)CC2)CCOC1 ZINC001601720438 1286814471 /nfs/dbraw/zinc/81/44/71/1286814471.db2.gz STZRTMXHHMQEFI-OAHLLOKOSA-N -2 0 374.390 0.081 20 0 FCADRL O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)[C@@H]3CC[C@@H](C(=O)[O-])CC3)CC2)C1 ZINC001601756991 1286824377 /nfs/dbraw/zinc/82/43/77/1286824377.db2.gz LDJKNVZGMHSXAG-JHJVBQTASA-N -2 0 366.414 0.802 20 0 FCADRL O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)C1 ZINC001601761918 1286827001 /nfs/dbraw/zinc/82/70/01/1286827001.db2.gz ATNJOSMZRPUSLW-HTQZYQBOSA-N -2 0 364.276 0.366 20 0 FCADRL O=C([O-])[C@@H]1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)[C@@H]([C@@H]2CCCO2)C1 ZINC001601821347 1286843211 /nfs/dbraw/zinc/84/32/11/1286843211.db2.gz NHIPJGHBSXZYSS-BBBLOLIVSA-N -2 0 356.404 0.473 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccsc1 ZINC001601909054 1286866099 /nfs/dbraw/zinc/86/60/99/1286866099.db2.gz XJGHBYFDXSLHAJ-NSHDSACASA-N -2 0 362.429 0.895 20 0 FCADRL O=C([O-])CCCS(=O)(=O)N1CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC001601998841 1286893711 /nfs/dbraw/zinc/89/37/11/1286893711.db2.gz JUQVZDDGSSGUJD-UHFFFAOYSA-N -2 0 360.388 0.290 20 0 FCADRL O=C([O-])CCNC(=O)CC[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC001602019618 1286904473 /nfs/dbraw/zinc/90/44/73/1286904473.db2.gz MVZKMYZGKKYEOV-UHFFFAOYSA-N -2 0 372.296 0.502 20 0 FCADRL O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCCNC(=O)c2ccc(O)cc2)O1 ZINC001602035734 1286909897 /nfs/dbraw/zinc/90/98/97/1286909897.db2.gz XMXIUTXKVFDUMW-UONOGXRCSA-N -2 0 350.371 0.651 20 0 FCADRL O=C([O-])CNC(=O)[C@H]1CCCN1Cc1ncc(Br)cc1[O-] ZINC001602068650 1286924585 /nfs/dbraw/zinc/92/45/85/1286924585.db2.gz SSQQZJJPKOSMIV-SNVBAGLBSA-N -2 0 358.192 0.715 20 0 FCADRL O=C([O-])CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccnc2)cc1 ZINC001602075309 1286929394 /nfs/dbraw/zinc/92/93/94/1286929394.db2.gz WAVPGVYEOJMBFQ-UHFFFAOYSA-N -2 0 371.396 0.245 20 0 FCADRL O=C([O-])COCC(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001602076727 1286929726 /nfs/dbraw/zinc/92/97/26/1286929726.db2.gz LJNNUTOXAWTYTP-OAHLLOKOSA-N -2 0 370.789 0.711 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC001602096597 1286934085 /nfs/dbraw/zinc/93/40/85/1286934085.db2.gz AKULKTINJUHJGX-SRVKXCTJSA-N -2 0 368.415 0.145 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N2CC3(CCOCC3)[C@@H]2C(=O)[O-])cc1 ZINC001602131462 1286943697 /nfs/dbraw/zinc/94/36/97/1286943697.db2.gz VPJHQISUECZEEQ-AWEZNQCLSA-N -2 0 369.395 0.568 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cc1 ZINC001602131358 1286943858 /nfs/dbraw/zinc/94/38/58/1286943858.db2.gz QMLGOYJFRPYJQZ-NSHDSACASA-N -2 0 366.399 0.706 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc3c(c2F)CCNC3=O)cn1 ZINC001602164763 1286953488 /nfs/dbraw/zinc/95/34/88/1286953488.db2.gz ABJZWFIHPQNMPE-UHFFFAOYSA-N -2 0 368.346 0.194 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])cn1 ZINC001602164186 1286954038 /nfs/dbraw/zinc/95/40/38/1286954038.db2.gz TVBXWSYYWTZSPS-NEPJUHHUSA-N -2 0 359.404 0.670 20 0 FCADRL O=C([O-])c1cnc(S(=O)(=O)CCS(=O)(=O)C2CCCCC2)[n-]1 ZINC001602235387 1286974417 /nfs/dbraw/zinc/97/44/17/1286974417.db2.gz XXCCSHWXYSTJQK-UHFFFAOYSA-N -2 0 350.418 0.629 20 0 FCADRL O=C([O-])c1cc(F)cc(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)c1 ZINC001602272065 1286978036 /nfs/dbraw/zinc/97/80/36/1286978036.db2.gz JIRWANLLIMWYHR-PELKAZGASA-N -2 0 361.347 0.370 20 0 FCADRL O=C([O-])c1cc(F)cc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@]3(CCOC3)C2)c1 ZINC001602272387 1286978219 /nfs/dbraw/zinc/97/82/19/1286978219.db2.gz OTZHIXOFPJDKII-IUODEOHRSA-N -2 0 373.358 0.636 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])ccc1F ZINC001602292617 1286983683 /nfs/dbraw/zinc/98/36/83/1286983683.db2.gz AHLYOVSGXVCAFY-NSHDSACASA-N -2 0 357.319 0.221 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)cc(F)c1F ZINC001602293876 1286985478 /nfs/dbraw/zinc/98/54/78/1286985478.db2.gz UDPZOFNCDSMQTJ-KGFZYKRKSA-N -2 0 365.310 0.431 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)c2cn(CC3CC3)nn2)cc1 ZINC001602354798 1286990983 /nfs/dbraw/zinc/99/09/83/1286990983.db2.gz GNEPNTMUURSMRL-UHFFFAOYSA-N -2 0 364.383 0.646 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1 ZINC001602392804 1286993596 /nfs/dbraw/zinc/99/35/96/1286993596.db2.gz GAEACPPMKPHEEF-GHMZBOCLSA-N -3 0 357.340 0.181 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CCC(F)(F)[C@H](C(=O)[O-])C2)cn1 ZINC001602395258 1286994382 /nfs/dbraw/zinc/99/43/82/1286994382.db2.gz UIGSQHFFXBFEAB-QMMMGPOBSA-N -2 0 350.299 0.510 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccccc2)cc1 ZINC001602396270 1286995202 /nfs/dbraw/zinc/99/52/02/1286995202.db2.gz RDXKIYWALMUIQO-UONOGXRCSA-N -2 0 365.363 0.850 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])cn1 ZINC001602398658 1286996848 /nfs/dbraw/zinc/99/68/48/1286996848.db2.gz UGIFJXZBQMYEMD-CYBMUJFWSA-N -2 0 368.342 0.893 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)NCc2nc(=O)o[n-]2)cc1C(F)(F)F ZINC001602400986 1286997301 /nfs/dbraw/zinc/99/73/01/1286997301.db2.gz CYZCFKMTAMSDGR-UHFFFAOYSA-N -2 0 367.261 0.558 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)N2C[C@H](C(=O)[O-])[C@]3(CCOC3)C2)c1 ZINC001602439776 1287001891 /nfs/dbraw/zinc/00/18/91/1287001891.db2.gz JEGJDPTYDAKNLL-CZUORRHYSA-N -2 0 369.395 0.638 20 0 FCADRL O=C([O-])c1ccsc1N1CC[C@H](NC(=O)[C@@H](C(=O)[O-])C2CC2)C1=O ZINC001602489993 1287010436 /nfs/dbraw/zinc/01/04/36/1287010436.db2.gz HEXBQFGTNJSZOM-UWVGGRQHSA-N -2 0 352.368 0.779 20 0 FCADRL O=C([O-])c1cncc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC001602535362 1287021933 /nfs/dbraw/zinc/02/19/33/1287021933.db2.gz GGIZXRGJZRBXBL-UHFFFAOYSA-N -2 0 364.335 0.670 20 0 FCADRL O=C([O-])c1cncc(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1 ZINC001602535320 1287022164 /nfs/dbraw/zinc/02/21/64/1287022164.db2.gz CCGZONDPZMPMID-NSHDSACASA-N -2 0 366.355 0.056 20 0 FCADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001602570452 1287028432 /nfs/dbraw/zinc/02/84/32/1287028432.db2.gz PRPRCBVWFMXOQN-HZGVNTEJSA-N -2 0 364.763 0.201 20 0 FCADRL O=C([O-])c1ccc2c(c1)NC(=O)CN2S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001602650952 1287050772 /nfs/dbraw/zinc/05/07/72/1287050772.db2.gz SNGMKIKBUSGUTJ-UHFFFAOYSA-N -2 0 368.367 0.728 20 0 FCADRL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001609378175 1289129828 /nfs/dbraw/zinc/12/98/28/1289129828.db2.gz NWMRWJGJECXXDE-SNVBAGLBSA-N -2 0 360.374 0.450 20 0 FCADRL C/C(=C\c1ccncc1)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001602987641 1287174584 /nfs/dbraw/zinc/17/45/84/1287174584.db2.gz UJWIFLKKQQCINY-ZHACJKMWSA-N -2 0 353.400 0.643 20 0 FCADRL CC(=O)N[C@H](CC(=O)[N-]S(=O)(=O)CC(=O)[O-])c1ccc(Cl)cc1 ZINC001603037031 1287195028 /nfs/dbraw/zinc/19/50/28/1287195028.db2.gz MUJYGXPUFDWDFP-LLVKDONJSA-N -2 0 362.791 0.438 20 0 FCADRL CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1OC ZINC001604884560 1287806615 /nfs/dbraw/zinc/80/66/15/1287806615.db2.gz VLKGPFQZFJBTGO-QMMMGPOBSA-N -2 0 361.372 0.886 20 0 FCADRL CCCN1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1=O ZINC001605323184 1287925633 /nfs/dbraw/zinc/92/56/33/1287925633.db2.gz YPACIIFLVDUEDF-CYBMUJFWSA-N -2 0 368.411 0.589 20 0 FCADRL CCSc1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)ccn1 ZINC001605743551 1288069957 /nfs/dbraw/zinc/06/99/57/1288069957.db2.gz YHXDGFCCUFTGDL-UHFFFAOYSA-N -2 0 373.456 0.965 20 0 FCADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCN(CC(=O)[O-])CC2)n1 ZINC001605832742 1288096177 /nfs/dbraw/zinc/09/61/77/1288096177.db2.gz ZGRDIBPTWQKAJY-UHFFFAOYSA-N -2 0 358.398 0.983 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H](CC(F)F)C(=O)[O-])c1 ZINC001606042727 1288144719 /nfs/dbraw/zinc/14/47/19/1288144719.db2.gz YYPVUPBGJVSEDH-VIFPVBQESA-N -2 0 366.342 0.481 20 0 FCADRL CN(CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)[C@@H]1CCSC1 ZINC001606081373 1288158134 /nfs/dbraw/zinc/15/81/34/1288158134.db2.gz LEHRQNARXDGRDC-MRVPVSSYSA-N -2 0 364.470 0.689 20 0 FCADRL CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])n1C ZINC001606167924 1288196788 /nfs/dbraw/zinc/19/67/88/1288196788.db2.gz AVBUMMVQSKGPRJ-UHFFFAOYSA-N -2 0 351.384 0.830 20 0 FCADRL CNS(=O)(=O)c1cc(NC(=O)c2cccc(C(=O)[O-])n2)ccc1[O-] ZINC001606304264 1288260872 /nfs/dbraw/zinc/26/08/72/1288260872.db2.gz FXEIKEYGWHWTMT-UHFFFAOYSA-N -2 0 351.340 0.646 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)c1ccn(C)n1 ZINC001606341988 1288264198 /nfs/dbraw/zinc/26/41/98/1288264198.db2.gz JVDBOEVMOVUUAV-LLVKDONJSA-N -2 0 357.344 0.212 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N[C@@H](C)CC(=O)[O-])c(C(=O)[O-])s1 ZINC001606563898 1288386727 /nfs/dbraw/zinc/38/67/27/1288386727.db2.gz CQSZLUSAWMEXQD-YFKPBYRVSA-N -2 0 351.358 0.374 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC001606584854 1288396808 /nfs/dbraw/zinc/39/68/08/1288396808.db2.gz WRPDUUCZUCTOCW-LLVKDONJSA-N -2 0 373.383 0.949 20 0 FCADRL COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])[nH]2)cc1 ZINC001606589613 1288399617 /nfs/dbraw/zinc/39/96/17/1288399617.db2.gz CXIMCGNNNPQCPY-UHFFFAOYSA-N -2 0 366.351 0.759 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001606637106 1288418773 /nfs/dbraw/zinc/41/87/73/1288418773.db2.gz VBLBTRCXFOTSTQ-BGZDPUMWSA-N -2 0 360.413 0.707 20 0 FCADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)CC(=O)[O-] ZINC001606637996 1288420268 /nfs/dbraw/zinc/42/02/68/1288420268.db2.gz LCEODXKFAHLTBY-RXMQYKEDSA-N -2 0 351.358 0.374 20 0 FCADRL COCC1(C(=O)[O-])CCN(S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC001606834190 1288534427 /nfs/dbraw/zinc/53/44/27/1288534427.db2.gz KTGPPHFJHISTJJ-UHFFFAOYSA-N -2 0 364.401 0.343 20 0 FCADRL COCC1(S(=O)(=O)[N-]C(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC1 ZINC001606842703 1288538057 /nfs/dbraw/zinc/53/80/57/1288538057.db2.gz OYKBSMUPDCSLNI-UHFFFAOYSA-N -2 0 366.395 0.965 20 0 FCADRL O=C([O-])C12CCC(CC1)CN2S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001606960421 1288576546 /nfs/dbraw/zinc/57/65/46/1288576546.db2.gz SBWSFXRCBGLNGP-UHFFFAOYSA-N -2 0 369.428 0.946 20 0 FCADRL COc1cc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)[O-])ccc1C(=O)[O-] ZINC001607190634 1288682016 /nfs/dbraw/zinc/68/20/16/1288682016.db2.gz KTXUZFRCFMZHQR-JOYOIKCWSA-N -2 0 373.383 0.552 20 0 FCADRL COc1cc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)[O-])ccc1C(=O)[O-] ZINC001607190635 1288682185 /nfs/dbraw/zinc/68/21/85/1288682185.db2.gz KTXUZFRCFMZHQR-SKDRFNHKSA-N -2 0 373.383 0.552 20 0 FCADRL COc1ccc(C(=O)CCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1OC ZINC001607204011 1288684046 /nfs/dbraw/zinc/68/40/46/1288684046.db2.gz LETVHLAZEIQBCA-VIFPVBQESA-N -2 0 373.383 0.586 20 0 FCADRL COc1ccc(S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-])cc1C(=O)[O-] ZINC001607284713 1288692978 /nfs/dbraw/zinc/69/29/78/1288692978.db2.gz PLVZCNOWVGIEQL-VIFPVBQESA-N -2 0 361.372 0.240 20 0 FCADRL CSCC[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)CCCC(=O)[O-] ZINC001607399034 1288704607 /nfs/dbraw/zinc/70/46/07/1288704607.db2.gz VVOIWVDNSOAPOC-RKDXNWHRSA-N -2 0 357.475 0.762 20 0 FCADRL Cc1cc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001607578491 1288727294 /nfs/dbraw/zinc/72/72/94/1288727294.db2.gz JLQGKPVWNJABAM-AWEZNQCLSA-N -2 0 350.356 0.435 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c(C)n1[C@@H]1CCCOC1 ZINC001607579824 1288727628 /nfs/dbraw/zinc/72/76/28/1288727628.db2.gz IYZJJJBFGBBJHJ-NWDGAFQWSA-N -2 0 358.416 0.989 20 0 FCADRL Cc1cc2nc(C)cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])n2n1 ZINC001607580024 1288728529 /nfs/dbraw/zinc/72/85/29/1288728529.db2.gz OEUPKOVICMQILS-ZJUUUORDSA-N -2 0 354.388 0.515 20 0 FCADRL Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001607701379 1288733769 /nfs/dbraw/zinc/73/37/69/1288733769.db2.gz FTMMFYZFXACTRL-JTQLQIEISA-N -2 0 350.327 0.330 20 0 FCADRL Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001607701381 1288734245 /nfs/dbraw/zinc/73/42/45/1288734245.db2.gz FTMMFYZFXACTRL-SNVBAGLBSA-N -2 0 350.327 0.330 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)Oc2ccccn2)oc1C(=O)[O-] ZINC001607703231 1288735026 /nfs/dbraw/zinc/73/50/26/1288735026.db2.gz WIOUUDVFEVMNNX-VIFPVBQESA-N -2 0 354.340 0.954 20 0 FCADRL Cc1ncsc1[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(=O)[O-] ZINC001607994477 1288755890 /nfs/dbraw/zinc/75/58/90/1288755890.db2.gz RVLHHKODEFHXFY-SECBINFHSA-N -2 0 357.369 0.649 20 0 FCADRL Cc1ncsc1[C@@H](NS(=O)(=O)c1scnc1C(=O)[O-])C(=O)[O-] ZINC001607993996 1288756451 /nfs/dbraw/zinc/75/64/51/1288756451.db2.gz HRULMXJPEUAFRM-RXMQYKEDSA-N -2 0 363.398 0.710 20 0 FCADRL Cn1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c(C(F)F)n1 ZINC001608097766 1288768029 /nfs/dbraw/zinc/76/80/29/1288768029.db2.gz OJFVFRJBPMCKAU-UHFFFAOYSA-N -2 0 366.346 0.129 20 0 FCADRL Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001608106667 1288768540 /nfs/dbraw/zinc/76/85/40/1288768540.db2.gz QKLJGUDLPKDFBB-UHFFFAOYSA-N -2 0 365.367 0.082 20 0 FCADRL Cn1cc(C[C@H]2CCC[C@@H]2[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cn1 ZINC001608109293 1288771108 /nfs/dbraw/zinc/77/11/08/1288771108.db2.gz AMOALBHGLPVMRO-MNOVXSKESA-N -2 0 354.388 0.796 20 0 FCADRL O=C(CCCC1CCOCC1)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001608302926 1288815611 /nfs/dbraw/zinc/81/56/11/1288815611.db2.gz OHDZPVORKABLRX-UHFFFAOYSA-N -2 0 362.448 0.741 20 0 FCADRL O=C([O-])[C@@H](CNC(=O)CSc1n[nH]c(=O)[n-]1)Cc1cccc(F)c1 ZINC001608357205 1288829314 /nfs/dbraw/zinc/82/93/14/1288829314.db2.gz WUGSFKQPEBGPLJ-SECBINFHSA-N -2 0 354.363 0.801 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)Cc1c[nH]c2cnccc12 ZINC001608356169 1288829877 /nfs/dbraw/zinc/82/98/77/1288829877.db2.gz IJZRENQOLSRLLA-UHFFFAOYSA-N -2 0 366.380 0.765 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)Cc2ccc3c(c2)CCC3)CC1 ZINC001608363851 1288830552 /nfs/dbraw/zinc/83/05/52/1288830552.db2.gz HRKNTCJEKASFCR-UHFFFAOYSA-N -2 0 366.439 0.875 20 0 FCADRL O=C([O-])CCCO[N-]C(=O)C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC001608715959 1288868510 /nfs/dbraw/zinc/86/85/10/1288868510.db2.gz NMYHLJHVHUVAHD-UHFFFAOYSA-N -2 0 350.306 0.863 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)c(F)cc1Cl ZINC001608859602 1288876517 /nfs/dbraw/zinc/87/65/17/1288876517.db2.gz AVAPNLJNIOGIOB-GFCCVEGCSA-N -2 0 367.738 0.699 20 0 FCADRL C[C@H](C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C(C)(F)F ZINC001609072463 1288904658 /nfs/dbraw/zinc/90/46/58/1288904658.db2.gz QNAMGCCDASNUAD-ZCFIWIBFSA-N -2 0 353.289 0.950 20 0 FCADRL CC(C)CO[C@@H](C)C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001609096585 1288916522 /nfs/dbraw/zinc/91/65/22/1288916522.db2.gz JZVBHOIJHPQLGP-VIFPVBQESA-N -2 0 361.362 0.719 20 0 FCADRL C[C@@](O)(CC(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CC1 ZINC001609127767 1288935228 /nfs/dbraw/zinc/93/52/28/1288935228.db2.gz VSDZDQDCNQGSOR-OAHLLOKOSA-N -2 0 359.346 0.209 20 0 FCADRL CCN1CCCC[C@@H]1C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001609227367 1288999820 /nfs/dbraw/zinc/99/98/20/1288999820.db2.gz QVWAYOCMNBAFMD-GFCCVEGCSA-N -2 0 372.389 0.533 20 0 FCADRL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)o1)C(F)(F)F ZINC001609571573 1289232087 /nfs/dbraw/zinc/23/20/87/1289232087.db2.gz NJZICYGMPNKNLN-RXMQYKEDSA-N -2 0 369.281 0.391 20 0 FCADRL C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC001609631809 1289268232 /nfs/dbraw/zinc/26/82/32/1289268232.db2.gz QLARBJZRLJMGHJ-ZETCQYMHSA-N -2 0 350.422 0.164 20 0 FCADRL C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC001609631808 1289268574 /nfs/dbraw/zinc/26/85/74/1289268574.db2.gz QLARBJZRLJMGHJ-SSDOTTSWSA-N -2 0 350.422 0.164 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCCNC(=O)c1cccnc1 ZINC001609638328 1289269996 /nfs/dbraw/zinc/26/99/96/1289269996.db2.gz DIQDZHAZXLSPPB-QWRGUYRKSA-N -2 0 371.415 0.147 20 0 FCADRL CC(C)n1cnnc1SCC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC001609638461 1289270128 /nfs/dbraw/zinc/27/01/28/1289270128.db2.gz GKHOIJZRYNGSST-RKDXNWHRSA-N -2 0 364.449 0.506 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)COc1cc(F)cc(F)c1 ZINC001609638454 1289270211 /nfs/dbraw/zinc/27/02/11/1289270211.db2.gz GIWPMQSGLSPOLM-HTQZYQBOSA-N -2 0 351.327 0.899 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C(=O)N(C)C)c1 ZINC001609638925 1289270825 /nfs/dbraw/zinc/27/08/25/1289270825.db2.gz OHIPATNKNISQCY-ZJUUUORDSA-N -2 0 356.400 0.557 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(OCC(F)(F)F)n1 ZINC001609643343 1289271753 /nfs/dbraw/zinc/27/17/53/1289271753.db2.gz MHQGASOXRFFPQM-ZCFIWIBFSA-N -2 0 356.278 0.555 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)[N-]S(=O)(=O)CC(=O)[O-])C1 ZINC001609661772 1289275762 /nfs/dbraw/zinc/27/57/62/1289275762.db2.gz UWPZBRPQBHRHFC-SNVBAGLBSA-N -2 0 364.420 0.554 20 0 FCADRL CC(C)CC(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1F ZINC001609690605 1289280026 /nfs/dbraw/zinc/28/00/26/1289280026.db2.gz KGHBDDUVTVMGDC-UHFFFAOYSA-N -2 0 360.363 0.955 20 0 FCADRL CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001609702035 1289282539 /nfs/dbraw/zinc/28/25/39/1289282539.db2.gz DAOWVQNQJLMVKM-ZJUUUORDSA-N -2 0 350.437 0.483 20 0 FCADRL CC(C)S(=O)(=O)c1cccc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c1 ZINC001609715274 1289285292 /nfs/dbraw/zinc/28/52/92/1289285292.db2.gz GJDZHTGJAGLAQE-UHFFFAOYSA-N -2 0 363.413 0.403 20 0 FCADRL C[C@](CO)(CNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)CC(=O)[O-] ZINC001609746965 1289289382 /nfs/dbraw/zinc/28/93/82/1289289382.db2.gz SEEAIOQGNDOKPO-CYBMUJFWSA-N -2 0 367.326 0.415 20 0 FCADRL C[C@@H](CS(=O)(=O)[N-][C@H](CO)c1nc(-c2ccccc2)no1)C(=O)[O-] ZINC001609750521 1289290428 /nfs/dbraw/zinc/29/04/28/1289290428.db2.gz PMGXEYMKDHQHNH-GXSJLCMTSA-N -2 0 355.372 0.410 20 0 FCADRL C[C@@H](OC1CCCCC1)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001609800682 1289301146 /nfs/dbraw/zinc/30/11/46/1289301146.db2.gz RXAGFHPXUKSOQY-LLVKDONJSA-N -2 0 362.448 0.882 20 0 FCADRL C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001609838268 1289308678 /nfs/dbraw/zinc/30/86/78/1289308678.db2.gz XJMVNBQJMLLKBV-NXEZZACHSA-N -2 0 364.420 0.553 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)[C@@H](C(=O)[O-])[C@H](C)O1 ZINC001609873670 1289321778 /nfs/dbraw/zinc/32/17/78/1289321778.db2.gz OSAZHOXQSLGXLT-ISTVAULSSA-N -2 0 357.384 0.565 20 0 FCADRL CC[C@H](C)n1ncc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1C ZINC001609909765 1289327390 /nfs/dbraw/zinc/32/73/90/1289327390.db2.gz FIDKGZAWBLHGCA-JTQLQIEISA-N -2 0 372.447 0.934 20 0 FCADRL CC[C@@H](CCNS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)[O-])C(=O)[O-] ZINC001609918790 1289327558 /nfs/dbraw/zinc/32/75/58/1289327558.db2.gz DACSLBNUXGJMOL-VIFPVBQESA-N -2 0 373.383 0.951 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C1=O ZINC001609941630 1289330987 /nfs/dbraw/zinc/33/09/87/1289330987.db2.gz LGPBTQZLNDCEDW-CQSZACIVSA-N -2 0 371.371 0.064 20 0 FCADRL CCCOc1cn(-c2ccccc2)nc1C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001609981089 1289336824 /nfs/dbraw/zinc/33/68/24/1289336824.db2.gz NNTGMELIWPSOMX-UHFFFAOYSA-N -2 0 367.383 0.805 20 0 FCADRL CCO[C@H]1C[C@@](NS(=O)(=O)c2cc(C(=O)[O-])co2)(C(=O)[O-])C1(C)C ZINC001610027821 1289351460 /nfs/dbraw/zinc/35/14/60/1289351460.db2.gz AIOMXQXVBBNCNM-LKFCYVNXSA-N -2 0 361.372 0.915 20 0 FCADRL CCO[C@@H]1C[C@@](NS(=O)(=O)c2ccc(C(=O)[O-])o2)(C(=O)[O-])C1(C)C ZINC001610030364 1289351940 /nfs/dbraw/zinc/35/19/40/1289351940.db2.gz JMCJUAQLLIOCNY-YMTOWFKASA-N -2 0 361.372 0.915 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)Nc2ccn(CC(=O)[O-])n2)c1 ZINC001610102911 1289373981 /nfs/dbraw/zinc/37/39/81/1289373981.db2.gz GFCIDCUTIMUUAS-UHFFFAOYSA-N -2 0 368.371 0.176 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])cc1C ZINC001610142167 1289395412 /nfs/dbraw/zinc/39/54/12/1289395412.db2.gz LNVAQRGPVZCHAZ-UHFFFAOYSA-N -2 0 372.428 0.806 20 0 FCADRL COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001610150019 1289400176 /nfs/dbraw/zinc/40/01/76/1289400176.db2.gz AIYCHYBDSUCHRX-WDEREUQCSA-N -2 0 371.411 0.961 20 0 FCADRL COC(=O)Cn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1C ZINC001610187882 1289416244 /nfs/dbraw/zinc/41/62/44/1289416244.db2.gz UHWXXVKDPVRNGX-UHFFFAOYSA-N -2 0 357.344 0.765 20 0 FCADRL COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC001610187353 1289416379 /nfs/dbraw/zinc/41/63/79/1289416379.db2.gz QWORIZRISCOABN-UHFFFAOYSA-N -2 0 374.762 0.604 20 0 FCADRL COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC001610186713 1289416482 /nfs/dbraw/zinc/41/64/82/1289416482.db2.gz LVOSYLNUBRHRLJ-UHFFFAOYSA-N -2 0 358.307 0.089 20 0 FCADRL COC(=O)c1cc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001610203453 1289425464 /nfs/dbraw/zinc/42/54/64/1289425464.db2.gz PTDYPPOVPYHOMM-LLVKDONJSA-N -2 0 352.299 0.489 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-]C1(CC(=O)[O-])CCOCC1 ZINC001610220214 1289429545 /nfs/dbraw/zinc/42/95/45/1289429545.db2.gz GKKROSNMURSQEK-UHFFFAOYSA-N -2 0 364.401 0.232 20 0 FCADRL COC(=O)c1cncc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)c1 ZINC001610218983 1289429810 /nfs/dbraw/zinc/42/98/10/1289429810.db2.gz PAFUUAJFLRRMJQ-UHFFFAOYSA-N -2 0 357.369 0.753 20 0 FCADRL COCCOc1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc1 ZINC001610263106 1289442958 /nfs/dbraw/zinc/44/29/58/1289442958.db2.gz VTIWIFQEXJOKFD-UHFFFAOYSA-N -2 0 359.400 0.882 20 0 FCADRL COc1cc2c(cc1C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])OCO2 ZINC001610308351 1289457400 /nfs/dbraw/zinc/45/74/00/1289457400.db2.gz UHXPQROVKBEQDM-SFYZADRCSA-N -2 0 359.356 0.593 20 0 FCADRL COc1ccc(-n2ccc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])n2)cc1 ZINC001610312234 1289458755 /nfs/dbraw/zinc/45/87/55/1289458755.db2.gz MORUJTRVTHHYKE-UHFFFAOYSA-N -2 0 353.356 0.415 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1 ZINC001610359542 1289468828 /nfs/dbraw/zinc/46/88/28/1289468828.db2.gz CWTXEMWXCMWVFD-SHZVTRLKSA-N -2 0 368.455 0.810 20 0 FCADRL COc1cccc([C@H]2CN(S(=O)(=O)CCCC(=O)[O-])C[C@@H]2C(=O)[O-])c1 ZINC001610360373 1289470073 /nfs/dbraw/zinc/47/00/73/1289470073.db2.gz NPJIKXQAKYYHDO-KGLIPLIRSA-N -2 0 371.411 0.990 20 0 FCADRL COc1ncnc(N(C)C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001610371911 1289472101 /nfs/dbraw/zinc/47/21/01/1289472101.db2.gz BECZEDCNMSHODR-UHFFFAOYSA-N -2 0 356.360 0.952 20 0 FCADRL Cc1c(Cl)c(C(=O)[O-])sc1S(=O)(=O)NCc1nc(=O)o[n-]1 ZINC001610427752 1289486178 /nfs/dbraw/zinc/48/61/78/1289486178.db2.gz VQXVOWJIRPTNMP-UHFFFAOYSA-N -2 0 353.765 0.563 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])ccc1N1CCOCC1 ZINC001610436772 1289487349 /nfs/dbraw/zinc/48/73/49/1289487349.db2.gz NURGBQHILQJWMQ-UHFFFAOYSA-N -2 0 370.427 0.756 20 0 FCADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC001610489724 1289495442 /nfs/dbraw/zinc/49/54/42/1289495442.db2.gz BVHZOWNKZYWIIY-LRDDRELGSA-N -2 0 369.395 0.805 20 0 FCADRL Cc1cccc([C@H]2CCN(S(=O)(=O)N(C)CCC(=O)[O-])[C@H]2C(=O)[O-])c1 ZINC001610520380 1289500839 /nfs/dbraw/zinc/50/08/39/1289500839.db2.gz LPSFJMYMCJOTPB-UKRRQHHQSA-N -2 0 370.427 0.889 20 0 FCADRL Cc1csc2ncc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])c(=O)n12 ZINC001610548955 1289506572 /nfs/dbraw/zinc/50/65/72/1289506572.db2.gz CLBLAGPTQGJZHC-SFYZADRCSA-N -2 0 373.412 0.233 20 0 FCADRL Cc1csc2ncc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])c(=O)n12 ZINC001610548953 1289506790 /nfs/dbraw/zinc/50/67/90/1289506790.db2.gz CLBLAGPTQGJZHC-HTQZYQBOSA-N -2 0 373.412 0.233 20 0 FCADRL Cc1nc(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)sc1C(=O)[O-] ZINC001610555949 1289508972 /nfs/dbraw/zinc/50/89/72/1289508972.db2.gz NKFRHPQIQMKKGV-UHFFFAOYSA-N -2 0 363.417 0.281 20 0 FCADRL Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)c3cc(C(=O)[O-])co3)cc12 ZINC001610568631 1289512152 /nfs/dbraw/zinc/51/21/52/1289512152.db2.gz YTAGOMJISWRSLU-UHFFFAOYSA-N -2 0 364.339 0.687 20 0 FCADRL Cc1nnc(-c2cccc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])c2)n1C ZINC001610573561 1289514497 /nfs/dbraw/zinc/51/44/97/1289514497.db2.gz WFPBQXFLLGYTGE-UHFFFAOYSA-N -2 0 361.358 0.642 20 0 FCADRL Cn1cc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cc1C(=O)[O-] ZINC001610606815 1289525525 /nfs/dbraw/zinc/52/55/25/1289525525.db2.gz ZOKLQNRHQRSBFR-QMMMGPOBSA-N -2 0 355.376 0.115 20 0 FCADRL Cn1nnc2c1C[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])CC2 ZINC001610617341 1289530941 /nfs/dbraw/zinc/53/09/41/1289530941.db2.gz XTQFGFKICKUAFW-ZETCQYMHSA-N -2 0 370.412 0.185 20 0 FCADRL O=C([O-])[C@@H](CC(F)F)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC001610677169 1289549659 /nfs/dbraw/zinc/54/96/59/1289549659.db2.gz WKRMIENKHLIPSF-SECBINFHSA-N -2 0 357.338 0.910 20 0 FCADRL O=C([O-])[C@H](CO)NC(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC001610701738 1289560014 /nfs/dbraw/zinc/56/00/14/1289560014.db2.gz VAMWCYKKPBUXMR-JTQLQIEISA-N -2 0 371.396 0.119 20 0 FCADRL O=C([O-])C1=NOC2(C1)CCN(S(=O)(=O)c1cccc(C(=O)[O-])c1)CC2 ZINC001610731659 1289569692 /nfs/dbraw/zinc/56/96/92/1289569692.db2.gz PEZPHGGMBYCYOR-UHFFFAOYSA-N -2 0 368.367 0.769 20 0 FCADRL O=C([O-])[C@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)Cc1ccccc1 ZINC001610745017 1289576473 /nfs/dbraw/zinc/57/64/73/1289576473.db2.gz OOGOXJMPVLRTPI-AWEZNQCLSA-N -2 0 370.427 0.561 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)Cc2ccccc2)CC1 ZINC001610755498 1289579707 /nfs/dbraw/zinc/57/97/07/1289579707.db2.gz UTWKGQSAEJDQPQ-TZMCWYRMSA-N -2 0 371.411 0.218 20 0 FCADRL O=C([O-])C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CCO1 ZINC001610763672 1289584228 /nfs/dbraw/zinc/58/42/28/1289584228.db2.gz YDVXHPGKVURHNA-VIFPVBQESA-N -2 0 354.290 0.165 20 0 FCADRL O=C([O-])CCCS(=O)(=O)N1CCN([C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC001610771404 1289585911 /nfs/dbraw/zinc/58/59/11/1289585911.db2.gz UQNNPDPQMXOFFI-OAHLLOKOSA-N -2 0 370.427 0.625 20 0 FCADRL O=C([O-])CCOc1ccc(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)cc1 ZINC001610776021 1289587152 /nfs/dbraw/zinc/58/71/52/1289587152.db2.gz JHJPSQFPUHXOPX-MEBBXXQBSA-N -2 0 355.368 0.635 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)n1 ZINC001610801253 1289598167 /nfs/dbraw/zinc/59/81/67/1289598167.db2.gz SCGLTGOCQNTHKI-UHFFFAOYSA-N -2 0 366.277 0.904 20 0 FCADRL O=C([O-])c1ccc(F)c(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)[O-])c1 ZINC001610831823 1289602143 /nfs/dbraw/zinc/60/21/43/1289602143.db2.gz BIUDAMMCYZUNNM-KCJUWKMLSA-N -2 0 361.347 0.682 20 0 FCADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC001610832833 1289602279 /nfs/dbraw/zinc/60/22/79/1289602279.db2.gz WNHZZTNGMJDLBU-KCJUWKMLSA-N -2 0 363.775 0.806 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cc1F ZINC001610837875 1289603243 /nfs/dbraw/zinc/60/32/43/1289603243.db2.gz FLDZMWBAOHGTDC-MRVPVSSYSA-N -2 0 370.362 0.916 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)c2nnc3ccccc3n2)c1 ZINC001610847062 1289604652 /nfs/dbraw/zinc/60/46/52/1289604652.db2.gz TWKCSMIUWOHARB-UHFFFAOYSA-N -2 0 372.362 0.983 20 0 FCADRL O=C([O-])c1ccc(NS(=O)(=O)[N-]C(=O)C[C@H]2CCCC(=O)N2)cc1 ZINC001610882979 1289615478 /nfs/dbraw/zinc/61/54/78/1289615478.db2.gz UNANEBQEXUHWJB-LLVKDONJSA-N -2 0 355.372 0.217 20 0 FCADRL CS(=O)(=O)c1nc(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)n[n-]1 ZINC000747343236 836236795 /nfs/dbraw/zinc/23/67/95/836236795.db2.gz PNZAYHWNYJLKML-UHFFFAOYSA-N -2 0 366.384 0.398 20 0 FCADRL NC(=O)C[C@H](CC(=O)NCCOP(=O)([O-])[O-])c1ccc(Cl)cc1 ZINC001143795520 849500661 /nfs/dbraw/zinc/50/06/61/849500661.db2.gz MVFKFRZGYMUNEV-SNVBAGLBSA-N -2 0 364.722 0.915 20 0 FCADRL Nc1nc(=O)c2ccccc2n1C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926766 849622309 /nfs/dbraw/zinc/62/23/09/849622309.db2.gz TZBAGOMOYNQPQY-UHFFFAOYSA-N -2 0 361.335 0.862 20 0 FCADRL O=C(c1ncc(Br)cc1[O-])N1CCSC[C@H]1c1nnn[n-]1 ZINC001154777855 849813488 /nfs/dbraw/zinc/81/34/88/849813488.db2.gz XRHWAGCBYYSRAI-ZETCQYMHSA-N -2 0 371.220 0.993 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cnn2ccc(Br)cc12 ZINC001156951526 849934345 /nfs/dbraw/zinc/93/43/45/849934345.db2.gz VDFSJTZVURYQTR-UHFFFAOYSA-N -2 0 364.092 0.936 20 0 FCADRL O=P([O-])([O-])OCCNc1ncnc2c1nnn2Cc1ccccc1 ZINC001168587278 850590231 /nfs/dbraw/zinc/59/02/31/850590231.db2.gz QAWHXSMQIUBQMO-UHFFFAOYSA-N -2 0 350.275 0.791 20 0 FCADRL CCOC(=O)[C@@H]1NC(=O)c2cc(NCCOP(=O)([O-])[O-])ccc2O1 ZINC001168591538 850590240 /nfs/dbraw/zinc/59/02/40/850590240.db2.gz AVHKAHGZMCRRQJ-GFCCVEGCSA-N -2 0 360.259 0.219 20 0 FCADRL O=C1CC[C@@H](c2cc(Cl)nc(NCCOP(=O)([O-])[O-])n2)CN1 ZINC001168589342 850590780 /nfs/dbraw/zinc/59/07/80/850590780.db2.gz HNLGKZCEICFLDV-SSDOTTSWSA-N -2 0 350.699 0.645 20 0 FCADRL O=C(OCc1ccccc1)[C@H]1C[C@@]1(F)C(=O)NCCOP(=O)([O-])[O-] ZINC001178871370 850936754 /nfs/dbraw/zinc/93/67/54/850936754.db2.gz AUSWPUMWHRHHLG-RISCZKNCSA-N -2 0 361.262 0.684 20 0 FCADRL CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(C(=O)NCCOP(=O)([O-])[O-])C1 ZINC001179284686 850968501 /nfs/dbraw/zinc/96/85/01/850968501.db2.gz YWRYLDWETWEFPV-YGRLFVJLSA-N -2 0 364.335 0.859 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)NCCOP(=O)([O-])[O-])C1 ZINC001179486183 850977647 /nfs/dbraw/zinc/97/76/47/850977647.db2.gz BARWUTVWJHVZQL-IINYFYTJSA-N -2 0 364.335 0.859 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cnccc2C(N)=O)cc1C(=O)[O-] ZINC001185269017 851348572 /nfs/dbraw/zinc/34/85/72/851348572.db2.gz FGSWVSPQXDVEOZ-UHFFFAOYSA-N -2 0 351.340 0.688 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)n1[n-]c2ccnc(=O)c-2c1N ZINC001188013828 851639420 /nfs/dbraw/zinc/63/94/20/851639420.db2.gz CNDOPZRVKJFCCE-UHFFFAOYSA-N -2 0 361.383 0.709 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)NCCOP(=O)([O-])[O-])ccc1Cl ZINC001188329084 851670348 /nfs/dbraw/zinc/67/03/48/851670348.db2.gz VNAWLJIYVKTYHA-UHFFFAOYSA-N -3 0 359.680 0.426 20 0 FCADRL COC(=O)c1ncc(=O)[nH]c1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189898403 851839075 /nfs/dbraw/zinc/83/90/75/851839075.db2.gz BGNDFPLQOSFQKP-UHFFFAOYSA-N -2 0 369.226 0.693 20 0 FCADRL COc1nn(C)cc1NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189914252 851842183 /nfs/dbraw/zinc/84/21/83/851842183.db2.gz LOLBEWGNSZJKSI-UHFFFAOYSA-N -2 0 355.328 0.626 20 0 FCADRL O=C([O-])c1cc(C(=O)Nc2noc3nccnc23)cc(S(=O)(=O)[O-])c1 ZINC001189915443 851842227 /nfs/dbraw/zinc/84/22/27/851842227.db2.gz SVIOKZUCZNHYER-UHFFFAOYSA-N -2 0 364.295 0.815 20 0 FCADRL N=C(NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1)c1ccc(F)cn1 ZINC001189933062 851845656 /nfs/dbraw/zinc/84/56/56/851845656.db2.gz HSYWZHOENLMPAX-UHFFFAOYSA-N -2 0 367.314 0.921 20 0 FCADRL O=C([O-])c1cc(C(=O)N[C@@H]2CC23CCOCC3)cc(S(=O)(=O)[O-])c1 ZINC001189933941 851845755 /nfs/dbraw/zinc/84/57/55/851845755.db2.gz PWFIRGLDMZOLAW-GFCCVEGCSA-N -2 0 355.368 0.930 20 0 FCADRL O=C([O-])c1cc(C(=O)NCCO[C@@H]2CCCCO2)cc(S(=O)(=O)[O-])c1 ZINC001189941781 851847253 /nfs/dbraw/zinc/84/72/53/851847253.db2.gz QKKSJCLTORODBF-CYBMUJFWSA-N -2 0 373.383 0.905 20 0 FCADRL O=C([O-])CNC(=O)c1ccc([N-]S(=O)(=O)c2ncc(F)cc2F)cc1 ZINC001190194943 851873249 /nfs/dbraw/zinc/87/32/49/851873249.db2.gz VGTNTRZFBYXEKT-UHFFFAOYSA-N -2 0 371.321 0.975 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]c2cnc(C(N)=O)nc2)cc1C(=O)[O-] ZINC001192608949 852263777 /nfs/dbraw/zinc/26/37/77/852263777.db2.gz MTOVRSICWPKTCQ-UHFFFAOYSA-N -2 0 366.355 0.473 20 0 FCADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccnn2C2COC2)cc1 ZINC001192686009 852277271 /nfs/dbraw/zinc/27/72/71/852277271.db2.gz KLTHZTYVCOAMJJ-UHFFFAOYSA-N -2 0 353.356 0.719 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)Cc2ccccn2)c1 ZINC001197829660 853169222 /nfs/dbraw/zinc/16/92/22/853169222.db2.gz ZIHLXTWEKFALDR-UHFFFAOYSA-N -2 0 371.440 0.979 20 0 FCADRL Cc1nn(Cc2cccnc2)c(C)c1C(=O)NCCOP(=O)([O-])[O-] ZINC001198426211 853267746 /nfs/dbraw/zinc/26/77/46/853267746.db2.gz HVZTZQUUMRRBJB-UHFFFAOYSA-N -2 0 354.303 0.782 20 0 FCADRL O=C([O-])c1ccc(CO[C@H](CN2CCOCC2)CS(=O)(=O)[O-])cc1 ZINC001205681591 853625963 /nfs/dbraw/zinc/62/59/63/853625963.db2.gz ZNBWBEBEHZFSIQ-CQSZACIVSA-N -2 0 359.400 0.490 20 0 FCADRL CCOC(=O)c1ccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001222163978 856806867 /nfs/dbraw/zinc/80/68/67/856806867.db2.gz WUEUUAOUJIPLRN-YPMHNXCESA-N -2 0 354.311 0.443 20 0 FCADRL O=C([O-])C[C@@H](C(=O)OCc1nnc(-c2ccccc2)o1)[C@@H](O)C(=O)[O-] ZINC001222934647 856883759 /nfs/dbraw/zinc/88/37/59/856883759.db2.gz BAEUZVQSQSEVRV-BXKDBHETSA-N -2 0 350.283 0.316 20 0 FCADRL COc1cc(COC(=O)[C@H](O)COP(=O)([O-])[O-])ccc1OC(C)C ZINC001223689571 856938062 /nfs/dbraw/zinc/93/80/62/856938062.db2.gz SRHAZMFRIJJGPE-LLVKDONJSA-N -2 0 364.287 0.996 20 0 FCADRL COC(=O)c1ccc(CCOC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001224433895 856984166 /nfs/dbraw/zinc/98/41/66/856984166.db2.gz BQCNCHXUETZDSH-WCQYABFASA-N -2 0 354.311 0.095 20 0 FCADRL CCc1cc(C(=O)OC)ccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225419392 857040745 /nfs/dbraw/zinc/04/07/45/857040745.db2.gz WKBWYXVGHSSFBJ-ZWNOBZJWSA-N -2 0 354.311 0.477 20 0 FCADRL O=C(Oc1c(F)c(F)c([O-])c(F)c1F)[C@H](O)COP(=O)([O-])[O-] ZINC001225886208 857070760 /nfs/dbraw/zinc/07/07/60/857070760.db2.gz UKSLIQCFYLAYEU-UWTATZPHSA-N -3 0 350.113 0.324 20 0 FCADRL O=C(Oc1nc(Cl)nc2cc(F)ccc21)[C@H](O)COP(=O)([O-])[O-] ZINC001226374685 857099830 /nfs/dbraw/zinc/09/98/30/857099830.db2.gz SWZDNJGJZJPTMX-MRVPVSSYSA-N -2 0 366.625 0.798 20 0 FCADRL Cc1cc(C(F)(F)F)ncc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001226406145 857103173 /nfs/dbraw/zinc/10/31/73/857103173.db2.gz WWAQPVTWMNTLBG-QUBYGPBYSA-N -2 0 351.233 0.851 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ncnc2cc(F)cc(F)c21)[C@@H](O)C(=O)[O-] ZINC001226826415 857128034 /nfs/dbraw/zinc/12/80/34/857128034.db2.gz JZEYDOFNJVQWAR-KSBSHMNSSA-N -2 0 356.237 0.350 20 0 FCADRL Cc1sc2ncnc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2c1C ZINC001227083129 857140189 /nfs/dbraw/zinc/14/01/89/857140189.db2.gz TZGVNDLHGRXQMY-GMSGAONNSA-N -2 0 354.340 0.750 20 0 FCADRL CCOC(=O)c1cccc(O)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227158938 857146666 /nfs/dbraw/zinc/14/66/66/857146666.db2.gz ACEDBDNBXFTHFJ-LDYMZIIASA-N -2 0 356.283 0.011 20 0 FCADRL Cc1cc(=O)oc2cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc12 ZINC001227541916 857163653 /nfs/dbraw/zinc/16/36/53/857163653.db2.gz CTXYBVRRTQDZRR-YGRLFVJLSA-N -2 0 350.279 0.543 20 0 FCADRL CCOC(=O)c1ccc(O)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001228104293 857191348 /nfs/dbraw/zinc/19/13/48/857191348.db2.gz MYMHSINZALZXII-QPUJVOFHSA-N -2 0 356.283 0.011 20 0 FCADRL CCC(=O)c1c(O)cc(O)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228554360 857215428 /nfs/dbraw/zinc/21/54/28/857215428.db2.gz HXWYEFMDZRJIHH-CPFSXVBKSA-N -2 0 356.283 0.132 20 0 FCADRL CCOC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc1C ZINC001228808847 857231406 /nfs/dbraw/zinc/23/14/06/857231406.db2.gz DIIJKSJWBRHTTE-CABZTGNLSA-N -2 0 355.299 0.009 20 0 FCADRL COC(=O)c1c(F)cc(F)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228908243 857237057 /nfs/dbraw/zinc/23/70/57/857237057.db2.gz MENNGCWHYDFYJG-UPONEAKYSA-N -2 0 362.237 0.193 20 0 FCADRL O=C(Oc1cccc(O)c1Br)[C@H](O)COP(=O)([O-])[O-] ZINC001229142880 857253378 /nfs/dbraw/zinc/25/33/78/857253378.db2.gz RSFPSDGMNAXBJL-ZCFIWIBFSA-N -2 0 357.049 0.530 20 0 FCADRL Cc1csc2nc(=S)[nH]c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c12 ZINC001229352508 857265850 /nfs/dbraw/zinc/26/58/50/857265850.db2.gz IAEVPSAMQGBEGP-XNCJUZBTSA-N -2 0 372.380 0.730 20 0 FCADRL CCCC(=O)Nc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001229484381 857272070 /nfs/dbraw/zinc/27/20/70/857272070.db2.gz LMQAQFCKYSJGBU-BXUZGUMPSA-N -2 0 353.327 0.867 20 0 FCADRL CCOC(=O)c1cc(Cl)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001229562331 857274794 /nfs/dbraw/zinc/27/47/94/857274794.db2.gz GKULIHOODVFVFU-CABZTGNLSA-N -2 0 374.729 0.959 20 0 FCADRL COC(=O)c1cc(Cl)c(C)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001229853877 857290205 /nfs/dbraw/zinc/29/02/05/857290205.db2.gz JAXNNXDYHNKPBG-PRHODGIISA-N -2 0 374.729 0.877 20 0 FCADRL O=S(=O)([O-])c1cc(O)c(O[C@@H]2CCOC[C@H]2F)c(S(=O)(=O)[O-])c1 ZINC001230144245 857307312 /nfs/dbraw/zinc/30/73/12/857307312.db2.gz MGAGFVILYFUMSZ-VXNVDRBHSA-N -2 0 372.348 0.391 20 0 FCADRL CC(=O)CCc1ccc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001230397839 857333369 /nfs/dbraw/zinc/33/33/69/857333369.db2.gz HTQABYIDWOYLTN-YGRLFVJLSA-N -2 0 354.311 0.356 20 0 FCADRL COC(=O)C[C@H](C)c1cccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1 ZINC001231014125 857353881 /nfs/dbraw/zinc/35/38/81/857353881.db2.gz YUQBHRKWBLRAJD-JOYOIKCWSA-N -2 0 362.271 0.729 20 0 FCADRL Cn1c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc2cc(Cl)cnc21 ZINC001231086842 857355764 /nfs/dbraw/zinc/35/57/64/857355764.db2.gz GBFUTTAPBTXKQQ-RCOVLWMOSA-N -2 0 357.706 0.064 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc(=O)oc2ccc(F)cc12)[C@H](O)C(=O)[O-] ZINC001231180457 857356544 /nfs/dbraw/zinc/35/65/44/857356544.db2.gz OLDWVIQSOVEJOL-SDBXPKJASA-N -2 0 354.242 0.374 20 0 FCADRL Cc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc(C(F)(F)F)c1 ZINC001233559791 857387562 /nfs/dbraw/zinc/38/75/62/857387562.db2.gz RCKRLCFXHVNQEG-QUBYGPBYSA-N -2 0 351.233 0.851 20 0 FCADRL CCOC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1C ZINC001233806155 857390556 /nfs/dbraw/zinc/39/05/56/857390556.db2.gz WKAHZIWLBOZGAC-YPMHNXCESA-N -2 0 354.311 0.614 20 0 FCADRL COC(=O)C[C@@H]1CCc2cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])ccc21 ZINC001233779180 857390606 /nfs/dbraw/zinc/39/06/06/857390606.db2.gz JGIAGROWIPTDGQ-GXFFZTMASA-N -2 0 374.282 0.655 20 0 FCADRL COC(=O)c1cc(Cl)cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001234622644 857410962 /nfs/dbraw/zinc/41/09/62/857410962.db2.gz IGEYUTYASHSSBX-MWLCHTKSSA-N -2 0 360.702 0.568 20 0 FCADRL COc1cc(O)cc(C(C)=O)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234789088 857412372 /nfs/dbraw/zinc/41/23/72/857412372.db2.gz FLOMOANVUURPDI-JOYOIKCWSA-N -2 0 356.283 0.045 20 0 FCADRL COc1c(Cl)ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1F ZINC001234965927 857416720 /nfs/dbraw/zinc/41/67/20/857416720.db2.gz YAXGYBFLXWEQIQ-FWOIEVBISA-N -2 0 350.682 0.930 20 0 FCADRL O=C1[N-]C(=O)[C@@H]([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)S1 ZINC001251236993 857709728 /nfs/dbraw/zinc/70/97/28/857709728.db2.gz RCWVVSITYMJYFO-QMMMGPOBSA-N -2 0 362.257 0.970 20 0 FCADRL O=[P@@]([O-])(O)CC[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC001251239670 857710128 /nfs/dbraw/zinc/71/01/28/857710128.db2.gz PYHVJEWRXWERNT-UHFFFAOYSA-N -2 0 355.177 0.838 20 0 FCADRL CC(C)OC[C@H](O)CNc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001252682560 857834270 /nfs/dbraw/zinc/83/42/70/857834270.db2.gz IPSQHCSPYIVONE-SECBINFHSA-N -2 0 369.417 0.378 20 0 FCADRL COC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cn(C)cn2)cc1 ZINC001259000943 858220804 /nfs/dbraw/zinc/22/08/04/858220804.db2.gz YIKVCFJQRADICK-UHFFFAOYSA-N -2 0 374.400 0.266 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)NCC[P@](=O)([O-])O)c(F)cc1Cl ZINC001259222725 858249177 /nfs/dbraw/zinc/24/91/77/858249177.db2.gz DEQJKKOUBQZSLR-UHFFFAOYSA-N -2 0 361.671 0.633 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)C2CCOCC2)c([O-])c1 ZINC001259914929 858305692 /nfs/dbraw/zinc/30/56/92/858305692.db2.gz DSODZXYRBALFGY-UHFFFAOYSA-N -2 0 364.445 0.563 20 0 FCADRL COC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccn(C)n2)cc1 ZINC001259944120 858313734 /nfs/dbraw/zinc/31/37/34/858313734.db2.gz IRSVKNNZGRAPFH-UHFFFAOYSA-N -2 0 374.400 0.266 20 0 FCADRL CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1cnccn1 ZINC001260194710 858354373 /nfs/dbraw/zinc/35/43/73/858354373.db2.gz PCARYLNUJFCXFU-ZDUSSCGKSA-N -2 0 365.367 0.758 20 0 FCADRL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n(C)n1 ZINC001260392991 858365550 /nfs/dbraw/zinc/36/55/50/858365550.db2.gz YCWAKVLMVBPMBD-UHFFFAOYSA-N -2 0 355.328 0.411 20 0 FCADRL COC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260393072 858365940 /nfs/dbraw/zinc/36/59/40/858365940.db2.gz JIPZOJKHXRMZDV-UHFFFAOYSA-N -2 0 353.312 0.468 20 0 FCADRL CCN(CC)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC001318520354 867686278 /nfs/dbraw/zinc/68/62/78/867686278.db2.gz GLZTXHSYRKQUQJ-UHFFFAOYSA-N -2 0 370.456 0.539 20 0 FCADRL COc1cc([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cc(OC)c1OC ZINC000324496449 971125700 /nfs/dbraw/zinc/12/57/00/971125700.db2.gz PTQLQXMJKYKYQV-UHFFFAOYSA-N -2 0 357.344 0.935 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001602950413 971927177 /nfs/dbraw/zinc/92/71/77/971927177.db2.gz VWGUWJOMPGLGGZ-PUUHTONNSA-N -2 0 366.336 0.972 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1csc(=O)[nH]1 ZINC001594888344 954484536 /nfs/dbraw/zinc/48/45/36/954484536.db2.gz CCJOVEFKXHRYGO-FSPLSTOPSA-N -2 0 367.305 0.585 20 0 FCADRL COC(=O)CC[C@H]([N-]S(=O)(=O)c1occc1Br)C(=O)[O-] ZINC001593850024 955447548 /nfs/dbraw/zinc/44/75/48/955447548.db2.gz XATTXAOOHQFBMN-ZETCQYMHSA-N -2 0 370.177 0.727 20 0 FCADRL COC[C@@]1(C(=O)[O-])CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C1 ZINC001593968866 956591655 /nfs/dbraw/zinc/59/16/55/956591655.db2.gz ZBPCLOQSMONUAN-OAHLLOKOSA-N -2 0 356.400 0.621 20 0 FCADRL COc1cc(-c2nc(CC(=O)[O-])no2)cc([N-]S(C)(=O)=O)c1OC ZINC001594047291 957943067 /nfs/dbraw/zinc/94/30/67/957943067.db2.gz DIRVNPZBACRSHS-UHFFFAOYSA-N -2 0 357.344 0.752 20 0 FCADRL O=C([O-])CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1[O-] ZINC001574893253 957958513 /nfs/dbraw/zinc/95/85/13/957958513.db2.gz WVXUCWVBSHICQD-UHFFFAOYSA-N -2 0 364.379 0.685 20 0 FCADRL CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)[N-]OC[C@@H]2CCOC2)C1 ZINC001573450760 958873961 /nfs/dbraw/zinc/87/39/61/958873961.db2.gz HSQNSLDWQOAQBM-BZNIZROVSA-N -2 0 374.390 0.161 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cn1 ZINC001594169468 958974108 /nfs/dbraw/zinc/97/41/08/958974108.db2.gz OIDDFWIYYOCBGM-GFCCVEGCSA-N -2 0 364.383 0.274 20 0 FCADRL Cc1[nH]nc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1[O-] ZINC001594441207 959271593 /nfs/dbraw/zinc/27/15/93/959271593.db2.gz UZYFHCFEVDHUQL-SVRRBLITSA-N -3 0 364.280 0.160 20 0 FCADRL C[C@@](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)(C(=O)[O-])c1ccccc1 ZINC001573593315 959410062 /nfs/dbraw/zinc/41/00/62/959410062.db2.gz DLOJOKBHNXUWQV-KRWDZBQOSA-N -2 0 355.354 0.230 20 0 FCADRL CCC/C=C\[C@H](O)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001573841395 961081394 /nfs/dbraw/zinc/08/13/94/961081394.db2.gz SLSDFSGLNXHSBD-GULSAJCISA-N -2 0 366.336 0.826 20 0 FCADRL O=C([O-])[C@H](Cc1ccncc1)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001574546466 961948107 /nfs/dbraw/zinc/94/81/07/961948107.db2.gz BBCXEZTTYZTFMG-ZDUSSCGKSA-N -2 0 369.337 0.087 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CCc2ccc3c(c2)OCCO3)on1 ZINC000316241889 963993523 /nfs/dbraw/zinc/99/35/23/963993523.db2.gz QCQSMZBYWMJICH-UHFFFAOYSA-N -2 0 354.340 0.665 20 0 FCADRL C[C@@H](CN(C)C(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1)c1nnn[n-]1 ZINC001609902266 970594148 /nfs/dbraw/zinc/59/41/48/970594148.db2.gz QLTPRCWSJAJRFT-GWCFXTLKSA-N -2 0 357.374 0.481 20 0 FCADRL Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000320257693 970638609 /nfs/dbraw/zinc/63/86/09/970638609.db2.gz YTSQPXHKJZIWKP-UHFFFAOYSA-N -2 0 359.385 0.621 20 0 FCADRL C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ncccn2)c1)C(=O)[O-] ZINC001604988887 972577902 /nfs/dbraw/zinc/57/79/02/972577902.db2.gz HERDZFZZSATGFS-SECBINFHSA-N -2 0 365.371 0.872 20 0 FCADRL CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)ccc1[O-] ZINC001604249109 972775854 /nfs/dbraw/zinc/77/58/54/972775854.db2.gz QPTYUYYBKBPAIS-ONGXEEELSA-N -2 0 372.399 0.509 20 0 FCADRL CNc1ccc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])cn1 ZINC001604254498 972793163 /nfs/dbraw/zinc/79/31/63/972793163.db2.gz YCROHGYUJMKRPC-KOLCDFICSA-N -2 0 374.319 0.860 20 0 FCADRL O=C([O-])[C@]1(NS(=O)(=O)c2c([O-])cccc2OC(F)(F)F)CCOC1 ZINC001605961650 972934520 /nfs/dbraw/zinc/93/45/20/972934520.db2.gz JVSXHYHSDVGDLY-NSHDSACASA-N -2 0 371.289 0.813 20 0 FCADRL O=C([O-])[C@@]1(NS(=O)(=O)c2c([O-])cccc2OC(F)(F)F)CCOC1 ZINC001605961645 972934752 /nfs/dbraw/zinc/93/47/52/972934752.db2.gz JVSXHYHSDVGDLY-LLVKDONJSA-N -2 0 371.289 0.813 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1CCC1 ZINC001605974766 972994976 /nfs/dbraw/zinc/99/49/76/972994976.db2.gz WDEOWLFGZZUYHF-IUCAKERBSA-N -2 0 358.338 0.465 20 0 FCADRL CC(C)Oc1ncccc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001591811313 976043823 /nfs/dbraw/zinc/04/38/23/976043823.db2.gz JLEXLHZWBJIXOL-UHFFFAOYSA-N -2 0 371.415 0.640 20 0 FCADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)NCC(=O)NCC(=O)[O-])n2)c1 ZINC001591983962 976605635 /nfs/dbraw/zinc/60/56/35/976605635.db2.gz VXHLBPWLERLJGL-UHFFFAOYSA-N -2 0 360.370 0.632 20 0 FCADRL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]c1nc(CN2CCOCC2)cs1 ZINC000738693703 978590784 /nfs/dbraw/zinc/59/07/84/978590784.db2.gz MWANTGUXOBOLSM-UHFFFAOYSA-N -2 0 373.416 0.197 20 0 FCADRL C[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C(=O)[O-] ZINC001592694745 979149896 /nfs/dbraw/zinc/14/98/96/979149896.db2.gz ZYHQOTMQXYGXSQ-JTQLQIEISA-N -2 0 356.400 0.627 20 0 FCADRL C[C@@H](CS(=O)(=O)N(CCOc1ccccc1)[C@@H](C)C(=O)[O-])C(=O)[O-] ZINC001592790175 979437643 /nfs/dbraw/zinc/43/76/43/979437643.db2.gz WYVPOEXNDVNMTB-RYUDHWBXSA-N -2 0 359.400 0.891 20 0 FCADRL C[C@@H](CS(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cccc(F)c2)C1)C(=O)[O-] ZINC001592800109 979457573 /nfs/dbraw/zinc/45/75/73/979457573.db2.gz JRYPOPYSJUVCRE-BIMULSAOSA-N -2 0 359.375 0.976 20 0 FCADRL C[C@H](CS(=O)(=O)N[C@H](Cc1c[nH]c2cccnc12)C(=O)[O-])C(=O)[O-] ZINC001592807200 979473820 /nfs/dbraw/zinc/47/38/20/979473820.db2.gz LLXLFMYFZGEFFJ-LDYMZIIASA-N -2 0 355.372 0.199 20 0 FCADRL C[C@@H](CS(=O)(=O)NC1CCN(c2ccc(C(=O)[O-])cc2)CC1)C(=O)[O-] ZINC001592809516 979489152 /nfs/dbraw/zinc/48/91/52/979489152.db2.gz XCJOWQDSDNZXJH-NSHDSACASA-N -2 0 370.427 0.994 20 0 FCADRL C[C@@H](NC(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001592969976 980104479 /nfs/dbraw/zinc/10/44/79/980104479.db2.gz APJUIWZJSHCRFF-FLMCSSBNSA-N -2 0 368.430 0.951 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)C1=O ZINC001595371741 980854911 /nfs/dbraw/zinc/85/49/11/980854911.db2.gz MINQZDMUTMASBE-RZIFZGNASA-N -2 0 367.383 0.698 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])C1=O ZINC001595372116 980858379 /nfs/dbraw/zinc/85/83/79/980858379.db2.gz XZQYOJGTYRGORN-CQSZACIVSA-N -2 0 355.372 0.607 20 0 FCADRL CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001595506234 981286586 /nfs/dbraw/zinc/28/65/86/981286586.db2.gz SVHZEVCMKWVHBQ-LLGDCAAFSA-N -2 0 364.445 0.165 20 0 FCADRL CCCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001595523684 981348827 /nfs/dbraw/zinc/34/88/27/981348827.db2.gz OJDCNQHQJVWVIN-NSHDSACASA-N -2 0 362.448 0.582 20 0 FCADRL CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001595597942 981566018 /nfs/dbraw/zinc/56/60/18/981566018.db2.gz DOPVHOWZPHIUCC-CYBMUJFWSA-N -2 0 370.427 0.435 20 0 FCADRL CC[C@@](C)(CNS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)[O-])C(=O)[O-] ZINC001594834643 982021243 /nfs/dbraw/zinc/02/12/43/982021243.db2.gz HUDBWGWCAUZPES-HNNXBMFYSA-N -2 0 373.383 0.951 20 0 FCADRL CC[C@](C)(CNS(=O)(=O)c1cc(C(=O)[O-])ccc1C(=O)OC)C(=O)[O-] ZINC001594834694 982022163 /nfs/dbraw/zinc/02/21/63/982022163.db2.gz JWSHOPJUKGVCGT-OAHLLOKOSA-N -2 0 373.383 0.951 20 0 FCADRL CCCCn1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c(C)n1 ZINC001595805588 982632357 /nfs/dbraw/zinc/63/23/57/982632357.db2.gz YOFQIZOLEYTVRK-UHFFFAOYSA-N -2 0 372.447 0.763 20 0 FCADRL CCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1=O ZINC001595896631 982941775 /nfs/dbraw/zinc/94/17/75/982941775.db2.gz MYSSJSDWJXDFDE-LLVKDONJSA-N -2 0 354.384 0.448 20 0 FCADRL CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001596510383 984278277 /nfs/dbraw/zinc/27/82/77/984278277.db2.gz LMDHQZWCSDAIHQ-UHFFFAOYSA-N -2 0 357.384 0.920 20 0 FCADRL CCOC(=O)C1(C(=O)[N-]S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC001596542568 984387882 /nfs/dbraw/zinc/38/78/82/984387882.db2.gz KLUQHPRFAUIEKX-UHFFFAOYSA-N -2 0 356.356 0.501 20 0 FCADRL CCOC(=O)Cn1cnc([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)n1 ZINC001596637613 984627041 /nfs/dbraw/zinc/62/70/41/984627041.db2.gz CARVKANMVUKTED-UHFFFAOYSA-N -2 0 368.371 0.481 20 0 FCADRL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)[C@H](O)c1ccc2c(c1)OCO2 ZINC001599903121 984878978 /nfs/dbraw/zinc/87/89/78/984878978.db2.gz ZDAWDTRNRZKOIU-CPFSXVBKSA-N -2 0 370.339 0.502 20 0 FCADRL CCOC(=O)c1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)n1C ZINC001596739393 985034597 /nfs/dbraw/zinc/03/45/97/985034597.db2.gz BMIXFTXDJCCWMG-UHFFFAOYSA-N -2 0 357.344 0.997 20 0 FCADRL CC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)[O-] ZINC001589030751 985064298 /nfs/dbraw/zinc/06/42/98/985064298.db2.gz WSDOXOJEPODIKU-SSDOTTSWSA-N -2 0 351.283 0.374 20 0 FCADRL CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)cc1 ZINC001589046021 985116079 /nfs/dbraw/zinc/11/60/79/985116079.db2.gz GBKKECXIJUSOIX-UHFFFAOYSA-N -2 0 352.372 0.902 20 0 FCADRL CC(=O)N(CCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])Cc1ccccc1 ZINC001589047398 985130227 /nfs/dbraw/zinc/13/02/27/985130227.db2.gz POBOXFGGPDIJIE-LLVKDONJSA-N -2 0 356.400 0.344 20 0 FCADRL CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001589054269 985151032 /nfs/dbraw/zinc/15/10/32/985151032.db2.gz LALZFGFIOMEFTO-AWEZNQCLSA-N -2 0 366.395 0.871 20 0 FCADRL CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001589093360 985283677 /nfs/dbraw/zinc/28/36/77/985283677.db2.gz PSLWWBAILACZGI-HZMBPMFUSA-N -2 0 368.411 0.442 20 0 FCADRL CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001589093363 985283864 /nfs/dbraw/zinc/28/38/64/985283864.db2.gz PSLWWBAILACZGI-YGRLFVJLSA-N -2 0 368.411 0.442 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001599941123 985455744 /nfs/dbraw/zinc/45/57/44/985455744.db2.gz JZYDHCPLQUDBLZ-MNOVXSKESA-N -2 0 357.370 0.860 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC001589200354 985649064 /nfs/dbraw/zinc/64/90/64/985649064.db2.gz LTQKGCAFJBJHPX-UHFFFAOYSA-N -2 0 351.340 0.790 20 0 FCADRL CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001596875393 985718626 /nfs/dbraw/zinc/71/86/26/985718626.db2.gz AYERKOJUOQUGTK-LBPRGKRZSA-N -2 0 363.374 0.134 20 0 FCADRL CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)s1 ZINC001589277088 985991332 /nfs/dbraw/zinc/99/13/32/985991332.db2.gz BPSPBXHYPSCAFM-UHFFFAOYSA-N -2 0 360.413 0.722 20 0 FCADRL CCOCCN(C[C@H](C)C(=O)[O-])S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001596924216 986000894 /nfs/dbraw/zinc/00/08/94/986000894.db2.gz PMDSDRWKHFPOHO-NSHDSACASA-N -2 0 366.436 0.087 20 0 FCADRL CCOCCS(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001596944974 986078969 /nfs/dbraw/zinc/07/89/69/986078969.db2.gz RWFCXVPSBHLAKD-UHFFFAOYSA-N -2 0 367.383 0.667 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)nnn1C ZINC001599982028 986177192 /nfs/dbraw/zinc/17/71/92/986177192.db2.gz PHHIGVJCOKELQE-UHFFFAOYSA-N -2 0 358.763 0.594 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])nnn1Cc1ccc(F)cc1 ZINC001599982466 986183526 /nfs/dbraw/zinc/18/35/26/986183526.db2.gz VZEHDRYTFRLHJI-UHFFFAOYSA-N -2 0 370.362 0.308 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCCCC2)[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC001594549135 986245382 /nfs/dbraw/zinc/24/53/82/986245382.db2.gz AQWDMWJWQZAQNL-IJLUTSLNSA-N -2 0 363.432 0.914 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)[C@H](C(=O)[O-])[C@H](C)O1 ZINC001594557089 986300354 /nfs/dbraw/zinc/30/03/54/986300354.db2.gz NYCYGAPEXAJLLU-BFVZDQMLSA-N -2 0 357.384 0.565 20 0 FCADRL C[C@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC[C@H]1CCC(=O)[O-] ZINC001594562602 986335551 /nfs/dbraw/zinc/33/55/51/986335551.db2.gz VBOYYPHKISDYPX-WDEREUQCSA-N -2 0 359.404 0.479 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CSCc1cscn1 ZINC001589452721 986850364 /nfs/dbraw/zinc/85/03/64/986850364.db2.gz MRCRWUPTHJSNMQ-HTQZYQBOSA-N -2 0 352.459 0.932 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCN(C)C(=O)OC(C)(C)C ZINC001589453192 986858515 /nfs/dbraw/zinc/85/85/15/986858515.db2.gz OSSJFAFPCUKECF-ZJUUUORDSA-N -2 0 366.436 0.799 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C)c2ccccc21 ZINC001589453229 986858601 /nfs/dbraw/zinc/85/86/01/986858601.db2.gz PCIZXNOGZRYIDV-HOSYDEDBSA-N -2 0 368.411 0.692 20 0 FCADRL CCOc1ccc(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1C(=O)[O-] ZINC001597133837 986863279 /nfs/dbraw/zinc/86/32/79/986863279.db2.gz HDOJLTIZVZNIJH-JTQLQIEISA-N -2 0 373.383 0.648 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1c(Cl)nn(C)c1Cl ZINC001589454370 986877688 /nfs/dbraw/zinc/87/76/88/986877688.db2.gz VKLLNCGOJAUNSU-RFZPGFLSSA-N -2 0 358.203 0.896 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(N2CCNC2=O)cc1 ZINC001589454810 986885310 /nfs/dbraw/zinc/88/53/10/986885310.db2.gz RJTCYNRITUHTOX-UWVGGRQHSA-N -2 0 369.399 0.385 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC001589454983 986889529 /nfs/dbraw/zinc/88/95/29/986889529.db2.gz TXMVKUPKVXGIMT-SFYZADRCSA-N -2 0 355.372 0.448 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC001589455054 986890319 /nfs/dbraw/zinc/89/03/19/986890319.db2.gz ZDWJIHKQOVNRCH-HBJVGIJOSA-N -2 0 371.411 0.698 20 0 FCADRL C[C@H](C(=O)[O-])N(Cc1cccnc1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001589487266 987046784 /nfs/dbraw/zinc/04/67/84/987046784.db2.gz XIJNSTPQDHYXOS-LLVKDONJSA-N -2 0 371.415 0.398 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001589490685 987055289 /nfs/dbraw/zinc/05/52/89/987055289.db2.gz DPIQTCBAYMCKOC-LURJTMIESA-N -2 0 351.283 0.470 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC001589490738 987056515 /nfs/dbraw/zinc/05/65/15/987056515.db2.gz FDMSZOGCZWXHPH-ZETCQYMHSA-N -2 0 373.387 0.833 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C ZINC001589493641 987069052 /nfs/dbraw/zinc/06/90/52/987069052.db2.gz FAIFJAOFMJZNJD-BDAKNGLRSA-N -2 0 366.461 0.243 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1CCC(NC(=O)C(C)(C)C)CC1 ZINC001589494759 987072328 /nfs/dbraw/zinc/07/23/28/987072328.db2.gz KZPICTOPZNULFZ-KPPDAEKUSA-N -2 0 362.448 0.627 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001597231751 987191752 /nfs/dbraw/zinc/19/17/52/987191752.db2.gz WLXSKPWCOSKQQW-UHFFFAOYSA-N -2 0 367.387 0.168 20 0 FCADRL CC[C@@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C(=O)[O-] ZINC001597285543 987361254 /nfs/dbraw/zinc/36/12/54/987361254.db2.gz UATIMOCERUDEGK-LLVKDONJSA-N -2 0 363.370 0.903 20 0 FCADRL CC(C)(C(=O)[O-])n1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)cn1 ZINC001589670201 987664065 /nfs/dbraw/zinc/66/40/65/987664065.db2.gz ZWUZFCIWUDAWBR-UHFFFAOYSA-N -2 0 367.387 0.722 20 0 FCADRL CC(C)(C)C(=O)CCCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001589685930 987729088 /nfs/dbraw/zinc/72/90/88/987729088.db2.gz KAPIVIJVGHPVKL-UHFFFAOYSA-N -2 0 362.448 0.930 20 0 FCADRL CC(C)(C)C(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1 ZINC001589693299 987765264 /nfs/dbraw/zinc/76/52/64/987765264.db2.gz FYHNYJKGCIATJL-UHFFFAOYSA-N -2 0 356.400 0.493 20 0 FCADRL CCc1cc(C(=O)[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)[nH]n1 ZINC001597431084 987771677 /nfs/dbraw/zinc/77/16/77/987771677.db2.gz HYVZHACRGSSTHJ-UHFFFAOYSA-N -2 0 355.347 0.857 20 0 FCADRL CSCCN(CC(=O)[O-])S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001599800270 988163856 /nfs/dbraw/zinc/16/38/56/988163856.db2.gz RNNDWQLDNWJPIT-UHFFFAOYSA-N -2 0 351.377 0.962 20 0 FCADRL CCc1ccc(NC(=O)C(=O)N[C@H](C(=O)[O-])c2ccnn2C)c(C(=O)[O-])c1 ZINC001597537780 988217442 /nfs/dbraw/zinc/21/74/42/988217442.db2.gz QPSRBHHONYXVGN-ZDUSSCGKSA-N -2 0 374.353 0.561 20 0 FCADRL CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2n[nH]c(=O)[n-]c2=O)cc1 ZINC001599811712 988348041 /nfs/dbraw/zinc/34/80/41/988348041.db2.gz VSCCBEOHUHEPRY-SECBINFHSA-N -2 0 350.356 0.951 20 0 FCADRL CC(C)(C)OC(=O)N1CC(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001589920177 988652693 /nfs/dbraw/zinc/65/26/93/988652693.db2.gz IJSXTIWNGAJZKB-UHFFFAOYSA-N -2 0 364.420 0.410 20 0 FCADRL CCc1nc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)sc1C(=O)[O-] ZINC001597685696 988842236 /nfs/dbraw/zinc/84/22/36/988842236.db2.gz XTYSYFNDAUYUTF-UHFFFAOYSA-N -2 0 358.401 0.642 20 0 FCADRL CC(C)(C)OC(=O)N[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001590296793 989718360 /nfs/dbraw/zinc/71/83/60/989718360.db2.gz MTCZZLJPRPKMMX-ZKCHVHJHSA-N -2 0 361.376 0.707 20 0 FCADRL CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])[N-]S(=O)(=O)N=S(C)(C)=O ZINC001590343958 989794326 /nfs/dbraw/zinc/79/43/26/989794326.db2.gz SVGANNFVNFKENK-QMMMGPOBSA-N -2 0 358.438 0.124 20 0 FCADRL CC(C)(C)OCCN(CCC(=O)[O-])S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001590388742 989909329 /nfs/dbraw/zinc/90/93/29/989909329.db2.gz SBYXNBUYELOEOV-UHFFFAOYSA-N -2 0 362.404 0.993 20 0 FCADRL CC(C)(C)OC[C@H](NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])C(=O)[O-] ZINC001590388784 989910348 /nfs/dbraw/zinc/91/03/48/989910348.db2.gz ISNDXAOTVJDCMQ-OUAUKWLOSA-N -2 0 351.421 0.818 20 0 FCADRL CC(C)(C)OC[C@H](NS(=O)(=O)c1csnc1C(=O)[O-])C(=O)[O-] ZINC001590389174 989913950 /nfs/dbraw/zinc/91/39/50/989913950.db2.gz OVHGEBZNEZKCNO-LURJTMIESA-N -2 0 352.390 0.388 20 0 FCADRL CCn1nccc1S(=O)(=O)[N-]c1cccc(-n2cc(C(=O)[O-])nn2)c1 ZINC001597968139 990011068 /nfs/dbraw/zinc/01/10/68/990011068.db2.gz OPCNRUQWHUWUSD-UHFFFAOYSA-N -2 0 362.371 0.983 20 0 FCADRL CC(C)(CCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21)C(=O)[O-] ZINC001590671070 990379104 /nfs/dbraw/zinc/37/91/04/990379104.db2.gz LZIKZFSWECRRHB-LBPRGKRZSA-N -2 0 364.354 0.482 20 0 FCADRL CN(C)C(=O)N1CCC(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001598139090 990592235 /nfs/dbraw/zinc/59/22/35/990592235.db2.gz ROVBXIVZNQDPCS-UHFFFAOYSA-N -2 0 373.387 0.176 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@@]1(c2ccccc2)CNC(=O)C1)C(=O)[O-] ZINC001590798359 990621670 /nfs/dbraw/zinc/62/16/70/990621670.db2.gz UCXPTJOWRAQTAB-MRXNPFEDSA-N -2 0 368.411 0.001 20 0 FCADRL COc1cccc([C@@H]2CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])[C@H]2C(=O)[O-])c1 ZINC001599684194 990959766 /nfs/dbraw/zinc/95/97/66/990959766.db2.gz QAFFUNUJMVTCRJ-LEWSCRJBSA-N -2 0 371.411 0.988 20 0 FCADRL CC(C)[C@H](CNC(=O)C(=O)NCCc1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC001590982185 991146570 /nfs/dbraw/zinc/14/65/70/991146570.db2.gz GEUDRVFUKPTMTQ-ZDUSSCGKSA-N -2 0 350.371 0.517 20 0 FCADRL CC(C)[C@H](CNC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)[O-] ZINC001590989215 991196282 /nfs/dbraw/zinc/19/62/82/991196282.db2.gz SOJORDVNWWEXIE-LBPRGKRZSA-N -2 0 351.359 0.979 20 0 FCADRL CN(CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)[C@H]1CCSC1 ZINC001598396536 991657702 /nfs/dbraw/zinc/65/77/02/991657702.db2.gz KTJJQJAGLDSAKX-ZDUSSCGKSA-N -2 0 372.468 0.768 20 0 FCADRL COc1ncnc(N(C)C)c1[N-]S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001599738339 991808522 /nfs/dbraw/zinc/80/85/22/991808522.db2.gz FVNJMMAKPIEOJB-UHFFFAOYSA-N -2 0 367.387 0.754 20 0 FCADRL CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001599750181 991980464 /nfs/dbraw/zinc/98/04/64/991980464.db2.gz NHPKRLKAPOKNPX-UHFFFAOYSA-N -2 0 355.415 0.076 20 0 FCADRL CN(CCC(=O)[O-])C(=O)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001598469357 992001172 /nfs/dbraw/zinc/00/11/72/992001172.db2.gz BYTSBLYKGGSLQB-UHFFFAOYSA-N -2 0 373.365 0.684 20 0 FCADRL CS(=O)(=O)[N-]C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC001599756989 992068018 /nfs/dbraw/zinc/06/80/18/992068018.db2.gz BVLWDQQFUUYLTG-NSHDSACASA-N -2 0 358.372 0.222 20 0 FCADRL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)N[C@H](CO)C(=O)[O-] ZINC001599759885 992106016 /nfs/dbraw/zinc/10/60/16/992106016.db2.gz KNDGJXJXLGSSGL-CYBMUJFWSA-N -2 0 352.368 0.387 20 0 FCADRL CC(C)CCn1cc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)nn1 ZINC001591274113 992192326 /nfs/dbraw/zinc/19/23/26/992192326.db2.gz BWSQYEMMRFHBET-UHFFFAOYSA-N -2 0 356.360 0.734 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])cc1=O ZINC001591505681 992651325 /nfs/dbraw/zinc/65/13/25/992651325.db2.gz KEVCYBKWHBMFEC-LBPRGKRZSA-N -2 0 355.391 0.097 20 0 FCADRL CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001591556747 992756445 /nfs/dbraw/zinc/75/64/45/992756445.db2.gz SFRXGSBSQGFGEC-UHFFFAOYSA-N -2 0 366.399 0.885 20 0 FCADRL CN1C(=O)c2ccccc2[C@H]1CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001598556812 993065235 /nfs/dbraw/zinc/06/52/35/993065235.db2.gz SPISWMCACCTQQC-LLVKDONJSA-N -2 0 350.356 0.213 20 0 FCADRL COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)[C@@H]2C(=O)[O-])cc1C(=O)[O-] ZINC001599609629 993934583 /nfs/dbraw/zinc/93/45/83/993934583.db2.gz MEGNMQFMNDDXLH-MWODSPESSA-N -2 0 373.383 0.645 20 0 FCADRL COc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCC2)c(OC)c1C(=O)[O-] ZINC001599612465 993973191 /nfs/dbraw/zinc/97/31/91/993973191.db2.gz JLMZXQKOZJDDQP-UHFFFAOYSA-N -2 0 359.356 0.688 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@H]2CC=C(C(=O)[O-])C2)c(OC)c1C(=O)[O-] ZINC001599614467 993996431 /nfs/dbraw/zinc/99/64/31/993996431.db2.gz PMLUKZBLSVGKPF-VIFPVBQESA-N -2 0 371.367 0.854 20 0 FCADRL COc1ccc(S(=O)(=O)NCCSCC(=O)[O-])c(CC(=O)[O-])c1 ZINC001599616445 994020668 /nfs/dbraw/zinc/02/06/68/994020668.db2.gz JQSYICGVEKYYKO-UHFFFAOYSA-N -2 0 363.413 0.418 20 0 FCADRL Cn1nc([N-]S(=O)(=O)c2cccc3c2CCN(C)C3)cc1C(=O)[O-] ZINC001598626916 994111900 /nfs/dbraw/zinc/11/19/00/994111900.db2.gz WOFBLROVDVJHSS-UHFFFAOYSA-N -2 0 350.400 0.907 20 0 FCADRL CN1CCn2nc([N-]S(=O)(=O)c3ccc(F)cc3C(=O)[O-])cc2C1 ZINC001598627674 994124133 /nfs/dbraw/zinc/12/41/33/994124133.db2.gz DZRBNASUCMTCJQ-UHFFFAOYSA-N -2 0 354.363 0.967 20 0 FCADRL CN1Cc2cc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)ccc2NC1=O ZINC001598630129 994160472 /nfs/dbraw/zinc/16/04/72/994160472.db2.gz KPYVSKHUDGHCAS-UHFFFAOYSA-N -2 0 365.371 0.746 20 0 FCADRL CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001598655517 994514722 /nfs/dbraw/zinc/51/47/22/994514722.db2.gz IJYBDEBSJAHTPQ-UHFFFAOYSA-N -2 0 356.335 0.716 20 0 FCADRL CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)nc1 ZINC001598659401 994572623 /nfs/dbraw/zinc/57/26/23/994572623.db2.gz XZMBRNPYIOLWAH-UHFFFAOYSA-N -2 0 365.367 0.949 20 0 FCADRL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C23CC(C(=O)[O-])(C2)C3)cc1 ZINC001598659819 994578008 /nfs/dbraw/zinc/57/80/08/994578008.db2.gz XOEJUMSFWBIHSG-UHFFFAOYSA-N -2 0 352.368 0.106 20 0 FCADRL CNC(=O)c1cccc(CCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001598659940 994579261 /nfs/dbraw/zinc/57/92/61/994579261.db2.gz FZMOAUMTIDCSDZ-MNOVXSKESA-N -2 0 370.427 0.534 20 0 FCADRL COc1cccc(C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)C(=O)[O-])c1 ZINC001599671802 994825524 /nfs/dbraw/zinc/82/55/24/994825524.db2.gz PKXKTXMJJTXBFJ-LLVKDONJSA-N -2 0 369.351 0.961 20 0 FCADRL COC(=O)[C@H](CC(=O)[O-])NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001598692996 995093468 /nfs/dbraw/zinc/09/34/68/995093468.db2.gz BATAGJMGQRSCNV-JTQLQIEISA-N -2 0 367.745 0.977 20 0 FCADRL COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC001598693172 995096308 /nfs/dbraw/zinc/09/63/08/995096308.db2.gz BVJISKMHIXFTFJ-VIFPVBQESA-N -2 0 363.319 0.127 20 0 FCADRL C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)[N-]OCCCC(=O)[O-] ZINC001593420782 995218217 /nfs/dbraw/zinc/21/82/17/995218217.db2.gz WPUQBQKHZZYYAC-CYBMUJFWSA-N -2 0 366.292 0.531 20 0 FCADRL C[C@H](O[C@@H](C)C(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)C(=O)[O-] ZINC001593602895 995766394 /nfs/dbraw/zinc/76/63/94/995766394.db2.gz MQQMTTGMXREDNB-OYNCUSHFSA-N -2 0 370.383 0.546 20 0 FCADRL C[C@H](Oc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001593620033 995866709 /nfs/dbraw/zinc/86/67/09/995866709.db2.gz BFFJEAXDDOQFLY-JTQLQIEISA-N -2 0 374.390 0.751 20 0 FCADRL COC(=O)C[C@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C(=O)[O-] ZINC001598839108 996510280 /nfs/dbraw/zinc/51/02/80/996510280.db2.gz FPMVGNRVHDSZKH-JTQLQIEISA-N -2 0 367.745 0.977 20 0 FCADRL COC(=O)CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)[O-] ZINC001598857394 996649260 /nfs/dbraw/zinc/64/92/60/996649260.db2.gz MXDFYXGXRPOBNL-SSDOTTSWSA-N -2 0 351.358 0.131 20 0 FCADRL COC(=O)CC[C@H](NS(=O)(=O)c1cc(F)ccc1C(=O)[O-])C(=O)[O-] ZINC001598857894 996653211 /nfs/dbraw/zinc/65/32/11/996653211.db2.gz CCORPHVTAVUTGY-VIFPVBQESA-N -2 0 363.319 0.209 20 0 FCADRL COC(=O)CC[C@@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)C(=O)[O-] ZINC001598858756 996658695 /nfs/dbraw/zinc/65/86/95/996658695.db2.gz UNTFOMFTCIMCBC-SSDOTTSWSA-N -2 0 351.358 0.131 20 0 FCADRL COC(=O)COc1ccc(S(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)cc1 ZINC001598867255 996715091 /nfs/dbraw/zinc/71/50/91/996715091.db2.gz QHMWRHNJVLRCQZ-UHFFFAOYSA-N -2 0 367.339 0.527 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)cn1 ZINC001598875086 996758426 /nfs/dbraw/zinc/75/84/26/996758426.db2.gz QNMNOMVQHHZZGL-UHFFFAOYSA-N -2 0 371.346 0.623 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cn1 ZINC001598875151 996758961 /nfs/dbraw/zinc/75/89/61/996758961.db2.gz UIKOWIUUAWXQSL-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)N1[C@H](C(=O)[O-])CS[C@H]1C ZINC001599380779 996840627 /nfs/dbraw/zinc/84/06/27/996840627.db2.gz TVIANEGVELETSS-CBAPKCEASA-N -2 0 361.397 0.930 20 0 FCADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)N(CCSC)CC(=O)[O-] ZINC001599384396 996917593 /nfs/dbraw/zinc/91/75/93/996917593.db2.gz FUBRUXWUBVJEMV-UHFFFAOYSA-N -2 0 369.442 0.893 20 0 FCADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccnc2ncnn21 ZINC001599387795 996976017 /nfs/dbraw/zinc/97/60/17/996976017.db2.gz MONNJWYEABURKZ-UHFFFAOYSA-N -2 0 355.357 0.693 20 0 FCADRL CC1(C)CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)[C@@H](C(=O)[O-])CO1 ZINC001593947438 997004181 /nfs/dbraw/zinc/00/41/81/997004181.db2.gz VPZRAEGDRCYWSG-SNVBAGLBSA-N -2 0 361.347 0.777 20 0 FCADRL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)N(C)CCC(=O)[O-])c1OC ZINC001599397702 997158570 /nfs/dbraw/zinc/15/85/70/997158570.db2.gz JMTVHSKLLQRGPR-PLNGDYQASA-N -2 0 373.383 0.897 20 0 FCADRL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)NCCC(=O)[O-])c1OC ZINC001599397963 997162040 /nfs/dbraw/zinc/16/20/40/997162040.db2.gz GHZLZHQFIFIQIV-ARJAWSKDSA-N -2 0 359.356 0.555 20 0 FCADRL COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])C1 ZINC001599195045 997199753 /nfs/dbraw/zinc/19/97/53/997199753.db2.gz PACTVGUBNDOOTN-CQSZACIVSA-N -2 0 361.347 0.636 20 0 FCADRL COCC1(C(=O)[O-])CCN(S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC001599195965 997215928 /nfs/dbraw/zinc/21/59/28/997215928.db2.gz VDUDOYVCLMYVGP-UHFFFAOYSA-N -2 0 361.372 0.788 20 0 FCADRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)NC/C=C/C(=O)[O-] ZINC001598916444 997476888 /nfs/dbraw/zinc/47/68/88/997476888.db2.gz SPAVYZVGEAWKSF-ONEGZZNKSA-N -2 0 363.369 0.460 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)c1 ZINC001598921427 997571302 /nfs/dbraw/zinc/57/13/02/997571302.db2.gz FTKJKEDWIZVUHH-GFCCVEGCSA-N -2 0 371.367 0.703 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NCC[C@@H](C)C(=O)[O-])c1 ZINC001598921577 997574084 /nfs/dbraw/zinc/57/40/84/997574084.db2.gz HAQBGPRGORUMJM-MRVPVSSYSA-N -2 0 359.356 0.561 20 0 FCADRL COc1ccc(CC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])cc1OC ZINC001599548509 997965566 /nfs/dbraw/zinc/96/55/66/997965566.db2.gz GGGLZCDYRYCTBS-NXEZZACHSA-N -2 0 359.400 0.802 20 0 FCADRL COc1ccc(C[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1OC ZINC001599550093 997991365 /nfs/dbraw/zinc/99/13/65/997991365.db2.gz KQBVCJPIQSBNJF-UWVGGRQHSA-N -2 0 359.400 0.802 20 0 FCADRL CO[C@H]1CN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)[C@@](C)(C(=O)[O-])C1 ZINC001599136290 998049314 /nfs/dbraw/zinc/04/93/14/998049314.db2.gz CRGNKVICKNDJMB-IAQYHMDHSA-N -2 0 357.384 0.566 20 0 FCADRL CO[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C(=O)[O-])[C@@](C)(C(=O)[O-])C1 ZINC001599136360 998051054 /nfs/dbraw/zinc/05/10/54/998051054.db2.gz FQOSQJPKPZIQRU-LKFCYVNXSA-N -2 0 361.347 0.777 20 0 FCADRL CO[C@@H]1CN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)[C@@](C)(C(=O)[O-])C1 ZINC001599136429 998052104 /nfs/dbraw/zinc/05/21/04/998052104.db2.gz HPRXJGHQWCAUMZ-SWLSCSKDSA-N -2 0 357.384 0.779 20 0 FCADRL CO[C@@H]1CN(S(=O)(=O)Cc2ccccc2C(=O)[O-])[C@@](C)(C(=O)[O-])C1 ZINC001599136820 998058327 /nfs/dbraw/zinc/05/83/27/998058327.db2.gz UFCKAYFHJLVYTR-XHDPSFHLSA-N -2 0 357.384 0.779 20 0 FCADRL COc1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc([N-]S(C)(=O)=O)c1OC ZINC001599354562 998157044 /nfs/dbraw/zinc/15/70/44/998157044.db2.gz JOPMZUVRPIAXGK-AOOOYVTPSA-N -2 0 372.399 0.668 20 0 FCADRL COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])c1OC ZINC001599356557 998188406 /nfs/dbraw/zinc/18/84/06/998188406.db2.gz CJDOPUGSVQBAKN-MRVPVSSYSA-N -2 0 368.342 0.520 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CC(CO)C2)oc1Cl ZINC001598954569 998216953 /nfs/dbraw/zinc/21/69/53/998216953.db2.gz YOJLUZHKRCBOOO-UHFFFAOYSA-N -2 0 367.763 0.224 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]CCSCC(=O)[O-])oc1Cl ZINC001598954872 998220456 /nfs/dbraw/zinc/22/04/56/998220456.db2.gz PBTXSOVSOFDGAU-UHFFFAOYSA-N -2 0 357.793 0.816 20 0 FCADRL COc1cc(S(=O)(=O)N2CCC(OCC(=O)[O-])CC2)ccc1C(=O)[O-] ZINC001599460501 998265271 /nfs/dbraw/zinc/26/52/71/998265271.db2.gz SZRBSCCODXXACG-UHFFFAOYSA-N -2 0 373.383 0.648 20 0 FCADRL COc1cc(S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-])ccc1C(=O)[O-] ZINC001599460884 998271026 /nfs/dbraw/zinc/27/10/26/998271026.db2.gz GYYPFXGJHZTUHO-NSHDSACASA-N -2 0 361.372 0.550 20 0 FCADRL COc1ccc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1C(=O)[O-] ZINC001599566326 998292622 /nfs/dbraw/zinc/29/26/22/998292622.db2.gz RKZMWCNWZLRDTJ-UHFFFAOYSA-N -2 0 357.326 0.094 20 0 FCADRL COc1cc2c(cc1OC)CN(CC(=O)[N-]OCCCC(=O)[O-])CC2 ZINC001599464682 998337860 /nfs/dbraw/zinc/33/78/60/998337860.db2.gz NRAMPBWAWQFAED-UHFFFAOYSA-N -2 0 352.387 0.975 20 0 FCADRL COC[C@](C)([N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1)C(=O)[O-] ZINC001599155559 998366689 /nfs/dbraw/zinc/36/66/89/998366689.db2.gz WSZCOFUQUPUEQM-QKVFXAPYSA-N -2 0 350.418 0.467 20 0 FCADRL COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1O ZINC001598970900 998512479 /nfs/dbraw/zinc/51/24/79/998512479.db2.gz KXKVSXLBPMHJKL-UHFFFAOYSA-N -2 0 369.355 0.569 20 0 FCADRL COc1ccc(C(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1 ZINC001599478109 998565268 /nfs/dbraw/zinc/56/52/68/998565268.db2.gz HGCWFKRJGUXKPX-VHSXEESVSA-N -2 0 357.384 0.823 20 0 FCADRL COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)[N-]OCCCC(=O)[O-] ZINC001599479266 998581364 /nfs/dbraw/zinc/58/13/64/998581364.db2.gz NNZMSXDWKJMTBW-UHFFFAOYSA-N -2 0 367.358 0.248 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cn1 ZINC001598990650 998734059 /nfs/dbraw/zinc/73/40/59/998734059.db2.gz KZMLQQFERASLQR-UHFFFAOYSA-N -2 0 357.369 0.753 20 0 FCADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC001594209872 998813332 /nfs/dbraw/zinc/81/33/32/998813332.db2.gz JKIJAHJKQAKMIM-MNOVXSKESA-N -2 0 364.354 0.658 20 0 FCADRL COC(=O)c1cnc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)cn1 ZINC001599009238 998883201 /nfs/dbraw/zinc/88/32/01/998883201.db2.gz JENZBXPUTIUODB-UHFFFAOYSA-N -2 0 352.328 0.466 20 0 FCADRL COC(=O)c1sc(S(=O)(=O)NC/C=C/C(=O)[O-])c(C(=O)[O-])c1C ZINC001599022796 998994269 /nfs/dbraw/zinc/99/42/69/998994269.db2.gz UXPHDZYHSDIADM-ONEGZZNKSA-N -2 0 363.369 0.460 20 0 FCADRL CO[C@@H](C[C@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)C(=O)[O-])C1CC1 ZINC001599043116 999132051 /nfs/dbraw/zinc/13/20/51/999132051.db2.gz IJDMISOBGLBSRO-UWVGGRQHSA-N -2 0 363.413 0.993 20 0 FCADRL CO[C@@H](CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)CC(=O)[O-] ZINC001599055485 999226644 /nfs/dbraw/zinc/22/66/44/999226644.db2.gz MYMZJHXQWGXOFN-SECBINFHSA-N -2 0 351.764 0.806 20 0 FCADRL CO[C@@H](CS(=O)(=O)[N-]c1cccc(CC(=O)[O-])n1)C1CCOCC1 ZINC001599059692 999256152 /nfs/dbraw/zinc/25/61/52/999256152.db2.gz PQCJEQLBMDDFNF-ZDUSSCGKSA-N -2 0 358.416 0.892 20 0 FCADRL CC1CCC2(CC1)OC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)O2 ZINC001594334834 999285528 /nfs/dbraw/zinc/28/55/28/999285528.db2.gz XCUUCUBQVDCAID-XIRUVYRFSA-N -2 0 360.388 0.973 20 0 FCADRL CO[C@]1(C(=O)[O-])CCN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC001599071971 999339742 /nfs/dbraw/zinc/33/97/42/999339742.db2.gz ZMXQIZHMINPDAY-MRXNPFEDSA-N -2 0 363.395 0.387 20 0 FCADRL C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CC[C@H]1C(=O)[O-] ZINC001594454399 999656575 /nfs/dbraw/zinc/65/65/75/999656575.db2.gz NJCGUEIAVQVIJS-BXUZGUMPSA-N -2 0 362.382 0.912 20 0 FCADRL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cnn(C)c2C)ccc1F ZINC000291857235 214061361 /nfs/dbraw/zinc/06/13/61/214061361.db2.gz GGRUAIOJNSFFOD-UHFFFAOYSA-N -2 0 362.408 0.577 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC2=O)C(=O)[O-] ZINC000296792325 214365139 /nfs/dbraw/zinc/36/51/39/214365139.db2.gz AVSCGIJUDRPTBG-LBPRGKRZSA-N -2 0 355.368 0.802 20 0 FCADRL CCOC(=O)c1ccc(F)c(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000285323760 213323806 /nfs/dbraw/zinc/32/38/06/213323806.db2.gz ZXDOEJUYXMXYOR-SECBINFHSA-N -2 0 363.319 0.209 20 0 FCADRL C[C@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC[C@H]1C(=O)[O-] ZINC000277156222 212335465 /nfs/dbraw/zinc/33/54/65/212335465.db2.gz SAKZJCCXGVSZKZ-IONNQARKSA-N -2 0 368.371 0.167 20 0 FCADRL CCc1ccc(O)c(NS(=O)(=O)CCCS(=O)(=O)N(C)C)c1 ZINC000276591367 212261018 /nfs/dbraw/zinc/26/10/18/212261018.db2.gz QBTHOMZTDDLITR-UHFFFAOYSA-N -2 0 350.462 0.978 20 0 FCADRL CC(=O)N1CCCc2ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc21 ZINC000372269062 216858715 /nfs/dbraw/zinc/85/87/15/216858715.db2.gz WJMAAAUDVBEGPF-UHFFFAOYSA-N -2 0 370.383 0.146 20 0 FCADRL COC(=O)CC[C@H](NS(=O)(=O)c1ccc(F)c(F)c1F)C(=O)[O-] ZINC000275319011 212005120 /nfs/dbraw/zinc/00/51/20/212005120.db2.gz SBBJSKDCLIPZDG-ZETCQYMHSA-N -2 0 355.290 0.789 20 0 FCADRL C[C@H]1Cc2cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc(Cl)c2O1 ZINC000275024736 211949120 /nfs/dbraw/zinc/94/91/20/211949120.db2.gz SHCSHAKUTWKCBA-ZETCQYMHSA-N -2 0 363.775 0.823 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])ccc1Cl ZINC000274950594 211935326 /nfs/dbraw/zinc/93/53/26/211935326.db2.gz SMZORBRUNYDOLO-VIFPVBQESA-N -2 0 365.747 0.333 20 0 FCADRL C[C@@H]1CCCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@@H]1C(=O)[O-] ZINC000424374827 247200961 /nfs/dbraw/zinc/20/09/61/247200961.db2.gz ZPTXUYKWAKZJOU-XCBNKYQSSA-N -2 0 368.371 0.310 20 0 FCADRL CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cn1 ZINC000438766190 248095153 /nfs/dbraw/zinc/09/51/53/248095153.db2.gz QWLHMJTWBBYRSF-UHFFFAOYSA-N -2 0 370.362 0.609 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)nn1C ZINC000439069604 248109152 /nfs/dbraw/zinc/10/91/52/248109152.db2.gz UTXJNENDVJZDCR-UHFFFAOYSA-N -2 0 352.372 0.344 20 0 FCADRL Cc1cc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)ccc1OCC(=O)[O-] ZINC000468366392 249899685 /nfs/dbraw/zinc/89/96/85/249899685.db2.gz BGWQOTWLCBDISR-LLVKDONJSA-N -2 0 357.384 0.944 20 0 FCADRL Cc1nc(Cl)ccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000287622389 488888579 /nfs/dbraw/zinc/88/85/79/488888579.db2.gz SPYIODKIOCWHDN-RKDXNWHRSA-N -2 0 362.791 0.839 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cn1 ZINC000320601408 488900489 /nfs/dbraw/zinc/90/04/89/488900489.db2.gz XYPRUNQNKZPVAN-UHFFFAOYSA-N -2 0 358.401 0.498 20 0 FCADRL O=C([O-])CCC[C@@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)[O-] ZINC000278787749 488896008 /nfs/dbraw/zinc/89/60/08/488896008.db2.gz USMWJLHPHNEJQH-MRVPVSSYSA-N -2 0 355.319 0.135 20 0 FCADRL O=C([O-])CCC[C@@H](NS(=O)(=O)c1cnn(-c2ccccc2)c1)C(=O)[O-] ZINC000278805869 488897277 /nfs/dbraw/zinc/89/72/77/488897277.db2.gz WNKFXMDNJYUSRQ-CYBMUJFWSA-N -2 0 367.383 0.859 20 0 FCADRL COCCOc1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000324174650 488904933 /nfs/dbraw/zinc/90/49/33/488904933.db2.gz GMXFTXHECAZYEB-LBPRGKRZSA-N -2 0 361.372 0.308 20 0 FCADRL CC(=O)Nc1ccc(C)c(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000324173041 488904978 /nfs/dbraw/zinc/90/49/78/488904978.db2.gz FWIAMHSKZCGLKO-NSHDSACASA-N -2 0 358.372 0.550 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])cc1C(N)=O ZINC000324940098 488907577 /nfs/dbraw/zinc/90/75/77/488907577.db2.gz XCZHQMZXWRMNQD-UHFFFAOYSA-N -2 0 359.310 0.901 20 0 FCADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000024101635 487643031 /nfs/dbraw/zinc/64/30/31/487643031.db2.gz KGKFFKNHEJMHLU-UHFFFAOYSA-N -2 0 353.356 0.907 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000058124751 488279770 /nfs/dbraw/zinc/27/97/70/488279770.db2.gz COKWWCOFFYHLLT-SNVBAGLBSA-N -2 0 359.356 0.444 20 0 FCADRL CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cn1 ZINC000066242177 488326718 /nfs/dbraw/zinc/32/67/18/488326718.db2.gz TZEVQUFKHVJAMC-UHFFFAOYSA-N -2 0 352.372 0.470 20 0 FCADRL O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000262671914 488585528 /nfs/dbraw/zinc/58/55/28/488585528.db2.gz PRHRONUFPYJENI-VIFPVBQESA-N -2 0 354.344 0.064 20 0 FCADRL CCCC[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000274068575 488681939 /nfs/dbraw/zinc/68/19/39/488681939.db2.gz KKDOSTQCEXWTFN-SECBINFHSA-N -2 0 356.360 0.358 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)C(=O)[O-] ZINC000274902522 488742457 /nfs/dbraw/zinc/74/24/57/488742457.db2.gz IKUSKTAOSIVRQM-VIFPVBQESA-N -2 0 371.289 0.834 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000275012908 488753194 /nfs/dbraw/zinc/75/31/94/488753194.db2.gz QHPYDKNJMUQKOK-YFKPBYRVSA-N -2 0 357.171 0.842 20 0 FCADRL C[C@H](CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)CC(=O)[O-] ZINC000275018810 488753955 /nfs/dbraw/zinc/75/39/55/488753955.db2.gz OJOGVJLYWCOISB-SSDOTTSWSA-N -2 0 356.360 0.215 20 0 FCADRL COC(=O)c1cccc(CS(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000275051054 488756735 /nfs/dbraw/zinc/75/67/35/488756735.db2.gz WZHBZQRDCGHEAA-NSHDSACASA-N -2 0 359.356 0.068 20 0 FCADRL COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000275060627 488757509 /nfs/dbraw/zinc/75/75/09/488757509.db2.gz JPKQIXNAFFHFEW-VIFPVBQESA-N -2 0 363.319 0.209 20 0 FCADRL CCN(Cc1ccccc1)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000275081605 488759998 /nfs/dbraw/zinc/75/99/98/488759998.db2.gz IULMDVUPXYJXIL-UONOGXRCSA-N -2 0 370.427 0.861 20 0 FCADRL Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cnc1Cl ZINC000275103814 488761951 /nfs/dbraw/zinc/76/19/51/488761951.db2.gz LZLSLFIWWOCNAT-NXEZZACHSA-N -2 0 362.791 0.839 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C[C@@H]1C(=O)[O-] ZINC000275206316 488772495 /nfs/dbraw/zinc/77/24/95/488772495.db2.gz ZIAAJZWGVGWBAD-SFYZADRCSA-N -2 0 367.301 0.900 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000166492639 488811850 /nfs/dbraw/zinc/81/18/50/488811850.db2.gz NBDFJNSBCOFMOR-SSDOTTSWSA-N -2 0 353.150 0.050 20 0 FCADRL CC(C)C[C@@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000280076086 488983737 /nfs/dbraw/zinc/98/37/37/488983737.db2.gz VCFFUQSSNBVPOS-QMMMGPOBSA-N -2 0 370.387 0.461 20 0 FCADRL Cc1c(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c2ccccc2n1C ZINC000570401054 491238461 /nfs/dbraw/zinc/23/84/61/491238461.db2.gz FOTOHUHXNBEJLD-JTQLQIEISA-N -2 0 354.384 0.941 20 0 FCADRL C[C@@](CNS(=O)(=O)Cc1noc2ccccc21)(CC(=O)[O-])C(=O)[O-] ZINC000555457028 491251096 /nfs/dbraw/zinc/25/10/96/491251096.db2.gz INIMKJGVMMBBPO-AWEZNQCLSA-N -2 0 356.356 0.813 20 0 FCADRL Cc1[nH]c(=O)sc1S(=O)(=O)NCCNC(=O)c1ncc(C)cc1O ZINC000427545404 489613550 /nfs/dbraw/zinc/61/35/50/489613550.db2.gz WJRKHYWUJVUHND-UHFFFAOYSA-N -2 0 372.428 0.274 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1C(N)=O ZINC000474410946 489761235 /nfs/dbraw/zinc/76/12/35/489761235.db2.gz KIEKUHRLSAAWJK-UHFFFAOYSA-N -2 0 357.369 0.750 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)cc1C(=O)[O-] ZINC000494648324 489901778 /nfs/dbraw/zinc/90/17/78/489901778.db2.gz NALZBGDQUWHYNL-UHFFFAOYSA-N -2 0 364.383 0.715 20 0 FCADRL COc1cc(C(=O)N=c2nc(C)[n-]s2)cc([N-]S(C)(=O)=O)c1OC ZINC000464430870 490056666 /nfs/dbraw/zinc/05/66/66/490056666.db2.gz RGAJKXXQBBMMEY-UHFFFAOYSA-N -2 0 372.428 0.909 20 0 FCADRL CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000479180348 490072211 /nfs/dbraw/zinc/07/22/11/490072211.db2.gz GNJQZAZYYXYOSV-SNVBAGLBSA-N -2 0 364.445 0.326 20 0 FCADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cc1C(=O)[O-] ZINC000479242675 490077092 /nfs/dbraw/zinc/07/70/92/490077092.db2.gz AGKCLVGBCCBJQI-UHFFFAOYSA-N -2 0 372.790 0.829 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)NCCO)cc1 ZINC000392925592 490157123 /nfs/dbraw/zinc/15/71/23/490157123.db2.gz BURQNYZHEHIHCW-UHFFFAOYSA-N -2 0 368.367 0.809 20 0 FCADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(CC(=O)N(C)C)c1 ZINC000466283637 490175892 /nfs/dbraw/zinc/17/58/92/490175892.db2.gz RXLBEEBJKKIWMD-UHFFFAOYSA-N -2 0 366.399 0.779 20 0 FCADRL C[C@@H]([C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-])C1CC1 ZINC000521906893 490310796 /nfs/dbraw/zinc/31/07/96/490310796.db2.gz NTHNHDOUZHDGSE-LHLIQPBNSA-N -2 0 368.371 0.214 20 0 FCADRL CCn1c(=O)oc2cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])ccc21 ZINC000547571588 490320815 /nfs/dbraw/zinc/32/08/15/490320815.db2.gz XUDXFILCJXYBNE-MRVPVSSYSA-N -2 0 372.355 0.068 20 0 FCADRL C[C@@](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)(CC(=O)[O-])C(=O)[O-] ZINC000547608069 490328615 /nfs/dbraw/zinc/32/86/15/490328615.db2.gz IRFXLWQJCLRKLW-ZDUSSCGKSA-N -3 0 362.310 0.680 20 0 FCADRL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000547608102 490328770 /nfs/dbraw/zinc/32/87/70/490328770.db2.gz LOOFORFXJLHPNL-CYBMUJFWSA-N -2 0 360.344 0.747 20 0 FCADRL O=C([O-])[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000564730373 491323096 /nfs/dbraw/zinc/32/30/96/491323096.db2.gz ZRFDXOJZFJIXSE-SECBINFHSA-N -2 0 362.354 0.566 20 0 FCADRL C[C@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@@H](C(=O)[O-])C1 ZINC000547918187 490385804 /nfs/dbraw/zinc/38/58/04/490385804.db2.gz MNKBHJJMJAPHRO-OIBJUYFYSA-N -2 0 368.371 0.310 20 0 FCADRL C[C@](CNS(=O)(=O)c1ccc2c(c1)OCCO2)(CC(=O)[O-])C(=O)[O-] ZINC000547932493 490390595 /nfs/dbraw/zinc/39/05/95/490390595.db2.gz GMLYXUMSHPHJQF-CQSZACIVSA-N -2 0 359.356 0.302 20 0 FCADRL C[C@](CNS(=O)(=O)c1cc(Cl)cnc1N)(CC(=O)[O-])C(=O)[O-] ZINC000547932789 490390920 /nfs/dbraw/zinc/39/09/20/490390920.db2.gz AKJUDJUBLYZROL-LLVKDONJSA-N -2 0 351.768 0.161 20 0 FCADRL CN(C)C(=O)COc1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000509566913 490440485 /nfs/dbraw/zinc/44/04/85/490440485.db2.gz HFEROKMPPSVHLE-UHFFFAOYSA-N -2 0 367.383 0.981 20 0 FCADRL Cn1cnc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(=O)[O-])cc2)c1 ZINC000509641748 490446970 /nfs/dbraw/zinc/44/69/70/490446970.db2.gz YNACKROLVRXRKN-UHFFFAOYSA-N -2 0 352.372 0.425 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cn1 ZINC000484802253 490469930 /nfs/dbraw/zinc/46/99/30/490469930.db2.gz JHKRETNCRXBYDH-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000548546313 490503279 /nfs/dbraw/zinc/50/32/79/490503279.db2.gz HQYNVTSCSSNGHN-LURJTMIESA-N -2 0 356.278 0.554 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccccc1-c1ccno1)C(=O)[O-] ZINC000548551338 490504329 /nfs/dbraw/zinc/50/43/29/490504329.db2.gz ZSUGJFSSPISJLV-VIFPVBQESA-N -2 0 354.340 0.795 20 0 FCADRL COCc1ccccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000548573165 490508980 /nfs/dbraw/zinc/50/89/80/490508980.db2.gz GAWRZLCKUZTMQS-NEPJUHHUSA-N -2 0 357.384 0.629 20 0 FCADRL COc1ccc(OC)c(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000548595755 490515840 /nfs/dbraw/zinc/51/58/40/490515840.db2.gz WBYYMTMWAMBUHK-CQSZACIVSA-N -2 0 361.372 0.548 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cn1 ZINC000485266733 490520650 /nfs/dbraw/zinc/52/06/50/490520650.db2.gz DUXVDSPVIMRSMB-UHFFFAOYSA-N -2 0 356.335 0.267 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1C(=O)[O-] ZINC000536988835 490631210 /nfs/dbraw/zinc/63/12/10/490631210.db2.gz PSXWGTWZESLSRG-UHFFFAOYSA-N -2 0 364.339 0.145 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1C ZINC000504293650 490794260 /nfs/dbraw/zinc/79/42/60/490794260.db2.gz QZNUKPDOJBUWCX-UHFFFAOYSA-N -2 0 370.362 0.576 20 0 FCADRL CCOC(=O)Cc1cccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000516323330 490860569 /nfs/dbraw/zinc/86/05/69/490860569.db2.gz AGVQRPAOHJSGMB-LLVKDONJSA-N -2 0 373.383 0.246 20 0 FCADRL COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000572819731 491395181 /nfs/dbraw/zinc/39/51/81/491395181.db2.gz CKAQHJPEGLJKNT-AXFHLTTASA-N -2 0 365.404 0.346 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1cccc(C(=O)NC2CC2)c1)C(=O)[O-] ZINC000573124557 491414491 /nfs/dbraw/zinc/41/44/91/491414491.db2.gz AJIWTFSWQRUDPF-JTQLQIEISA-N -2 0 370.383 0.033 20 0 FCADRL CCC(C)(C)[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000566240012 491429264 /nfs/dbraw/zinc/42/92/64/491429264.db2.gz CEWPBRBSXHKBOZ-SECBINFHSA-N -2 0 370.387 0.604 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)C[C@H]1C(=O)[O-] ZINC000574662744 491511971 /nfs/dbraw/zinc/51/19/71/491511971.db2.gz SUVPJOSZWWOACY-XJFOESAGSA-N -2 0 353.396 0.980 20 0 FCADRL Cn1c(=N)[n-]nc1SCc1cncc(CSc2n[n-]c(=N)n2C)c1 ZINC000576647965 491633006 /nfs/dbraw/zinc/63/30/06/491633006.db2.gz KCMYRCFOGNSKED-UHFFFAOYSA-N -2 0 363.476 0.748 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)CCOCc2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000584157155 491859676 /nfs/dbraw/zinc/85/96/76/491859676.db2.gz RRVGNXSZLSNTCW-KBPBESRZSA-N -2 0 371.411 0.640 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1C ZINC000614327634 492024459 /nfs/dbraw/zinc/02/44/59/492024459.db2.gz NTZQNUCMUABHBD-SNVBAGLBSA-N -2 0 359.356 0.378 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1ncccc1C(F)(F)F)C(=O)[O-] ZINC000650392884 492637710 /nfs/dbraw/zinc/63/77/10/492637710.db2.gz NCFJZXGIMSWMPM-SSDOTTSWSA-N -2 0 356.278 0.697 20 0 FCADRL COc1ncc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1Cl ZINC000650413065 492638975 /nfs/dbraw/zinc/63/89/75/492638975.db2.gz DGZLABZRQRWYJG-ZCFIWIBFSA-N -2 0 352.752 0.197 20 0 FCADRL COc1ccc(F)cc1S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000650417539 492639675 /nfs/dbraw/zinc/63/96/75/492639675.db2.gz LBUDTTULOGPFSC-CQSZACIVSA-N -2 0 361.347 0.774 20 0 FCADRL C[C@@H]1CN(C(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)CC[C@H]1C(=O)[O-] ZINC000625955825 492906187 /nfs/dbraw/zinc/90/61/87/492906187.db2.gz HRSPFULUBGUMII-RKDXNWHRSA-N -2 0 354.432 0.765 20 0 FCADRL O=C([O-])c1ccc(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)nc1 ZINC000653309450 493091478 /nfs/dbraw/zinc/09/14/78/493091478.db2.gz CVKZMJDTZCGORN-NSHDSACASA-N -2 0 361.354 0.318 20 0 FCADRL O=C([O-])c1ccc(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)nc1 ZINC000653309449 493091514 /nfs/dbraw/zinc/09/15/14/493091514.db2.gz CVKZMJDTZCGORN-LLVKDONJSA-N -2 0 361.354 0.318 20 0 FCADRL O=C([O-])c1ccc(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)cn1 ZINC000653310145 493091641 /nfs/dbraw/zinc/09/16/41/493091641.db2.gz VUGNCCQZPDLGFA-LLVKDONJSA-N -2 0 361.354 0.318 20 0 FCADRL CCn1c(=O)oc2cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])ccc21 ZINC000681562788 493187066 /nfs/dbraw/zinc/18/70/66/493187066.db2.gz FXVZHBBKANIQLG-SECBINFHSA-N -2 0 372.355 0.211 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)Cc1cccc2cccnc21)C(=O)[O-] ZINC000681563312 493187232 /nfs/dbraw/zinc/18/72/32/493187232.db2.gz QJPCFNMUXRHDQI-GFCCVEGCSA-N -2 0 352.368 0.972 20 0 FCADRL COc1cc(Cl)ccc1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-] ZINC000681578274 493189064 /nfs/dbraw/zinc/18/90/64/493189064.db2.gz OGVVSKGRIPHBSK-ZETCQYMHSA-N -2 0 351.764 0.802 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c(F)c1 ZINC000681577569 493189142 /nfs/dbraw/zinc/18/91/42/493189142.db2.gz BTIIWPSKIPNRFQ-MRVPVSSYSA-N -2 0 362.335 0.238 20 0 FCADRL CCc1nn(C)c(CC)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000681587819 493192322 /nfs/dbraw/zinc/19/23/22/493192322.db2.gz DUACIZLCIZYWAL-ZJUUUORDSA-N -2 0 373.431 0.341 20 0 FCADRL O=C([O-])Cc1ccc(C[C@@H](NS(=O)(=O)CCCCF)C(=O)[O-])cc1 ZINC000672788821 493250257 /nfs/dbraw/zinc/25/02/57/493250257.db2.gz GBBWCZLBIWAHFI-CYBMUJFWSA-N -2 0 361.391 0.979 20 0 FCADRL CN(Cc1n[n-]c(=O)o1)Cc1cncc(CN(C)Cc2n[n-]c(=O)o2)c1 ZINC000660842748 493384179 /nfs/dbraw/zinc/38/41/79/493384179.db2.gz QSPFCHADZAAAMK-UHFFFAOYSA-N -2 0 361.362 0.523 20 0 FCADRL O=C([O-])Cc1ccc(C[C@H](NS(=O)(=O)Cc2ccon2)C(=O)[O-])cc1 ZINC000684562174 493419127 /nfs/dbraw/zinc/41/91/27/493419127.db2.gz PCHBSPMQQSXGNO-ZDUSSCGKSA-N -2 0 368.367 0.417 20 0 FCADRL O=C([O-])[C@H](C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1)C1CCCC1 ZINC000663117156 493572313 /nfs/dbraw/zinc/57/23/13/493572313.db2.gz NDYJPOQHWXKLPK-WFASDCNBSA-N -2 0 366.414 0.802 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1NC(C)=O ZINC000678717011 493657426 /nfs/dbraw/zinc/65/74/26/493657426.db2.gz WIUJEDGCFCRFLW-UHFFFAOYSA-N -2 0 368.371 0.886 20 0 FCADRL CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cc3nn[nH]n3)cc2)o1 ZINC000473893956 546935566 /nfs/dbraw/zinc/93/55/66/546935566.db2.gz KHDUCZWFFIFLSS-UHFFFAOYSA-N -2 0 362.371 0.544 20 0 FCADRL CN1CCCc2ccc(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])cc21 ZINC000818481988 596978566 /nfs/dbraw/zinc/97/85/66/596978566.db2.gz BPZDERUDZWROKJ-UHFFFAOYSA-N -2 0 358.441 0.692 20 0 FCADRL COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)CSCC(=O)[O-] ZINC000739794296 597105553 /nfs/dbraw/zinc/10/55/53/597105553.db2.gz WSWMQAGWKGEVAM-UHFFFAOYSA-N -2 0 353.399 0.157 20 0 FCADRL O=C([O-])CSCC(=O)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000740486853 597106570 /nfs/dbraw/zinc/10/65/70/597106570.db2.gz LGRHTBJCNJHCQO-UHFFFAOYSA-N -2 0 363.804 0.610 20 0 FCADRL Cn1ncc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1C(F)F ZINC000739059326 599728992 /nfs/dbraw/zinc/72/89/92/599728992.db2.gz MOCDTGDNVMAOAT-UHFFFAOYSA-N -2 0 366.346 0.129 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1 ZINC000737155697 599738923 /nfs/dbraw/zinc/73/89/23/599738923.db2.gz SGOFEAAYZWPQQT-UHFFFAOYSA-N -2 0 353.356 0.945 20 0 FCADRL CCSc1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cn1 ZINC000737230294 599793292 /nfs/dbraw/zinc/79/32/92/599793292.db2.gz TVBPVNDAEUDFTQ-UHFFFAOYSA-N -2 0 373.456 0.965 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H](NC(=O)[O-])C(C)C)s1 ZINC000737701155 599884593 /nfs/dbraw/zinc/88/45/93/599884593.db2.gz WQKBJTOYGWMQBO-SECBINFHSA-N -2 0 364.401 0.632 20 0 FCADRL O=C([O-])[C@@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c2ccccc2O1 ZINC000739612861 599913346 /nfs/dbraw/zinc/91/33/46/599913346.db2.gz AEBYKBKFZPEKJU-LBPRGKRZSA-N -2 0 368.305 0.928 20 0 FCADRL Cc1[nH]c(C([O-])=CS(=O)(=O)c2nnc(N(C)C)s2)c(C)c1C(=O)[O-] ZINC000738156191 599962872 /nfs/dbraw/zinc/96/28/72/599962872.db2.gz RSOZXRDPMBVYML-UHFFFAOYSA-N -2 0 372.428 0.904 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cn1 ZINC000737542758 600097558 /nfs/dbraw/zinc/09/75/58/600097558.db2.gz IMQOOAHWGFEDJO-UHFFFAOYSA-N -2 0 356.335 0.267 20 0 FCADRL CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cn1 ZINC000737350042 600099271 /nfs/dbraw/zinc/09/92/71/600099271.db2.gz PRHICEMHHCUFPP-UHFFFAOYSA-N -2 0 368.371 0.176 20 0 FCADRL O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000739623064 600152168 /nfs/dbraw/zinc/15/21/68/600152168.db2.gz BCWUPKRLNLZYKJ-CYBMUJFWSA-N -2 0 353.338 0.109 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)COC[C@@H]2CCCO2)cc1 ZINC000739320951 600242294 /nfs/dbraw/zinc/24/22/94/600242294.db2.gz BPTYKELLDQULBT-ZDUSSCGKSA-N -2 0 357.384 0.526 20 0 FCADRL CCC(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736839847 600242534 /nfs/dbraw/zinc/24/25/34/600242534.db2.gz MHFZDDSLYNIUKN-CYBMUJFWSA-N -2 0 368.411 0.981 20 0 FCADRL Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3cccc(C)c3C(=O)[O-])nc2n1 ZINC000738315027 600247058 /nfs/dbraw/zinc/24/70/58/600247058.db2.gz SXMMXDFNBNVEHQ-UHFFFAOYSA-N -2 0 363.355 0.533 20 0 FCADRL O=C([O-])c1cn(CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)c2ccccc12 ZINC000740251777 600261560 /nfs/dbraw/zinc/26/15/60/600261560.db2.gz IYGIITDGZGBGIF-ZDUSSCGKSA-N -2 0 356.342 0.453 20 0 FCADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)c1C(=O)[O-] ZINC000738968877 600391740 /nfs/dbraw/zinc/39/17/40/600391740.db2.gz FSMINNFPGBJGKU-UHFFFAOYSA-N -2 0 356.360 0.467 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])n1 ZINC000739157670 600392315 /nfs/dbraw/zinc/39/23/15/600392315.db2.gz PQZNRJNVLUNTLN-UHFFFAOYSA-N -2 0 372.790 0.911 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccnc2N2CCOCC2)c1C(=O)[O-] ZINC000738828268 600424101 /nfs/dbraw/zinc/42/41/01/600424101.db2.gz VZXFZEIPOBJFTQ-UHFFFAOYSA-N -2 0 367.387 0.449 20 0 FCADRL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC000739180469 600440500 /nfs/dbraw/zinc/44/05/00/600440500.db2.gz IUCUVDSTWVTILO-UHFFFAOYSA-N -2 0 354.365 0.664 20 0 FCADRL CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736251136 600460213 /nfs/dbraw/zinc/46/02/13/600460213.db2.gz QEGYGDLJLFFXJH-LLVKDONJSA-N -2 0 362.448 0.724 20 0 FCADRL CC(=O)N[C@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccccc1 ZINC000736147023 600460226 /nfs/dbraw/zinc/46/02/26/600460226.db2.gz RUEVNJLKWZDPLL-CYBMUJFWSA-N -2 0 356.400 0.565 20 0 FCADRL COC(=O)CCCS(=O)(=O)[N-]C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737596748 600460286 /nfs/dbraw/zinc/46/02/86/600460286.db2.gz SZIZOUGXIKSKGV-UHFFFAOYSA-N -2 0 357.384 0.717 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cccc(NC(=O)NC2CC2)c1 ZINC000739692245 600460665 /nfs/dbraw/zinc/46/06/65/600460665.db2.gz NDHWVYBIZPZSRG-UHFFFAOYSA-N -2 0 369.399 0.895 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(Cn2cccn2)cc1 ZINC000739692688 600461577 /nfs/dbraw/zinc/46/15/77/600461577.db2.gz UDOQSZLRYKSKJB-UHFFFAOYSA-N -2 0 351.384 0.856 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCS(=O)(=O)C1CCCC1 ZINC000739690954 600461613 /nfs/dbraw/zinc/46/16/13/600461613.db2.gz CUINCIQAHGLPEH-UHFFFAOYSA-N -2 0 355.434 0.045 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)Cc1ccc(-n2cccn2)cc1 ZINC000739693147 600461692 /nfs/dbraw/zinc/46/16/92/600461692.db2.gz WCLVGOXLPYXRNL-UHFFFAOYSA-N -2 0 351.384 0.726 20 0 FCADRL COc1ccc2c(c1)C[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CO2 ZINC000738073864 600463290 /nfs/dbraw/zinc/46/32/90/600463290.db2.gz MZJBZTZPSMQXMN-NSHDSACASA-N -2 0 357.384 0.557 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000325070096 600529133 /nfs/dbraw/zinc/52/91/33/600529133.db2.gz FAJVCGNICMZOEK-UHFFFAOYSA-N -2 0 356.316 0.685 20 0 FCADRL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1 ZINC000737694541 600529783 /nfs/dbraw/zinc/52/97/83/600529783.db2.gz PJJHDNNWRPHOLE-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC000324444097 600530295 /nfs/dbraw/zinc/53/02/95/600530295.db2.gz CEYIRXCMXMTHRV-UHFFFAOYSA-N -2 0 356.316 0.685 20 0 FCADRL CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3cnn(CC(=O)[O-])c3)ccc21 ZINC000324775633 600530425 /nfs/dbraw/zinc/53/04/25/600530425.db2.gz FQHWYEXJTCNOLO-UHFFFAOYSA-N -2 0 350.356 0.287 20 0 FCADRL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1 ZINC000737631092 600628532 /nfs/dbraw/zinc/62/85/32/600628532.db2.gz OZSKKXWNEAJCRF-UHFFFAOYSA-N -2 0 353.356 0.484 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccnc(N2CCCCC2)n1 ZINC000739696174 600658406 /nfs/dbraw/zinc/65/84/06/600658406.db2.gz IJANREASQZTPJX-UHFFFAOYSA-N -2 0 356.404 0.391 20 0 FCADRL COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000324846659 600673305 /nfs/dbraw/zinc/67/33/05/600673305.db2.gz LJWXOSPPEXBKDN-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL CS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000832681758 600679419 /nfs/dbraw/zinc/67/94/19/600679419.db2.gz HHZIZPSZHYIZCW-UHFFFAOYSA-N -2 0 373.412 0.313 20 0 FCADRL COC(=O)c1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1O ZINC000831453271 600682785 /nfs/dbraw/zinc/68/27/85/600682785.db2.gz LDCXWIHOVDNQNP-UHFFFAOYSA-N -2 0 355.328 0.261 20 0 FCADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)n1 ZINC000739920931 600694322 /nfs/dbraw/zinc/69/43/22/600694322.db2.gz WZZKUWOEGIAYRU-UHFFFAOYSA-N -2 0 366.355 0.725 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)N2CCc3cc(C(=O)[O-])ccc32)cn1 ZINC000833274461 600697813 /nfs/dbraw/zinc/69/78/13/600697813.db2.gz WEEDGPJKRKNJGK-UHFFFAOYSA-N -2 0 351.340 0.417 20 0 FCADRL CCCNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1 ZINC000737029014 600814724 /nfs/dbraw/zinc/81/47/24/600814724.db2.gz WFNUYGSORYACCA-UHFFFAOYSA-N -2 0 356.400 0.751 20 0 FCADRL Cc1nn2c([n-]nc2SCc2cn3cccc(C(=O)[O-])c3n2)nc1=O ZINC000738926351 600818480 /nfs/dbraw/zinc/81/84/80/600818480.db2.gz CCJXTZPOHXMGCC-UHFFFAOYSA-N -2 0 357.355 0.759 20 0 FCADRL O=C([O-])C[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)c2ccccc21 ZINC000739646304 600859741 /nfs/dbraw/zinc/85/97/41/600859741.db2.gz JXYPKJATVKFLFL-SNVBAGLBSA-N -2 0 353.338 0.676 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)CCC(=O)c2ccccc2)CC1 ZINC000833096861 600943189 /nfs/dbraw/zinc/94/31/89/600943189.db2.gz XRHFKXXRHMJLIV-UHFFFAOYSA-N -2 0 368.411 0.807 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)nc2)cn1 ZINC000833274832 600980147 /nfs/dbraw/zinc/98/01/47/600980147.db2.gz JDIGSWHVXFHTJJ-UHFFFAOYSA-N -2 0 365.371 0.512 20 0 FCADRL COc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])cc([N-]S(C)(=O)=O)c1OC ZINC000262071813 601020491 /nfs/dbraw/zinc/02/04/91/601020491.db2.gz CJQZUIJEEHMDCE-NSHDSACASA-N -2 0 372.399 0.765 20 0 FCADRL O=C([O-])Cn1ccc(NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)n1 ZINC000833273855 601122189 /nfs/dbraw/zinc/12/21/89/601122189.db2.gz HPLAOWYZLHDACO-UHFFFAOYSA-N -2 0 359.367 0.605 20 0 FCADRL CCN(CC)C(=O)CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000322763694 601232493 /nfs/dbraw/zinc/23/24/93/601232493.db2.gz DKUOFHDTSQFMOV-UHFFFAOYSA-N -2 0 350.343 0.810 20 0 FCADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cn1 ZINC000833275348 601233312 /nfs/dbraw/zinc/23/33/12/601233312.db2.gz XMPDZSQWMQOYMF-UHFFFAOYSA-N -3 0 361.282 0.745 20 0 FCADRL O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000833195591 601475595 /nfs/dbraw/zinc/47/55/95/601475595.db2.gz JOMMDNJJFKWNBD-AWEZNQCLSA-N -2 0 353.338 0.282 20 0 FCADRL Cc1oc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)cc1S(N)(=O)=O ZINC000833024473 601558736 /nfs/dbraw/zinc/55/87/36/601558736.db2.gz DUXBUWGWYANJTQ-UHFFFAOYSA-N -2 0 360.373 0.356 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)N3CCO[C@H](CC(=O)[O-])C3)cc2[n-]c1=S ZINC000833039971 601741902 /nfs/dbraw/zinc/74/19/02/601741902.db2.gz YBURNYURJCRMBF-SNVBAGLBSA-N -2 0 363.395 0.538 20 0 FCADRL O=C([O-])[C@@]1(NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)CCOC1 ZINC000833103944 601767791 /nfs/dbraw/zinc/76/77/91/601767791.db2.gz NOGGCIRSILKTJT-MRXNPFEDSA-N -2 0 363.395 0.435 20 0 FCADRL CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000828700637 601769665 /nfs/dbraw/zinc/76/96/65/601769665.db2.gz PKTDWLYSNAIRTG-ZJUUUORDSA-N -2 0 366.461 0.245 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cn1 ZINC000751146526 601836746 /nfs/dbraw/zinc/83/67/46/601836746.db2.gz VHMDANYZAWBCCW-UHFFFAOYSA-N -2 0 374.325 0.406 20 0 FCADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)n1 ZINC000833277711 601985074 /nfs/dbraw/zinc/98/50/74/601985074.db2.gz WALMSQFGEFKSAU-UHFFFAOYSA-N -2 0 371.396 0.098 20 0 FCADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000827304102 602192829 /nfs/dbraw/zinc/19/28/29/602192829.db2.gz OXSHNOCRXXIHON-VIFPVBQESA-N -2 0 355.347 0.927 20 0 FCADRL Cc1c(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cnn1-c1ccccn1 ZINC000832856615 602199145 /nfs/dbraw/zinc/19/91/45/602199145.db2.gz UIYNYBLXWAFNGP-UHFFFAOYSA-N -2 0 362.371 0.658 20 0 FCADRL CC(C)OC[C@H](C(=O)[O-])N(C)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000827016369 604515155 /nfs/dbraw/zinc/51/51/55/604515155.db2.gz OAAZFLDDUIZFDN-GFCCVEGCSA-N -2 0 355.416 0.819 20 0 FCADRL CNC(=O)c1cc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)cn1C ZINC000831005600 604624130 /nfs/dbraw/zinc/62/41/30/604624130.db2.gz RIZQUKWAMBGCMK-UHFFFAOYSA-N -2 0 372.428 0.659 20 0 FCADRL CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)ccn1 ZINC000833687140 604701922 /nfs/dbraw/zinc/70/19/22/604701922.db2.gz INLWJCDZZJKGCP-UHFFFAOYSA-N -2 0 350.356 0.099 20 0 FCADRL C[C@@H](CC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccncc1 ZINC000827234298 604730720 /nfs/dbraw/zinc/73/07/20/604730720.db2.gz CLKZDCQPYZPZEG-NSHDSACASA-N -2 0 355.416 0.733 20 0 FCADRL C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000833408870 604880772 /nfs/dbraw/zinc/88/07/72/604880772.db2.gz XVOHCFRZYVZROW-SCSAIBSYSA-N -2 0 356.150 0.834 20 0 FCADRL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000820641706 605230538 /nfs/dbraw/zinc/23/05/38/605230538.db2.gz YMLOJLBSEDMRPW-UHFFFAOYSA-N -2 0 362.363 0.863 20 0 FCADRL Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC000822623215 606710968 /nfs/dbraw/zinc/71/09/68/606710968.db2.gz RQKDMMWGVLOHHE-UHFFFAOYSA-N -2 0 367.322 0.238 20 0 FCADRL Cc1cccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c1-c1nn[nH]n1 ZINC000826303926 608395935 /nfs/dbraw/zinc/39/59/35/608395935.db2.gz MSKJZUCGOGWZIZ-UHFFFAOYSA-N -2 0 363.359 0.408 20 0 FCADRL COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC ZINC000912526077 666449800 /nfs/dbraw/zinc/44/98/00/666449800.db2.gz FXHXVYPTMQKYGP-UHFFFAOYSA-N -2 0 355.328 0.704 20 0 FCADRL COCCCNC(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000068406276 666478855 /nfs/dbraw/zinc/47/88/55/666478855.db2.gz RKUQZZXKTAOBJV-UHFFFAOYSA-N -2 0 371.415 0.403 20 0 FCADRL CSCC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C)C(=O)[O-] ZINC000914688885 666792029 /nfs/dbraw/zinc/79/20/29/666792029.db2.gz JNASJYHIOQAODN-SECBINFHSA-N -2 0 363.413 0.883 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)C1=O ZINC000731053394 666803868 /nfs/dbraw/zinc/80/38/68/666803868.db2.gz ORZVVPRKXBHGBG-CQSZACIVSA-N -2 0 355.372 0.607 20 0 FCADRL CCOCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000732506871 666883252 /nfs/dbraw/zinc/88/32/52/666883252.db2.gz NHTWKPYRRVNYJU-UHFFFAOYSA-N -2 0 371.440 0.318 20 0 FCADRL CCN(C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000744241450 668057829 /nfs/dbraw/zinc/05/78/29/668057829.db2.gz IHVGTULLNCKAEV-UHFFFAOYSA-N -2 0 356.429 0.149 20 0 FCADRL O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)[N-]OCc1cccnc1 ZINC000774064431 668123186 /nfs/dbraw/zinc/12/31/86/668123186.db2.gz DRNWBYWLHPRVQH-UHFFFAOYSA-N -2 0 357.338 0.886 20 0 FCADRL Cn1nc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000776425668 668260742 /nfs/dbraw/zinc/26/07/42/668260742.db2.gz DQVZUJDWLNCJPB-UHFFFAOYSA-N -3 0 355.328 0.383 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc(N2CCOC2=O)cc1)C(=O)[O-] ZINC000776437237 668261862 /nfs/dbraw/zinc/26/18/62/668261862.db2.gz FCIPCXUITFPVSB-LLVKDONJSA-N -2 0 372.355 0.240 20 0 FCADRL CC[C@H](C)C[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000776616111 668279435 /nfs/dbraw/zinc/27/94/35/668279435.db2.gz RAIVPYMEKRZZOE-OIBJUYFYSA-N -2 0 370.387 0.604 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])ccc1F ZINC000776631718 668280882 /nfs/dbraw/zinc/28/08/82/668280882.db2.gz BYGLBFRXPBTXGX-SSDOTTSWSA-N -2 0 363.319 0.066 20 0 FCADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000820565464 669103550 /nfs/dbraw/zinc/10/35/50/669103550.db2.gz ZZNUAZWNUCTBHL-AMXDTQDGSA-N -2 0 361.441 0.428 20 0 FCADRL Cn1nc([N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1C(=O)[O-] ZINC000821089169 669155792 /nfs/dbraw/zinc/15/57/92/669155792.db2.gz DDBGGKBNNAZZJU-UHFFFAOYSA-N -2 0 353.282 0.678 20 0 FCADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)N=S(C)(C)=O)c1OC ZINC000821185709 669167040 /nfs/dbraw/zinc/16/70/40/669167040.db2.gz PLVZKPGSDGWDKT-UHFFFAOYSA-N -2 0 352.390 0.786 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)cn1 ZINC000815973279 669932738 /nfs/dbraw/zinc/93/27/38/669932738.db2.gz CBPTWOQVZNWNRB-VIFPVBQESA-N -2 0 370.353 0.411 20 0 FCADRL CCCO[N-]C(=O)CSc1n[n-]c2nc(=NCC)nc(NCC)n21 ZINC000844083932 670894491 /nfs/dbraw/zinc/89/44/91/670894491.db2.gz ZBMIOOBIUIZYJL-UHFFFAOYSA-N -2 0 354.440 0.355 20 0 FCADRL O=C([O-])CCC[C@@H](NS(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000844795075 670944785 /nfs/dbraw/zinc/94/47/85/670944785.db2.gz AOIGXXPKAXXHES-MRVPVSSYSA-N -2 0 354.743 0.861 20 0 FCADRL O=C(CS(=O)(=O)CC(=O)[N-]OC/C=C\Cl)[N-]OC/C=C/Cl ZINC000848105360 671250658 /nfs/dbraw/zinc/25/06/58/671250658.db2.gz PKXHLYUABFCMBS-HSFFGMMNSA-N -2 0 361.203 0.002 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CC1CC1 ZINC000849232571 671323809 /nfs/dbraw/zinc/32/38/09/671323809.db2.gz PEMPAQUBGKKOKJ-BDAKNGLRSA-N -2 0 358.338 0.322 20 0 FCADRL Cc1cnc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cn1 ZINC000851701324 671460729 /nfs/dbraw/zinc/46/07/29/671460729.db2.gz UESGBQHHBHUGFI-PSASIEDQSA-N -2 0 360.292 0.521 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cnsn1 ZINC000851701813 671461079 /nfs/dbraw/zinc/46/10/79/671461079.db2.gz IYJJGZMEBVBUPN-IYSWYEEDSA-N -2 0 352.294 0.274 20 0 FCADRL CCn1nccc1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851703118 671461674 /nfs/dbraw/zinc/46/16/74/671461674.db2.gz NYYTUPNZBIJQTR-WPRPVWTQSA-N -2 0 362.308 0.639 20 0 FCADRL O=C(Cn1c(=O)c2ccccc2[n-]c1=S)[N-]OCCN1CCCC1=O ZINC000856037575 671675306 /nfs/dbraw/zinc/67/53/06/671675306.db2.gz KZYZVRSAVWFZFJ-UHFFFAOYSA-N -2 0 362.411 0.355 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)C(=O)[O-] ZINC000013027331 671859405 /nfs/dbraw/zinc/85/94/05/671859405.db2.gz BNWXTDOWPTXRRI-VIFPVBQESA-N -3 0 365.747 0.635 20 0 FCADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000863952321 672163554 /nfs/dbraw/zinc/16/35/54/672163554.db2.gz RZQXSSYNDHTJKB-NSHDSACASA-N -2 0 367.387 0.214 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@]2(C(=O)[O-])CC2(C)C)c1 ZINC000863953992 672164596 /nfs/dbraw/zinc/16/45/96/672164596.db2.gz HQEAYUUPDVDMRD-OAHLLOKOSA-N -2 0 355.368 0.779 20 0 FCADRL CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C(=O)[O-])CC2(C)C)s1 ZINC000863954037 672164802 /nfs/dbraw/zinc/16/48/02/672164802.db2.gz JJYFHNHRTVGSJH-CQSZACIVSA-N -2 0 374.440 0.690 20 0 FCADRL COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC000863958733 672167076 /nfs/dbraw/zinc/16/70/76/672167076.db2.gz JAKTXXJDPIHZLJ-UWVGGRQHSA-N -2 0 357.384 0.950 20 0 FCADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1)C1CCCC1 ZINC000863959604 672167742 /nfs/dbraw/zinc/16/77/42/672167742.db2.gz KKHKZCLTMKAPFR-NSHDSACASA-N -2 0 365.358 0.844 20 0 FCADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000863963031 672169521 /nfs/dbraw/zinc/16/95/21/672169521.db2.gz GYHQVJAXQGAYHZ-NSHDSACASA-N -2 0 367.387 0.214 20 0 FCADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000863963588 672169918 /nfs/dbraw/zinc/16/99/18/672169918.db2.gz BKMGVLUHYGTIRV-GXSJLCMTSA-N -2 0 359.404 0.396 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]C(=O)[C@@]2(C(=O)[O-])CC2(C)C)c(C(F)(F)F)n1 ZINC000863964470 672170549 /nfs/dbraw/zinc/17/05/49/672170549.db2.gz VIDBWDDWEQSLOC-LLVKDONJSA-N -2 0 369.321 0.745 20 0 FCADRL O=Cc1ccc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])[nH]1 ZINC000874967908 672811540 /nfs/dbraw/zinc/81/15/40/672811540.db2.gz CRXNHPUNDBZEJT-WPRPVWTQSA-N -2 0 361.276 0.564 20 0 FCADRL COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1 ZINC000902307863 675845804 /nfs/dbraw/zinc/84/58/04/675845804.db2.gz RVOJKTFZLCNCFO-TVQRCGJNSA-N -2 0 354.325 0.639 20 0 FCADRL O=C(CCN1CCCC1=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000069370084 1168041171 /nfs/dbraw/zinc/04/11/71/1168041171.db2.gz DDEVHTCEHRYDDU-UHFFFAOYSA-N -2 0 357.370 0.351 20 0 FCADRL Cc1c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)nnn1-c1cccc2ncccc21 ZINC000820291764 1203183164 /nfs/dbraw/zinc/18/31/64/1203183164.db2.gz LJXCEUPYYUXMFX-UHFFFAOYSA-N -2 0 352.314 0.511 20 0 FCADRL COC(=O)/C=C/c1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001223033571 1225674545 /nfs/dbraw/zinc/67/45/45/1225674545.db2.gz ZBXUPZRZJZTXCS-MFTITKQISA-N -2 0 366.322 0.452 20 0 FCADRL CCOC(=O)c1c(C)cc(O)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227213191 1225866405 /nfs/dbraw/zinc/86/64/05/1225866405.db2.gz SPVGRGYBQVSMRT-RNCFNFMXSA-N -2 0 370.310 0.319 20 0 FCADRL COc1cc(CCC(C)=O)ccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227530015 1225878113 /nfs/dbraw/zinc/87/81/13/1225878113.db2.gz YZFGHVCDBKYLOW-ABAIWWIYSA-N -2 0 368.338 0.659 20 0 FCADRL CCCc1c(O)ccc(C(C)=O)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228136379 1225896633 /nfs/dbraw/zinc/89/66/33/1225896633.db2.gz NSSJHZMSPYJQTP-FZMZJTMJSA-N -2 0 368.338 0.989 20 0 FCADRL Cc1cc(=O)oc2c1ccc(O)c2OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228622411 1225936588 /nfs/dbraw/zinc/93/65/88/1225936588.db2.gz IOSXLYFZTAVQSO-UFBFGSQYSA-N -2 0 366.278 0.249 20 0 FCADRL COc1cc2oc(=O)ccc2cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001229475754 1226013485 /nfs/dbraw/zinc/01/34/85/1226013485.db2.gz MEUXNLFWZBUWPP-CLAHSXSESA-N -2 0 366.278 0.243 20 0 FCADRL COc1ccc2c(c1)[nH]c(=O)cc2OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230686900 1226085751 /nfs/dbraw/zinc/08/57/51/1226085751.db2.gz WXNKAHOXBAGROU-OTYXRUKQSA-N -2 0 365.294 0.391 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)ncc1-c1ccccc1)[C@@H](O)C(=O)[O-] ZINC001230974971 1226093585 /nfs/dbraw/zinc/09/35/85/1226093585.db2.gz OGNIAEYNNHGROM-JOYOIKCWSA-N -2 0 362.294 0.291 20 0 FCADRL COC(=O)c1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(OC)cc1C ZINC001231367072 1226104547 /nfs/dbraw/zinc/10/45/47/1226104547.db2.gz QCDWPTPMPDTSSK-ZANVPECISA-N -2 0 370.310 0.232 20 0 FCADRL O=C([O-])C[C@@H](C(=O)OCCCn1c(=O)[nH]c2ccccc21)[C@H](O)C(=O)[O-] ZINC001206364813 1223357110 /nfs/dbraw/zinc/35/71/10/1223357110.db2.gz VVPNBLXWWXGUJP-RNCFNFMXSA-N -2 0 366.326 0.212 20 0 FCADRL O=C([O-])C[C@H](C(=O)OCCCn1c(=O)[nH]c2ccccc21)[C@@H](O)C(=O)[O-] ZINC001206364814 1223357212 /nfs/dbraw/zinc/35/72/12/1223357212.db2.gz VVPNBLXWWXGUJP-TVQRCGJNSA-N -2 0 366.326 0.212 20 0 FCADRL O=C([O-])C[C@H](O)C(=O)Oc1cc(O)cc([O-])c1C(=O)c1cccc(O)c1 ZINC001234161185 1259557636 /nfs/dbraw/zinc/55/76/36/1259557636.db2.gz IXYODZJIHJYEPQ-LBPRGKRZSA-N -2 0 362.290 0.775 20 0 FCADRL Nc1nccc(-c2ccccc2OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001234155125 1259557667 /nfs/dbraw/zinc/55/76/67/1259557667.db2.gz ZHXIYWBXFGJTCD-RNCFNFMXSA-N -2 0 361.310 0.168 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1nc[nH]c(=O)c1-c1ccccc1)[C@@H](O)C(=O)[O-] ZINC001234692643 1259563879 /nfs/dbraw/zinc/56/38/79/1259563879.db2.gz QIYBDUICYQGBGH-JOYOIKCWSA-N -2 0 362.294 0.291 20 0 FCADRL COc1cc(F)cc2ccnc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c21 ZINC001234689247 1259564136 /nfs/dbraw/zinc/56/41/36/1259564136.db2.gz PHKIUGXHVVTETL-RNCFNFMXSA-N -2 0 367.285 0.824 20 0 FCADRL COc1cc(F)c2c(c1)ncnc2OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234874346 1259564755 /nfs/dbraw/zinc/56/47/55/1259564755.db2.gz ZUNIYZLZZBLREP-MADCSZMMSA-N -2 0 368.273 0.219 20 0 FCADRL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001333521114 1266622101 /nfs/dbraw/zinc/62/21/01/1266622101.db2.gz WFJODDZMLVWYOB-CYBMUJFWSA-N -2 0 357.292 0.306 20 0 FCADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CCOC[C@@H]3c3nnn[n-]3)n2)c1 ZINC001557850344 1268982138 /nfs/dbraw/zinc/98/21/38/1268982138.db2.gz CHIXLORCCMBRHD-GFCCVEGCSA-N -2 0 373.348 0.752 20 0 FCADRL CC(C)OC(=O)[C@@H](C)N(C)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001574297325 1271173568 /nfs/dbraw/zinc/17/35/68/1271173568.db2.gz UBCOTLOXOINJLY-SECBINFHSA-N -2 0 360.378 0.387 20 0 FCADRL CCCN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@@H](C)C(=O)OCC ZINC001577660058 1274671725 /nfs/dbraw/zinc/67/17/25/1274671725.db2.gz VGMXSSDFDLXHKY-JTQLQIEISA-N -2 0 374.405 0.779 20 0 FCADRL CN(C(N)=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)c1 ZINC001578955804 1276499997 /nfs/dbraw/zinc/49/99/97/1276499997.db2.gz PGXDRHARSUXJHR-UHFFFAOYSA-N -2 0 374.386 0.577 20 0 FCADRL CN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@H]1CC(C)(C)OC1=O ZINC001579244782 1277046212 /nfs/dbraw/zinc/04/62/12/1277046212.db2.gz NDUAHDLCUPFPFM-JTQLQIEISA-N -2 0 358.362 0.141 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)n1 ZINC001603188073 1287325377 /nfs/dbraw/zinc/32/53/77/1287325377.db2.gz LIHQAUJGFYBDTF-MNOVXSKESA-N -2 0 366.399 0.365 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(-c2cnn(C)c2)o1 ZINC001603189640 1287326066 /nfs/dbraw/zinc/32/60/66/1287326066.db2.gz RXLRAMQWCYOPGI-RKDXNWHRSA-N -2 0 355.372 0.849 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCc1nc(-c2ccsc2)no1 ZINC001603204166 1287329594 /nfs/dbraw/zinc/32/95/94/1287329594.db2.gz KALCOHDLVYNBHU-ZETCQYMHSA-N -2 0 359.385 0.650 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001603201508 1287329717 /nfs/dbraw/zinc/32/97/17/1287329717.db2.gz HDQBVBLSPBTZGG-WPRPVWTQSA-N -2 0 362.404 0.519 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001603202478 1287329835 /nfs/dbraw/zinc/32/98/35/1287329835.db2.gz CMTJYNFRKSPXJO-VXNVDRBHSA-N -2 0 359.433 0.952 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1ccccc1Br ZINC001603205545 1287330361 /nfs/dbraw/zinc/33/03/61/1287330361.db2.gz XAVVIYSQYIBPEC-ZETCQYMHSA-N -2 0 350.190 0.911 20 0 FCADRL CC(C)C[C@@H](CNC(=O)C(=O)NCc1ccc(C(=O)[O-])s1)C(=O)[O-] ZINC001603770312 1287491313 /nfs/dbraw/zinc/49/13/13/1287491313.db2.gz SYJPOGIBANIVEQ-VIFPVBQESA-N -2 0 356.400 0.926 20 0 FCADRL CSCC[C@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1nnn[n-]1 ZINC001633456916 1282245549 /nfs/dbraw/zinc/24/55/49/1282245549.db2.gz GLQJHVKXNGSUDN-NSHDSACASA-N -2 0 370.460 0.795 20 0 FCADRL C[C@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001604257135 1287595738 /nfs/dbraw/zinc/59/57/38/1287595738.db2.gz VGZCVZGEOZMOTC-BHGXRVDKSA-N -2 0 354.403 0.561 20 0 FCADRL CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)[O-] ZINC001589659697 1282933131 /nfs/dbraw/zinc/93/31/31/1282933131.db2.gz HMXNQVZHEFPTSD-NSHDSACASA-N -2 0 364.337 0.560 20 0 FCADRL CC1(C(=O)[O-])CCN(C(=O)C(=O)NCCc2cccc(C(=O)[O-])c2)CC1 ZINC001604497225 1287649136 /nfs/dbraw/zinc/64/91/36/1287649136.db2.gz CEIUKVREQXDXFV-UHFFFAOYSA-N -2 0 362.382 0.757 20 0 FCADRL CCc1nnsc1C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001590934345 1283984033 /nfs/dbraw/zinc/98/40/33/1283984033.db2.gz YUCFNJSFBYLDDP-UHFFFAOYSA-N -2 0 373.358 0.386 20 0 FCADRL CO[C@@H]1CC[C@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1 ZINC001591347031 1284484239 /nfs/dbraw/zinc/48/42/39/1284484239.db2.gz AINVVIVIQBJDGZ-WCBMZHEXSA-N -2 0 359.346 0.473 20 0 FCADRL COCCC[C@H](C)C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001591408076 1284550636 /nfs/dbraw/zinc/55/06/36/1284550636.db2.gz SYNLOVPMYPKRFW-VIFPVBQESA-N -2 0 361.362 0.721 20 0 FCADRL COCCOc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)C[C@@H](C)OC ZINC001591445471 1284600774 /nfs/dbraw/zinc/60/07/74/1284600774.db2.gz LTDGIMQETZVYDC-SNVBAGLBSA-N -2 0 371.419 0.669 20 0 FCADRL Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CC[C@@H](CC(=O)[O-])C1 ZINC001591870770 1284958002 /nfs/dbraw/zinc/95/80/02/1284958002.db2.gz QMKRNNSCHDUMCB-JTQLQIEISA-N -2 0 351.388 0.660 20 0 FCADRL Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1nc2n(n1)CCCC2 ZINC001591873562 1284959794 /nfs/dbraw/zinc/95/97/94/1284959794.db2.gz RVBXFLFVYSEZOS-UHFFFAOYSA-N -2 0 360.403 0.904 20 0 FCADRL Cc1cc(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)ncc1-c1nn[nH]n1 ZINC001591913782 1285004750 /nfs/dbraw/zinc/00/47/50/1285004750.db2.gz LNCVJASOVPNRDP-UHFFFAOYSA-N -2 0 355.362 0.414 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)c(C(F)(F)F)n1 ZINC001592574612 1285490858 /nfs/dbraw/zinc/49/08/58/1285490858.db2.gz MBWIYDIVQSQETG-UHFFFAOYSA-N -2 0 374.308 0.815 20 0 FCADRL O=C(CCc1ncccn1)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001592856141 1285759999 /nfs/dbraw/zinc/75/99/99/1285759999.db2.gz HEQAEUKWWKWQMG-UHFFFAOYSA-N -2 0 367.329 0.081 20 0 FCADRL O=C(NCCCNc1ncc(-c2nn[nH]n2)cc1F)c1ncccc1O ZINC001593079154 1285976043 /nfs/dbraw/zinc/97/60/43/1285976043.db2.gz XTBCYQJNNVXJSP-UHFFFAOYSA-N -2 0 358.337 0.733 20 0 FCADRL O=C([O-])CCCC(=O)[N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001593278268 1286060598 /nfs/dbraw/zinc/06/05/98/1286060598.db2.gz WXUQEMGLYZELLJ-UHFFFAOYSA-N -2 0 371.350 0.207 20 0 FCADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-] ZINC001600020154 1286425122 /nfs/dbraw/zinc/42/51/22/1286425122.db2.gz HPCUUXFCKMISHT-NSHDSACASA-N -2 0 363.363 0.989 20 0 FCADRL Cc1c(S(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)cnn1-c1ccccn1 ZINC001600057443 1286434344 /nfs/dbraw/zinc/43/43/44/1286434344.db2.gz GQXLARSIHBXIQT-UHFFFAOYSA-N -2 0 360.355 0.865 20 0 FCADRL Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)C(=O)NCCC(=O)[O-] ZINC001600068104 1286436543 /nfs/dbraw/zinc/43/65/43/1286436543.db2.gz BECZACAUUPZACX-UHFFFAOYSA-N -2 0 373.159 0.985 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])ccc1N1CCNC1=O ZINC001600096162 1286440482 /nfs/dbraw/zinc/44/04/82/1286440482.db2.gz CUFZRLAPFWVMNC-VIFPVBQESA-N -2 0 355.372 0.057 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c1F ZINC001600114327 1286443477 /nfs/dbraw/zinc/44/34/77/1286443477.db2.gz CAJQKLNEULAYSG-SNVBAGLBSA-N -2 0 371.346 0.530 20 0 FCADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC001600225686 1286454780 /nfs/dbraw/zinc/45/47/80/1286454780.db2.gz SJIUAJRERSKLRT-UHFFFAOYSA-N -3 0 357.319 0.914 20 0 FCADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-] ZINC001600240287 1286458116 /nfs/dbraw/zinc/45/81/16/1286458116.db2.gz RZWHGMJCJIOXSN-SECBINFHSA-N -2 0 363.363 0.679 20 0 FCADRL Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)[N-]O[C@H]1CCCCO1 ZINC001600290222 1286469618 /nfs/dbraw/zinc/46/96/18/1286469618.db2.gz RFHSKGCZMCJRCR-AWEZNQCLSA-N -2 0 352.343 0.971 20 0 FCADRL Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC001600290304 1286469716 /nfs/dbraw/zinc/46/97/16/1286469716.db2.gz USQNGGCVRIURHC-ZDUSSCGKSA-N -2 0 352.343 0.622 20 0 FCADRL Cc1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@]3(CCOC3)C2)oc1C(=O)[O-] ZINC001600293815 1286470694 /nfs/dbraw/zinc/47/06/94/1286470694.db2.gz VBFWLVYZNHWWOF-OTYXRUKQSA-N -2 0 359.356 0.398 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)Cn2c(C)c(C)sc2=O)oc1C(=O)[O-] ZINC001600297766 1286471857 /nfs/dbraw/zinc/47/18/57/1286471857.db2.gz UMZXWYQXRJDMHW-UHFFFAOYSA-N -2 0 374.396 0.631 20 0 FCADRL Cc1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])s1 ZINC001600336140 1286478844 /nfs/dbraw/zinc/47/88/44/1286478844.db2.gz BVWHRGYQLMDSMB-UHFFFAOYSA-N -2 0 362.429 0.343 20 0 FCADRL Cc1ccc(NC(=O)CSCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1 ZINC001600449368 1286490447 /nfs/dbraw/zinc/49/04/47/1286490447.db2.gz YOMWYCOROKPZFC-SNVBAGLBSA-N -2 0 374.440 0.586 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)cc1C(=O)[O-] ZINC001600476977 1286492388 /nfs/dbraw/zinc/49/23/88/1286492388.db2.gz YZTLTAODRFOPAS-UHFFFAOYSA-N -2 0 356.400 0.474 20 0 FCADRL Cc1cccc(C)c1CS(=O)(=O)[N-]C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001600521204 1286502126 /nfs/dbraw/zinc/50/21/26/1286502126.db2.gz APLXKRAAODBQRM-UHFFFAOYSA-N -2 0 351.384 0.844 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)N2CCC[C@@H](C[C@@H](C)C(=O)[O-])C2)c1C(=O)[O-] ZINC001600673034 1286524032 /nfs/dbraw/zinc/52/40/32/1286524032.db2.gz SGWYEGNXBTXDET-SCZZXKLOSA-N -2 0 359.404 0.928 20 0 FCADRL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(=O)[nH]1 ZINC001600691802 1286527679 /nfs/dbraw/zinc/52/76/79/1286527679.db2.gz QRKUEJQUSRUELG-UHFFFAOYSA-N -2 0 365.367 0.545 20 0 FCADRL Cc1nc(CNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)ccc1C(=O)[O-] ZINC001600701714 1286529147 /nfs/dbraw/zinc/52/91/47/1286529147.db2.gz KWDQJGBHTXFBFH-UHFFFAOYSA-N -2 0 353.356 0.603 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)Cn1c(C)c(C)sc1=O ZINC001600834580 1286553201 /nfs/dbraw/zinc/55/32/01/1286553201.db2.gz WPBOBXWCSPLZAD-UHFFFAOYSA-N -2 0 374.396 0.631 20 0 FCADRL Cc1oc(CN(C)C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600841455 1286554883 /nfs/dbraw/zinc/55/48/83/1286554883.db2.gz YTDRRKDNWBGBJC-ZANVPECISA-N -2 0 366.370 0.814 20 0 FCADRL Cn1cc(C(=O)[O-])c(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])n1 ZINC001600933778 1286573025 /nfs/dbraw/zinc/57/30/25/1286573025.db2.gz QBFMRBNNNMNBMV-UHFFFAOYSA-N -2 0 373.300 0.558 20 0 FCADRL Cn1cc([C@H](NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])C(=O)[O-])cn1 ZINC001600938742 1286574235 /nfs/dbraw/zinc/57/42/35/1286574235.db2.gz DNPFHDRQBVIZIN-NSHDSACASA-N -2 0 357.319 0.362 20 0 FCADRL Cn1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CCOCC2)cc1C(=O)[O-] ZINC001600968460 1286584471 /nfs/dbraw/zinc/58/44/71/1286584471.db2.gz WNDRDDBXKOFLQK-NSHDSACASA-N -2 0 360.388 0.272 20 0 FCADRL Cn1cnn(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)cc2)c1=O ZINC001600996163 1286593446 /nfs/dbraw/zinc/59/34/46/1286593446.db2.gz SHJPBRWAAVYHNX-UHFFFAOYSA-N -2 0 364.339 0.663 20 0 FCADRL Cn1nccc1[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCCCC1)C(=O)[O-] ZINC001601034166 1286610595 /nfs/dbraw/zinc/61/05/95/1286610595.db2.gz BMUXZNLWOKZHCK-LLVKDONJSA-N -2 0 359.404 0.500 20 0 FCADRL Cn1nccc1[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)C(=O)[O-] ZINC001601034523 1286613395 /nfs/dbraw/zinc/61/33/95/1286613395.db2.gz YKWHMQKFKUXUFT-LLVKDONJSA-N -2 0 359.367 0.913 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])n1 ZINC001601150952 1286659582 /nfs/dbraw/zinc/65/95/82/1286659582.db2.gz SZHZTGVTQLRSAM-UHFFFAOYSA-N -2 0 356.335 0.397 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N(CC(=O)[O-])c2ccccc2)c1 ZINC001601200045 1286695827 /nfs/dbraw/zinc/69/58/27/1286695827.db2.gz ORGKZBKKBNBTJY-UHFFFAOYSA-N -2 0 350.352 0.771 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)COC2CCOCC2)c1 ZINC001601336761 1286731318 /nfs/dbraw/zinc/73/13/18/1286731318.db2.gz DKYUBFPJBFVETM-UHFFFAOYSA-N -2 0 357.384 0.526 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)CSCC(F)(F)F)CC1 ZINC001601346585 1286733224 /nfs/dbraw/zinc/73/32/24/1286733224.db2.gz UPLFKDMKWRRJOA-UHFFFAOYSA-N -2 0 364.367 0.440 20 0 FCADRL O=C([O-])C1(O)CCN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC001601376478 1286735696 /nfs/dbraw/zinc/73/56/96/1286735696.db2.gz SUFNWXSKGKRQIQ-UHFFFAOYSA-N -2 0 363.395 0.123 20 0 FCADRL O=C([O-])[C@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc(F)cc1 ZINC001601378853 1286736890 /nfs/dbraw/zinc/73/68/90/1286736890.db2.gz LHZOPTFBCRHORZ-LLVKDONJSA-N -2 0 359.317 0.195 20 0 FCADRL O=C([O-])[C@@H]1CCCCN1Cc1cn(CC(=O)[N-]OCc2ccccc2)nn1 ZINC001601383461 1286737234 /nfs/dbraw/zinc/73/72/34/1286737234.db2.gz IYEWJFQWAUVSIT-INIZCTEOSA-N -2 0 373.413 0.965 20 0 FCADRL O=C([O-])[C@H]1CCCCN1Cc1cn(CC(=O)[N-]OCc2ccccc2)nn1 ZINC001601383462 1286737890 /nfs/dbraw/zinc/73/78/90/1286737890.db2.gz IYEWJFQWAUVSIT-MRXNPFEDSA-N -2 0 373.413 0.965 20 0 FCADRL O=C([O-])[C@@H](C[C@H]1CCCOC1)NC(=O)c1nc[n-]c(=O)c1Br ZINC001601410387 1286741320 /nfs/dbraw/zinc/74/13/20/1286741320.db2.gz BUNQWCJSVMMTDE-HTQZYQBOSA-N -2 0 374.191 0.944 20 0 FCADRL O=C([O-])c1c(F)cccc1NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001601472947 1286757390 /nfs/dbraw/zinc/75/73/90/1286757390.db2.gz YTOGWTYGGDDQJW-UHFFFAOYSA-N -2 0 368.317 0.460 20 0 FCADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC001601507203 1286773187 /nfs/dbraw/zinc/77/31/87/1286773187.db2.gz GMEZGHXDEBVGFP-UHFFFAOYSA-N -2 0 366.342 0.552 20 0 FCADRL O=C([N-]Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)o1)C(F)(F)F ZINC001601578612 1286787156 /nfs/dbraw/zinc/78/71/56/1286787156.db2.gz RREGJTANHYXHRI-ZFUMSHNSSA-N -2 0 350.249 0.166 20 0 FCADRL O=C([O-])c1ccccc1NC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001601622014 1286795106 /nfs/dbraw/zinc/79/51/06/1286795106.db2.gz ZNUAUNZNUFMEHU-DYZYQPBXSA-N -2 0 362.338 0.273 20 0 FCADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC001601663198 1286803390 /nfs/dbraw/zinc/80/33/90/1286803390.db2.gz PXPRCHLPCITVOS-UHFFFAOYSA-N -2 0 363.111 0.981 20 0 FCADRL O=C([O-])C1=NO[C@]2(CCN(CC3=Nc4ccccc4S(=O)(=O)[N-]3)C2)C1 ZINC001601745594 1286820009 /nfs/dbraw/zinc/82/00/09/1286820009.db2.gz VEDHKDGCXWKLPM-OAHLLOKOSA-N -2 0 364.383 0.314 20 0 FCADRL O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001601805932 1286838551 /nfs/dbraw/zinc/83/85/51/1286838551.db2.gz ABRCQJRZWOFCRV-HBNTYKKESA-N -2 0 358.420 0.663 20 0 FCADRL O=C([O-])[C@@H]1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)[C@@H]([C@H]2CCCO2)C1 ZINC001601821349 1286842622 /nfs/dbraw/zinc/84/26/22/1286842622.db2.gz NHIPJGHBSXZYSS-OPRDCNLKSA-N -2 0 356.404 0.473 20 0 FCADRL O=C([O-])[C@@H]1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)[C@H]([C@H]2CCCO2)C1 ZINC001601821348 1286843107 /nfs/dbraw/zinc/84/31/07/1286843107.db2.gz NHIPJGHBSXZYSS-KXUCPTDWSA-N -2 0 356.404 0.473 20 0 FCADRL O=C([O-])[C@@H]1c2ccccc2OCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001601872609 1286860011 /nfs/dbraw/zinc/86/00/11/1286860011.db2.gz PSNNECZKAWREFV-ZDUSSCGKSA-N -2 0 362.342 0.516 20 0 FCADRL O=C([O-])C=Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cc1 ZINC001601883711 1286861848 /nfs/dbraw/zinc/86/18/48/1286861848.db2.gz ONWFRABMPDUIHA-VUUYWXRKSA-N -2 0 365.367 0.482 20 0 FCADRL O=C([O-])CC1(C[N@@H+]2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])CC1 ZINC001601915525 1286871303 /nfs/dbraw/zinc/87/13/03/1286871303.db2.gz NHSLAJHOYKRFDG-WPRPVWTQSA-N -2 0 352.309 0.837 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CC1(Cn2cnnn2)CCCCC1 ZINC001601998851 1286893347 /nfs/dbraw/zinc/89/33/47/1286893347.db2.gz KGBBHZDHJREKNV-UHFFFAOYSA-N -2 0 373.435 0.325 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC001602027654 1286908733 /nfs/dbraw/zinc/90/87/33/1286908733.db2.gz IYXRTAVEPBDDLU-LLVKDONJSA-N -2 0 354.384 0.498 20 0 FCADRL O=C([O-])CCOc1ccc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])cc1 ZINC001602027788 1286908951 /nfs/dbraw/zinc/90/89/51/1286908951.db2.gz QWHOVPTUIPJSQN-JTQLQIEISA-N -2 0 367.326 0.927 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)COCc1nc2ccccc2s1 ZINC001602028238 1286909179 /nfs/dbraw/zinc/90/91/79/1286909179.db2.gz QFYCIHXEUIOISJ-UHFFFAOYSA-N -2 0 358.397 0.734 20 0 FCADRL O=C([O-])CNC(=O)Cc1ccc(NC(=O)C(=O)[N-]OC/C=C\Cl)cc1 ZINC001602071338 1286925310 /nfs/dbraw/zinc/92/53/10/1286925310.db2.gz CERUGWLYRYCUCH-BHQIHCQQSA-N -2 0 369.761 0.169 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC001602096600 1286934195 /nfs/dbraw/zinc/93/41/95/1286934195.db2.gz AKULKTINJUHJGX-WOPDTQHZSA-N -2 0 368.415 0.145 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC001602097891 1286935872 /nfs/dbraw/zinc/93/58/72/1286935872.db2.gz XYBOIAGFUUGSNM-LBPRGKRZSA-N -2 0 366.395 0.059 20 0 FCADRL O=C([O-])Cc1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)cc1F ZINC001602122515 1286942254 /nfs/dbraw/zinc/94/22/54/1286942254.db2.gz RNSHTAXIXIIJHR-UHFFFAOYSA-N -2 0 352.318 0.762 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N2CC3(CCOCC3)[C@H]2C(=O)[O-])cc1 ZINC001602131463 1286944234 /nfs/dbraw/zinc/94/42/34/1286944234.db2.gz VPJHQISUECZEEQ-CQSZACIVSA-N -2 0 369.395 0.568 20 0 FCADRL O=C([O-])Cc1cccc(S(=O)(=O)N[C@H](Cc2ccco2)C(=O)[O-])c1 ZINC001602141947 1286947253 /nfs/dbraw/zinc/94/72/53/1286947253.db2.gz CUBVKKTYMMICAZ-CYBMUJFWSA-N -2 0 353.352 0.881 20 0 FCADRL O=C([O-])Cc1cccc(S(=O)(=O)NCCc2cccc(C(=O)[O-])n2)c1 ZINC001602143192 1286948348 /nfs/dbraw/zinc/94/83/48/1286948348.db2.gz OFCSOIYEQNOWMH-UHFFFAOYSA-N -2 0 364.379 0.928 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])cn1 ZINC001602164188 1286953685 /nfs/dbraw/zinc/95/36/85/1286953685.db2.gz TVBXWSYYWTZSPS-RYUDHWBXSA-N -2 0 359.404 0.670 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)NC[C@H](C(=O)[O-])c2ccccc2)cn1 ZINC001602164310 1286954352 /nfs/dbraw/zinc/95/43/52/1286954352.db2.gz ZGSCTLIYNGGASQ-LBPRGKRZSA-N -2 0 353.356 0.114 20 0 FCADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCO3)cn1 ZINC001602163854 1286954418 /nfs/dbraw/zinc/95/44/18/1286954418.db2.gz UQYVSESUGVJNRU-UHFFFAOYSA-N -2 0 351.340 0.734 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)N2[C@H](C(=O)[O-])CC[C@@H]3CCCC[C@@H]32)cn1 ZINC001602163833 1286954471 /nfs/dbraw/zinc/95/44/71/1286954471.db2.gz SBZPFQVEPHXRER-DRZSPHRISA-N -2 0 371.415 0.764 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)n1 ZINC001602166304 1286955218 /nfs/dbraw/zinc/95/52/18/1286955218.db2.gz LNJPRRLJIMGXDE-UHFFFAOYSA-N -2 0 370.774 0.946 20 0 FCADRL O=C([O-])[C@@H](O)C[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC001602171174 1286956176 /nfs/dbraw/zinc/95/61/76/1286956176.db2.gz FMRFIBJHYVLKNI-ZETCQYMHSA-N -2 0 364.173 0.919 20 0 FCADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C(=O)[C@]2(F)CCOC2)c1F ZINC001602228532 1286972338 /nfs/dbraw/zinc/97/23/38/1286972338.db2.gz PYKZNZTYRLBZOC-LBPRGKRZSA-N -2 0 353.274 0.597 20 0 FCADRL O=C([O-])c1cc(C2CN(C(=O)c3ccc(-c4nc(=O)o[n-]4)cc3)C2)[nH]n1 ZINC001602253824 1286977235 /nfs/dbraw/zinc/97/72/35/1286977235.db2.gz HPUZDPQMLSBVDT-UHFFFAOYSA-N -2 0 355.310 0.691 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])ccc1Cl ZINC001602292896 1286983371 /nfs/dbraw/zinc/98/33/71/1286983371.db2.gz KHKFWXYHQLAKKO-LLVKDONJSA-N -2 0 373.774 0.736 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CC[C@@H](O)COCc2ccccc2)on1 ZINC001602295058 1286985874 /nfs/dbraw/zinc/98/58/74/1286985874.db2.gz JOIQJMUFRTWSKD-GFCCVEGCSA-N -2 0 370.383 0.619 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)c2cc3n(n2)CCCO3)cc1 ZINC001602354004 1286989949 /nfs/dbraw/zinc/98/99/49/1286989949.db2.gz LTPKRZFTOVHMEP-UHFFFAOYSA-N -2 0 365.367 0.624 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)c2cnn3cccnc23)cc1 ZINC001602355104 1286990841 /nfs/dbraw/zinc/99/08/41/1286990841.db2.gz OZYYFXLOBPGJEJ-UHFFFAOYSA-N -2 0 360.351 0.687 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CC3(CCOCC3)[C@@H]2C(=O)[O-])s1 ZINC001602392898 1286993401 /nfs/dbraw/zinc/99/34/01/1286993401.db2.gz KGMAJIFCQXOULK-JTQLQIEISA-N -2 0 361.397 0.701 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)s1 ZINC001602393210 1286994139 /nfs/dbraw/zinc/99/41/39/1286994139.db2.gz PQLMKVIWBBIUHW-BQBZGAKWSA-N -3 0 363.369 0.242 20 0 FCADRL O=C([O-])c1csc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccccc2)c1 ZINC001602563057 1287025430 /nfs/dbraw/zinc/02/54/30/1287025430.db2.gz MTPQXMDSBDOGJS-RYUDHWBXSA-N -2 0 371.392 0.911 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)[C@H]1CCc2ncncc2C1 ZINC001602583499 1287030639 /nfs/dbraw/zinc/03/06/39/1287030639.db2.gz NKLFKXQDLFELTJ-ZETCQYMHSA-N -2 0 368.396 0.241 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)C(F)(F)c1nccs1 ZINC001602584063 1287030966 /nfs/dbraw/zinc/03/09/66/1287030966.db2.gz YEGBAHSAUZAVKD-UHFFFAOYSA-N -2 0 369.352 0.895 20 0 FCADRL O=C([O-])C(F)=C(NCCc1ccc(F)cc1)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001602655854 1287051623 /nfs/dbraw/zinc/05/16/23/1287051623.db2.gz ISHWLCPGULFJAU-JTQLQIEISA-N -2 0 369.349 0.166 20 0 FCADRL O=C([O-])C(F)=C(Nc1cccc(Cl)c1)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001602656476 1287052901 /nfs/dbraw/zinc/05/29/01/1287052901.db2.gz OYJDJAWQSOGXIO-MRVPVSSYSA-N -2 0 357.750 0.960 20 0 FCADRL CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)C1 ZINC001603016014 1287185651 /nfs/dbraw/zinc/18/56/51/1287185651.db2.gz FWVHXRFBTZKDDJ-CQSZACIVSA-N -2 0 358.372 0.350 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@@H](CF)C(=O)[O-])c1 ZINC001603073748 1287203480 /nfs/dbraw/zinc/20/34/80/1287203480.db2.gz UANBYCPFYSXTLE-NSHDSACASA-N -2 0 361.351 0.169 20 0 FCADRL CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-] ZINC001604884299 1287806376 /nfs/dbraw/zinc/80/63/76/1287806376.db2.gz NPRDALPHSJYCLA-LURJTMIESA-N -2 0 365.385 0.717 20 0 FCADRL CCC[C@H](NS(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-])C(=O)[O-] ZINC001605360522 1287938221 /nfs/dbraw/zinc/93/82/21/1287938221.db2.gz QCGIPVREXNJENY-LURJTMIESA-N -2 0 365.385 0.765 20 0 FCADRL CCN(CC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])C(=O)OC(C)(C)C ZINC001605413481 1287951699 /nfs/dbraw/zinc/95/16/99/1287951699.db2.gz SQEKTARHQRNNMO-VHSXEESVSA-N -2 0 366.436 0.799 20 0 FCADRL CCOc1cc(C(=O)NC2(C(=O)[O-])CCOCC2)ccc1OCC(=O)[O-] ZINC001605658561 1288045418 /nfs/dbraw/zinc/04/54/18/1288045418.db2.gz ABAAUQXTBJGYLE-UHFFFAOYSA-N -2 0 367.354 0.912 20 0 FCADRL CCn1nccc1C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001605945014 1288106207 /nfs/dbraw/zinc/10/62/07/1288106207.db2.gz HHYMAXDYYAGSRH-UHFFFAOYSA-N -2 0 359.310 0.998 20 0 FCADRL CN(C)C(=O)c1cc(F)ccc1NC(=O)C(=O)[N-]OCCCC(=O)[O-] ZINC001606002844 1288126960 /nfs/dbraw/zinc/12/69/60/1288126960.db2.gz IPSWGUPBOMLXQF-UHFFFAOYSA-N -2 0 355.322 0.379 20 0 FCADRL CN1C(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001606185396 1288202635 /nfs/dbraw/zinc/20/26/35/1288202635.db2.gz RWPNFPFYRRZTPG-MRVPVSSYSA-N -2 0 360.775 0.464 20 0 FCADRL COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC001606326579 1288262424 /nfs/dbraw/zinc/26/24/24/1288262424.db2.gz YQYUBQJLSGEWGP-JTQLQIEISA-N -2 0 359.356 0.296 20 0 FCADRL COC(=O)c1c(C)nn(C)c1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001606525745 1288362924 /nfs/dbraw/zinc/36/29/24/1288362924.db2.gz XPWKIIZLYSHCQW-UHFFFAOYSA-N -2 0 360.373 0.471 20 0 FCADRL O=C(Cc1ccco1)[N-]S(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 ZINC001606604245 1288403117 /nfs/dbraw/zinc/40/31/17/1288403117.db2.gz DPEXNLKYJNPBNZ-UHFFFAOYSA-N -2 0 351.319 0.646 20 0 FCADRL COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001606777296 1288508504 /nfs/dbraw/zinc/50/85/04/1288508504.db2.gz OCUCCMXWLDJYGA-VIFPVBQESA-N -2 0 351.764 0.758 20 0 FCADRL COC[C@@](C)([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F)C(=O)[O-] ZINC001606791228 1288520087 /nfs/dbraw/zinc/52/00/87/1288520087.db2.gz IHVJODDWIJZYOI-VERVWZFWSA-N -2 0 368.408 0.607 20 0 FCADRL COC[C@@H](NS(=O)(=O)c1c([O-])cccc1OC(F)(F)F)C(=O)[O-] ZINC001606816434 1288530808 /nfs/dbraw/zinc/53/08/08/1288530808.db2.gz WRIUGTSMORSHKK-ZCFIWIBFSA-N -2 0 359.278 0.669 20 0 FCADRL COCC[C@H](NS(=O)(=O)c1cc(COC)cc(C(=O)[O-])c1)C(=O)[O-] ZINC001606862709 1288542360 /nfs/dbraw/zinc/54/23/60/1288542360.db2.gz CJFAJGBWLMZEDX-LBPRGKRZSA-N -2 0 361.372 0.299 20 0 FCADRL O=C([N-]Cc1ccc(C(=O)Nc2c[nH]nc2-c2nnn[n-]2)o1)C(F)(F)F ZINC001606945879 1288571600 /nfs/dbraw/zinc/57/16/00/1288571600.db2.gz RMCVNSQDHFNFJT-UHFFFAOYSA-N -2 0 370.251 0.614 20 0 FCADRL O=C([O-])[C@H](CC(F)F)NS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001606959196 1288575405 /nfs/dbraw/zinc/57/54/05/1288575405.db2.gz IZYHBHZCXQAQIM-BYPYZUCNSA-N -2 0 353.332 0.315 20 0 FCADRL O=C([O-])CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001606961543 1288576446 /nfs/dbraw/zinc/57/64/46/1288576446.db2.gz UPGAMKVIHZYCLU-VIFPVBQESA-N -2 0 355.376 0.868 20 0 FCADRL O=C([O-])[C@H]1N(S(=O)(=O)c2ccsc2-c2nnn[n-]2)CC12CCCC2 ZINC001606960468 1288576453 /nfs/dbraw/zinc/57/64/53/1288576453.db2.gz IQZGGTGJUAEHMU-SNVBAGLBSA-N -2 0 369.428 0.946 20 0 FCADRL COCc1ccccc1CS(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])no1 ZINC001606968263 1288579189 /nfs/dbraw/zinc/57/91/89/1288579189.db2.gz FTNFYURFYYUQAT-UHFFFAOYSA-N -2 0 354.340 0.779 20 0 FCADRL COc1cc(F)ccc1S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-] ZINC001607169960 1288676710 /nfs/dbraw/zinc/67/67/10/1288676710.db2.gz ILKWEROFBRVJFW-UHFFFAOYSA-N -2 0 351.377 0.847 20 0 FCADRL COc1ccc(CNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)cc1C(=O)[O-] ZINC001607252240 1288687926 /nfs/dbraw/zinc/68/79/26/1288687926.db2.gz OOLRNVUEDYWLFJ-UHFFFAOYSA-N -2 0 364.354 0.333 20 0 FCADRL COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001607253979 1288689177 /nfs/dbraw/zinc/68/91/77/1288689177.db2.gz IQTYCOPXDZJQFJ-WDEREUQCSA-N -2 0 364.354 0.379 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1CC(=O)[O-] ZINC001607290071 1288695856 /nfs/dbraw/zinc/69/58/56/1288695856.db2.gz ZQQFLGYZMYYKIC-UHFFFAOYSA-N -3 0 369.355 0.404 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2nc(N(C)C)n[nH]2)c(OC)c1C(=O)[O-] ZINC001607289947 1288696255 /nfs/dbraw/zinc/69/62/55/1288696255.db2.gz NSEFILZOKQIJKP-UHFFFAOYSA-N -2 0 371.375 0.387 20 0 FCADRL CS(=O)(=O)[N-]c1nnc(NC(=O)c2cccc(OCC(=O)[O-])c2)s1 ZINC001607376009 1288702108 /nfs/dbraw/zinc/70/21/08/1288702108.db2.gz KNUONDLMTFWJJN-UHFFFAOYSA-N -2 0 372.384 0.625 20 0 FCADRL C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C[C@@H](C(=O)[O-])O1 ZINC001607427581 1288706416 /nfs/dbraw/zinc/70/64/16/1288706416.db2.gz FQXGSVBQHAPXNG-HQJQHLMTSA-N -2 0 354.290 0.163 20 0 FCADRL C[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001607456966 1288710152 /nfs/dbraw/zinc/71/01/52/1288710152.db2.gz RCOJDPQNQORHPX-QMMMGPOBSA-N -2 0 352.409 0.456 20 0 FCADRL C[C@H]1CN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CC[C@H]1C(=O)[O-] ZINC001607467485 1288714587 /nfs/dbraw/zinc/71/45/87/1288714587.db2.gz XFZSMWIXKWSRMD-WCQYABFASA-N -2 0 354.403 0.659 20 0 FCADRL C[C@H]1CN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C[C@@H](C(=O)[O-])O1 ZINC001607470970 1288716805 /nfs/dbraw/zinc/71/68/05/1288716805.db2.gz FVGLOSRBCVRXRJ-CABZTGNLSA-N -2 0 363.395 0.386 20 0 FCADRL Cc1cc(C(=O)N[C@@H](CO)C(=O)[O-])ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001607580375 1288728195 /nfs/dbraw/zinc/72/81/95/1288728195.db2.gz IDQLYFFAOJIKCO-VIFPVBQESA-N -2 0 370.305 0.432 20 0 FCADRL Cc1cc(C)c(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c(C)c1CC(=O)[O-] ZINC001607622468 1288730334 /nfs/dbraw/zinc/73/03/34/1288730334.db2.gz WUGWNSPEIIVJBS-ZDUSSCGKSA-N -2 0 371.411 0.713 20 0 FCADRL Cc1ncsc1[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(=O)[O-] ZINC001607994478 1288756485 /nfs/dbraw/zinc/75/64/85/1288756485.db2.gz RVLHHKODEFHXFY-VIFPVBQESA-N -2 0 357.369 0.649 20 0 FCADRL Cn1cc(C[C@@H]2CCC[C@@H]2[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cn1 ZINC001608109296 1288770799 /nfs/dbraw/zinc/77/07/99/1288770799.db2.gz AMOALBHGLPVMRO-QWRGUYRKSA-N -2 0 354.388 0.796 20 0 FCADRL Cn1nc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c2ccccc2c1=O ZINC001608141037 1288780043 /nfs/dbraw/zinc/78/00/43/1288780043.db2.gz PCNDHAGXTRUNKH-UHFFFAOYSA-N -2 0 367.383 0.104 20 0 FCADRL Cn1nnc2cc(S(=O)(=O)[N-]C(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)ccc21 ZINC001608168365 1288786319 /nfs/dbraw/zinc/78/63/19/1288786319.db2.gz PQEFKTXQRSQXET-VHSXEESVSA-N -2 0 366.399 0.664 20 0 FCADRL NC(=O)Cn1ccc([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)[O-])n1 ZINC001608236829 1288798767 /nfs/dbraw/zinc/79/87/67/1288798767.db2.gz IWEUXEORKZVDFK-UHFFFAOYSA-N -2 0 358.763 0.521 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)NCc2ccccc2CC(=O)[O-])c1 ZINC001608262464 1288808227 /nfs/dbraw/zinc/80/82/27/1288808227.db2.gz AOHOLKRSICKCDY-UHFFFAOYSA-N -2 0 364.379 0.597 20 0 FCADRL O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC001608373372 1288832067 /nfs/dbraw/zinc/83/20/67/1288832067.db2.gz YSZGTKIREPIJEL-NOZJJQNGSA-N -2 0 363.395 0.291 20 0 FCADRL O=C([O-])CCCO[N-]C(=O)C(=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC001608715850 1288867845 /nfs/dbraw/zinc/86/78/45/1288867845.db2.gz JFVSEIIHXIJUFZ-UHFFFAOYSA-N -2 0 350.306 0.863 20 0 FCADRL O=C([O-])CCCO[N-]C(=O)C(=O)Nc1cccc(CN2CCCC2=O)c1 ZINC001608715776 1288868413 /nfs/dbraw/zinc/86/84/13/1288868413.db2.gz FQMYZGJTGVMVAI-UHFFFAOYSA-N -2 0 363.370 0.660 20 0 FCADRL O=C([O-])CCN(CC(=O)[O-])C(=O)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC001608720738 1288869493 /nfs/dbraw/zinc/86/94/93/1288869493.db2.gz BLVQDGDSOABPDD-INIZCTEOSA-N -2 0 368.361 0.587 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCN2CC(F)(F)F)on1 ZINC001608861113 1288877345 /nfs/dbraw/zinc/87/73/45/1288877345.db2.gz QEMYLORJZKNOQI-ZETCQYMHSA-N -2 0 357.310 0.678 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)on1 ZINC001608860855 1288878042 /nfs/dbraw/zinc/87/80/42/1288878042.db2.gz DKNVVIYJFYMWHV-ABAIWWIYSA-N -2 0 370.358 0.956 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCN(c3ncccc3Cl)C2)on1 ZINC001608860490 1288878063 /nfs/dbraw/zinc/87/80/63/1288878063.db2.gz NSJUWYSFSNQSMD-QMMMGPOBSA-N -2 0 372.790 0.978 20 0 FCADRL O=C([O-])C(F)=C(NC1CCCCCCC1)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001609043544 1288885421 /nfs/dbraw/zinc/88/54/21/1288885421.db2.gz CPVPRYRSSBHEOZ-JTQLQIEISA-N -2 0 357.407 0.897 20 0 FCADRL O=C([O-])C(F)=C(Nc1cccc2cccnc21)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001609044416 1288887165 /nfs/dbraw/zinc/88/71/65/1288887165.db2.gz VFACQLQRRIJLEX-SNVBAGLBSA-N -2 0 374.353 0.854 20 0 FCADRL C[C@H](OCC1CC1)C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001609133219 1288939446 /nfs/dbraw/zinc/93/94/46/1288939446.db2.gz WOOULOJRKCVGRV-QMMMGPOBSA-N -2 0 359.346 0.473 20 0 FCADRL C[C@@]1(C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCCCO1 ZINC001609143027 1288945025 /nfs/dbraw/zinc/94/50/25/1288945025.db2.gz VWEOSBSWABLQSF-HNNXBMFYSA-N -2 0 359.346 0.617 20 0 FCADRL CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)cn1 ZINC001609235515 1289008865 /nfs/dbraw/zinc/00/88/65/1289008865.db2.gz FDNULCQQLQOSBC-UHFFFAOYSA-N -2 0 364.343 0.832 20 0 FCADRL O=C(OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@H](O)C1CCCCC1 ZINC001609575736 1289236576 /nfs/dbraw/zinc/23/65/76/1289236576.db2.gz GEWDTYXCIRPDFW-CYBMUJFWSA-N -2 0 373.373 0.599 20 0 FCADRL CC(=O)NCCN(C(=O)CCc1ccc(C(=O)[O-])cc1)[C@@H](C)C(=O)[O-] ZINC001609621571 1289265462 /nfs/dbraw/zinc/26/54/62/1289265462.db2.gz PCRUEUGEPIQWCD-NSHDSACASA-N -2 0 350.371 0.755 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1F ZINC001609624658 1289267278 /nfs/dbraw/zinc/26/72/78/1289267278.db2.gz JCIIVVHRFIJVMW-UHFFFAOYSA-N -2 0 357.323 0.261 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCN1C(=O)OC(C)(C)C ZINC001609638651 1289269943 /nfs/dbraw/zinc/26/99/43/1289269943.db2.gz JCMRLJZUIYWDPF-KXUCPTDWSA-N -2 0 364.420 0.551 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1ccoc1 ZINC001609638522 1289270146 /nfs/dbraw/zinc/27/01/46/1289270146.db2.gz HORWIJCGSGRGIU-BDAKNGLRSA-N -2 0 355.372 0.849 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)c1cccs1 ZINC001609639437 1289270793 /nfs/dbraw/zinc/27/07/93/1289270793.db2.gz XTYRASASXBURGL-DTWKUNHWSA-N -2 0 362.429 0.423 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCc1ccc(C(N)=O)cc1 ZINC001609638699 1289270854 /nfs/dbraw/zinc/27/08/54/1289270854.db2.gz JRSNWELBTBOQFU-ZJUUUORDSA-N -2 0 356.400 0.273 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC001609639560 1289271399 /nfs/dbraw/zinc/27/13/99/1289271399.db2.gz ZKVOGXZFIQRQLE-AUTRQRHGSA-N -2 0 355.368 0.323 20 0 FCADRL CC(C)(C(=O)[O-])C1(O)CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC001609649825 1289272960 /nfs/dbraw/zinc/27/29/60/1289272960.db2.gz ZHNFDKRQAFBJEK-UHFFFAOYSA-N -2 0 360.388 0.339 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C1CCCCC1 ZINC001609759516 1289293203 /nfs/dbraw/zinc/29/32/03/1289293203.db2.gz JEOPPSJTIQFRFW-GARJFASQSA-N -2 0 362.448 0.627 20 0 FCADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)C1 ZINC001609839712 1289309816 /nfs/dbraw/zinc/30/98/16/1289309816.db2.gz MQZUYVYHWDNRQN-UTUOFQBUSA-N -2 0 352.387 0.269 20 0 FCADRL CCNC(=O)c1ccc(C)c(NC(=O)C(=O)[N-]OCCCC(=O)[O-])c1 ZINC001610009530 1289343806 /nfs/dbraw/zinc/34/38/06/1289343806.db2.gz XHKOGKXSGXVGDX-UHFFFAOYSA-N -2 0 351.359 0.596 20 0 FCADRL CCOC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])nc1C ZINC001610022897 1289350189 /nfs/dbraw/zinc/35/01/89/1289350189.db2.gz QNZIMLBYYWHFAE-SCZZXKLOSA-N -2 0 372.399 0.736 20 0 FCADRL CCc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)OC)cc1C(=O)[O-] ZINC001610063347 1289361619 /nfs/dbraw/zinc/36/16/19/1289361619.db2.gz YBWUSXJXCWBMSA-NSHDSACASA-N -2 0 359.356 0.242 20 0 FCADRL CCc1nn(C)c(CC)c1CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001610072484 1289362737 /nfs/dbraw/zinc/36/27/37/1289362737.db2.gz FHAFCPUABOZMOX-UHFFFAOYSA-N -2 0 359.448 0.644 20 0 FCADRL CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)ccn1 ZINC001610098352 1289371456 /nfs/dbraw/zinc/37/14/56/1289371456.db2.gz ZMINEQAJEACBLJ-UHFFFAOYSA-N -2 0 350.356 0.099 20 0 FCADRL CN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC001610109874 1289375685 /nfs/dbraw/zinc/37/56/85/1289375685.db2.gz SYLFNMSBFDIYGB-UHFFFAOYSA-N -2 0 370.152 0.992 20 0 FCADRL CN1C(=O)C[C@@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])[C@@H]1c1cccc(Cl)c1 ZINC001610127402 1289382814 /nfs/dbraw/zinc/38/28/14/1289382814.db2.gz LQZZNZNVPAAHQJ-MFKMUULPSA-N -2 0 374.802 0.390 20 0 FCADRL CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC001610141687 1289395260 /nfs/dbraw/zinc/39/52/60/1289395260.db2.gz OVUUDTJKLSWURJ-UHFFFAOYSA-N -2 0 368.371 0.585 20 0 FCADRL COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001610150016 1289399514 /nfs/dbraw/zinc/39/95/14/1289399514.db2.gz AIYCHYBDSUCHRX-GHMZBOCLSA-N -2 0 371.411 0.961 20 0 FCADRL CO[C@](C)(CS(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])no1)c1ccccc1 ZINC001610227826 1289432418 /nfs/dbraw/zinc/43/24/18/1289432418.db2.gz ALXDMHYAHLCSRR-OAHLLOKOSA-N -2 0 368.367 0.994 20 0 FCADRL COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001610258536 1289440788 /nfs/dbraw/zinc/44/07/88/1289440788.db2.gz OFBDCXVJFJEHCQ-VIFPVBQESA-N -2 0 363.363 0.563 20 0 FCADRL COCCOc1cc(OC)ccc1C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001610262120 1289442235 /nfs/dbraw/zinc/44/22/35/1289442235.db2.gz ASLLIOKUBQSBGA-SECBINFHSA-N -2 0 361.372 0.253 20 0 FCADRL COc1cc2c(cc1C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])OCO2 ZINC001610308346 1289457614 /nfs/dbraw/zinc/45/76/14/1289457614.db2.gz UHXPQROVKBEQDM-HTQZYQBOSA-N -2 0 359.356 0.593 20 0 FCADRL COc1ccc(C)cc1CC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001610323494 1289460296 /nfs/dbraw/zinc/46/02/96/1289460296.db2.gz SOKHUCSYHCLHFM-UHFFFAOYSA-N -2 0 370.427 0.704 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H]2C(=O)[O-])c(CC(=O)[O-])c1 ZINC001610345276 1289465597 /nfs/dbraw/zinc/46/55/97/1289465597.db2.gz PWJWEIPYUOJQAT-OTYXRUKQSA-N -2 0 357.384 0.806 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)c2ccn(C)n2)c(CC(=O)[O-])c1 ZINC001610345970 1289466291 /nfs/dbraw/zinc/46/62/91/1289466291.db2.gz JKECUCAVTISBMD-UHFFFAOYSA-N -2 0 353.356 0.175 20 0 FCADRL COc1ccccc1[C@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(=O)[O-] ZINC001610363827 1289470168 /nfs/dbraw/zinc/47/01/68/1289470168.db2.gz UYRKKEYIIFBXSW-LBPRGKRZSA-N -2 0 354.340 0.826 20 0 FCADRL C[C@H]1OCCN(S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)[C@@H]1C(=O)[O-] ZINC001610396286 1289479453 /nfs/dbraw/zinc/47/94/53/1289479453.db2.gz CQXBXHYBUWXMKQ-MFKMUULPSA-N -2 0 369.395 0.665 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])nnn1-c1cccc(Cl)c1 ZINC001610407684 1289480618 /nfs/dbraw/zinc/48/06/18/1289480618.db2.gz KWYBDNBSZITEFR-UHFFFAOYSA-N -2 0 372.790 0.763 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])nn1-c1ccc(F)cc1 ZINC001610436594 1289487481 /nfs/dbraw/zinc/48/74/81/1289487481.db2.gz CIJGXFIYRKSFEV-SECBINFHSA-N -2 0 355.347 0.853 20 0 FCADRL Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccnn2C)c(C(=O)[O-])c1 ZINC001610512327 1289498087 /nfs/dbraw/zinc/49/80/87/1289498087.db2.gz FXPGAQPNTAOXII-LBPRGKRZSA-N -2 0 353.356 0.531 20 0 FCADRL Cc1cnn(C[C@H](NS(=O)(=O)c2ccc(F)cc2C(=O)[O-])C(=O)[O-])c1 ZINC001610542119 1289504056 /nfs/dbraw/zinc/50/40/56/1289504056.db2.gz SKVULHQWGZRMOF-NSHDSACASA-N -2 0 371.346 0.461 20 0 FCADRL Cc1cnn(C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)C(=O)[O-])c1 ZINC001610542192 1289504571 /nfs/dbraw/zinc/50/45/71/1289504571.db2.gz XRLRACUWSAOYLY-SECBINFHSA-N -2 0 359.385 0.383 20 0 FCADRL Cc1nc2ccccc2n1CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001610561586 1289511124 /nfs/dbraw/zinc/51/11/24/1289511124.db2.gz OOVGKNPIGLJQFG-UHFFFAOYSA-N -2 0 353.400 0.902 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)[O-])sc1Br ZINC001610560727 1289511206 /nfs/dbraw/zinc/51/12/06/1289511206.db2.gz NIGYJNRNDUGXBI-RXMQYKEDSA-N -2 0 373.250 0.716 20 0 FCADRL Cc1nn2cc(S(=O)(=O)[N-]c3ccn(CC(=O)[O-])n3)cnc2c1Cl ZINC001610573914 1289514394 /nfs/dbraw/zinc/51/43/94/1289514394.db2.gz TVZLMFUEZZNSRL-UHFFFAOYSA-N -2 0 370.778 0.773 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001610581360 1289517137 /nfs/dbraw/zinc/51/71/37/1289517137.db2.gz WMAYIMMQFDCOEO-UHFFFAOYSA-N -2 0 356.360 0.678 20 0 FCADRL Cn1c(=O)oc2c1cccc2C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001610595770 1289521933 /nfs/dbraw/zinc/52/19/33/1289521933.db2.gz QKAGZDPDKPDGEU-UHFFFAOYSA-N -2 0 356.356 0.302 20 0 FCADRL Cn1cc(C[C@H](NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C(=O)[O-])cn1 ZINC001610603526 1289524074 /nfs/dbraw/zinc/52/40/74/1289524074.db2.gz KTAFGGCONBXDRJ-ZDUSSCGKSA-N -2 0 367.383 0.234 20 0 FCADRL Cn1ccc([C@@H](NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C(=O)[O-])n1 ZINC001610608888 1289526714 /nfs/dbraw/zinc/52/67/14/1289526714.db2.gz VKCREALFYKLXHJ-CYBMUJFWSA-N -2 0 373.394 0.361 20 0 FCADRL Cn1cnc2c1nccc2C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001610611355 1289528156 /nfs/dbraw/zinc/52/81/56/1289528156.db2.gz PPKHBBTUNYWKPG-UHFFFAOYSA-N -2 0 366.380 0.847 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])n1 ZINC001610637945 1289535881 /nfs/dbraw/zinc/53/58/81/1289535881.db2.gz UJELHCMSMQRBOY-UHFFFAOYSA-N -2 0 372.790 0.911 20 0 FCADRL NC(=O)c1csc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC001610642335 1289538505 /nfs/dbraw/zinc/53/85/05/1289538505.db2.gz QNNOITSJXDPYMS-UHFFFAOYSA-N -2 0 360.394 0.725 20 0 FCADRL O=C([O-])c1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)cc1 ZINC001610689170 1289553685 /nfs/dbraw/zinc/55/36/85/1289553685.db2.gz DSPMMGSIAAQESY-UHFFFAOYSA-N -2 0 350.327 0.321 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)c2noc3c2CCCCC3)CC1 ZINC001610701279 1289560819 /nfs/dbraw/zinc/56/08/19/1289560819.db2.gz FQRKKWQBQSSHEP-UHFFFAOYSA-N -2 0 371.415 0.715 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)C1CCOCC1 ZINC001610754637 1289578213 /nfs/dbraw/zinc/57/82/13/1289578213.db2.gz YHEZVJIPBFTCBT-JTQLQIEISA-N -2 0 363.413 0.995 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)C1CCOCC1 ZINC001610754638 1289578462 /nfs/dbraw/zinc/57/84/62/1289578462.db2.gz YHEZVJIPBFTCBT-SNVBAGLBSA-N -2 0 363.413 0.995 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)N2CCC[C@H](n3cc(C(=O)[O-])cn3)C2)CC1 ZINC001610755203 1289579317 /nfs/dbraw/zinc/57/93/17/1289579317.db2.gz DIADYCFUQPHOMB-LBPRGKRZSA-N -2 0 371.415 0.803 20 0 FCADRL O=C([O-])COc1ccc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)cc1 ZINC001610788244 1289593325 /nfs/dbraw/zinc/59/33/25/1289593325.db2.gz XKNILUMYEOCQPK-UHFFFAOYSA-N -2 0 373.383 0.310 20 0 FCADRL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NOC[C@@H]3CCOC3)cc2)[nH]1 ZINC001610791449 1289594619 /nfs/dbraw/zinc/59/46/19/1289594619.db2.gz DVMRMEGPMFJKHS-LLVKDONJSA-N -2 0 361.354 0.491 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)cc1 ZINC001610829791 1289602259 /nfs/dbraw/zinc/60/22/59/1289602259.db2.gz LZQBYVNMUXYAKU-OLZOCXBDSA-N -2 0 357.384 0.372 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2n[nH]nc2C(=O)N2CCCC2)s1 ZINC001610840592 1289605269 /nfs/dbraw/zinc/60/52/69/1289605269.db2.gz RQIRVEPUHZAARY-UHFFFAOYSA-N -2 0 371.400 0.601 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)N[C@@H](Cn2cc(Cl)cn2)C(=O)[O-])c1 ZINC001610849703 1289606303 /nfs/dbraw/zinc/60/63/03/1289606303.db2.gz DSVCEGRCLWIFJU-NSHDSACASA-N -2 0 373.774 0.666 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001644299342 1290952769 /nfs/dbraw/zinc/95/27/69/1290952769.db2.gz NAWAZTGDMJNKGI-SNVBAGLBSA-N -2 0 350.404 0.591 20 0 FCADRL O=C([N-][N-]S(=O)(=O)c1ccc2c(c1)CCO2)c1n[nH]c2c1CCCC2 ZINC000055290368 835990043 /nfs/dbraw/zinc/99/00/43/835990043.db2.gz YVPYKDNZZUAPBO-UHFFFAOYSA-N -2 0 362.411 0.847 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1C(=O)[O-] ZINC001116446370 846682276 /nfs/dbraw/zinc/68/22/76/846682276.db2.gz PXMJYEMCECYEQT-UHFFFAOYSA-N -2 0 350.356 0.804 20 0 FCADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CCC(=O)[O-])CN1CCOCC1 ZINC001119061961 847698446 /nfs/dbraw/zinc/69/84/46/847698446.db2.gz YSNMCGILHBIMPQ-NXEZZACHSA-N -2 0 362.370 0.422 20 0 FCADRL O=C(c1cccc(Br)c1[O-])N1CCOC[C@H]1c1nnn[n-]1 ZINC001150803769 849671039 /nfs/dbraw/zinc/67/10/39/849671039.db2.gz SAVZPORJJYVMOJ-VIFPVBQESA-N -2 0 354.164 0.882 20 0 FCADRL O=C(c1cccc(Br)c1[O-])N1CCOC[C@@H]1c1nnn[n-]1 ZINC001150803768 849671174 /nfs/dbraw/zinc/67/11/74/849671174.db2.gz SAVZPORJJYVMOJ-SECBINFHSA-N -2 0 354.164 0.882 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)N3CC[C@@H](c4nnn[n-]4)C3)cc2[n-]c1=S ZINC001153000867 849731162 /nfs/dbraw/zinc/73/11/62/849731162.db2.gz GMCHMYSCBBHJOQ-SECBINFHSA-N -2 0 357.399 0.365 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cn2c(cccc2Br)n1 ZINC001153124171 849735542 /nfs/dbraw/zinc/73/55/42/849735542.db2.gz YFVMBSYAFCAUNL-UHFFFAOYSA-N -2 0 364.092 0.936 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cnc2c(C(F)(F)F)cnn2c1 ZINC001156223583 849896585 /nfs/dbraw/zinc/89/65/85/849896585.db2.gz UIZDIRPRQWYLSH-UHFFFAOYSA-N -2 0 354.181 0.587 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1c[nH]c2ncc(Br)nc12 ZINC001156785358 849927982 /nfs/dbraw/zinc/92/79/82/849927982.db2.gz ODMSEZUBYDCPSX-UHFFFAOYSA-N -2 0 365.080 0.560 20 0 FCADRL COC(=O)c1cc2c(nc(Cl)nc2NCCOP(=O)([O-])[O-])[nH]1 ZINC001157791439 849996064 /nfs/dbraw/zinc/99/60/64/849996064.db2.gz NZHXMHZMEWTBFA-UHFFFAOYSA-N -2 0 350.655 0.871 20 0 FCADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC001160073219 850151705 /nfs/dbraw/zinc/15/17/05/850151705.db2.gz HVLDPRPTHFMGLE-UHFFFAOYSA-N -2 0 356.129 0.961 20 0 FCADRL Cn1cc(Nc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])ccc1=O ZINC001174360655 850740521 /nfs/dbraw/zinc/74/05/21/850740521.db2.gz NEFZVHOTJPSPBY-UHFFFAOYSA-N -2 0 360.369 0.622 20 0 FCADRL O=C([O-])C(F)(F)C(F)(F)C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001180175961 851017446 /nfs/dbraw/zinc/01/74/46/851017446.db2.gz GDPJGKCPQBJAON-UHFFFAOYSA-N -2 0 370.236 0.412 20 0 FCADRL CCOC(=O)C1([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])CC[NH+](C)CC1 ZINC001180176450 851017737 /nfs/dbraw/zinc/01/77/37/851017737.db2.gz ATORHYQKVPBNLQ-UHFFFAOYSA-N -2 0 358.288 0.485 20 0 FCADRL O=C(C[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1)NCS(=O)(=O)[O-] ZINC001181017961 851084547 /nfs/dbraw/zinc/08/45/47/851084547.db2.gz PAHBREKXOMZUNE-VIFPVBQESA-N -2 0 354.306 0.758 20 0 FCADRL O=C(C[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1)NCc1n[nH]c(=O)[n-]1 ZINC001181016369 851084980 /nfs/dbraw/zinc/08/49/80/851084980.db2.gz GAARMJJZKQVMDW-VIFPVBQESA-N -2 0 357.292 0.936 20 0 FCADRL COC(=O)c1cncc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)n1 ZINC001185269079 851348130 /nfs/dbraw/zinc/34/81/30/851348130.db2.gz GLAUMHWKHGTPLL-UHFFFAOYSA-N -2 0 367.339 0.771 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2c(C(N)=O)c(C)nn2C)cc1C(=O)[O-] ZINC001185270986 851348674 /nfs/dbraw/zinc/34/86/74/851348674.db2.gz JNRPUYNHQHXFEP-UHFFFAOYSA-N -2 0 368.371 0.335 20 0 FCADRL CC(=O)N/C(=C\c1cc(F)ccc1F)C(=O)NCCOP(=O)([O-])[O-] ZINC001185736061 851384320 /nfs/dbraw/zinc/38/43/20/851384320.db2.gz ZFIMZPZAICZJGK-GHXNOFRVSA-N -2 0 364.241 0.667 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(C(N)=O)nn1C ZINC001185877164 851393764 /nfs/dbraw/zinc/39/37/64/851393764.db2.gz BHLGXJLYCWCODV-UHFFFAOYSA-N -2 0 352.372 0.635 20 0 FCADRL O=P([O-])([O-])OCCNS(=O)(=O)c1c(Cl)nc2sccn21 ZINC001187158493 851521115 /nfs/dbraw/zinc/52/11/15/851521115.db2.gz BVIIDPQVYZMNKI-UHFFFAOYSA-N -2 0 361.725 0.437 20 0 FCADRL NC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccn1 ZINC001187553259 851577078 /nfs/dbraw/zinc/57/70/78/851577078.db2.gz LOPNVSGILKUKEI-UHFFFAOYSA-N -2 0 355.759 0.755 20 0 FCADRL NC(=O)c1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC001188279564 851664319 /nfs/dbraw/zinc/66/43/19/851664319.db2.gz HNETWUDPAPQRGT-UHFFFAOYSA-N -2 0 356.747 0.728 20 0 FCADRL CCOC(=O)[C@H]1CN(C(=O)c2ccccc2OP(=O)([O-])[O-])CCO1 ZINC001189886233 851836970 /nfs/dbraw/zinc/83/69/70/851836970.db2.gz BWCUWHHXXRABIN-GFCCVEGCSA-N -2 0 359.271 0.562 20 0 FCADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1Cc2ccnn2CC[C@@H]1CO ZINC001189886448 851837051 /nfs/dbraw/zinc/83/70/51/851837051.db2.gz FZKHXFMTSXYAAQ-GFCCVEGCSA-N -2 0 367.298 0.762 20 0 FCADRL O=C([O-])c1cc(C(=O)Nc2ccn3cnnc3c2)cc(S(=O)(=O)[O-])c1 ZINC001189914301 851842205 /nfs/dbraw/zinc/84/22/05/851842205.db2.gz IELWBRLEZJWHPD-UHFFFAOYSA-N -2 0 362.323 0.927 20 0 FCADRL COc1ncc(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)cn1 ZINC001189914056 851842217 /nfs/dbraw/zinc/84/22/17/851842217.db2.gz CORYUIMOODRJSN-UHFFFAOYSA-N -2 0 353.312 0.682 20 0 FCADRL Cc1cc(=O)c(N)c(C)n1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189914334 851842326 /nfs/dbraw/zinc/84/23/26/851842326.db2.gz INOIMDYPTATCBR-UHFFFAOYSA-N -2 0 366.351 0.681 20 0 FCADRL O=C([O-])c1cc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)cc(S(=O)(=O)[O-])c1 ZINC001189924415 851844233 /nfs/dbraw/zinc/84/42/33/851844233.db2.gz OETOJDWUUARGDZ-LLVKDONJSA-N -2 0 368.367 0.078 20 0 FCADRL CCOC(=O)C(C)(C)NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189933850 851845223 /nfs/dbraw/zinc/84/52/23/851845223.db2.gz NPDUUONDAFRVTR-UHFFFAOYSA-N -2 0 359.356 0.703 20 0 FCADRL Cn1cc(CCNC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)cn1 ZINC001189932326 851845601 /nfs/dbraw/zinc/84/56/01/851845601.db2.gz APNBABGAPKCVFC-UHFFFAOYSA-N -2 0 353.356 0.338 20 0 FCADRL Cc1nn(C)c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1C(N)=O ZINC001192106640 852182843 /nfs/dbraw/zinc/18/28/43/852182843.db2.gz LYSAQWJHUXVBGI-UHFFFAOYSA-N -2 0 366.399 0.645 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1C(N)=O ZINC001192106591 852183203 /nfs/dbraw/zinc/18/32/03/852183203.db2.gz JUQLGCGIFFKTMZ-UHFFFAOYSA-N -2 0 352.372 0.337 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]c2oncc2C(N)=O)cc1C(=O)[O-] ZINC001192614171 852264332 /nfs/dbraw/zinc/26/43/32/852264332.db2.gz DMMRSWJYYUISLQ-UHFFFAOYSA-N -2 0 355.328 0.671 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@@H]2SC(=O)[N-]C2=O)c(Cl)cc1F ZINC001194021312 852524870 /nfs/dbraw/zinc/52/48/70/852524870.db2.gz DQHSBJWJBNFAFA-MRVPVSSYSA-N -2 0 368.751 0.765 20 0 FCADRL CCOC(=O)CS(=O)(=O)[N-]c1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001195973043 852858593 /nfs/dbraw/zinc/85/85/93/852858593.db2.gz ICUYJOQICSMEKG-UHFFFAOYSA-N -2 0 357.793 0.892 20 0 FCADRL COCCNC(=S)Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001197859272 853177047 /nfs/dbraw/zinc/17/70/47/853177047.db2.gz OXEQJDNDGNQXGC-UHFFFAOYSA-N -2 0 370.430 0.113 20 0 FCADRL O=C1[N-]S(=O)(=O)c2cc([N-]S(=O)(=O)c3cccc(Cl)n3)ccc21 ZINC001198233055 853235816 /nfs/dbraw/zinc/23/58/16/853235816.db2.gz HBNHURYMEFLQAR-UHFFFAOYSA-N -2 0 373.799 0.968 20 0 FCADRL COc1ccccc1Cn1cc(C(=O)NCCOP(=O)([O-])[O-])cn1 ZINC001199562628 853442936 /nfs/dbraw/zinc/44/29/36/853442936.db2.gz FRTHYFHQICZUMH-UHFFFAOYSA-N -2 0 355.287 0.779 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cccnc1I ZINC001199766617 853454228 /nfs/dbraw/zinc/45/42/28/853454228.db2.gz OFQPNYNABZKZBP-UHFFFAOYSA-N -2 0 372.055 0.525 20 0 FCADRL COc1ccc2c(COC(=O)[C@H](O)COP(=O)([O-])[O-])cc(=O)oc2c1 ZINC001205835348 853638704 /nfs/dbraw/zinc/63/87/04/853638704.db2.gz UNRJNELCVHGTLK-LLVKDONJSA-N -2 0 374.238 0.315 20 0 FCADRL O=C([O-])C[C@H](C(=O)OCc1ccc(-c2csnn2)cc1)[C@H](O)C(=O)[O-] ZINC001206468549 853691169 /nfs/dbraw/zinc/69/11/69/853691169.db2.gz JSTWHSOPURALCE-GWCFXTLKSA-N -2 0 366.351 0.785 20 0 FCADRL Cc1noc(C(Cl)(Cl)OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001223699405 856937696 /nfs/dbraw/zinc/93/76/96/856937696.db2.gz PTBYIJFFTYJKTR-INEUFUBQSA-N -2 0 357.102 0.046 20 0 FCADRL CC(C)(C)OC(=O)NCCCCOC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001224516332 856986056 /nfs/dbraw/zinc/98/60/56/856986056.db2.gz XMCKSQMNSYNPLK-KOLCDFICSA-N -2 0 363.363 0.371 20 0 FCADRL CCOP(=O)(CCCOC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])OCC ZINC001224761586 857000831 /nfs/dbraw/zinc/00/08/31/857000831.db2.gz BDRXNGNOVKUGEH-GXSJLCMTSA-N -2 0 370.291 0.722 20 0 FCADRL C[C@H](COCc1ccccc1)COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225002456 857013439 /nfs/dbraw/zinc/01/34/39/857013439.db2.gz DGBRJIHHMAYFDF-OSAQELSMSA-N -2 0 354.355 0.919 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@@H]1COC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001225052039 857015735 /nfs/dbraw/zinc/01/57/35/857015735.db2.gz CLMPFBIADDBZDU-RKDXNWHRSA-N -2 0 355.280 0.009 20 0 FCADRL Cc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ncc1Br ZINC001225779074 857059008 /nfs/dbraw/zinc/05/90/08/857059008.db2.gz MOORZIPRWRHRLO-WKEGUHRASA-N -2 0 362.132 0.594 20 0 FCADRL O=C(Oc1cc(C(F)(F)F)nc(=S)[nH]1)[C@H](O)COP(=O)([O-])[O-] ZINC001225851523 857066430 /nfs/dbraw/zinc/06/64/30/857066430.db2.gz ZFOMOJVFCXVRID-GSVOUGTGSA-N -2 0 364.194 0.160 20 0 FCADRL Cc1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(=O)n1CC1CC1 ZINC001225867346 857067592 /nfs/dbraw/zinc/06/75/92/857067592.db2.gz MRXHZBPIQNLBPE-RISCZKNCSA-N -2 0 353.327 0.009 20 0 FCADRL CC(C)OC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001226072598 857083443 /nfs/dbraw/zinc/08/34/43/857083443.db2.gz JDGJEDPFXWANRK-AAEUAGOBSA-N -2 0 354.311 0.694 20 0 FCADRL O=C([O-])C[C@@H](O)C(=O)Oc1[n-]c(=O)nc2ccc(Br)cc21 ZINC001226291978 857096176 /nfs/dbraw/zinc/09/61/76/857096176.db2.gz INDHGUYTYCOJSW-MRVPVSSYSA-N -2 0 357.116 0.839 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc(=O)cc(C(F)(F)F)[n-]1)[C@H](O)C(=O)[O-] ZINC001227584433 857165942 /nfs/dbraw/zinc/16/59/42/857165942.db2.gz RTPTWXXRBSLFOL-CDUCUWFYSA-N -3 0 353.205 0.248 20 0 FCADRL CCOC(=O)c1oc(C(=O)OCC)c(OC(=O)[C@H](O)CC(=O)[O-])c1[O-] ZINC001227641109 857168333 /nfs/dbraw/zinc/16/83/33/857168333.db2.gz PTOYSKHLTVPDTH-ZCFIWIBFSA-N -2 0 360.271 0.080 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1[nH]c(=S)nc2cnccc21)[C@@H](O)C(=O)[O-] ZINC001227886341 857182113 /nfs/dbraw/zinc/18/21/13/857182113.db2.gz SWUAAHDZAAXULO-IMTBSYHQSA-N -2 0 353.312 0.129 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1nc(Cl)nc2ccccc21)[C@@H](O)C(=O)[O-] ZINC001228033891 857189537 /nfs/dbraw/zinc/18/95/37/857189537.db2.gz JUXRKCVXAFFDTG-OIBJUYFYSA-N -2 0 354.702 0.725 20 0 FCADRL Cc1cc(Br)cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001228058401 857190666 /nfs/dbraw/zinc/19/06/66/857190666.db2.gz JBXSTBBBUUGRTL-OIBJUYFYSA-N -2 0 362.132 0.594 20 0 FCADRL COc1cc(CC(C)=O)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228247814 857198441 /nfs/dbraw/zinc/19/84/41/857198441.db2.gz BNGHCOTVCVGPIH-IINYFYTJSA-N -2 0 354.311 0.269 20 0 FCADRL CCOC(=O)CCc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1 ZINC001228414104 857208384 /nfs/dbraw/zinc/20/83/84/857208384.db2.gz XPYMPOQNCDJRMZ-GFCCVEGCSA-N -2 0 362.271 0.558 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc(Br)cnc1F)[C@@H](O)C(=O)[O-] ZINC001228550942 857215493 /nfs/dbraw/zinc/21/54/93/857215493.db2.gz JDYJWTYLXWGEAZ-YLWLKBPMSA-N -2 0 366.095 0.425 20 0 FCADRL COC(=O)c1c(OC(=O)[C@H](O)COP(=O)([O-])[O-])ccc2c1CCCC2 ZINC001228726180 857226160 /nfs/dbraw/zinc/22/61/60/857226160.db2.gz KRNRUNJAXQIKHD-LLVKDONJSA-N -2 0 374.282 0.728 20 0 FCADRL O=C(Oc1ncnc2c3ccccc3[nH]c21)[C@H](O)COP(=O)([O-])[O-] ZINC001228782216 857228269 /nfs/dbraw/zinc/22/82/69/857228269.db2.gz BHWSMHLYTPNTAP-SECBINFHSA-N -2 0 353.227 0.487 20 0 FCADRL CSc1nc2c(c(OC(=O)[C@H](O)COP(=O)([O-])[O-])n1)CCCC2 ZINC001229163203 857254758 /nfs/dbraw/zinc/25/47/58/857254758.db2.gz YACUBGNYYOFXJZ-SECBINFHSA-N -2 0 364.316 0.453 20 0 FCADRL Cc1ccnc(Br)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001229207707 857259159 /nfs/dbraw/zinc/25/91/59/857259159.db2.gz PJTOZAMIKQQPKI-POYBYMJQSA-N -2 0 362.132 0.594 20 0 FCADRL CCOC(=O)c1cc(Cl)ccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001229562335 857275224 /nfs/dbraw/zinc/27/52/24/857275224.db2.gz GKULIHOODVFVFU-SKDRFNHKSA-N -2 0 374.729 0.959 20 0 FCADRL Cc1ncc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1Br ZINC001229890800 857291171 /nfs/dbraw/zinc/29/11/71/857291171.db2.gz MHAKLTBKKAYYIZ-XCBNKYQSSA-N -2 0 362.132 0.594 20 0 FCADRL C[C@@H]1Cc2cccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2C(=O)O1 ZINC001229977861 857295591 /nfs/dbraw/zinc/29/55/91/857295591.db2.gz XTPPMEWXALEBKX-BZTNIEFMSA-N -2 0 352.295 0.230 20 0 FCADRL COC(=O)c1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(C)cc1F ZINC001230040184 857298599 /nfs/dbraw/zinc/29/85/99/857298599.db2.gz KKQBZLLLBPDMBR-QPUJVOFHSA-N -2 0 358.274 0.363 20 0 FCADRL O=S(=O)([O-])c1cc(O)c(OC[C@H]2CCCCO2)c(S(=O)(=O)[O-])c1 ZINC001230144453 857307391 /nfs/dbraw/zinc/30/73/91/857307391.db2.gz NWXYQURBHWTPHU-MRVPVSSYSA-N -2 0 368.385 0.834 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2cccc(Cl)c21)[C@H](O)C(=O)[O-] ZINC001230884244 857351139 /nfs/dbraw/zinc/35/11/39/857351139.db2.gz DYTVUKLQFORXAF-RRAGMBSWSA-N -3 0 370.701 0.431 20 0 FCADRL CCOC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(Cl)c1 ZINC001233581779 857387150 /nfs/dbraw/zinc/38/71/50/857387150.db2.gz CKSHTUIMYPNDDH-PELKAZGASA-N -2 0 374.729 0.959 20 0 FCADRL CC(=O)N1CCc2cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccc21 ZINC001233645195 857387996 /nfs/dbraw/zinc/38/79/96/857387996.db2.gz GTLLGBXVRXJRFY-SMDDNHRTSA-N -2 0 351.311 0.037 20 0 FCADRL COC(=O)c1c(F)cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1F ZINC001233913231 857391732 /nfs/dbraw/zinc/39/17/32/857391732.db2.gz MCIXDVCXGIUMBU-KBUNVGBDSA-N -2 0 362.237 0.193 20 0 FCADRL COc1cc(Br)cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1 ZINC001234019358 857395181 /nfs/dbraw/zinc/39/51/81/857395181.db2.gz QXCDMQOGXFRWSM-SECBINFHSA-N -2 0 371.076 0.833 20 0 FCADRL COC(=O)c1c(F)ccc(F)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234306510 857401072 /nfs/dbraw/zinc/40/10/72/857401072.db2.gz XLAXKANELLODBA-GPXNAGAYSA-N -2 0 362.237 0.193 20 0 FCADRL COc1cc(F)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1Cl ZINC001234321444 857401136 /nfs/dbraw/zinc/40/11/36/857401136.db2.gz NEANSOJDUHVWRM-GCXOYZPQSA-N -2 0 350.682 0.930 20 0 FCADRL COC(=O)[C@H](C)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234820690 857412302 /nfs/dbraw/zinc/41/23/02/857412302.db2.gz NCOKWWKZVNTLBC-ZDSQKVDBSA-N -2 0 354.311 0.405 20 0 FCADRL COc1cc(OC)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1Cl ZINC001234944027 857415668 /nfs/dbraw/zinc/41/56/68/857415668.db2.gz VTHRRUXWGQAXQD-INWYIAFRSA-N -2 0 362.718 0.799 20 0 FCADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(Nc2ccc3nncn3c2)c1 ZINC001250007948 857654169 /nfs/dbraw/zinc/65/41/69/857654169.db2.gz ADLYRDOJRCGMAH-UHFFFAOYSA-N -2 0 370.368 0.966 20 0 FCADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(NCC2(O)CCOCC2)c1 ZINC001252966947 857852676 /nfs/dbraw/zinc/85/26/76/857852676.db2.gz KAWQVTHIMKEPPX-UHFFFAOYSA-N -2 0 367.401 0.133 20 0 FCADRL NC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccnc2)cc1 ZINC001259608324 858275881 /nfs/dbraw/zinc/27/58/81/858275881.db2.gz DUYJXVIQPXWAEY-UHFFFAOYSA-N -2 0 356.385 0.239 20 0 FCADRL COC(=O)c1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cn1 ZINC001260209464 858354394 /nfs/dbraw/zinc/35/43/94/858354394.db2.gz GTNUJBQQEFLPAU-UHFFFAOYSA-N -2 0 355.303 0.901 20 0 FCADRL CCOC(=O)c1nnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)o1 ZINC001260217321 858355783 /nfs/dbraw/zinc/35/57/83/858355783.db2.gz GLVLTXQIYXKJJC-UHFFFAOYSA-N -2 0 373.318 0.562 20 0 FCADRL CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)c1cnccn1 ZINC001260230948 858358517 /nfs/dbraw/zinc/35/85/17/858358517.db2.gz NMMWBEABGZPRLL-ZDUSSCGKSA-N -2 0 365.367 0.758 20 0 FCADRL COC(=O)c1ccnnc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260393133 858365258 /nfs/dbraw/zinc/36/52/58/858365258.db2.gz AEAQVTPVNYXIBH-UHFFFAOYSA-N -2 0 353.312 0.468 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c(C(N)=O)nn1C ZINC001260393800 858366501 /nfs/dbraw/zinc/36/65/01/858366501.db2.gz WGGBTPRMHDJHTE-UHFFFAOYSA-N -2 0 354.344 0.032 20 0 FCADRL CS(=O)(=O)CS(=O)(=O)[N-]c1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001260591915 858393945 /nfs/dbraw/zinc/39/39/45/858393945.db2.gz RXVSVZVHGMDGNP-UHFFFAOYSA-N -2 0 363.822 0.331 20 0 FCADRL CC[C@@H](C)S(=O)(=O)Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001260741012 858420896 /nfs/dbraw/zinc/42/08/96/858420896.db2.gz XBBWJMGHOAPWFP-SSDOTTSWSA-N -2 0 373.430 0.720 20 0 FCADRL O=C([O-])CCCC(=O)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC001351715987 866951611 /nfs/dbraw/zinc/95/16/11/866951611.db2.gz GSLUEWHZEQYOAY-UHFFFAOYSA-N -2 0 351.178 0.904 20 0 FCADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001332148571 873392705 /nfs/dbraw/zinc/39/27/05/873392705.db2.gz MSZCRZGFZQHIDA-AEJSXWLSSA-N -2 0 352.309 0.647 20 0 FCADRL CN(CC(=O)OC(C)(C)C)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001570996338 951020147 /nfs/dbraw/zinc/02/01/47/951020147.db2.gz TXJRUDNXAYKDTF-UHFFFAOYSA-N -2 0 360.378 0.389 20 0 FCADRL O=C([O-])CN1CCCC[C@@H](NC(=O)c2nn(-c3ccccc3)cc2[O-])C1=O ZINC001595096399 951818108 /nfs/dbraw/zinc/81/81/08/951818108.db2.gz NXXAUVXHYIHDEC-CYBMUJFWSA-N -2 0 372.381 0.773 20 0 FCADRL O=C([O-])[C@H]1CC(C(=O)N2CC[C@H](c3nnn[n-]3)C2)=NN1c1ccccc1 ZINC001594902347 954645639 /nfs/dbraw/zinc/64/56/39/954645639.db2.gz YTFYHHKACIGMDF-GXFFZTMASA-N -2 0 355.358 0.235 20 0 FCADRL COC(=O)CC[C@H]([N-]S(=O)(=O)c1onc(C2CC2)c1Cl)C(=O)[O-] ZINC001593849609 955443171 /nfs/dbraw/zinc/44/31/71/955443171.db2.gz BQFDOUANKRXBNQ-ZETCQYMHSA-N -2 0 366.779 0.890 20 0 FCADRL COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CC(C(=O)[O-])C3)cc2)[n-]1 ZINC001593854836 955488350 /nfs/dbraw/zinc/48/83/50/955488350.db2.gz MLNNMJKHSHKGEQ-UHFFFAOYSA-N -2 0 359.338 0.038 20 0 FCADRL Cc1ncc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c(C)n1 ZINC000852959273 955897049 /nfs/dbraw/zinc/89/70/49/955897049.db2.gz ZKTUWDZDVUMVAT-MNOVXSKESA-N -2 0 374.319 0.830 20 0 FCADRL Cc1noc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)n1 ZINC000055329672 957545806 /nfs/dbraw/zinc/54/58/06/957545806.db2.gz URWFTQIDRVDMOU-UHFFFAOYSA-N -2 0 366.149 0.910 20 0 FCADRL COc1cc(C)c(S(=O)(=O)[N-]C(=O)c2cnc(C(=O)[O-])cn2)cc1C ZINC001594054517 958018017 /nfs/dbraw/zinc/01/80/17/958018017.db2.gz RGYCXHWVIOIBJH-UHFFFAOYSA-N -2 0 365.367 0.919 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cn1 ZINC001594169469 958973164 /nfs/dbraw/zinc/97/31/64/958973164.db2.gz OIDDFWIYYOCBGM-LBPRGKRZSA-N -2 0 364.383 0.274 20 0 FCADRL C[C@@](O)(CNC(=O)c1cccc(I)c1[O-])C(=O)[O-] ZINC001603261578 972446430 /nfs/dbraw/zinc/44/64/30/972446430.db2.gz IHDRWCFYTQTJEY-LLVKDONJSA-N -2 0 365.123 0.562 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cn1 ZINC001604939270 972506045 /nfs/dbraw/zinc/50/60/45/972506045.db2.gz PSMSZXIXHJTFMW-UHFFFAOYSA-N -2 0 370.408 0.913 20 0 FCADRL CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)[N-]OC2CCOCC2)C1 ZINC001588699545 960798441 /nfs/dbraw/zinc/79/84/41/960798441.db2.gz PCECXHSKLPFNPL-INIZCTEOSA-N -2 0 374.390 0.304 20 0 FCADRL Cc1ncc(CC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])o1 ZINC001574426444 961366095 /nfs/dbraw/zinc/36/60/95/961366095.db2.gz GWOVSHHJAPSHSN-KOLCDFICSA-N -2 0 363.292 0.648 20 0 FCADRL CCn1ncc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1 ZINC001573972229 961743686 /nfs/dbraw/zinc/74/36/86/961743686.db2.gz OSAYIWWWDSQRHC-VXNVDRBHSA-N -2 0 363.296 0.034 20 0 FCADRL NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000314456917 963755729 /nfs/dbraw/zinc/75/57/29/963755729.db2.gz KJEPYWZBMXFBDB-UHFFFAOYSA-N -2 0 362.410 0.895 20 0 FCADRL O=C([O-])[C@H]1CS(=O)(=O)CCN1Cc1ncc(Br)cc1[O-] ZINC001606058006 973177761 /nfs/dbraw/zinc/17/77/61/973177761.db2.gz YKMARVSRBAHVMG-SECBINFHSA-N -2 0 365.205 0.233 20 0 FCADRL COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)CCO1 ZINC001604558921 973612082 /nfs/dbraw/zinc/61/20/82/973612082.db2.gz ZQIFXFSNWBWQDW-ZANVPECISA-N -2 0 370.324 0.018 20 0 FCADRL Cn1ccnc1[C@@H]([N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-])C(F)(F)F ZINC001605511912 973692487 /nfs/dbraw/zinc/69/24/87/973692487.db2.gz IEXMGBKODBILQT-JGVFFNPUSA-N -2 0 356.326 0.407 20 0 FCADRL COCc1cccc(CS(=O)(=O)[N-]C(=O)c2cnc(C(=O)[O-])cn2)c1 ZINC001604642128 973778088 /nfs/dbraw/zinc/77/80/88/973778088.db2.gz PYBPVGATUMXWTC-UHFFFAOYSA-N -2 0 365.367 0.581 20 0 FCADRL O=C([O-])c1cnc(C(=O)[N-]S(=O)(=O)c2cccc3ncccc32)cn1 ZINC001606537280 974060699 /nfs/dbraw/zinc/06/06/99/974060699.db2.gz HUAZPATXPMCZPT-UHFFFAOYSA-N -2 0 358.335 0.842 20 0 FCADRL CC(C)OC[C@H](NS(=O)(=O)c1ccc(CC(=O)[O-])s1)C(=O)[O-] ZINC001591730753 975699356 /nfs/dbraw/zinc/69/93/56/975699356.db2.gz KDUUCINAAUMUSZ-VIFPVBQESA-N -2 0 351.402 0.532 20 0 FCADRL CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])nn1C ZINC001591930574 976421903 /nfs/dbraw/zinc/42/19/03/976421903.db2.gz OCPROEFWMDBUKT-UHFFFAOYSA-N -2 0 358.401 0.817 20 0 FCADRL CC(C)c1ncncc1C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001592039912 976763611 /nfs/dbraw/zinc/76/36/11/976763611.db2.gz SDULDJRWPUQSFY-UHFFFAOYSA-N -2 0 356.385 0.873 20 0 FCADRL CC(C)n1ncc2c1C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)CC2 ZINC001592163038 977048040 /nfs/dbraw/zinc/04/80/40/977048040.db2.gz JCMPBGGGNHMGTF-JTQLQIEISA-N -2 0 354.388 0.986 20 0 FCADRL C[C@@](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)(C(=O)[O-])C1CC1 ZINC001593030687 980305910 /nfs/dbraw/zinc/30/59/10/980305910.db2.gz NBMMHZPUWLCKQK-AWEZNQCLSA-N -2 0 362.354 0.613 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)C1=O ZINC001595371739 980854842 /nfs/dbraw/zinc/85/48/42/980854842.db2.gz MINQZDMUTMASBE-AJHXJQRKSA-N -2 0 367.383 0.698 20 0 FCADRL CCCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])C1 ZINC001595523787 981350106 /nfs/dbraw/zinc/35/01/06/981350106.db2.gz SKFGQTKZPJHRNM-UTUOFQBUSA-N -2 0 362.448 0.580 20 0 FCADRL CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F)C(=O)[O-] ZINC001595608608 981612519 /nfs/dbraw/zinc/61/25/19/981612519.db2.gz KYDNHZNPSPKQLQ-BXKDBHETSA-N -2 0 363.363 0.725 20 0 FCADRL CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001594982752 982782373 /nfs/dbraw/zinc/78/23/73/982782373.db2.gz UAEBZBNTVMLPQB-SNVBAGLBSA-N -2 0 372.399 0.375 20 0 FCADRL CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595922078 983036425 /nfs/dbraw/zinc/03/64/25/983036425.db2.gz GDEJAESJHXMHRN-UHFFFAOYSA-N -2 0 360.388 0.788 20 0 FCADRL CCN(CC(=O)[O-])S(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC001596228657 983620419 /nfs/dbraw/zinc/62/04/19/983620419.db2.gz PKOGSLZGSWSXBD-UHFFFAOYSA-N -2 0 365.385 0.637 20 0 FCADRL C/C(=C/c1ccccn1)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001589005493 984964718 /nfs/dbraw/zinc/96/47/18/984964718.db2.gz HAUWQSXMISAKCP-KHPPLWFESA-N -2 0 353.400 0.643 20 0 FCADRL C/C(=C/c1cccnc1)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001589006018 984969363 /nfs/dbraw/zinc/96/93/63/984969363.db2.gz RGMFNZTXXWAXAT-LUAWRHEFSA-N -2 0 353.400 0.643 20 0 FCADRL CC(=O)N1Cc2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])n(C)n3)cc2C1 ZINC001589096561 985291715 /nfs/dbraw/zinc/29/17/15/985291715.db2.gz ARBXPWFDNAUEHD-UHFFFAOYSA-N -2 0 364.383 0.781 20 0 FCADRL CC(=O)NC[C@H](CC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])CC(C)C ZINC001589143883 985457752 /nfs/dbraw/zinc/45/77/52/985457752.db2.gz YRDNLDCDGHIXBS-WZRBSPASSA-N -2 0 364.464 0.730 20 0 FCADRL Cc1[nH]c(C([O-])=CS(=O)(=O)[C@@H](C)c2nncn2C)c(C)c1C(=O)[O-] ZINC001599948155 985563352 /nfs/dbraw/zinc/56/33/52/985563352.db2.gz UZBDCFARBVYRQP-VIFPVBQESA-N -2 0 354.388 0.817 20 0 FCADRL CC(=O)Nc1ccc(CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc1 ZINC001589191074 985597020 /nfs/dbraw/zinc/59/70/20/985597020.db2.gz YTACYFSBFGWPJG-UHFFFAOYSA-N -2 0 356.400 0.744 20 0 FCADRL CC(=O)[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])C1(C)C ZINC001589230912 985781728 /nfs/dbraw/zinc/78/17/28/985781728.db2.gz MDOONXRLSOGNHM-JGVFFNPUSA-N -2 0 360.413 0.898 20 0 FCADRL CCOCCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001596924424 986002087 /nfs/dbraw/zinc/00/20/87/986002087.db2.gz YNVUSJYOTVZBIU-SNVBAGLBSA-N -2 0 360.388 0.528 20 0 FCADRL CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001596967741 986178607 /nfs/dbraw/zinc/17/86/07/986178607.db2.gz DGPTUXWPYRFLDU-UHFFFAOYSA-N -2 0 367.358 0.294 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cnn1-c1ccccn1 ZINC001599982336 986181145 /nfs/dbraw/zinc/18/11/45/986181145.db2.gz PSCCRACQBRVHGO-UHFFFAOYSA-N -2 0 366.399 0.746 20 0 FCADRL CCOc1cc(C(=O)NC2(c3nnn[n-]3)CCC2)ccc1OCC(=O)[O-] ZINC001597005035 986318791 /nfs/dbraw/zinc/31/87/91/986318791.db2.gz CQHKOFBHRMLZLT-UHFFFAOYSA-N -2 0 361.358 0.871 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2csnc2C(=O)[O-])[C@H](C(=O)[O-])[C@@H](C)O1 ZINC001594561964 986326276 /nfs/dbraw/zinc/32/62/76/986326276.db2.gz OHJKTUSLPNQZCH-KCRUCZTKSA-N -2 0 350.374 0.092 20 0 FCADRL C[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])n1nnnc1C(C)(C)C ZINC001589423637 986681558 /nfs/dbraw/zinc/68/15/58/986681558.db2.gz OLODTNICUQSMEZ-QMMMGPOBSA-N -2 0 361.424 0.088 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)C1CN(C(=O)C2CCCCC2)C1 ZINC001589451828 986845569 /nfs/dbraw/zinc/84/55/69/986845569.db2.gz JHSPSHJKOJFJOT-WDEREUQCSA-N -2 0 374.459 0.580 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1ccc(-n2cccn2)cc1 ZINC001589452652 986849712 /nfs/dbraw/zinc/84/97/12/986849712.db2.gz LZXWBIAFZRCJGN-VXGBXAGGSA-N -2 0 365.411 0.970 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1ccc2ccccc2c1=O ZINC001589453168 986857551 /nfs/dbraw/zinc/85/75/51/986857551.db2.gz OMYXOAHUASMERB-WDEREUQCSA-N -2 0 366.395 0.557 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cc[nH]c2=O)cc1 ZINC001589453200 986858684 /nfs/dbraw/zinc/85/86/84/986858684.db2.gz OVGCCZYRPRBWOY-ZJUUUORDSA-N -2 0 367.383 0.747 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cncc(N2CCCC2=O)c1 ZINC001589453611 986864149 /nfs/dbraw/zinc/86/41/49/986864149.db2.gz HAYAPSSQNVCINX-VHSXEESVSA-N -2 0 369.399 0.377 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CCNC(=O)C1CCCCC1 ZINC001589454213 986875653 /nfs/dbraw/zinc/87/56/53/986875653.db2.gz USMROKBHDIOXIZ-GHMZBOCLSA-N -2 0 362.448 0.628 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1c(C(F)(F)F)cnn1C ZINC001589454426 986879228 /nfs/dbraw/zinc/87/92/28/986879228.db2.gz VUYLPZVXRXSTAV-PHDIDXHHSA-N -2 0 357.310 0.608 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ncn(-c2ccccc2)n1 ZINC001589455033 986889154 /nfs/dbraw/zinc/88/91/54/986889154.db2.gz UTYJDWQVGZJEOH-NXEZZACHSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)CC1CCCCC1 ZINC001589455067 986890181 /nfs/dbraw/zinc/89/01/81/986890181.db2.gz ZFPQWFSSSVHOPV-QWRGUYRKSA-N -2 0 362.448 0.628 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC001589492078 987062482 /nfs/dbraw/zinc/06/24/82/987062482.db2.gz QXVZVRPPTAVPHF-GXFFZTMASA-N -2 0 357.384 0.777 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC001589492338 987062964 /nfs/dbraw/zinc/06/29/64/987062964.db2.gz SOLBCADZSCEQTE-GWCFXTLKSA-N -2 0 357.384 0.777 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001589492648 987064935 /nfs/dbraw/zinc/06/49/35/987064935.db2.gz XDEJYGVYFNEMAQ-BDAKNGLRSA-N -2 0 350.393 0.305 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC001589494777 987072377 /nfs/dbraw/zinc/07/23/77/987072377.db2.gz LMJPZJUIRCDSFV-CMPLNLGQSA-N -2 0 354.384 0.210 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC001589496444 987078823 /nfs/dbraw/zinc/07/88/23/987078823.db2.gz WMDROWGAUKDSOB-RKDXNWHRSA-N -2 0 374.802 0.612 20 0 FCADRL CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)c1 ZINC001597243644 987218763 /nfs/dbraw/zinc/21/87/63/987218763.db2.gz LDQNOAQPPRNRPG-UHFFFAOYSA-N -2 0 371.396 0.769 20 0 FCADRL CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC001597288699 987372619 /nfs/dbraw/zinc/37/26/19/987372619.db2.gz NLVVUEOIMLBHSH-OPRDCNLKSA-N -2 0 366.436 0.845 20 0 FCADRL CC(C)(C)OC(=O)COc1ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1 ZINC001589898896 988597266 /nfs/dbraw/zinc/59/72/66/988597266.db2.gz VMWSMTDEJIDBFY-UHFFFAOYSA-N -2 0 373.383 0.551 20 0 FCADRL C[C@@H]1CN(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)C[C@@H](C(=O)[O-])O1 ZINC001599856362 989094402 /nfs/dbraw/zinc/09/44/02/989094402.db2.gz BIOUQHRYNKICLU-BTJLNZGRSA-N -2 0 350.371 0.912 20 0 FCADRL CCn1ncc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])c1C(F)(F)F ZINC001597958880 989979082 /nfs/dbraw/zinc/97/90/82/989979082.db2.gz ZDPPGUCSQMEEDX-UHFFFAOYSA-N -2 0 352.269 0.773 20 0 FCADRL CCn1ncc2cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])c(C)nc21 ZINC001597960122 989982160 /nfs/dbraw/zinc/98/21/60/989982160.db2.gz KZFQKJKGEWACJZ-WCBMZHEXSA-N -2 0 368.415 0.928 20 0 FCADRL CN(C)C(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001598110201 990502767 /nfs/dbraw/zinc/50/27/67/990502767.db2.gz PVVPHPQFNCTZMR-LLVKDONJSA-N -2 0 367.383 0.351 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1 ZINC001599683820 990953691 /nfs/dbraw/zinc/95/36/91/990953691.db2.gz ZOJUQPZPGRVUFS-CANCMXDXSA-N -2 0 368.455 0.810 20 0 FCADRL CC(C)[C@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC001590957350 991039640 /nfs/dbraw/zinc/03/96/40/991039640.db2.gz NLRFFVIYQJEATD-GFCCVEGCSA-N -2 0 367.387 0.068 20 0 FCADRL CC(C)[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C(=O)OC(C)(C)C ZINC001590957704 991042203 /nfs/dbraw/zinc/04/22/03/991042203.db2.gz PLHAUQLYXHSSFB-LLVKDONJSA-N -2 0 351.421 0.911 20 0 FCADRL CC(C)[C@H](CNC(=O)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)C(=O)[O-] ZINC001590982388 991149719 /nfs/dbraw/zinc/14/97/19/991149719.db2.gz MHMFTXFEPZYTSG-AWEZNQCLSA-N -2 0 362.382 0.743 20 0 FCADRL COc1cc[nH]c(=NNS(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)n1 ZINC001599722815 991568609 /nfs/dbraw/zinc/56/86/09/991568609.db2.gz UHQVDBXBJIPOBQ-UHFFFAOYSA-N -2 0 364.383 0.907 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001598471332 992030753 /nfs/dbraw/zinc/03/07/53/992030753.db2.gz IOOJTYIEARHMSY-OLZOCXBDSA-N -2 0 356.400 0.438 20 0 FCADRL COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)Cn2cc(C(=O)[O-])cn2)c1 ZINC001599606762 993895981 /nfs/dbraw/zinc/89/59/81/993895981.db2.gz NGVGDDQOCXZLCD-UHFFFAOYSA-N -2 0 369.355 0.104 20 0 FCADRL COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)c(CC(=O)[O-])c1 ZINC001599610622 993947445 /nfs/dbraw/zinc/94/74/45/993947445.db2.gz CIVOHJKVDCXOKV-SNVBAGLBSA-N -2 0 357.384 0.808 20 0 FCADRL C[C@H](NC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccn(C)n1)C(=O)[O-] ZINC001593168620 994015540 /nfs/dbraw/zinc/01/55/40/994015540.db2.gz PZHUWJXYSZWUHV-QMMMGPOBSA-N -2 0 370.362 0.563 20 0 FCADRL CNC(=O)NCCNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001598650865 994439667 /nfs/dbraw/zinc/43/96/67/994439667.db2.gz PLWTXWHMOYIIJC-UHFFFAOYSA-N -2 0 353.759 0.385 20 0 FCADRL COC(=O)C(C)(C)n1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cn1 ZINC001598685124 994993503 /nfs/dbraw/zinc/99/35/03/994993503.db2.gz BATWOYZKDBOONV-UHFFFAOYSA-N -2 0 368.371 0.685 20 0 FCADRL COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1ccccc1C(=O)[O-] ZINC001598687503 995017793 /nfs/dbraw/zinc/01/77/93/995017793.db2.gz HZFGNIOUADIAOG-WDEREUQCSA-N -2 0 371.411 0.961 20 0 FCADRL C[C@@](O)(CNC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F)C(=O)[O-] ZINC001593411712 995191627 /nfs/dbraw/zinc/19/16/27/995191627.db2.gz MSSQUTXGOMGTIC-LLVKDONJSA-N -2 0 370.305 0.514 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)c1ccn(C)n1 ZINC001598712758 995366386 /nfs/dbraw/zinc/36/63/86/995366386.db2.gz JNRPMCIMPHJALS-SNVBAGLBSA-N -2 0 357.344 0.212 20 0 FCADRL C[C@H](OC(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)NCC(=O)[O-] ZINC001593601693 995759343 /nfs/dbraw/zinc/75/93/43/995759343.db2.gz SYLDAKWFGZACJR-QMMMGPOBSA-N -2 0 351.290 0.463 20 0 FCADRL COC(=O)[C@@H]1CN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC001598824152 996363332 /nfs/dbraw/zinc/36/33/32/996363332.db2.gz ZFDWMBBYCMEJRX-WDEREUQCSA-N -2 0 370.383 0.004 20 0 FCADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC001593783057 996492066 /nfs/dbraw/zinc/49/20/66/996492066.db2.gz INXNJGFOJMYYHI-PIGZYNQJSA-N -2 0 354.403 0.659 20 0 FCADRL C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1 ZINC001593783377 996494460 /nfs/dbraw/zinc/49/44/60/996494460.db2.gz JMFHXXDJFMTNCG-PJIJBLCYSA-N -2 0 374.393 0.636 20 0 FCADRL COC(=O)CCCO[N-]C(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C ZINC001598852405 996615583 /nfs/dbraw/zinc/61/55/83/996615583.db2.gz NHGOIIWHLQAKKO-SNVBAGLBSA-N -2 0 362.379 0.746 20 0 FCADRL CC1(C)C[C@H](C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C)(C)O1 ZINC001593848143 996617978 /nfs/dbraw/zinc/61/79/78/996617978.db2.gz KISOLYXOYIQFQU-LLVKDONJSA-N -2 0 362.448 0.738 20 0 FCADRL COC(=O)Cc1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC2)cc1F ZINC001598871683 996740373 /nfs/dbraw/zinc/74/03/73/996740373.db2.gz MSNPDRIOMLEKTM-UHFFFAOYSA-N -2 0 359.331 0.211 20 0 FCADRL COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c1 ZINC001598872916 996746033 /nfs/dbraw/zinc/74/60/33/996746033.db2.gz JSSNELJEEOLXBS-UHFFFAOYSA-N -2 0 353.356 0.484 20 0 FCADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)N1[C@@H](C)SC[C@@H]1C(=O)[O-] ZINC001599380781 996839887 /nfs/dbraw/zinc/83/98/87/996839887.db2.gz TVIANEGVELETSS-VXNVDRBHSA-N -2 0 361.397 0.930 20 0 FCADRL COc1ccc(C(=O)[O-])c(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)c1 ZINC001599486641 996861193 /nfs/dbraw/zinc/86/11/93/996861193.db2.gz CHPYFCMMMZJXSI-NSHDSACASA-N -2 0 352.343 0.805 20 0 FCADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])c1 ZINC001599281834 996904005 /nfs/dbraw/zinc/90/40/05/996904005.db2.gz NRBQESOHOZTPFZ-LLVKDONJSA-N -2 0 361.397 0.679 20 0 FCADRL COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC001599488948 996904193 /nfs/dbraw/zinc/90/41/93/996904193.db2.gz UUBLHMDQMSOHMA-MRXNPFEDSA-N -2 0 350.327 0.655 20 0 FCADRL COC1(C(=O)[O-])CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)CC1 ZINC001599079767 996971640 /nfs/dbraw/zinc/97/16/40/996971640.db2.gz WUTYNEABLHRTEZ-UHFFFAOYSA-N -2 0 361.347 0.778 20 0 FCADRL CC1(C)Cc2cc(S(=O)(=O)[N-]c3nnc(CC(=O)[O-])[nH]3)ccc2O1 ZINC001593965450 997107299 /nfs/dbraw/zinc/10/72/99/997107299.db2.gz YQLPIUJUSFUBKX-UHFFFAOYSA-N -2 0 352.372 0.946 20 0 FCADRL COC1(C[C@H](NS(=O)(=O)c2csnc2C(=O)[O-])C(=O)[O-])CCC1 ZINC001599089640 997166489 /nfs/dbraw/zinc/16/64/89/997166489.db2.gz ZWNCORFGBAMNLT-ZETCQYMHSA-N -2 0 364.401 0.532 20 0 FCADRL COCc1ncsc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001599305413 997304384 /nfs/dbraw/zinc/30/43/84/997304384.db2.gz RWRKPUYWXBYIFU-UHFFFAOYSA-N -2 0 363.417 0.061 20 0 FCADRL CON(C(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O)[C@@H](C)CC(=O)[O-] ZINC001599311207 997418050 /nfs/dbraw/zinc/41/80/50/997418050.db2.gz ZHVVZMWLIQPQDL-VIFPVBQESA-N -2 0 361.358 0.743 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ncc(OC)cn2)c1 ZINC001598921862 997581847 /nfs/dbraw/zinc/58/18/47/997581847.db2.gz CDBAEVJFFVDKEX-UHFFFAOYSA-N -2 0 367.339 0.771 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC001598923600 997614474 /nfs/dbraw/zinc/61/44/74/997614474.db2.gz NRZBQJJULGDRKW-MRVPVSSYSA-N -2 0 357.340 0.267 20 0 FCADRL COc1cc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)c(C(=O)[O-])cc1OC ZINC001599430250 997746506 /nfs/dbraw/zinc/74/65/06/997746506.db2.gz RWZQMFULRCZSAE-VIFPVBQESA-N -2 0 368.342 0.425 20 0 FCADRL COc1cc(OC)c(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-])c(OC)c1 ZINC001599449515 998067950 /nfs/dbraw/zinc/06/79/50/998067950.db2.gz FOGPSKAZAOMTKH-QMMMGPOBSA-N -2 0 361.372 0.628 20 0 FCADRL CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)cc2C1 ZINC001599138192 998080063 /nfs/dbraw/zinc/08/00/63/998080063.db2.gz KDQTZDPWQWZTEN-CYBMUJFWSA-N -2 0 351.384 0.882 20 0 FCADRL COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001599143960 998179442 /nfs/dbraw/zinc/17/94/42/998179442.db2.gz NAOWUHKHWINROJ-SNVBAGLBSA-N -2 0 351.764 0.758 20 0 FCADRL COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001599144060 998181872 /nfs/dbraw/zinc/18/18/72/998181872.db2.gz SCIFNGWJYJOPDD-VIFPVBQESA-N -2 0 351.764 0.758 20 0 FCADRL COc1cc(S(=O)(=O)[N-]c2ncc(C(N)=O)s2)ccc1C(=O)[O-] ZINC001599461075 998273312 /nfs/dbraw/zinc/27/33/12/998273312.db2.gz JOGSKCPWOZWHLJ-UHFFFAOYSA-N -2 0 357.369 0.750 20 0 FCADRL COc1cc(C(=O)[O-])ccc1CCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001599364171 998309563 /nfs/dbraw/zinc/30/95/63/998309563.db2.gz RKYNMEZADAJRKI-UHFFFAOYSA-N -2 0 364.358 0.535 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCCCCC(=O)[O-])c1 ZINC001598962929 998364997 /nfs/dbraw/zinc/36/49/97/998364997.db2.gz HJTHSGNAXDIZQY-UHFFFAOYSA-N -2 0 359.356 0.705 20 0 FCADRL COC[C@@](C)([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1)C(=O)[O-] ZINC001599155560 998366857 /nfs/dbraw/zinc/36/68/57/998366857.db2.gz WSZCOFUQUPUEQM-XUSGNXJCSA-N -2 0 350.418 0.467 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC001598963878 998381415 /nfs/dbraw/zinc/38/14/15/998381415.db2.gz PCWUSMPEUUQHDF-SNVBAGLBSA-N -2 0 357.340 0.409 20 0 FCADRL COCCOc1ncccc1C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-] ZINC001599261979 998401107 /nfs/dbraw/zinc/40/11/07/998401107.db2.gz OSLYLSNDHJDJMW-UWVGGRQHSA-N -2 0 360.388 0.276 20 0 FCADRL COc1ccc(-n2cc([O-])c(C(=O)N[C@]3(CC(=O)[O-])CCOC3)n2)cc1 ZINC001599473687 998492319 /nfs/dbraw/zinc/49/23/19/998492319.db2.gz KLNVOKOEIYDHLQ-KRWDZBQOSA-N -2 0 361.354 0.950 20 0 FCADRL COC[C@H](CS(=O)(=O)[N-]C(=O)C12CCC(C(=O)[O-])(CC1)CC2)OC ZINC001599166556 998551498 /nfs/dbraw/zinc/55/14/98/998551498.db2.gz OQZPGVLMKFWFGC-VCANKDNSSA-N -2 0 363.432 0.519 20 0 FCADRL COc1ccc(C(=O)COC(=O)Cn2cc(C(=O)[O-])cn2)c2occ([O-])c21 ZINC001599478859 998575585 /nfs/dbraw/zinc/57/55/85/998575585.db2.gz DKMRGSFGYGQAET-UHFFFAOYSA-N -2 0 374.305 0.591 20 0 FCADRL COC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C(=O)[O-] ZINC001599172322 998624235 /nfs/dbraw/zinc/62/42/35/998624235.db2.gz XMJNXOUMUDCFAN-LBPRGKRZSA-N -2 0 372.399 0.006 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(C(C)(C)C(=O)[O-])c2)cn1 ZINC001598990924 998736773 /nfs/dbraw/zinc/73/67/73/998736773.db2.gz UQZLXYJMSOHBPL-UHFFFAOYSA-N -2 0 368.371 0.685 20 0 FCADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC001594209874 998813430 /nfs/dbraw/zinc/81/34/30/998813430.db2.gz JKIJAHJKQAKMIM-WDEREUQCSA-N -2 0 364.354 0.658 20 0 FCADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC001594209871 998813497 /nfs/dbraw/zinc/81/34/97/998813497.db2.gz JKIJAHJKQAKMIM-GHMZBOCLSA-N -2 0 364.354 0.658 20 0 FCADRL COC(=O)c1c[nH]nc1S(=O)(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC001599007584 998868137 /nfs/dbraw/zinc/86/81/37/998868137.db2.gz MCXVLPANXXRTFF-UHFFFAOYSA-N -2 0 369.355 0.382 20 0 FCADRL COC(=O)c1cn[n-]c1S(=O)(=O)Oc1cc(OC)ccc1C(=O)[O-] ZINC001599007575 998868335 /nfs/dbraw/zinc/86/83/35/998868335.db2.gz LTKFCNOISBUJEM-UHFFFAOYSA-N -2 0 356.312 0.671 20 0 FCADRL COC(=O)c1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cn1 ZINC001599009450 998884761 /nfs/dbraw/zinc/88/47/61/998884761.db2.gz OGEUADSZEJZACF-UHFFFAOYSA-N -2 0 367.339 0.771 20 0 FCADRL COC(=O)c1cncc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2C)c1 ZINC001599011412 998901541 /nfs/dbraw/zinc/90/15/41/998901541.db2.gz PVWAZDXEWLALNK-UHFFFAOYSA-N -2 0 354.344 0.259 20 0 FCADRL CO[C@@H](C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(=O)[O-])C1CC1 ZINC001599042336 999126943 /nfs/dbraw/zinc/12/69/43/999126943.db2.gz BCEKVQQALYRLOI-NEPJUHHUSA-N -2 0 358.372 0.326 20 0 FCADRL CO[C@H](CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)CC(=O)[O-] ZINC001599055844 999228877 /nfs/dbraw/zinc/22/88/77/999228877.db2.gz RTCAKPUFEGPURS-LURJTMIESA-N -2 0 353.299 0.431 20 0 FCADRL C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C[C@H]1C(=O)[O-] ZINC001594392070 999478496 /nfs/dbraw/zinc/47/84/96/999478496.db2.gz BIYPFCNWRKMJQC-FOUMNBMASA-N -2 0 352.387 0.125 20 0 FCADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)c1 ZINC000189510648 209253971 /nfs/dbraw/zinc/25/39/71/209253971.db2.gz APYCVHUCOUKHQK-UHFFFAOYSA-N -2 0 363.403 0.609 20 0 FCADRL CCOC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000276650794 212272276 /nfs/dbraw/zinc/27/22/76/212272276.db2.gz ZAPDRLXYNYOOLB-NSHDSACASA-N -2 0 373.383 0.768 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)C[C@H]1C(=O)[O-] ZINC000275083822 211959805 /nfs/dbraw/zinc/95/98/05/211959805.db2.gz JDOKVXTYEHCMDD-CHWSQXEVSA-N -2 0 369.395 0.808 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)Cc1cccc2cccnc21)C(=O)[O-] ZINC000275027469 211950189 /nfs/dbraw/zinc/95/01/89/211950189.db2.gz SVUFLGGOIAVUCN-LBPRGKRZSA-N -2 0 352.368 0.830 20 0 FCADRL C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000424394444 247206391 /nfs/dbraw/zinc/20/63/91/247206391.db2.gz TXXBFVPYIAQTOL-HTQZYQBOSA-N -2 0 368.371 0.310 20 0 FCADRL CC(C)C[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000270493552 211211088 /nfs/dbraw/zinc/21/10/88/211211088.db2.gz MLOONRFTUIIJBR-VIFPVBQESA-N -2 0 356.360 0.214 20 0 FCADRL Cc1cc(C(=O)Nc2cnn(-c3ncccn3)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000469835862 250006962 /nfs/dbraw/zinc/00/69/62/250006962.db2.gz HIYVAODKNPOZOW-UHFFFAOYSA-N -2 0 364.325 0.972 20 0 FCADRL C[C@@](O)(CNC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC000471442650 250102667 /nfs/dbraw/zinc/10/26/67/250102667.db2.gz SSLKJLSNUIKHET-GFCCVEGCSA-N -2 0 350.780 0.277 20 0 FCADRL NC(=O)COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000481466765 250335212 /nfs/dbraw/zinc/33/52/12/250335212.db2.gz NSPJTBHBEPISHM-UHFFFAOYSA-N -3 0 366.351 0.755 20 0 FCADRL Cc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c(Br)c1 ZINC000110969842 208273348 /nfs/dbraw/zinc/27/33/48/208273348.db2.gz KMQRFMAGXXZGAA-UHFFFAOYSA-N -2 0 366.189 0.917 20 0 FCADRL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2nnc3ccccc3n2)s1 ZINC000539409832 484468726 /nfs/dbraw/zinc/46/87/26/484468726.db2.gz FZKHRMCKBJEOBX-UHFFFAOYSA-N -2 0 351.373 0.500 20 0 FCADRL COc1cc(Cl)ccc1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000314703689 488896606 /nfs/dbraw/zinc/89/66/06/488896606.db2.gz JWMXGXYEWOSXAE-QMMMGPOBSA-N -2 0 351.764 0.945 20 0 FCADRL COc1cc(C)c(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1OC ZINC000324156501 488904990 /nfs/dbraw/zinc/90/49/90/488904990.db2.gz BIPZMDNHRYVVHR-VIFPVBQESA-N -2 0 361.372 0.609 20 0 FCADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 ZINC000325600327 488911033 /nfs/dbraw/zinc/91/10/33/488911033.db2.gz GMWUUSIHBMMWRZ-UHFFFAOYSA-N -2 0 353.356 0.632 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CS(N)(=O)=O)cc1 ZINC000325094616 488908656 /nfs/dbraw/zinc/90/86/56/488908656.db2.gz OAAZPOYLYXFMNT-UHFFFAOYSA-N -2 0 374.396 0.876 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(=O)[O-])cc2)cn1 ZINC000055564543 488244261 /nfs/dbraw/zinc/24/42/61/488244261.db2.gz CAFRYDZRDWAMKQ-UHFFFAOYSA-N -2 0 352.372 0.425 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2NS(C)(=O)=O)cc1C(N)=O ZINC000106239671 488513044 /nfs/dbraw/zinc/51/30/44/488513044.db2.gz OXXNXBZFIKCJPG-UHFFFAOYSA-N -2 0 372.428 0.296 20 0 FCADRL CCC[C@H](NC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC000262212944 488557258 /nfs/dbraw/zinc/55/72/58/488557258.db2.gz YIIQKQZQWZSNDO-ZDUSSCGKSA-N -2 0 371.415 1.000 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262469473 488572056 /nfs/dbraw/zinc/57/20/56/488572056.db2.gz ZMJVSIRTWKFNDE-LLVKDONJSA-N -2 0 356.400 0.764 20 0 FCADRL CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc2C[C@@H]1C ZINC000274937978 488745790 /nfs/dbraw/zinc/74/57/90/488745790.db2.gz QJIXHCFYGKQGJL-UFBFGSQYSA-N -2 0 370.383 0.190 20 0 FCADRL CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000274939141 488745793 /nfs/dbraw/zinc/74/57/93/488745793.db2.gz QONFEJVCTVDCAE-GFCCVEGCSA-N -2 0 372.399 0.375 20 0 FCADRL CC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1 ZINC000274949556 488747052 /nfs/dbraw/zinc/74/70/52/488747052.db2.gz AFAPGCRBENHMNG-STQMWFEESA-N -2 0 355.368 0.685 20 0 FCADRL Nc1ncc(Cl)cc1S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000274953697 488747607 /nfs/dbraw/zinc/74/76/07/488747607.db2.gz ARNCAIKCQIWWRT-GFCCVEGCSA-N -2 0 363.779 0.257 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccc3c2OCCO3)C[C@H]1C(=O)[O-] ZINC000274961140 488748659 /nfs/dbraw/zinc/74/86/59/488748659.db2.gz BLHDZBDEDMRIMH-NXEZZACHSA-N -2 0 371.367 0.254 20 0 FCADRL CC(C)(C)[C@@H](CC(=O)[O-])NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000274982314 488750560 /nfs/dbraw/zinc/75/05/60/488750560.db2.gz JVFMHZQNLOYVJJ-SECBINFHSA-N -2 0 370.387 0.604 20 0 FCADRL COC(=O)c1cccc(CS(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000275051052 488756666 /nfs/dbraw/zinc/75/66/66/488756666.db2.gz WZHBZQRDCGHEAA-LLVKDONJSA-N -2 0 359.356 0.068 20 0 FCADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)CCS(C)(=O)=O ZINC000275064090 488758129 /nfs/dbraw/zinc/75/81/29/488758129.db2.gz VENJTEKULGKRAM-UHFFFAOYSA-N -2 0 355.365 0.319 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)c(OC)c1 ZINC000275070034 488758619 /nfs/dbraw/zinc/75/86/19/488758619.db2.gz GUTFNQSJWFLPGL-OAHLLOKOSA-N -2 0 373.383 0.644 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1cnn(CC(F)(F)F)c1)C(=O)[O-] ZINC000275106946 488762320 /nfs/dbraw/zinc/76/23/20/488762320.db2.gz RLJHJBJQGIQENI-ZETCQYMHSA-N -2 0 359.282 0.042 20 0 FCADRL COc1cc(OC)cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1 ZINC000275144266 488765911 /nfs/dbraw/zinc/76/59/11/488765911.db2.gz QRYRRCFOEVIYHJ-QWHCGFSZSA-N -2 0 373.383 0.500 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccc(Cl)nc2)C1 ZINC000275181931 488769878 /nfs/dbraw/zinc/76/98/78/488769878.db2.gz WSHLFJHNFABDOQ-CYBMUJFWSA-N -2 0 362.791 0.816 20 0 FCADRL O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Cc4nn[nH]n4)cc3)cc2[nH]1 ZINC000178217935 488860175 /nfs/dbraw/zinc/86/01/75/488860175.db2.gz YTXDWDRHWLKDCV-UHFFFAOYSA-N -2 0 371.382 0.761 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000281717343 489100511 /nfs/dbraw/zinc/10/05/11/489100511.db2.gz CVTBCCMDJDDDAM-ZDUSSCGKSA-N -2 0 371.396 0.631 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccc3c2OCC3)C[C@@H]1C(=O)[O-] ZINC000570506495 491245457 /nfs/dbraw/zinc/24/54/57/491245457.db2.gz QZMJZLDKHFHGER-MNOVXSKESA-N -2 0 355.368 0.418 20 0 FCADRL Cc1cc(C)n2nc(C(=O)[N-]c3nnc([N-]S(C)(=O)=O)s3)nc2n1 ZINC000298967677 489389026 /nfs/dbraw/zinc/38/90/26/489389026.db2.gz ZZLIZHWEKGNRQF-UHFFFAOYSA-N -2 0 368.404 0.216 20 0 FCADRL Cc1cc(C(=O)NC2(c3nnn[n-]3)CCCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000469536273 489711307 /nfs/dbraw/zinc/71/13/07/489711307.db2.gz WEOYDXDPHRTCTJ-UHFFFAOYSA-N -3 0 356.346 0.457 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(OC)c2)cn1 ZINC000432778576 489854563 /nfs/dbraw/zinc/85/45/63/489854563.db2.gz FCDQPBFUESRRGY-UHFFFAOYSA-N -2 0 369.355 0.564 20 0 FCADRL COC(=O)CCNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000477158835 489947145 /nfs/dbraw/zinc/94/71/45/489947145.db2.gz GDNAFNCTCFKKFS-UHFFFAOYSA-N -2 0 354.381 0.039 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)cc1C(=O)[O-] ZINC000390436604 490137381 /nfs/dbraw/zinc/13/73/81/490137381.db2.gz VEHMPDKWVIXOHW-UHFFFAOYSA-N -2 0 359.385 0.172 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCC(N)=O)c1 ZINC000392147566 490147943 /nfs/dbraw/zinc/14/79/43/490147943.db2.gz ILDFXMITSMRKFZ-UHFFFAOYSA-N -2 0 354.340 0.951 20 0 FCADRL CCn1c(=O)oc2cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])ccc21 ZINC000547571589 490320601 /nfs/dbraw/zinc/32/06/01/490320601.db2.gz XUDXFILCJXYBNE-QMMMGPOBSA-N -2 0 372.355 0.068 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cn1 ZINC000571489489 491311145 /nfs/dbraw/zinc/31/11/45/491311145.db2.gz GABGBDUWBDNJIS-UHFFFAOYSA-N -2 0 353.356 0.484 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000547594610 490326248 /nfs/dbraw/zinc/32/62/48/490326248.db2.gz PPJBUNIHUYJTMX-AWEZNQCLSA-N -2 0 372.355 0.676 20 0 FCADRL Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000547616266 490331421 /nfs/dbraw/zinc/33/14/21/490331421.db2.gz ZISJNBVQHGMETH-CYBMUJFWSA-N -2 0 360.344 0.747 20 0 FCADRL CC1(C)C(=O)Nc2ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc21 ZINC000547873581 490372929 /nfs/dbraw/zinc/37/29/29/490372929.db2.gz OJHBSVTZSJJJFK-JTQLQIEISA-N -2 0 356.356 0.123 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccc3n[nH]c(C(N)=O)c3c2)cc1C(=O)[O-] ZINC000484088629 490382624 /nfs/dbraw/zinc/38/26/24/490382624.db2.gz KZZXEMLCEMKVFA-UHFFFAOYSA-N -2 0 363.355 0.499 20 0 FCADRL COc1cccc([C@@H](CC(=O)[O-])[N-]S(=O)(=O)c2c(N)noc2C)c1 ZINC000571675440 491322443 /nfs/dbraw/zinc/32/24/43/491322443.db2.gz HQSOBBWENZNIDZ-LLVKDONJSA-N -2 0 355.372 1.068 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1N(C)C ZINC000547924658 490388211 /nfs/dbraw/zinc/38/82/11/490388211.db2.gz GVRIGSNUGPPZRL-STQMWFEESA-N -2 0 370.427 0.857 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2C(N)=O)cc1C(=O)[O-] ZINC000499334034 490413365 /nfs/dbraw/zinc/41/33/65/490413365.db2.gz JKXLBOXTQFLGFB-UHFFFAOYSA-N -2 0 354.344 0.325 20 0 FCADRL Cc1cccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1Br ZINC000548209067 490439754 /nfs/dbraw/zinc/43/97/54/490439754.db2.gz GZXHIRDORXHWEG-UHFFFAOYSA-N -2 0 366.189 0.917 20 0 FCADRL CCOC(=O)c1cc(F)cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000548209855 490441443 /nfs/dbraw/zinc/44/14/43/490441443.db2.gz YQUCPOINHQLBHO-JTQLQIEISA-N -2 0 363.319 0.209 20 0 FCADRL COCCn1cc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCO3)cn1 ZINC000484558247 490441972 /nfs/dbraw/zinc/44/19/72/490441972.db2.gz PZNVNIZIRGFKSP-UHFFFAOYSA-N -2 0 369.355 0.757 20 0 FCADRL CC1(C)C(=O)Nc2ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc21 ZINC000548215215 490442102 /nfs/dbraw/zinc/44/21/02/490442102.db2.gz LPAUSTGYESGLRQ-QMMMGPOBSA-N -2 0 370.383 0.370 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)N2CC[C@@H]3CCCC[C@H]3C2)C[C@H]1C(=O)[O-] ZINC000548251012 490450204 /nfs/dbraw/zinc/45/02/04/490450204.db2.gz CBVABRBOXMGIKR-IGQOVBAYSA-N -2 0 374.459 0.851 20 0 FCADRL CC(C)(CCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000548554605 490503982 /nfs/dbraw/zinc/50/39/82/490503982.db2.gz AOJWKDGLLYAJCP-UHFFFAOYSA-N -2 0 370.387 0.605 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1cnn(-c2ccccc2)c1)C(=O)[O-] ZINC000548549569 490504403 /nfs/dbraw/zinc/50/44/03/490504403.db2.gz IWCOZEBOUBRZEZ-JTQLQIEISA-N -2 0 353.356 0.326 20 0 FCADRL CC(C)CN(CCC(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000548564433 490507808 /nfs/dbraw/zinc/50/78/08/490507808.db2.gz LGEIDAWNKJEHLY-UHFFFAOYSA-N -2 0 370.387 0.557 20 0 FCADRL COCc1ccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cc1 ZINC000548572630 490508781 /nfs/dbraw/zinc/50/87/81/490508781.db2.gz YYUVCHKRIDJPNA-OAHLLOKOSA-N -2 0 357.384 0.773 20 0 FCADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(-n2nnnc2C)c1 ZINC000548588639 490513433 /nfs/dbraw/zinc/51/34/33/490513433.db2.gz UNYWRJCZRPPVSD-UHFFFAOYSA-N -2 0 363.359 0.501 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)nc2)cc1C(=O)[O-] ZINC000501256175 490591420 /nfs/dbraw/zinc/59/14/20/490591420.db2.gz FJYHUMIRUCDJRS-UHFFFAOYSA-N -2 0 351.340 0.688 20 0 FCADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000539842126 490797891 /nfs/dbraw/zinc/79/78/91/490797891.db2.gz VTAGFIIQZCLZPF-UHFFFAOYSA-N -3 0 369.355 0.555 20 0 FCADRL COc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cccc1C(N)=O ZINC000541123645 490850941 /nfs/dbraw/zinc/85/09/41/490850941.db2.gz FHCOQNVNYBTGIS-UHFFFAOYSA-N -2 0 353.356 0.632 20 0 FCADRL CCOC(=O)Cc1cccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000516323334 490860760 /nfs/dbraw/zinc/86/07/60/490860760.db2.gz AGVQRPAOHJSGMB-NSHDSACASA-N -2 0 373.383 0.246 20 0 FCADRL COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000572819734 491395386 /nfs/dbraw/zinc/39/53/86/491395386.db2.gz CKAQHJPEGLJKNT-MXWKQRLJSA-N -2 0 365.404 0.346 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](C)[C@@H](C(=O)[O-])C(C)C ZINC000576390070 491610837 /nfs/dbraw/zinc/61/08/37/491610837.db2.gz GJEOAEQYAIQXJO-SFYZADRCSA-N -2 0 350.418 0.953 20 0 FCADRL O=C([O-])CCN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)C[C@H]1CCCO1 ZINC000579484493 491699013 /nfs/dbraw/zinc/69/90/13/491699013.db2.gz PVWNXUPQUVMKLW-GFCCVEGCSA-N -2 0 367.427 0.964 20 0 FCADRL CCOC(=O)c1ccc(C)c(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000589062452 491754689 /nfs/dbraw/zinc/75/46/89/491754689.db2.gz ZAPDRLXYNYOOLB-LLVKDONJSA-N -2 0 373.383 0.768 20 0 FCADRL CC[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000647629303 492338781 /nfs/dbraw/zinc/33/87/81/492338781.db2.gz JLJFMCNCDLATDN-XVKPBYJWSA-N -2 0 368.371 0.452 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)CCc2ccccc2F)CC[C@@H]1C(=O)[O-] ZINC000656513977 492627391 /nfs/dbraw/zinc/62/73/91/492627391.db2.gz HGFAUSBNRVIWCN-RYUDHWBXSA-N -2 0 359.375 0.805 20 0 FCADRL COc1ncc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc1Cl ZINC000650410819 492638320 /nfs/dbraw/zinc/63/83/20/492638320.db2.gz XVTOPNORYDLUNG-GFCCVEGCSA-N -2 0 366.779 0.588 20 0 FCADRL C[C@@H]1CN(C(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)CC[C@@H]1C(=O)[O-] ZINC000625955822 492906279 /nfs/dbraw/zinc/90/62/79/492906279.db2.gz HRSPFULUBGUMII-BDAKNGLRSA-N -2 0 354.432 0.765 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)C1 ZINC000653309922 493091418 /nfs/dbraw/zinc/09/14/18/493091418.db2.gz PAZYWZUOZMXMKS-QJPTWQEYSA-N -2 0 352.387 0.411 20 0 FCADRL C[C@](CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)(C(=O)[O-])c1ccccc1 ZINC000659410775 493169031 /nfs/dbraw/zinc/16/90/31/493169031.db2.gz HLXGIRVMARBRLU-FSPWUOQZSA-N -2 0 362.382 0.772 20 0 FCADRL C[C@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000659411445 493169740 /nfs/dbraw/zinc/16/97/40/493169740.db2.gz HOHHOVKHCOIHIO-APLJZOTDSA-N -2 0 354.403 0.864 20 0 FCADRL CC1(C)Cc2cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])ccc2O1 ZINC000681563683 493186977 /nfs/dbraw/zinc/18/69/77/493186977.db2.gz WCWMXGGDSOZKTR-LLVKDONJSA-N -2 0 357.384 0.996 20 0 FCADRL CCc1nn(C)c(CC)c1S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000681588139 493192532 /nfs/dbraw/zinc/19/25/32/493192532.db2.gz GFEVCECQPZXSQP-HNNXBMFYSA-N -2 0 373.431 0.485 20 0 FCADRL Cc1n[nH]cc1S(=O)(=O)N[C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684562233 493419130 /nfs/dbraw/zinc/41/91/30/493419130.db2.gz UGNDIHKQPGJVIA-GFCCVEGCSA-N -2 0 367.383 0.319 20 0 FCADRL CCN(CC)S(=O)(=O)N[C@@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684561645 493419243 /nfs/dbraw/zinc/41/92/43/493419243.db2.gz JQRNBODYUBOJSV-ZDUSSCGKSA-N -2 0 358.416 0.486 20 0 FCADRL COC[C@@H](C)S(=O)(=O)N[C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684562351 493419321 /nfs/dbraw/zinc/41/93/21/493419321.db2.gz UVMVNJSQIZKYLT-ZWNOBZJWSA-N -2 0 359.400 0.264 20 0 FCADRL CCCCN(C)S(=O)(=O)N[C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684561496 493419336 /nfs/dbraw/zinc/41/93/36/493419336.db2.gz FDIOOKAANVLRLU-CQSZACIVSA-N -2 0 372.443 0.876 20 0 FCADRL Cc1n[nH]c(C(=O)NC[C@@]2(C)CCN(C(=O)c3n[nH]c(C)c3[O-])C2)c1[O-] ZINC000669620407 493514858 /nfs/dbraw/zinc/51/48/58/493514858.db2.gz JLXYBTSBYTZNFX-MRXNPFEDSA-N -2 0 362.390 0.443 20 0 FCADRL O=C([O-])CSCC(=O)[N-]S(=O)(=O)N1CCc2sccc2C1 ZINC000740486896 597106765 /nfs/dbraw/zinc/10/67/65/597106765.db2.gz QCHGACHGNYWUMA-UHFFFAOYSA-N -2 0 350.443 0.285 20 0 FCADRL COc1ccc(Br)cc1S([O-])=CC(=O)NCC(=O)[O-] ZINC000820814614 597738100 /nfs/dbraw/zinc/73/81/00/597738100.db2.gz DZOHMSYHWHTPDB-IBGZPJMESA-N -2 0 350.190 0.766 20 0 FCADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000738041046 599727756 /nfs/dbraw/zinc/72/77/56/599727756.db2.gz WQAJQGWEEOLDNY-UWVGGRQHSA-N -2 0 356.356 0.179 20 0 FCADRL CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000737202832 599727874 /nfs/dbraw/zinc/72/78/74/599727874.db2.gz HFPGZSXHLIBNGL-QWRGUYRKSA-N -2 0 370.383 0.569 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)NC3CC3)c2)o1 ZINC000324406293 599737237 /nfs/dbraw/zinc/73/72/37/599737237.db2.gz UPMOPCWHICVZBW-UHFFFAOYSA-N -2 0 354.344 0.254 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)ccc1O ZINC000737680463 599738958 /nfs/dbraw/zinc/73/89/58/599738958.db2.gz JHTNXAGWRZOFKV-UHFFFAOYSA-N -2 0 355.328 0.261 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1NC(C)=O ZINC000738069956 599739280 /nfs/dbraw/zinc/73/92/80/599739280.db2.gz SRDGYFKEHYIWFU-UHFFFAOYSA-N -2 0 368.371 0.736 20 0 FCADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1 ZINC000739826895 599739495 /nfs/dbraw/zinc/73/94/95/599739495.db2.gz YHBQJQKMPHNRIS-UHFFFAOYSA-N -3 0 355.328 0.232 20 0 FCADRL COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000737636915 599797123 /nfs/dbraw/zinc/79/71/23/599797123.db2.gz DEUOHLAYWWALSV-UHFFFAOYSA-N -2 0 350.374 0.387 20 0 FCADRL CCOC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CCNC(=O)[O-])cc1 ZINC000737146787 599797126 /nfs/dbraw/zinc/79/71/26/599797126.db2.gz OTELJYZRCYEUEK-UHFFFAOYSA-N -2 0 373.387 0.395 20 0 FCADRL O=C([O-])NCCCC(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000739957610 599801112 /nfs/dbraw/zinc/80/11/12/599801112.db2.gz XIRHPNMMRFBZQF-UHFFFAOYSA-N -2 0 352.372 0.725 20 0 FCADRL CCOc1cc(C(=O)[N-]S(=O)(=O)N(C)C(C)C)ccc1OCC(=O)[O-] ZINC000737185409 599913409 /nfs/dbraw/zinc/91/34/09/599913409.db2.gz QDOFDHQXTNWQTJ-UHFFFAOYSA-N -2 0 374.415 0.864 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cc1C(N)=O ZINC000320151105 600053370 /nfs/dbraw/zinc/05/33/70/600053370.db2.gz JKALAROMBLSPDX-UHFFFAOYSA-N -2 0 355.397 0.978 20 0 FCADRL CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000736134996 600162686 /nfs/dbraw/zinc/16/26/86/600162686.db2.gz MEUZLFDVXQXJJN-AWEZNQCLSA-N -2 0 368.411 0.589 20 0 FCADRL CC(=O)N(CCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])Cc1ccccc1 ZINC000736131693 600459022 /nfs/dbraw/zinc/45/90/22/600459022.db2.gz VZKVGESFMDBLFC-UHFFFAOYSA-N -2 0 370.427 0.736 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000739696389 600461130 /nfs/dbraw/zinc/46/11/30/600461130.db2.gz UTYLVMOKQGOSHC-UHFFFAOYSA-N -2 0 355.347 0.936 20 0 FCADRL COc1ccc(-n2ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])n2)cc1 ZINC000737918116 600464305 /nfs/dbraw/zinc/46/43/05/600464305.db2.gz SGEPPVAJGDZVRS-UHFFFAOYSA-N -2 0 367.383 0.805 20 0 FCADRL CN(C)C(=O)COc1ccccc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000737349807 600465564 /nfs/dbraw/zinc/46/55/64/600465564.db2.gz GURBMPCYQZRRDB-UHFFFAOYSA-N -2 0 372.399 0.078 20 0 FCADRL CN1C(=O)c2ccc(S(=O)(=O)[N-]c3cnccc3C(=O)[O-])cc2C1=O ZINC000737505544 600514846 /nfs/dbraw/zinc/51/48/46/600514846.db2.gz NEMWDUJZWUYRRP-UHFFFAOYSA-N -2 0 361.335 0.806 20 0 FCADRL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)s1 ZINC000736168848 600529802 /nfs/dbraw/zinc/52/98/02/600529802.db2.gz IZHZHOFPPUMNPF-UHFFFAOYSA-N -2 0 359.389 0.492 20 0 FCADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1 ZINC000738343677 600529867 /nfs/dbraw/zinc/52/98/67/600529867.db2.gz UGQKPZQULOHXRD-UHFFFAOYSA-N -3 0 355.328 0.481 20 0 FCADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC000738037968 600530762 /nfs/dbraw/zinc/53/07/62/600530762.db2.gz AUMWBUFYOCOOLB-UHFFFAOYSA-N -2 0 368.371 0.736 20 0 FCADRL COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1 ZINC000737574229 600646960 /nfs/dbraw/zinc/64/69/60/600646960.db2.gz MPIDCOKIVTUJIU-CYBMUJFWSA-N -2 0 368.367 0.777 20 0 FCADRL COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1 ZINC000737574231 600646968 /nfs/dbraw/zinc/64/69/68/600646968.db2.gz MPIDCOKIVTUJIU-ZDUSSCGKSA-N -2 0 368.367 0.777 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cn1 ZINC000392136770 600672142 /nfs/dbraw/zinc/67/21/42/600672142.db2.gz PVGBUDKWIADZEN-UHFFFAOYSA-N -2 0 353.356 0.930 20 0 FCADRL COC(=O)Cc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000831188803 600673800 /nfs/dbraw/zinc/67/38/00/600673800.db2.gz JBGQQJKFXQMJPA-UHFFFAOYSA-N -2 0 353.356 0.484 20 0 FCADRL NC(=O)CCOc1ccccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000326976865 600675810 /nfs/dbraw/zinc/67/58/10/600675810.db2.gz IRRIMHLBDDWVRE-UHFFFAOYSA-N -2 0 368.371 0.023 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccc(-n3cc[nH]c3=O)c2)cn1 ZINC000833274129 600678267 /nfs/dbraw/zinc/67/82/67/600678267.db2.gz RAUDAKVXRWGCOO-UHFFFAOYSA-N -2 0 363.355 0.660 20 0 FCADRL Cc1cc(F)cc(C(=O)[O-])c1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000832887487 600679434 /nfs/dbraw/zinc/67/94/34/600679434.db2.gz GFATZNRXDDPYJM-UHFFFAOYSA-N -3 0 357.319 0.914 20 0 FCADRL CS(=O)(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n1 ZINC000738154898 600785326 /nfs/dbraw/zinc/78/53/26/600785326.db2.gz LAQKWMRCZGCCNN-UHFFFAOYSA-N -2 0 363.373 0.020 20 0 FCADRL O=C([O-])CCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000833227013 600825632 /nfs/dbraw/zinc/82/56/32/600825632.db2.gz LSZQQRPFQQPXAA-UHFFFAOYSA-N -2 0 356.400 0.771 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000833228627 600947472 /nfs/dbraw/zinc/94/74/72/600947472.db2.gz SKMXEYSGAZPZED-VXGBXAGGSA-N -2 0 369.395 0.872 20 0 FCADRL CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c1 ZINC000829885425 600984899 /nfs/dbraw/zinc/98/48/99/600984899.db2.gz MWFPLWHPPMACDS-UHFFFAOYSA-N -2 0 354.344 0.340 20 0 FCADRL COc1cc(C)c(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1OC ZINC000831966606 600986815 /nfs/dbraw/zinc/98/68/15/600986815.db2.gz FVQLEJWVZRXIQR-UHFFFAOYSA-N -2 0 356.360 0.489 20 0 FCADRL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1cnn(C)c1 ZINC000826009226 601141922 /nfs/dbraw/zinc/14/19/22/601141922.db2.gz TVJLZGNQZKDTAM-SNVBAGLBSA-N -2 0 351.384 0.868 20 0 FCADRL Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)nc2n1 ZINC000832857882 601201356 /nfs/dbraw/zinc/20/13/56/601201356.db2.gz CODJOWABIVIDIR-UHFFFAOYSA-N -2 0 363.355 0.533 20 0 FCADRL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)s1 ZINC000833087059 601239642 /nfs/dbraw/zinc/23/96/42/601239642.db2.gz YQJOESXXZRDRMN-YUMQZZPRSA-N -2 0 360.413 0.543 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(OCC(=O)[O-])cc2)cn1 ZINC000830423985 601243030 /nfs/dbraw/zinc/24/30/30/601243030.db2.gz CJMTUEQLFNJPOG-UHFFFAOYSA-N -2 0 353.356 0.485 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]C(=O)c2cccc(OCC(=O)[O-])c2)cn1 ZINC000830424309 601243036 /nfs/dbraw/zinc/24/30/36/601243036.db2.gz PSGYRHLTIIIATR-UHFFFAOYSA-N -2 0 353.356 0.485 20 0 FCADRL CCOC(=O)c1sc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)nc1C ZINC000829895193 601358946 /nfs/dbraw/zinc/35/89/46/601358946.db2.gz JLNVBXZWKCMFQP-UHFFFAOYSA-N -2 0 374.400 0.710 20 0 FCADRL COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC000831192324 601361457 /nfs/dbraw/zinc/36/14/57/601361457.db2.gz GRQOXCWXEJIFNU-QPJJXVBHSA-N -2 0 366.355 0.350 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)N2CCCC2)cc(C)c1OCC(=O)[O-] ZINC000832864650 601499969 /nfs/dbraw/zinc/49/99/69/601499969.db2.gz AIVIJWQUKDLKAY-UHFFFAOYSA-N -2 0 356.400 0.837 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)N[C@@](C)(COC)C(=O)[O-])cc2[n-]c1=S ZINC000830411220 601696763 /nfs/dbraw/zinc/69/67/63/601696763.db2.gz CXMGZLKZDOUBSO-INIZCTEOSA-N -2 0 365.411 0.925 20 0 FCADRL COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H](C(=O)[O-])C3CC3)cc2)[n-]1 ZINC000831188642 601703331 /nfs/dbraw/zinc/70/33/31/601703331.db2.gz FJVSYKVBFIMVCR-MRXNPFEDSA-N -2 0 373.365 0.474 20 0 FCADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)cn1 ZINC000833344836 601768544 /nfs/dbraw/zinc/76/85/44/601768544.db2.gz CXECXRPYMDXHBY-UHFFFAOYSA-N -2 0 370.412 0.874 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1C(=O)[O-] ZINC000830907689 601783171 /nfs/dbraw/zinc/78/31/71/601783171.db2.gz OWCDHWQJSCBZAZ-UHFFFAOYSA-N -2 0 363.351 0.750 20 0 FCADRL Cn1cc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000833052655 601783694 /nfs/dbraw/zinc/78/36/94/601783694.db2.gz FWIDSXHWFNKDAR-UHFFFAOYSA-N -2 0 354.340 0.988 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])c1cc(F)ccc1F ZINC000831077847 601786042 /nfs/dbraw/zinc/78/60/42/601786042.db2.gz CSHPQONCMZYKPV-HQJQHLMTSA-N -2 0 351.327 0.819 20 0 FCADRL Cn1c2ccc(S(=O)(=O)[N-]c3csnc3C(=O)[O-])cc2n(C)c1=O ZINC000833037978 602155506 /nfs/dbraw/zinc/15/55/06/602155506.db2.gz HNSDLBWSVIFWGJ-UHFFFAOYSA-N -2 0 368.396 0.833 20 0 FCADRL Cc1ccc(-n2nccc2[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)nn1 ZINC000832909007 604622697 /nfs/dbraw/zinc/62/26/97/604622697.db2.gz FCDGXDRTOSVYCI-UHFFFAOYSA-N -2 0 363.359 0.053 20 0 FCADRL CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1nc(CCC(=O)[O-])cs1 ZINC000829889875 604624220 /nfs/dbraw/zinc/62/42/20/604624220.db2.gz HRAJIJICCBDOCH-UHFFFAOYSA-N -2 0 374.400 0.861 20 0 FCADRL CS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833737254 604686396 /nfs/dbraw/zinc/68/63/96/604686396.db2.gz UORFIXRDCLVHMZ-UHFFFAOYSA-N -2 0 356.381 0.984 20 0 FCADRL O=C([O-])N1CC(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])C1 ZINC000831610552 604753869 /nfs/dbraw/zinc/75/38/69/604753869.db2.gz NSWXCFHOXKNKJL-UHFFFAOYSA-N -2 0 369.399 0.269 20 0 FCADRL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cnc(C(=O)[O-])cn2)c1 ZINC000833666502 604790656 /nfs/dbraw/zinc/79/06/56/604790656.db2.gz ZRNIWLJEGHNXHL-UHFFFAOYSA-N -2 0 351.340 0.926 20 0 FCADRL COCCN(CC(=O)[O-])S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000833723540 604879927 /nfs/dbraw/zinc/87/99/27/604879927.db2.gz KHQVPFDYQNNXPA-UHFFFAOYSA-N -2 0 351.764 0.760 20 0 FCADRL CCOC(=O)Cc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)s1 ZINC000833659320 605052893 /nfs/dbraw/zinc/05/28/93/605052893.db2.gz VAWHQCGEYODWOE-UHFFFAOYSA-N -2 0 374.400 0.481 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)N(C)C)c2)c(C(=O)[O-])c1 ZINC000833751146 605189355 /nfs/dbraw/zinc/18/93/55/605189355.db2.gz PLWYAOSOTPSSPZ-UHFFFAOYSA-N -2 0 366.399 0.779 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)N[C@H](COC)C(=O)[O-])cc2[n-]c1=S ZINC000833683167 605414749 /nfs/dbraw/zinc/41/47/49/605414749.db2.gz FJFFSUGLUMWYMJ-LLVKDONJSA-N -2 0 351.384 0.535 20 0 FCADRL Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000822622908 607172433 /nfs/dbraw/zinc/17/24/33/607172433.db2.gz JXWIYGBMCXBVQX-UHFFFAOYSA-N -2 0 367.322 0.238 20 0 FCADRL Cc1nc(S(=O)(=O)NCC2(C(=O)[O-])CC2)c(Br)n1C ZINC000311854943 664123132 /nfs/dbraw/zinc/12/31/32/664123132.db2.gz WONHOKMTKRUWDP-UHFFFAOYSA-N -2 0 352.210 0.634 20 0 FCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2nc(Br)cs2)CCC1 ZINC000863964683 665296737 /nfs/dbraw/zinc/29/67/37/665296737.db2.gz ZUFDGYRKGLBYMU-UHFFFAOYSA-N -2 0 369.218 0.965 20 0 FCADRL CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)Cc1ccc(O)c(F)c1 ZINC000909201918 666227965 /nfs/dbraw/zinc/22/79/65/666227965.db2.gz RBYCAYRBABMDNE-UHFFFAOYSA-N -2 0 352.362 0.855 20 0 FCADRL CCCCNC(=O)N[N-]S(=O)(=O)c1cc(CC(=O)[O-])ccc1OC ZINC000064375401 666457038 /nfs/dbraw/zinc/45/70/38/666457038.db2.gz MCCNGQIFZFHLKC-UHFFFAOYSA-N -2 0 359.404 0.615 20 0 FCADRL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1c(C)n(C)nc1C(=O)[O-] ZINC000912559228 666458641 /nfs/dbraw/zinc/45/86/41/666458641.db2.gz VQNFMQWCQALKBB-UHFFFAOYSA-N -2 0 371.375 0.436 20 0 FCADRL CC[C@H](C)C(=O)N[N-]S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000057118566 666554510 /nfs/dbraw/zinc/55/45/10/666554510.db2.gz SIPZMHSYDIEZKD-QMMMGPOBSA-N -2 0 358.372 0.512 20 0 FCADRL CC[C@H](NS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1)C(=O)[O-] ZINC000914746335 666795158 /nfs/dbraw/zinc/79/51/58/666795158.db2.gz QRVLRZXANSMRAN-SKDRFNHKSA-N -2 0 370.383 0.266 20 0 FCADRL CC(C)C[C@@H](NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)[O-] ZINC000916105551 666991305 /nfs/dbraw/zinc/99/13/05/666991305.db2.gz CTVNAVQTJMZBMS-GFCCVEGCSA-N -2 0 372.399 0.279 20 0 FCADRL N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000325413711 667024432 /nfs/dbraw/zinc/02/44/32/667024432.db2.gz FNXQGYJXPOGWQE-PSASIEDQSA-N -2 0 356.331 0.493 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)C1=O ZINC000917061089 667050135 /nfs/dbraw/zinc/05/01/35/667050135.db2.gz RZUSWGJGRAWTQB-HNNXBMFYSA-N -2 0 369.399 0.915 20 0 FCADRL O=C(NCc1n[nH]c(=O)[n-]1)c1cccc(I)c1[O-] ZINC000755443067 667633357 /nfs/dbraw/zinc/63/33/57/667633357.db2.gz CNTCQWNSDARXPP-UHFFFAOYSA-N -2 0 360.111 0.751 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)c1C(=O)[O-] ZINC000774620855 668162760 /nfs/dbraw/zinc/16/27/60/668162760.db2.gz GMMARVGPHPIVMK-UHFFFAOYSA-N -2 0 366.355 0.876 20 0 FCADRL COc1cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cnc1Cl ZINC000776437626 668261883 /nfs/dbraw/zinc/26/18/83/668261883.db2.gz ZRWOCHNONXUOKR-SSDOTTSWSA-N -2 0 352.752 0.340 20 0 FCADRL O=C([O-])C[C@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000776443202 668262927 /nfs/dbraw/zinc/26/29/27/668262927.db2.gz DPFGICJODQTAGY-REOHCLBHSA-N -3 0 363.216 0.588 20 0 FCADRL O=C([O-])CCC[C@@H](NS(=O)(=O)c1cccc2c1COC2=O)C(=O)[O-] ZINC000788439520 668828618 /nfs/dbraw/zinc/82/86/18/668828618.db2.gz KRCOXSUAGYEZKX-SNVBAGLBSA-N -2 0 357.340 0.343 20 0 FCADRL COC(=O)Nc1ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC000790618537 668878724 /nfs/dbraw/zinc/87/87/24/668878724.db2.gz WKNGQNJCZMLGMG-AWEZNQCLSA-N -2 0 374.371 0.709 20 0 FCADRL O=C([O-])Cc1ccc(C[C@H](NS(=O)(=O)C[C@@H]2CCOC2)C(=O)[O-])cc1 ZINC000794916540 669001650 /nfs/dbraw/zinc/00/16/50/669001650.db2.gz PIFMBWQIHRBCSF-KGLIPLIRSA-N -2 0 371.411 0.265 20 0 FCADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)c1 ZINC000820405217 669092213 /nfs/dbraw/zinc/09/22/13/669092213.db2.gz IJCVIRJPXZLHAL-RKFFSXRUSA-N -2 0 361.441 0.285 20 0 FCADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)c1 ZINC000820551410 669102966 /nfs/dbraw/zinc/10/29/66/669102966.db2.gz WOPKEJVBGSBFKA-XMHCIUCPSA-N -2 0 361.441 0.428 20 0 FCADRL Cn1nc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1C(=O)[O-] ZINC000821089389 669155795 /nfs/dbraw/zinc/15/57/95/669155795.db2.gz HHGJNZADJBYMJT-UHFFFAOYSA-N -2 0 350.356 0.438 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N(CCO)c2ccccc2C(=O)[O-])c[nH]1 ZINC000821094231 669156253 /nfs/dbraw/zinc/15/62/53/669156253.db2.gz ZHFRWYZCJJTSRX-UHFFFAOYSA-N -2 0 354.340 0.599 20 0 FCADRL CC(C)C[C@@H](NS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[O-] ZINC000824236092 669378899 /nfs/dbraw/zinc/37/88/99/669378899.db2.gz MLJRFXWFUALWQV-GFCCVEGCSA-N -2 0 353.404 0.785 20 0 FCADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C(=O)[O-])cn1 ZINC000832583362 669910706 /nfs/dbraw/zinc/91/07/06/669910706.db2.gz RZDUFCULJGLENL-WDEREUQCSA-N -2 0 365.367 0.407 20 0 FCADRL CCc1csc(S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)n1 ZINC000835592908 670007817 /nfs/dbraw/zinc/00/78/17/670007817.db2.gz KTUNVJMVTHYAII-UHFFFAOYSA-N -2 0 373.378 0.968 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000836725633 670058095 /nfs/dbraw/zinc/05/80/95/670058095.db2.gz PNNNOSHQLBMUSL-NSHDSACASA-N -2 0 354.325 0.782 20 0 FCADRL C[C@](CNS(=O)(=O)c1cnc(Cl)c(F)c1)(CC(=O)[O-])C(=O)[O-] ZINC000844789323 670943186 /nfs/dbraw/zinc/94/31/86/670943186.db2.gz LAUUEUGSTZUHIF-LLVKDONJSA-N -2 0 354.743 0.718 20 0 FCADRL CCO[N-]C(=O)CNC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC000846496246 671117340 /nfs/dbraw/zinc/11/73/40/671117340.db2.gz OHFPNHLOIXTRSY-UHFFFAOYSA-N -2 0 369.321 0.746 20 0 FCADRL O=C([O-])C[C@H]1COCCN1S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000853063180 671536172 /nfs/dbraw/zinc/53/61/72/671536172.db2.gz ZVFCONZSZLDUQV-QMMMGPOBSA-N -2 0 363.775 0.902 20 0 FCADRL CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)c1 ZINC000854610745 671589167 /nfs/dbraw/zinc/58/91/67/671589167.db2.gz LSNZGIWUOAPRQN-UHFFFAOYSA-N -2 0 373.366 0.241 20 0 FCADRL O=C([O-])CC1(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)CCC1 ZINC000863952030 672163621 /nfs/dbraw/zinc/16/36/21/672163621.db2.gz HVARAODJDNSLJH-UHFFFAOYSA-N -2 0 365.371 0.112 20 0 FCADRL CCOC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])cc1 ZINC000863952513 672163861 /nfs/dbraw/zinc/16/38/61/672163861.db2.gz ZPSHYMLMDWHFJW-UHFFFAOYSA-N -2 0 358.372 0.602 20 0 FCADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C ZINC000863952484 672163894 /nfs/dbraw/zinc/16/38/94/672163894.db2.gz YGUSGYVEWGUOIO-CYBMUJFWSA-N -2 0 372.399 0.815 20 0 FCADRL COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000863953874 672164569 /nfs/dbraw/zinc/16/45/69/672164569.db2.gz BWTPFPCOPFLTMX-LBPRGKRZSA-N -2 0 357.384 0.776 20 0 FCADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000863955693 672165517 /nfs/dbraw/zinc/16/55/17/672165517.db2.gz VJOGMKKBHREQJO-LBPRGKRZSA-N -2 0 354.384 0.134 20 0 FCADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000863959461 672167350 /nfs/dbraw/zinc/16/73/50/672167350.db2.gz FQNXXEVWXWQSIE-AWEZNQCLSA-N -2 0 355.412 0.967 20 0 FCADRL COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)CSCC(=O)[O-])c1 ZINC000863960435 672168028 /nfs/dbraw/zinc/16/80/28/672168028.db2.gz PONOAQYSEGSRNW-UHFFFAOYSA-N -2 0 361.397 0.237 20 0 FCADRL COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)c1 ZINC000863960517 672168056 /nfs/dbraw/zinc/16/80/56/672168056.db2.gz SDKXCPQTIDZEII-LBPRGKRZSA-N -2 0 357.384 0.776 20 0 FCADRL CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])CC2(C)C)s1 ZINC000863961131 672168680 /nfs/dbraw/zinc/16/86/80/672168680.db2.gz IODAIBHFDVITNQ-LBPRGKRZSA-N -2 0 361.401 0.407 20 0 FCADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1C(N)=O ZINC000863961771 672168910 /nfs/dbraw/zinc/16/89/10/672168910.db2.gz BACUVVYFBRWWAF-LLVKDONJSA-N -2 0 356.400 0.478 20 0 FCADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1)C1CCCC1 ZINC000863961815 672168931 /nfs/dbraw/zinc/16/89/31/672168931.db2.gz RMXIYDLXFXBFIC-GFCCVEGCSA-N -2 0 352.372 0.654 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000863963463 672169851 /nfs/dbraw/zinc/16/98/51/672169851.db2.gz XNLAHHNJRXLMQY-JGVFFNPUSA-N -2 0 354.340 0.839 20 0 FCADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000863964638 672170491 /nfs/dbraw/zinc/17/04/91/672170491.db2.gz YKWZJMVODIZRQN-YMTOWFKASA-N -2 0 357.388 0.150 20 0 FCADRL O=Cc1ccc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])[nH]1 ZINC000874967907 672811611 /nfs/dbraw/zinc/81/16/11/672811611.db2.gz CRXNHPUNDBZEJT-WCBMZHEXSA-N -2 0 361.276 0.564 20 0 FCADRL C[C@@H](CC(=O)[O-])NC(=O)c1cnc(I)c([O-])c1 ZINC000901427166 675789763 /nfs/dbraw/zinc/78/97/63/675789763.db2.gz UVCOYXGOQRCUIT-YFKPBYRVSA-N -2 0 350.112 0.985 20 0 FCADRL COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1 ZINC000902307864 675845769 /nfs/dbraw/zinc/84/57/69/675845769.db2.gz RVOJKTFZLCNCFO-ZANVPECISA-N -2 0 354.325 0.639 20 0 FCADRL O=C(OCc1n[nH]c(=O)[n-]1)c1cccc(C(=O)OCc2n[nH]c(=O)[n-]2)c1 ZINC000774906238 1206483730 /nfs/dbraw/zinc/48/37/30/1206483730.db2.gz AJHMIZMQBGCRPF-UHFFFAOYSA-N -2 0 360.286 0.048 20 0 FCADRL COC(=O)/C=C/c1ccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001223033569 1225675092 /nfs/dbraw/zinc/67/50/92/1225675092.db2.gz ZBXUPZRZJZTXCS-BQKNJBSGSA-N -2 0 366.322 0.452 20 0 FCADRL Cc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc(-c2ccccn2)n1 ZINC001226271784 1225838338 /nfs/dbraw/zinc/83/83/38/1225838338.db2.gz FYWYTZUNBNDULD-TVQRCGJNSA-N -2 0 361.310 0.289 20 0 FCADRL CC(=O)Nc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(C(C)=O)c1 ZINC001227193747 1225865789 /nfs/dbraw/zinc/86/57/89/1225865789.db2.gz ZCUOAPZLGKWSPQ-SMDDNHRTSA-N -2 0 367.310 0.289 20 0 FCADRL CCOC(=O)c1c(C)cc(O)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227213192 1225866485 /nfs/dbraw/zinc/86/64/85/1225866485.db2.gz SPVGRGYBQVSMRT-TVQRCGJNSA-N -2 0 370.310 0.319 20 0 FCADRL COC(=O)c1cc2ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc2[nH]1 ZINC001229559895 1226018017 /nfs/dbraw/zinc/01/80/17/1226018017.db2.gz CAFIMVSIPBZMLV-TVQRCGJNSA-N -2 0 365.294 0.396 20 0 FCADRL COc1cccc2c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc(C)nc12 ZINC001229818404 1226035672 /nfs/dbraw/zinc/03/56/72/1226035672.db2.gz NXIIRCFIWWBIJW-ZANVPECISA-N -2 0 364.310 0.389 20 0 FCADRL CC(C)(C)OC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc1 ZINC001229888751 1226038804 /nfs/dbraw/zinc/03/88/04/1226038804.db2.gz VYZJISBFNVPNOU-JOYOIKCWSA-N -2 0 369.326 0.479 20 0 FCADRL CCOC(=O)c1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n(C(C)C)n1 ZINC001234120398 1259557729 /nfs/dbraw/zinc/55/77/29/1259557729.db2.gz SRVGTVXNBMABCG-PRHODGIISA-N -2 0 372.330 0.083 20 0 FCADRL COc1ccc2ccc(=O)oc2c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234388797 1259559837 /nfs/dbraw/zinc/55/98/37/1259559837.db2.gz WUUDHLGUUOLLQD-PRHODGIISA-N -2 0 366.278 0.243 20 0 FCADRL COc1cc(F)cc2ccnc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c21 ZINC001234689241 1259563582 /nfs/dbraw/zinc/56/35/82/1259563582.db2.gz PHKIUGXHVVTETL-NOZJJQNGSA-N -2 0 367.285 0.824 20 0 FCADRL COc1cc2c(ccnc2OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1F ZINC001234866485 1259564524 /nfs/dbraw/zinc/56/45/24/1259564524.db2.gz BUJGKKSQOKXPDZ-NOZJJQNGSA-N -2 0 367.285 0.824 20 0 FCADRL Cc1ccc(-n2[n-]c(C(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)cc2=O)cc1 ZINC001549304380 1267899288 /nfs/dbraw/zinc/89/92/88/1267899288.db2.gz ATEJKIMMINITHX-SGTLLEGYSA-N -2 0 357.366 0.647 20 0 FCADRL CC(C)OC(=O)[C@@H]1CCCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001574297047 1271172656 /nfs/dbraw/zinc/17/26/56/1271172656.db2.gz NQGQAWQSUYUQQI-LBPRGKRZSA-N -2 0 372.389 0.531 20 0 FCADRL CN(CCc1cccc(-c2nn[nH]n2)c1)C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001579236295 1277043110 /nfs/dbraw/zinc/04/31/10/1277043110.db2.gz QWWOAJJJXYGYOQ-UHFFFAOYSA-N -2 0 372.389 0.351 20 0 FCADRL CC(=O)OCCc1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC001603088566 1287307419 /nfs/dbraw/zinc/30/74/19/1287307419.db2.gz ZBUDQUOCMNPGRG-UHFFFAOYSA-N -2 0 367.383 0.874 20 0 FCADRL C[C@@H](C(=O)[N-]OCCCC(=O)[O-])N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001603173062 1287321213 /nfs/dbraw/zinc/32/12/13/1287321213.db2.gz DMMHHTPUJUWFOS-NSHDSACASA-N -2 0 373.406 0.367 20 0 FCADRL C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])n1ccc2ccccc2c1=O ZINC001603173467 1287321238 /nfs/dbraw/zinc/32/12/38/1287321238.db2.gz MDPKCWJAOVFRCP-UWVGGRQHSA-N -2 0 352.368 0.482 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc2cc[nH]c(=O)c2s1 ZINC001603187559 1287325137 /nfs/dbraw/zinc/32/51/37/1287325137.db2.gz IPVOOTDGNGMKAU-NKWVEPMBSA-N -2 0 358.397 0.758 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cnnn1-c1cccc(F)c1 ZINC001603187669 1287325158 /nfs/dbraw/zinc/32/51/58/1287325158.db2.gz IRWAYDHIYBAUDJ-RKDXNWHRSA-N -2 0 370.362 0.575 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC001603189696 1287326116 /nfs/dbraw/zinc/32/61/16/1287326116.db2.gz SLUZEMCYFYFIKY-XLPZGREQSA-N -2 0 374.337 0.095 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC001603190314 1287326531 /nfs/dbraw/zinc/32/65/31/1287326531.db2.gz VTKOFPQYYVZSHI-RQMIITCSSA-N -2 0 355.368 0.984 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC001603204212 1287329046 /nfs/dbraw/zinc/32/90/46/1287329046.db2.gz KRYQXSBAIYJVFU-VIFPVBQESA-N -2 0 367.383 0.577 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001603201701 1287329337 /nfs/dbraw/zinc/32/93/37/1287329337.db2.gz KHFIDUPRWRVMLC-RISCZKNCSA-N -2 0 371.411 0.842 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)COCc1nc2ccccc2s1 ZINC001603205378 1287331340 /nfs/dbraw/zinc/33/13/40/1287331340.db2.gz VBRQDCIFPSIPSY-MRVPVSSYSA-N -2 0 358.397 0.732 20 0 FCADRL CCOCCN(C[C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609240569 1289014939 /nfs/dbraw/zinc/01/49/39/1289014939.db2.gz PMALRMIXKQHHOY-VIFPVBQESA-N -2 0 373.391 0.208 20 0 FCADRL C[C@H](C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1)C(=O)[O-] ZINC001603465123 1287378854 /nfs/dbraw/zinc/37/88/54/1287378854.db2.gz DNBKVRZFCLOSKB-NXEZZACHSA-N -2 0 369.403 0.971 20 0 FCADRL CC(C)(C)OC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])nc1 ZINC001603504173 1287394786 /nfs/dbraw/zinc/39/47/86/1287394786.db2.gz JRNMTAXSFNBNGO-UHFFFAOYSA-N -2 0 372.399 0.961 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)C(=O)[O-] ZINC001603660124 1287460770 /nfs/dbraw/zinc/46/07/70/1287460770.db2.gz MWVCFVWFHORGKW-RNFRBKRXSA-N -2 0 374.337 0.000 20 0 FCADRL O=C(c1ncccc1O)N1CCC[C@@H]1CNc1cncc(-c2nn[nH]n2)n1 ZINC001582751648 1281975659 /nfs/dbraw/zinc/97/56/59/1281975659.db2.gz QJXLXJHEXJHGSK-SNVBAGLBSA-N -2 0 367.373 0.474 20 0 FCADRL CC(C)[C@H](NC(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1)C(=O)[O-] ZINC001603970956 1287546021 /nfs/dbraw/zinc/54/60/21/1287546021.db2.gz APKLJHBNCBYQIE-ZDUSSCGKSA-N -2 0 352.343 0.704 20 0 FCADRL C[C@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001604204215 1287589096 /nfs/dbraw/zinc/58/90/96/1287589096.db2.gz YFVWKMTXNHHZEC-SECBINFHSA-N -2 0 368.367 0.889 20 0 FCADRL C[C@H](C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)c1cnn(C)c1 ZINC001589030585 1282779668 /nfs/dbraw/zinc/77/96/68/1282779668.db2.gz OKLAMRICSTVEFN-QMMMGPOBSA-N -2 0 369.345 0.195 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC001589418611 1282877707 /nfs/dbraw/zinc/87/77/07/1282877707.db2.gz UODYSFPZHCLHOV-LLVKDONJSA-N -2 0 367.387 0.170 20 0 FCADRL C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001590334196 1283478504 /nfs/dbraw/zinc/47/85/04/1283478504.db2.gz AGEDDQPGKJCGTO-PHDIDXHHSA-N -2 0 361.430 0.465 20 0 FCADRL C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC001604497202 1287649172 /nfs/dbraw/zinc/64/91/72/1287649172.db2.gz BJBRRGIOHGRLIL-SFHVURJKSA-N -2 0 360.366 0.593 20 0 FCADRL COCCC[C@@H](C)C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001591408074 1284551297 /nfs/dbraw/zinc/55/12/97/1284551297.db2.gz SYNLOVPMYPKRFW-SECBINFHSA-N -2 0 361.362 0.721 20 0 FCADRL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001591785660 1284903014 /nfs/dbraw/zinc/90/30/14/1284903014.db2.gz SOFABFFJUSRXTM-QMMMGPOBSA-N -2 0 362.390 0.696 20 0 FCADRL Cc1cnc(C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)cn1 ZINC001592291670 1285218922 /nfs/dbraw/zinc/21/89/22/1285218922.db2.gz KLGCKGQZVWSPDX-UHFFFAOYSA-N -2 0 353.302 0.070 20 0 FCADRL O=C(CCc1ccncn1)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001592856601 1285761135 /nfs/dbraw/zinc/76/11/35/1285761135.db2.gz VJCOKNGFPQAJDQ-UHFFFAOYSA-N -2 0 367.329 0.081 20 0 FCADRL O=C([O-])CN(C1CCCC1)S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001593278592 1286062161 /nfs/dbraw/zinc/06/21/61/1286062161.db2.gz NWXBOFUSBOFZNK-UHFFFAOYSA-N -2 0 357.417 0.946 20 0 FCADRL Cc1c(C(=O)[O-])cc(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)n1C ZINC001599992987 1286419738 /nfs/dbraw/zinc/41/97/38/1286419738.db2.gz NCAMJSKTLXQLRN-UHFFFAOYSA-N -2 0 357.326 0.711 20 0 FCADRL Cc1c([C@@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2)C(=O)[O-])cnn1C ZINC001600010077 1286423430 /nfs/dbraw/zinc/42/34/30/1286423430.db2.gz VOOOTMBQBOQHPL-GFCCVEGCSA-N -2 0 353.356 0.531 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cnn1CC(=O)[O-] ZINC001600054997 1286432724 /nfs/dbraw/zinc/43/27/24/1286432724.db2.gz TTXIGHQVJHLOQE-UHFFFAOYSA-N -2 0 352.328 0.924 20 0 FCADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001600224575 1286454544 /nfs/dbraw/zinc/45/45/44/1286454544.db2.gz OLDUSJNNEXCQBG-RFAUZJTJSA-N -2 0 373.358 0.554 20 0 FCADRL Cc1cc(F)c(S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-])cc1C(=O)[O-] ZINC001600226797 1286455738 /nfs/dbraw/zinc/45/57/38/1286455738.db2.gz KHFJSDCSGXXVGD-VIFPVBQESA-N -2 0 363.363 0.679 20 0 FCADRL Cc1cc(N2CC[C@@H](NS(=O)(=O)CC3(C(=O)[O-])CCC3)C2=O)n(C)n1 ZINC001600239503 1286458441 /nfs/dbraw/zinc/45/84/41/1286458441.db2.gz WITTXXZSWICMEC-LLVKDONJSA-N -2 0 370.431 0.008 20 0 FCADRL Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001600289301 1286468551 /nfs/dbraw/zinc/46/85/51/1286468551.db2.gz JQJMGILJNHIVAH-LLVKDONJSA-N -2 0 352.343 0.481 20 0 FCADRL Cc1cc(S(=O)(=O)N2CC(C)(C)OC[C@H]2C(=O)[O-])ccc1C(=O)[O-] ZINC001600293837 1286470649 /nfs/dbraw/zinc/47/06/49/1286470649.db2.gz WEXKIBQRMCQERL-LBPRGKRZSA-N -2 0 357.384 0.946 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)c2cn3c(n2)COCC3)oc1C(=O)[O-] ZINC001600297144 1286471710 /nfs/dbraw/zinc/47/17/10/1286471710.db2.gz KHZRPKDAOWIZPQ-UHFFFAOYSA-N -2 0 355.328 0.132 20 0 FCADRL Cc1ccc(-c2nc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cs2)n1C ZINC001600317448 1286476492 /nfs/dbraw/zinc/47/64/92/1286476492.db2.gz KZVSTTAGGNOSPC-MRVPVSSYSA-N -2 0 357.413 0.990 20 0 FCADRL Cc1ccc(-c2nn(C)cc2C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])o1 ZINC001600319083 1286477866 /nfs/dbraw/zinc/47/78/66/1286477866.db2.gz RIYQGDIJLRAMSH-UHFFFAOYSA-N -2 0 355.372 0.913 20 0 FCADRL Cc1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)c(C(=O)[O-])c1 ZINC001600443476 1286488981 /nfs/dbraw/zinc/48/89/81/1286488981.db2.gz ZFGUOPCXOHMZNT-UHFFFAOYSA-N -2 0 364.354 0.629 20 0 FCADRL Cc1cccc(OCCNC(=O)CS(=O)(=O)c2ncc(C(=O)[O-])[n-]2)c1 ZINC001600546171 1286504873 /nfs/dbraw/zinc/50/48/73/1286504873.db2.gz WDVITABBEYKTGX-UHFFFAOYSA-N -2 0 367.383 0.385 20 0 FCADRL Cc1cnc(-c2cnn(C)c2[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)o1 ZINC001600616207 1286515649 /nfs/dbraw/zinc/51/56/49/1286515649.db2.gz CIXCYGDTCUSUAU-UHFFFAOYSA-N -2 0 366.359 0.465 20 0 FCADRL Cc1cnn(C[C@@H](NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)C(=O)[O-])c1 ZINC001600637023 1286518418 /nfs/dbraw/zinc/51/84/18/1286518418.db2.gz UDWVCCIQADCFOR-CYBMUJFWSA-N -2 0 367.383 0.250 20 0 FCADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccn(CCC(N)=O)n1 ZINC001600654391 1286519937 /nfs/dbraw/zinc/51/99/37/1286519937.db2.gz GMTQWVOOJGFYCI-UHFFFAOYSA-N -2 0 358.401 0.627 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)N2CC[C@H]([C@@H]3CCCO3)[C@H]2C(=O)[O-])c1C(=O)[O-] ZINC001600670609 1286522008 /nfs/dbraw/zinc/52/20/08/1286522008.db2.gz WQJBQLKXWHXNOH-YWVKMMECSA-N -2 0 373.387 0.059 20 0 FCADRL Cc1nc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)nc2c1CCCC2 ZINC001600717214 1286531569 /nfs/dbraw/zinc/53/15/69/1286531569.db2.gz BWUFTBKVTXLERK-UHFFFAOYSA-N -2 0 351.388 0.746 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]c2cc(F)ccc2C(=O)N[C@@H](C)C(=O)[O-])c[nH]1 ZINC001600746679 1286535965 /nfs/dbraw/zinc/53/59/65/1286535965.db2.gz FNEMRJIKYXGSDI-ZETCQYMHSA-N -2 0 370.362 0.861 20 0 FCADRL Cc1nn(-c2cccc(F)c2)cc1C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001600763134 1286540501 /nfs/dbraw/zinc/54/05/01/1286540501.db2.gz FKJSRFZZALIJMU-VIFPVBQESA-N -2 0 355.347 0.853 20 0 FCADRL Cc1nnnn1-c1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc1 ZINC001600800492 1286547599 /nfs/dbraw/zinc/54/75/99/1286547599.db2.gz KXXWKDVXFDZGTF-UHFFFAOYSA-N -2 0 367.387 0.141 20 0 FCADRL Cc1oc(CN(C)C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)cc1C(=O)[O-] ZINC001600840584 1286554984 /nfs/dbraw/zinc/55/49/84/1286554984.db2.gz SPFZWBVKRCLPLI-LBPRGKRZSA-N -2 0 354.359 0.718 20 0 FCADRL Cc1oc(CN(C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1C(=O)[O-] ZINC001600840580 1286555014 /nfs/dbraw/zinc/55/50/14/1286555014.db2.gz SPFZWBVKRCLPLI-GFCCVEGCSA-N -2 0 354.359 0.718 20 0 FCADRL Cn1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c(-c2ccncc2)n1 ZINC001600931929 1286572683 /nfs/dbraw/zinc/57/26/83/1286572683.db2.gz HSCLYSQBKGHFGI-UHFFFAOYSA-N -2 0 352.372 0.407 20 0 FCADRL Cn1cc([C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C(F)(F)F)cn1 ZINC001600939371 1286575141 /nfs/dbraw/zinc/57/51/41/1286575141.db2.gz IJFMWQADDSRNTC-MRVPVSSYSA-N -2 0 353.282 0.423 20 0 FCADRL Cn1cc(C[C@H](NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C(=O)[O-])cn1 ZINC001600947967 1286578192 /nfs/dbraw/zinc/57/81/92/1286578192.db2.gz NZKHUXYACCZQLE-LBPRGKRZSA-N -2 0 371.346 0.232 20 0 FCADRL Cn1cc(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cc1C(=O)[O-] ZINC001600968076 1286583982 /nfs/dbraw/zinc/58/39/82/1286583982.db2.gz NYAWYHYSKXSHBO-NSHDSACASA-N -2 0 353.356 0.093 20 0 FCADRL Cn1cc(S(=O)(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])cc1C(=O)[O-] ZINC001600968053 1286584099 /nfs/dbraw/zinc/58/40/99/1286584099.db2.gz NKOWMTGRSWORLD-NSHDSACASA-N -2 0 360.388 0.272 20 0 FCADRL Cn1cc(S(=O)(=O)NCCc2ccc(CC(=O)[O-])cc2)cc1C(=O)[O-] ZINC001600968754 1286584966 /nfs/dbraw/zinc/58/49/66/1286584966.db2.gz ZHBHXZODFMQSPL-UHFFFAOYSA-N -2 0 366.395 0.871 20 0 FCADRL Cn1nccc1[C@H](NC(=O)c1nc[n-]c(=O)c1Br)C(=O)[O-] ZINC001601033812 1286611131 /nfs/dbraw/zinc/61/11/31/1286611131.db2.gz RYDZKAFOQIZNNF-ZETCQYMHSA-N -2 0 356.136 0.234 20 0 FCADRL NC(=O)[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC001601145484 1286653159 /nfs/dbraw/zinc/65/31/59/1286653159.db2.gz QIHMSPQSSXWSHI-QWHCGFSZSA-N -2 0 368.411 0.623 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])c2cccs2)c1 ZINC001601199678 1286693593 /nfs/dbraw/zinc/69/35/93/1286693593.db2.gz FQPYTRKNGGTBKO-LLVKDONJSA-N -2 0 356.381 0.657 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001601200058 1286695302 /nfs/dbraw/zinc/69/53/02/1286695302.db2.gz QBIOXATUUYVXFS-CYBMUJFWSA-N -2 0 364.379 0.465 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)NCC2(C(=O)[O-])CCCCC2)c1 ZINC001601200163 1286695363 /nfs/dbraw/zinc/69/53/63/1286695363.db2.gz XOGFMOQCVBZEJH-UHFFFAOYSA-N -2 0 356.400 0.805 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c1 ZINC001601199909 1286695497 /nfs/dbraw/zinc/69/54/97/1286695497.db2.gz NSGYTVZXNWHJSV-QLJPJBMISA-N -2 0 368.411 0.757 20 0 FCADRL O=C([O-])c1ccn(CCCC(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)n1 ZINC001601271817 1286710030 /nfs/dbraw/zinc/71/00/30/1286710030.db2.gz HRXKCOKIMLABML-CQSZACIVSA-N -2 0 355.358 0.780 20 0 FCADRL O=C([O-])[C@@H](O)CCNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC001601299155 1286715383 /nfs/dbraw/zinc/71/53/83/1286715383.db2.gz YFUMHRCBIZTYBG-NSHDSACASA-N -2 0 351.384 0.027 20 0 FCADRL O=C([O-])[C@@H](CNC(=O)CSc1n[nH]c(=O)[n-]1)Cc1ccc(O)cc1 ZINC001601349557 1286732781 /nfs/dbraw/zinc/73/27/81/1286732781.db2.gz LLXAOBQOXNLTNB-SECBINFHSA-N -2 0 352.372 0.368 20 0 FCADRL O=C([O-])c1cn(CC(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)c2ccccc12 ZINC001601378170 1286736309 /nfs/dbraw/zinc/73/63/09/1286736309.db2.gz NUCFNXJKASNKNL-LLVKDONJSA-N -2 0 366.395 0.965 20 0 FCADRL O=C([O-])[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccc(Br)cc1 ZINC001601378924 1286736849 /nfs/dbraw/zinc/73/68/49/1286736849.db2.gz ODRLSBFEMPUSSJ-VIFPVBQESA-N -2 0 371.147 0.394 20 0 FCADRL O=C([O-])[C@@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC001601420187 1286742827 /nfs/dbraw/zinc/74/28/27/1286742827.db2.gz UAHFUHKRQMGAMH-LLVKDONJSA-N -2 0 370.408 0.724 20 0 FCADRL O=C([O-])[C@@H](CNC(=O)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)C1CCC1 ZINC001601450501 1286753996 /nfs/dbraw/zinc/75/39/96/1286753996.db2.gz LQNVKWUGRHXPQJ-GJZGRUSLSA-N -2 0 374.393 0.814 20 0 FCADRL O=C([O-])[C@H]1CC(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])=NN1c1ccccc1 ZINC001601750714 1286821379 /nfs/dbraw/zinc/82/13/79/1286821379.db2.gz KCDBECASCQBWSL-MCIONIFRSA-N -2 0 361.354 0.142 20 0 FCADRL O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001601853888 1286854454 /nfs/dbraw/zinc/85/44/54/1286854454.db2.gz CSLUSXHUIWIDIM-VIFPVBQESA-N -2 0 367.301 0.735 20 0 FCADRL COc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]C(=O)[C@]1(C)CCCO1 ZINC001609338525 1289107315 /nfs/dbraw/zinc/10/73/15/1289107315.db2.gz GCYABHOIFBABAO-AWEZNQCLSA-N -2 0 367.387 0.249 20 0 FCADRL O=C([O-])CCC1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC001601976930 1286891644 /nfs/dbraw/zinc/89/16/44/1286891644.db2.gz QJLDSLAVHVOINA-CYBMUJFWSA-N -2 0 354.403 0.707 20 0 FCADRL O=C([O-])CCN(Cc1ccc(F)c(F)c1)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001602007113 1286895146 /nfs/dbraw/zinc/89/51/46/1286895146.db2.gz LLWQXXXHOBYBGE-CYBMUJFWSA-N -2 0 356.325 0.927 20 0 FCADRL O=C([O-])CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC001602024564 1286907933 /nfs/dbraw/zinc/90/79/33/1286907933.db2.gz KVZDMJAZRCPCCE-UHFFFAOYSA-N -2 0 352.162 0.900 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC001602028576 1286908793 /nfs/dbraw/zinc/90/87/93/1286908793.db2.gz VLPMMXSUEBONSU-SECBINFHSA-N -2 0 374.802 0.614 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC001602028577 1286908989 /nfs/dbraw/zinc/90/89/89/1286908989.db2.gz VLPMMXSUEBONSU-VIFPVBQESA-N -2 0 374.802 0.614 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@@H](c1ccccc1F)N1CCOCC1 ZINC001602028601 1286909044 /nfs/dbraw/zinc/90/90/44/1286909044.db2.gz WNHICJYTCRZWHP-CQSZACIVSA-N -2 0 374.390 0.120 20 0 FCADRL O=C([O-])CN(Cc1cccc(F)c1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001602058868 1286915081 /nfs/dbraw/zinc/91/50/81/1286915081.db2.gz NNAPFZALJCWTGO-UHFFFAOYSA-N -2 0 374.390 0.754 20 0 FCADRL O=C([O-])COC1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC001602076341 1286928306 /nfs/dbraw/zinc/92/83/06/1286928306.db2.gz VAIFQEYVRSUXGX-UHFFFAOYSA-N -2 0 361.347 0.778 20 0 FCADRL O=C([O-])CNC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC001602075211 1286928648 /nfs/dbraw/zinc/92/86/48/1286928648.db2.gz WAKRZAKMKKWZIY-LBPRGKRZSA-N -2 0 370.383 0.033 20 0 FCADRL O=C([O-])CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C(=O)[O-])C2CC2)c1 ZINC001602075221 1286929338 /nfs/dbraw/zinc/92/93/38/1286929338.db2.gz LEUIWRZVXHBBED-LBPRGKRZSA-N -2 0 356.356 0.099 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1 ZINC001602096610 1286933478 /nfs/dbraw/zinc/93/34/78/1286933478.db2.gz AUKXFELRKIJMMK-UHFFFAOYSA-N -2 0 368.289 0.261 20 0 FCADRL O=C([O-])Cc1cccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@]3(CCOC3)C2)c1 ZINC001602141317 1286947365 /nfs/dbraw/zinc/94/73/65/1286947365.db2.gz DDANOLMZNVATSF-XJKSGUPXSA-N -2 0 369.395 0.426 20 0 FCADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cn1 ZINC001602163550 1286952610 /nfs/dbraw/zinc/95/26/10/1286952610.db2.gz JBNVBRMRNDHRCN-UHFFFAOYSA-N -3 0 361.282 0.745 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCN(C(=O)c3ccoc3)CC2)on1 ZINC001602294061 1286984596 /nfs/dbraw/zinc/98/45/96/1286984596.db2.gz UZZQFANETZJBPB-UHFFFAOYSA-N -2 0 369.355 0.549 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CS(=O)(=O)c3ccccc32)on1 ZINC001602293234 1286984665 /nfs/dbraw/zinc/98/46/65/1286984665.db2.gz LIAIQZOANSNKCK-VIFPVBQESA-N -2 0 358.353 0.180 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CC(=O)N(c3ccccc3F)C2)on1 ZINC001602294616 1286985534 /nfs/dbraw/zinc/98/55/34/1286985534.db2.gz LDMVUCKKVAIYFJ-QMMMGPOBSA-N -2 0 369.330 0.596 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CCOc2ccc3c(c2)OCO3)on1 ZINC001602296051 1286986005 /nfs/dbraw/zinc/98/60/05/1286986005.db2.gz KGZYZNWSMNPTNJ-UHFFFAOYSA-N -2 0 356.312 0.459 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CC2CCN(CC(F)F)CC2)on1 ZINC001602295706 1286986538 /nfs/dbraw/zinc/98/65/38/1286986538.db2.gz DOCDKFDARRDXHL-UHFFFAOYSA-N -2 0 353.347 0.628 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1 ZINC001602353631 1286990519 /nfs/dbraw/zinc/99/05/19/1286990519.db2.gz CRRQFVXSBZKSND-VXGBXAGGSA-N -3 0 371.367 0.322 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)s1 ZINC001602393212 1286993285 /nfs/dbraw/zinc/99/32/85/1286993285.db2.gz PQLMKVIWBBIUHW-RNFRBKRXSA-N -3 0 363.369 0.242 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2n[nH]nc2C(=O)N2CCCC2)c1 ZINC001602452628 1287003916 /nfs/dbraw/zinc/00/39/16/1287003916.db2.gz NYIYXLRMELXRTG-UHFFFAOYSA-N -2 0 365.371 0.540 20 0 FCADRL O=C([O-])c1ccnc(S(=O)(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)c1 ZINC001602487007 1287009629 /nfs/dbraw/zinc/00/96/29/1287009629.db2.gz XNNNKNQBDMQBCR-UHFFFAOYSA-N -2 0 368.371 0.228 20 0 FCADRL O=C([O-])c1csc(S(=O)(=O)N2CC3(CCOCC3)[C@@H]2C(=O)[O-])c1 ZINC001602563887 1287027654 /nfs/dbraw/zinc/02/76/54/1287027654.db2.gz NNMMMISMPUJQKL-JTQLQIEISA-N -2 0 361.397 0.701 20 0 FCADRL O=C([O-])[C@@]1(O)CCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC001602629070 1287039613 /nfs/dbraw/zinc/03/96/13/1287039613.db2.gz GKUCCLMXKSNQNQ-OAHLLOKOSA-N -2 0 351.746 0.893 20 0 FCADRL CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC ZINC001604884245 1287806744 /nfs/dbraw/zinc/80/67/44/1287806744.db2.gz LMHOKMPQLWBDQE-LURJTMIESA-N -2 0 365.385 0.717 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)C1=O ZINC001605134668 1287892735 /nfs/dbraw/zinc/89/27/35/1287892735.db2.gz DZIYEGMQKCFYRM-CYBMUJFWSA-N -2 0 359.335 0.438 20 0 FCADRL CCOC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])C1 ZINC001605551348 1287998060 /nfs/dbraw/zinc/99/80/60/1287998060.db2.gz QNXPFAGRAGTNCI-AXFHLTTASA-N -2 0 364.420 0.410 20 0 FCADRL Cc1cc(S(=O)(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)ccc1-c1nn[nH]n1 ZINC001605751362 1288070709 /nfs/dbraw/zinc/07/07/09/1288070709.db2.gz HMLMOEXDYDMKBQ-VHSXEESVSA-N -2 0 351.388 0.707 20 0 FCADRL CN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@H](COC1CCC1)C(=O)[O-] ZINC001605987074 1288120911 /nfs/dbraw/zinc/12/09/11/1288120911.db2.gz XIKQEVXECOPTTA-LLVKDONJSA-N -2 0 362.342 0.530 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@]2(C(=O)[O-])CCSC2)c1 ZINC001606042251 1288144773 /nfs/dbraw/zinc/14/47/73/1288144773.db2.gz FEHIALVNHZPKOT-CQSZACIVSA-N -2 0 374.440 0.333 20 0 FCADRL CN=[S@@](C)(=O)c1cccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])c1 ZINC001606259187 1288239630 /nfs/dbraw/zinc/23/96/30/1288239630.db2.gz BHNBLHARSAQMMY-QFIPXVFZSA-N -2 0 358.401 0.995 20 0 FCADRL CNS(=O)(=O)CCNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001606301476 1288258859 /nfs/dbraw/zinc/25/88/59/1288258859.db2.gz IJVRHPARZXZSQB-UHFFFAOYSA-N -2 0 374.799 0.005 20 0 FCADRL O=C(/C=C\[C@H]1CCOC1)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001606480755 1288340223 /nfs/dbraw/zinc/34/02/23/1288340223.db2.gz RPKBBBVZAKVJLC-IYABHPQVSA-N -2 0 357.330 0.251 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NC2([C@@H](C)C(=O)[O-])CC2)c1 ZINC001606532192 1288367485 /nfs/dbraw/zinc/36/74/85/1288367485.db2.gz ZDWQWKLZMZTTMM-QMMMGPOBSA-N -2 0 371.367 0.703 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)CC(C)(C)C(=O)[O-] ZINC001606583889 1288396947 /nfs/dbraw/zinc/39/69/47/1288396947.db2.gz WULQHAMLICUTLC-UHFFFAOYSA-N -2 0 373.383 0.903 20 0 FCADRL COC(=O)c1ccoc1S(=O)(=O)[N-][C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001606622820 1288414578 /nfs/dbraw/zinc/41/45/78/1288414578.db2.gz FUEBBZZEDKZWBY-GXSJLCMTSA-N -2 0 361.372 0.614 20 0 FCADRL CO[C@](C)(C(=O)[O-])C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001606652926 1288424704 /nfs/dbraw/zinc/42/47/04/1288424704.db2.gz OVOORSQKSWYERL-GTNSWQLSSA-N -2 0 350.371 0.912 20 0 FCADRL CO[C@@H](C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCCC1)C(=O)[O-])C1CC1 ZINC001606668616 1288431120 /nfs/dbraw/zinc/43/11/20/1288431120.db2.gz NKPNKSMVOCYELM-RYUDHWBXSA-N -2 0 363.432 0.819 20 0 FCADRL COC1(C[C@H](NS(=O)(=O)c2scnc2C(=O)[O-])C(=O)[O-])CCC1 ZINC001606714135 1288463386 /nfs/dbraw/zinc/46/33/86/1288463386.db2.gz FLOHNSHYALWMOV-ZETCQYMHSA-N -2 0 364.401 0.532 20 0 FCADRL COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001606777293 1288508009 /nfs/dbraw/zinc/50/80/09/1288508009.db2.gz OCUCCMXWLDJYGA-SECBINFHSA-N -2 0 351.764 0.758 20 0 FCADRL COCC1(C(=O)[O-])CCN(S(=O)(=O)c2csc(C(=O)[O-])c2)CC1 ZINC001606834669 1288534766 /nfs/dbraw/zinc/53/47/66/1288534766.db2.gz VRPXFSRWFSBCDP-UHFFFAOYSA-N -2 0 363.413 0.948 20 0 FCADRL COCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-])C(=O)[O-] ZINC001606862700 1288541738 /nfs/dbraw/zinc/54/17/38/1288541738.db2.gz CBYLFIBFBYPUDP-SECBINFHSA-N -2 0 351.764 0.806 20 0 FCADRL COCc1nc([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)sc1C(=O)[O-] ZINC001606978235 1288580492 /nfs/dbraw/zinc/58/04/92/1288580492.db2.gz UEYWMVMOXNGKQQ-ZCFIWIBFSA-N -2 0 351.406 0.206 20 0 FCADRL O=S(=O)(CCOCC1CC1)[N-]c1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001607061545 1288632434 /nfs/dbraw/zinc/63/24/34/1288632434.db2.gz RJHMDMYDPMQHHS-UHFFFAOYSA-N -2 0 353.408 0.636 20 0 FCADRL O=S(=O)([N-]c1ccccc1-n1cnc(-c2nnn[n-]2)n1)c1ccoc1 ZINC001607068843 1288641561 /nfs/dbraw/zinc/64/15/61/1288641561.db2.gz CSGNSKZYFRWKOU-UHFFFAOYSA-N -2 0 358.343 0.841 20 0 FCADRL O=c1cc(CN[C@H](CO)c2ccccc2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001607107026 1288665478 /nfs/dbraw/zinc/66/54/78/1288665478.db2.gz NIBCDPRZSGMYBY-CYBMUJFWSA-N -2 0 352.358 0.438 20 0 FCADRL COc1cc(NC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001607171914 1288678376 /nfs/dbraw/zinc/67/83/76/1288678376.db2.gz ZCGGARZRFGDTFD-NXEZZACHSA-N -2 0 364.354 0.901 20 0 FCADRL COc1ccc(-n2ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])n2)cc1 ZINC001607199385 1288682973 /nfs/dbraw/zinc/68/29/73/1288682973.db2.gz JWFJMDUTMBFZFA-VIFPVBQESA-N -2 0 353.356 0.414 20 0 FCADRL COc1ccc(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)cc1C(=O)[O-] ZINC001607254236 1288689350 /nfs/dbraw/zinc/68/93/50/1288689350.db2.gz PTKPPJIVHIXRGB-LLVKDONJSA-N -2 0 352.343 0.094 20 0 FCADRL COc1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c(C(=O)[O-])c1 ZINC001607269969 1288691192 /nfs/dbraw/zinc/69/11/92/1288691192.db2.gz FBZZKOVUDYNVIL-GXSJLCMTSA-N -2 0 364.354 0.901 20 0 FCADRL COc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c(C(=O)[O-])c1 ZINC001607277193 1288692247 /nfs/dbraw/zinc/69/22/47/1288692247.db2.gz YKCXIDZWAODMGN-UHFFFAOYSA-N -3 0 355.328 0.475 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC3(CCC3)[C@@H]2C(=O)[O-])c(CC(=O)[O-])c1 ZINC001607284488 1288693295 /nfs/dbraw/zinc/69/32/95/1288693295.db2.gz WBMAOTVSPKCYON-AWEZNQCLSA-N -2 0 369.395 0.950 20 0 FCADRL COc1ccc(S(=O)(=O)NCC(C)(C)C(=O)[O-])c(OC)c1C(=O)[O-] ZINC001607286685 1288694044 /nfs/dbraw/zinc/69/40/44/1288694044.db2.gz MLJBSPPUPNYZDN-UHFFFAOYSA-N -2 0 361.372 0.791 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cnn1-c1ccc(F)cc1 ZINC001607509166 1288721377 /nfs/dbraw/zinc/72/13/77/1288721377.db2.gz UJTSWLAKHMZNLS-UHFFFAOYSA-N -2 0 355.347 0.854 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])nn1C1CCOCC1 ZINC001607579785 1288727155 /nfs/dbraw/zinc/72/71/55/1288727155.db2.gz HHXUYAZHVSPWQX-WDEREUQCSA-N -2 0 373.431 0.712 20 0 FCADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)[O-] ZINC001607598357 1288729653 /nfs/dbraw/zinc/72/96/53/1288729653.db2.gz WRZLMBSFIZVDGI-NSHDSACASA-N -2 0 357.384 0.946 20 0 FCADRL Cc1cc(S(C)(=O)=O)cc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c1C ZINC001607709851 1288735593 /nfs/dbraw/zinc/73/55/93/1288735593.db2.gz TYKGLSOIDRIYNQ-UHFFFAOYSA-N -2 0 363.413 0.241 20 0 FCADRL Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cc1C(=O)[O-] ZINC001607817668 1288739972 /nfs/dbraw/zinc/73/99/72/1288739972.db2.gz AIVYUDAGCTUDNT-GFCCVEGCSA-N -2 0 353.356 0.531 20 0 FCADRL Cc1csc(CCC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC001607930078 1288748324 /nfs/dbraw/zinc/74/83/24/1288748324.db2.gz FTJBGFWJZRWATB-UHFFFAOYSA-N -2 0 361.445 0.542 20 0 FCADRL Cc1nc(CCNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)sc1C(=O)[O-] ZINC001607954760 1288751800 /nfs/dbraw/zinc/75/18/00/1288751800.db2.gz SBGCCEUOHHBSAN-UHFFFAOYSA-N -2 0 373.412 0.707 20 0 FCADRL Cc1nn(C)c(Br)c1C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001607996867 1288756847 /nfs/dbraw/zinc/75/68/47/1288756847.db2.gz QMSHCMWKDSELJH-YFKPBYRVSA-N -2 0 354.182 0.024 20 0 FCADRL Cn1cc(C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])s2)C(=O)[O-])cn1 ZINC001608110939 1288770541 /nfs/dbraw/zinc/77/05/41/1288770541.db2.gz OALFHODOQATMPL-QMMMGPOBSA-N -2 0 359.385 0.154 20 0 FCADRL Cn1cc(N2CCC[C@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])no3)C2)cn1 ZINC001608116291 1288773045 /nfs/dbraw/zinc/77/30/45/1288773045.db2.gz BCWMYOGSVCDPTP-VIFPVBQESA-N -2 0 355.376 0.054 20 0 FCADRL NC(=O)CO[N-]C(=O)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001608235152 1288797959 /nfs/dbraw/zinc/79/79/59/1288797959.db2.gz ATZJZSFACIIOQE-UHFFFAOYSA-N -2 0 355.372 0.187 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCS(=O)(=O)C2)c1 ZINC001608297815 1288814392 /nfs/dbraw/zinc/81/43/92/1288814392.db2.gz VPCSOYXETKWRAY-SECBINFHSA-N -2 0 361.397 0.015 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)CSCC(F)(F)F ZINC001608353905 1288828446 /nfs/dbraw/zinc/82/84/46/1288828446.db2.gz FNAKJIYUPZTZLI-UHFFFAOYSA-N -2 0 364.348 0.942 20 0 FCADRL O=C([O-])[C@@H]1[C@H](CNC(=O)c2nc[n-]c(=O)c2Br)C1(F)F ZINC001608462487 1288846064 /nfs/dbraw/zinc/84/60/64/1288846064.db2.gz UYOOQSMKOIHMRN-IMJSIDKUSA-N -2 0 352.091 0.640 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)[C@H](F)Cc2ccccc2)CC1 ZINC001608484949 1288848926 /nfs/dbraw/zinc/84/89/26/1288848926.db2.gz VYVSIQNGUQWCGJ-CYBMUJFWSA-N -2 0 358.391 0.725 20 0 FCADRL O=C([O-])c1cc2c(cc1NC(=O)C(=O)[N-]OC1CCOCC1)OCO2 ZINC001608484757 1288849183 /nfs/dbraw/zinc/84/91/83/1288849183.db2.gz QMDHHQIEGKRLHI-UHFFFAOYSA-N -2 0 352.299 0.279 20 0 FCADRL O=C([O-])CCN(CC(=O)[O-])C(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC001608720739 1288869567 /nfs/dbraw/zinc/86/95/67/1288869567.db2.gz BLVQDGDSOABPDD-MRXNPFEDSA-N -2 0 368.361 0.587 20 0 FCADRL O=C([O-])c1cc(F)ccc1S(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC001608852084 1288874904 /nfs/dbraw/zinc/87/49/04/1288874904.db2.gz YWBBVBSANDKRGN-UFBFGSQYSA-N -2 0 361.347 0.370 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cs1 ZINC001608859382 1288876167 /nfs/dbraw/zinc/87/61/67/1288876167.db2.gz QVIZVLMDHVXPEG-ZETCQYMHSA-N -2 0 358.401 0.838 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CC(=O)c3ccccc3O2)on1 ZINC001608860936 1288877082 /nfs/dbraw/zinc/87/70/82/1288877082.db2.gz HPPWZCLOUMBNTH-QMMMGPOBSA-N -2 0 352.324 0.685 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)[O-])s1 ZINC001608910872 1288878233 /nfs/dbraw/zinc/87/82/33/1288878233.db2.gz NEJQGWBKTHWBJK-SECBINFHSA-N -2 0 356.381 0.816 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c(F)c1 ZINC001608909557 1288878721 /nfs/dbraw/zinc/87/87/21/1288878721.db2.gz NSKAANUJXUDCHG-SECBINFHSA-N -2 0 370.362 0.916 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])s1 ZINC001608910808 1288879071 /nfs/dbraw/zinc/87/90/71/1288879071.db2.gz KWDFHKZGIFGUSV-SECBINFHSA-N -2 0 362.429 0.664 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)c1 ZINC001608937932 1288879739 /nfs/dbraw/zinc/87/97/39/1288879739.db2.gz ANHSDDJQTJHMCO-UHFFFAOYSA-N -2 0 352.372 0.777 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)c1 ZINC001608931907 1288879900 /nfs/dbraw/zinc/87/99/00/1288879900.db2.gz BAOLTQAVQDLEEZ-UHFFFAOYSA-N -2 0 366.399 0.918 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)c2cnc3nccnc3c2)c1 ZINC001608932424 1288880212 /nfs/dbraw/zinc/88/02/12/1288880212.db2.gz IKHBZXYYWUQTFW-UHFFFAOYSA-N -2 0 372.362 0.983 20 0 FCADRL CC(C)CO[C@H](C)C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001609096584 1288916349 /nfs/dbraw/zinc/91/63/49/1288916349.db2.gz JZVBHOIJHPQLGP-SECBINFHSA-N -2 0 361.362 0.719 20 0 FCADRL CC1(C)CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)[C@@H]1C(=O)[O-] ZINC001609145311 1288947320 /nfs/dbraw/zinc/94/73/20/1288947320.db2.gz JXXRCRARMMVDNU-SNVBAGLBSA-N -2 0 355.376 0.724 20 0 FCADRL O=C([O-])CC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001609572441 1289234856 /nfs/dbraw/zinc/23/48/56/1289234856.db2.gz XSTRROUCELBCLP-VIFPVBQESA-N -2 0 355.376 0.725 20 0 FCADRL O=C(OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@@H]1CC1(Cl)Cl ZINC001609575940 1289236761 /nfs/dbraw/zinc/23/67/61/1289236761.db2.gz QQISUJCPRMVDHL-ZETCQYMHSA-N -2 0 370.156 0.852 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC001609624669 1289267535 /nfs/dbraw/zinc/26/75/35/1289267535.db2.gz JLPZKUJJEUXYHV-UHFFFAOYSA-N -2 0 363.351 0.857 20 0 FCADRL CC(=O)Nc1ccc(CC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])cc1 ZINC001609624225 1289267657 /nfs/dbraw/zinc/26/76/57/1289267657.db2.gz YZFWJKXPWRGICU-VHSXEESVSA-N -2 0 356.400 0.743 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCNC(=O)c1ccccc1 ZINC001609638187 1289269859 /nfs/dbraw/zinc/26/98/59/1289269859.db2.gz BQSYZDDMNAMANM-VXGBXAGGSA-N -2 0 370.427 0.752 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)c1 ZINC001609639288 1289270714 /nfs/dbraw/zinc/27/07/14/1289270714.db2.gz UXDCAUQVQDXXQI-NEPJUHHUSA-N -2 0 365.411 0.970 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(F)cc1 ZINC001609638960 1289270769 /nfs/dbraw/zinc/27/07/69/1289270769.db2.gz OSEGZDUOCKLYPT-VHSXEESVSA-N -2 0 374.390 0.501 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCn1c(=O)oc2ccccc21 ZINC001609642376 1289271476 /nfs/dbraw/zinc/27/14/76/1289271476.db2.gz PMMRUUOFFWCAPM-VIFPVBQESA-N -2 0 356.356 0.294 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC001609644354 1289272089 /nfs/dbraw/zinc/27/20/89/1289272089.db2.gz YFENOJOBDGTEBZ-JTQLQIEISA-N -2 0 363.395 0.894 20 0 FCADRL CC(C)Cn1cc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])cn1 ZINC001609703197 1289282082 /nfs/dbraw/zinc/28/20/82/1289282082.db2.gz PLASQRYKOQNQBP-UHFFFAOYSA-N -2 0 358.401 0.813 20 0 FCADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC001609732044 1289287589 /nfs/dbraw/zinc/28/75/89/1289287589.db2.gz XNMFSZDXPNVOKC-SSDOTTSWSA-N -2 0 358.347 0.626 20 0 FCADRL CC1(C)CN(S(=O)(=O)Cc2ccccc2C(=O)[O-])[C@H](C(=O)[O-])CO1 ZINC001609819370 1289304764 /nfs/dbraw/zinc/30/47/64/1289304764.db2.gz VXCMIQAXWLLLHK-LBPRGKRZSA-N -2 0 357.384 0.779 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC001609873881 1289321238 /nfs/dbraw/zinc/32/12/38/1289321238.db2.gz GHJQIVFDCKXIGQ-DNSOKLHBSA-N -2 0 361.347 0.775 20 0 FCADRL CCC[C@H](O)[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)C(=O)[O-] ZINC001609958323 1289333820 /nfs/dbraw/zinc/33/38/20/1289333820.db2.gz PDQAUDRQPARDCF-QWRGUYRKSA-N -2 0 365.791 0.931 20 0 FCADRL CCCS(=O)(=O)[N-]C(=O)[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C ZINC001609981657 1289336433 /nfs/dbraw/zinc/33/64/33/1289336433.db2.gz OXWLVGVOEOAANC-VIFPVBQESA-N -2 0 352.409 0.601 20 0 FCADRL CCN1CCN(c2ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc2F)CC1 ZINC001610009425 1289343120 /nfs/dbraw/zinc/34/31/20/1289343120.db2.gz UNOUZZTUZZLJAF-UHFFFAOYSA-N -2 0 373.406 0.112 20 0 FCADRL CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1 ZINC001610019745 1289346657 /nfs/dbraw/zinc/34/66/57/1289346657.db2.gz VXIBEJUURKXHPL-UHFFFAOYSA-N -2 0 367.383 0.874 20 0 FCADRL CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001610028081 1289351123 /nfs/dbraw/zinc/35/11/23/1289351123.db2.gz DAFNKJSGBDVDMS-NEPJUHHUSA-N -2 0 357.384 0.552 20 0 FCADRL CCc1ccccc1-n1cc([O-])c(C(=O)NCCn2cc(C(=O)[O-])nn2)n1 ZINC001610067003 1289362369 /nfs/dbraw/zinc/36/23/69/1289362369.db2.gz GKDVRBFMAKYKHU-UHFFFAOYSA-N -2 0 370.369 0.860 20 0 FCADRL CCc1nn(C)c(CC)c1CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-] ZINC001610072418 1289363043 /nfs/dbraw/zinc/36/30/43/1289363043.db2.gz DDRKOZHZUBXVKW-UWVGGRQHSA-N -2 0 359.448 0.643 20 0 FCADRL CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)CC2(C(=O)[O-])CCCCC2)n1 ZINC001610094707 1289369935 /nfs/dbraw/zinc/36/99/35/1289369935.db2.gz YPUJTODDJXPNKZ-UHFFFAOYSA-N -2 0 372.447 0.748 20 0 FCADRL COC(=O)c1cc(NC(=O)CN2CCC[C@@H]2C(=O)[O-])cc(C(=O)[O-])c1 ZINC001610203258 1289425424 /nfs/dbraw/zinc/42/54/24/1289425424.db2.gz SQBNGUFSMDCMES-GFCCVEGCSA-N -2 0 350.327 0.659 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC001610208544 1289426618 /nfs/dbraw/zinc/42/66/18/1289426618.db2.gz HGLGDIXTXAZBLE-WCBMZHEXSA-N -2 0 371.367 0.703 20 0 FCADRL COCc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001610274788 1289447284 /nfs/dbraw/zinc/44/72/84/1289447284.db2.gz JGBIFAJTPPWULR-UHFFFAOYSA-N -2 0 359.385 0.445 20 0 FCADRL COc1cc(CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc(OC)c1OC ZINC001610293834 1289453524 /nfs/dbraw/zinc/45/35/24/1289453524.db2.gz IWRKKRPHNCIVKD-MRVPVSSYSA-N -2 0 361.372 0.174 20 0 FCADRL COc1ccc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)c(C(=O)[O-])c1 ZINC001610341188 1289463304 /nfs/dbraw/zinc/46/33/04/1289463304.db2.gz USBWMFSTSYUTHH-INIZCTEOSA-N -2 0 350.327 0.655 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1 ZINC001610359546 1289468801 /nfs/dbraw/zinc/46/88/01/1289468801.db2.gz CWTXEMWXCMWVFD-YMXBGEKHSA-N -2 0 368.455 0.810 20 0 FCADRL CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])ccc1Cl ZINC001610376743 1289474636 /nfs/dbraw/zinc/47/46/36/1289474636.db2.gz SAOVFQKDJUQYJR-UHFFFAOYSA-N -2 0 369.804 0.278 20 0 FCADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N(CCO)CC(=O)[O-] ZINC001610416314 1289482963 /nfs/dbraw/zinc/48/29/63/1289482963.db2.gz PPORKIGOEQSOOE-UHFFFAOYSA-N -2 0 351.764 0.414 20 0 FCADRL Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)[N-]OCCCC(=O)[O-] ZINC001610484100 1289494350 /nfs/dbraw/zinc/49/43/50/1289494350.db2.gz SAXDVWHNSKRHNK-UHFFFAOYSA-N -2 0 351.359 0.548 20 0 FCADRL Cc1ccc(NC(=C(F)C(=O)[O-])c2c([O-])[nH]c(=S)[nH]c2=O)cc1F ZINC001610504072 1289496342 /nfs/dbraw/zinc/49/63/42/1289496342.db2.gz GJSLKDREEXLYIZ-SECBINFHSA-N -2 0 355.322 0.754 20 0 FCADRL Cc1cccc([C@H]2CCN(S(=O)(=O)N(C)CCC(=O)[O-])[C@@H]2C(=O)[O-])c1 ZINC001610520379 1289500577 /nfs/dbraw/zinc/50/05/77/1289500577.db2.gz LPSFJMYMCJOTPB-HIFRSBDPSA-N -2 0 370.427 0.889 20 0 FCADRL Cc1cccc([C@@H]2CCN(S(=O)(=O)N(C)CCC(=O)[O-])[C@@H]2C(=O)[O-])c1 ZINC001610520381 1289500852 /nfs/dbraw/zinc/50/08/52/1289500852.db2.gz LPSFJMYMCJOTPB-ZFWWWQNUSA-N -2 0 370.427 0.889 20 0 FCADRL Cc1cccc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)c1C(=O)[O-] ZINC001610526040 1289501422 /nfs/dbraw/zinc/50/14/22/1289501422.db2.gz VIQFSMGAPXXMBP-LBPRGKRZSA-N -2 0 353.356 0.531 20 0 FCADRL Cc1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)[C@@H]2C(=O)[O-])c1C(=O)[O-] ZINC001610525486 1289501756 /nfs/dbraw/zinc/50/17/56/1289501756.db2.gz YWBRJPMOXYKGCF-OUJBWJOFSA-N -2 0 357.384 0.944 20 0 FCADRL Cc1cnn(-c2ccc(C(=O)[O-])cc2NC(=O)C(=O)N[C@@H](C)CC(=O)[O-])c1 ZINC001610541930 1289504315 /nfs/dbraw/zinc/50/43/15/1289504315.db2.gz QTDVHGNNVPMRML-JTQLQIEISA-N -2 0 374.353 0.797 20 0 FCADRL Cn1c(=O)cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c2ccccc21 ZINC001610594351 1289520562 /nfs/dbraw/zinc/52/05/62/1289520562.db2.gz LDMUVBKUMUNFOH-UHFFFAOYSA-N -2 0 352.368 0.463 20 0 FCADRL Cn1cc(-c2nn(C)cc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cn1 ZINC001610600046 1289522857 /nfs/dbraw/zinc/52/28/57/1289522857.db2.gz XJDIITGEUDEFNN-UHFFFAOYSA-N -2 0 362.371 0.715 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2O[C@@H]2CC(=O)N2)cc1C(=O)[O-] ZINC001610606910 1289526193 /nfs/dbraw/zinc/52/61/93/1289526193.db2.gz NPOPONFLCWGAHZ-CQSZACIVSA-N -2 0 365.367 0.749 20 0 FCADRL Cn1ccc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2C(=O)[O-])n1 ZINC001610608920 1289526528 /nfs/dbraw/zinc/52/65/28/1289526528.db2.gz AHQAFRVSPCWYQL-UHFFFAOYSA-N -2 0 359.385 0.323 20 0 FCADRL Cn1ncc2cc(S(=O)(=O)[N-]C(=O)c3cc(C(=O)[O-])co3)cnc21 ZINC001610615032 1289530318 /nfs/dbraw/zinc/53/03/18/1289530318.db2.gz IFJWFNQNSAAQBE-UHFFFAOYSA-N -2 0 350.312 0.378 20 0 FCADRL O=C([O-])c1cnc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCO3)[n-]1 ZINC001610671671 1289548479 /nfs/dbraw/zinc/54/84/79/1289548479.db2.gz IYGQQVKCPHROPB-UHFFFAOYSA-N -2 0 353.312 0.249 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2cnn(CC(=O)NC3CC3)c2)c1 ZINC001610677522 1289549690 /nfs/dbraw/zinc/54/96/90/1289549690.db2.gz GAZLGIPSCRJFNF-UHFFFAOYSA-N -2 0 354.344 0.254 20 0 FCADRL O=C([O-])c1cc2c(cc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)[O-])OCO2 ZINC001610705679 1289562457 /nfs/dbraw/zinc/56/24/57/1289562457.db2.gz UBXGKHPGTZDKIZ-SECBINFHSA-N -2 0 350.283 0.128 20 0 FCADRL O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001610745015 1289576250 /nfs/dbraw/zinc/57/62/50/1289576250.db2.gz OEQSBJZJWBOSFM-CYBMUJFWSA-N -2 0 356.400 0.313 20 0 FCADRL O=C([O-])CCCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001610769070 1289585050 /nfs/dbraw/zinc/58/50/50/1289585050.db2.gz CCTXFQBAQHBHNS-UHFFFAOYSA-N -2 0 358.372 0.034 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccccc1CN1CCOCC1 ZINC001610771715 1289586833 /nfs/dbraw/zinc/58/68/33/1289586833.db2.gz UUVUFIACMLKYKG-UHFFFAOYSA-N -2 0 370.427 0.443 20 0 FCADRL O=C([O-])CCNC(=O)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001610779696 1289588964 /nfs/dbraw/zinc/58/89/64/1289588964.db2.gz OEOSDSRATOCGAO-UHFFFAOYSA-N -2 0 359.338 0.342 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001610789274 1289593053 /nfs/dbraw/zinc/59/30/53/1289593053.db2.gz FSZINYPGUJBMNT-JTQLQIEISA-N -2 0 374.802 0.219 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001610789239 1289593262 /nfs/dbraw/zinc/59/32/62/1289593262.db2.gz CLQKHVLPQIXYJA-MRVPVSSYSA-N -2 0 360.775 0.224 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 ZINC001610789317 1289593753 /nfs/dbraw/zinc/59/37/53/1289593753.db2.gz IHVQGCGANDMQBL-UHFFFAOYSA-N -2 0 374.459 0.772 20 0 FCADRL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N3CCCC[C@@H]3CO)cc2)[nH]1 ZINC001610791329 1289594050 /nfs/dbraw/zinc/59/40/50/1289594050.db2.gz AJOSKSDIKWZTMK-OAHLLOKOSA-N -2 0 359.382 0.780 20 0 FCADRL O=C([O-])c1ccc(F)c(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)c1 ZINC001610832165 1289602721 /nfs/dbraw/zinc/60/27/21/1289602721.db2.gz TVBZSINXBFQZBT-JOYOIKCWSA-N -2 0 361.347 0.370 20 0 FCADRL O=C([O-])c1ccc(F)c(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)[O-])c1 ZINC001610831824 1289602554 /nfs/dbraw/zinc/60/25/54/1289602554.db2.gz BIUDAMMCYZUNNM-KWQFWETISA-N -2 0 361.347 0.682 20 0 FCADRL O=C([O-])c1ccc(NS(=O)(=O)[N-]C(=O)c2cn(CC3CC3)nn2)cc1 ZINC001610836094 1289603848 /nfs/dbraw/zinc/60/38/48/1289603848.db2.gz YAQKRJQAXBWEQG-UHFFFAOYSA-N -2 0 365.371 0.473 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)c2cnn(CCF)c2)c1 ZINC001610846919 1289605051 /nfs/dbraw/zinc/60/50/51/1289605051.db2.gz JUTHNUJCTGIZQI-UHFFFAOYSA-N -2 0 355.347 0.811 20 0 FCADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]N1C(=O)NC2(CCCCC2)C1=O ZINC001610853362 1289606655 /nfs/dbraw/zinc/60/66/55/1289606655.db2.gz DUKBUWUWMGPVPV-UHFFFAOYSA-N -2 0 367.383 0.833 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)c1cnn2cccnc12 ZINC001610871716 1289614245 /nfs/dbraw/zinc/61/42/45/1289614245.db2.gz ROGXTSDZBXKMDG-UHFFFAOYSA-N -2 0 353.341 0.003 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001610876242 1289616152 /nfs/dbraw/zinc/61/61/52/1289616152.db2.gz HEUVBUDYDPNDPJ-UHFFFAOYSA-N -2 0 358.401 0.838 20 0 FCADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CCC(=O)[O-])CN1CCOCC1 ZINC001119061964 847699050 /nfs/dbraw/zinc/69/90/50/847699050.db2.gz YSNMCGILHBIMPQ-ZJUUUORDSA-N -2 0 362.370 0.422 20 0 FCADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CCC(=O)[O-])CN1CCOCC1 ZINC001119061963 847699107 /nfs/dbraw/zinc/69/91/07/847699107.db2.gz YSNMCGILHBIMPQ-VHSXEESVSA-N -2 0 362.370 0.422 20 0 FCADRL COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1sc(C(=O)[O-])c2c1OCCO2 ZINC001152707677 849721720 /nfs/dbraw/zinc/72/17/20/849721720.db2.gz IQQQCMPOXLZOBK-LURJTMIESA-N -2 0 373.339 0.354 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)N3CC[C@H](c4nnn[n-]4)C3)cc2[n-]c1=S ZINC001153000868 849731060 /nfs/dbraw/zinc/73/10/60/849731060.db2.gz GMCHMYSCBBHJOQ-VIFPVBQESA-N -2 0 357.399 0.365 20 0 FCADRL CCOC(=O)c1cnc(NCCOP(=O)([O-])[O-])cc1C(=O)OCC ZINC001157795968 849996045 /nfs/dbraw/zinc/99/60/45/849996045.db2.gz ZXAJHXXMDCRARZ-UHFFFAOYSA-N -2 0 362.275 0.956 20 0 FCADRL CCOC(=O)N(CC(=O)NCCOP(=O)([O-])[O-])Cc1ccco1 ZINC001178471573 850901470 /nfs/dbraw/zinc/90/14/70/850901470.db2.gz JESHHWYRYJIKBG-UHFFFAOYSA-N -2 0 350.264 0.464 20 0 FCADRL CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(C(=O)NCCOP(=O)([O-])[O-])C1 ZINC001179284684 850967266 /nfs/dbraw/zinc/96/72/66/850967266.db2.gz YWRYLDWETWEFPV-IINYFYTJSA-N -2 0 364.335 0.859 20 0 FCADRL CC(C)(C)OC(=O)N1C[C@H]2C[C@H]2[C@@H]1C(=O)NCCOP(=O)([O-])[O-] ZINC001180993998 851081433 /nfs/dbraw/zinc/08/14/33/851081433.db2.gz WNMGGYHISOGRFF-OPRDCNLKSA-N -2 0 350.308 0.467 20 0 FCADRL CC(C)(C)OC(=O)NCC1CC(C(=O)NCCOP(=O)([O-])[O-])C1 ZINC001184839889 851322738 /nfs/dbraw/zinc/32/27/38/851322738.db2.gz FVUGGTDSSVWHLK-UHFFFAOYSA-N -2 0 352.324 0.763 20 0 FCADRL CCOC(=O)c1sc(S(=O)(=O)[N-][C@@H]2SC(=O)[N-]C2=O)nc1C ZINC001184977092 851329749 /nfs/dbraw/zinc/32/97/49/851329749.db2.gz ZOSWZGAQUSBWPF-SSDOTTSWSA-N -2 0 365.414 0.216 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2ncn(C)c3ncnc2-3)cc1C(=O)[O-] ZINC001185259537 851345644 /nfs/dbraw/zinc/34/56/44/851345644.db2.gz KCEZNGGPMHYIOX-UHFFFAOYSA-N -2 0 363.355 0.823 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2ncccc2C(N)=O)cc1C(=O)[O-] ZINC001185269327 851348561 /nfs/dbraw/zinc/34/85/61/851348561.db2.gz JJGMYPLETALLMN-UHFFFAOYSA-N -2 0 351.340 0.688 20 0 FCADRL O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1cccc([S-])c1 ZINC001186163555 851415845 /nfs/dbraw/zinc/41/58/45/851415845.db2.gz SEWNLEADQWVJER-ZDUSSCGKSA-N -2 0 362.411 0.630 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)NCC[N-]C(=O)C(F)(F)F)ccc1F ZINC001186201610 851417992 /nfs/dbraw/zinc/41/79/92/851417992.db2.gz FENKXKKOLMQUOT-UHFFFAOYSA-N -2 0 358.269 0.481 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@@H]2SC(=O)[N-]C2=O)ccc1Cl ZINC001188321203 851668740 /nfs/dbraw/zinc/66/87/40/851668740.db2.gz ILHOWAHAMPZZJB-MRVPVSSYSA-N -2 0 350.761 0.626 20 0 FCADRL C[C@H]1[C@H](NC(=O)c2ccc([O-])c(C(F)(F)F)c2)C(=O)N1S(=O)(=O)[O-] ZINC001188590038 851713333 /nfs/dbraw/zinc/71/33/33/851713333.db2.gz ZMYUHOUIDXPHLG-CDUCUWFYSA-N -2 0 368.289 0.543 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1ccn(-c2ccc3ccccn32)n1 ZINC001188932958 851735177 /nfs/dbraw/zinc/73/51/77/851735177.db2.gz CVYSZTCWZUOSGK-UHFFFAOYSA-N -2 0 350.271 0.964 20 0 FCADRL COC(=O)CN1CCN(C(=O)c2ccccc2OP(=O)([O-])[O-])CC1 ZINC001189877385 851834058 /nfs/dbraw/zinc/83/40/58/851834058.db2.gz PODYHTCHLZFOAA-UHFFFAOYSA-N -2 0 358.287 0.089 20 0 FCADRL CCOC(=O)[C@@H]1COCCN1C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189886244 851836960 /nfs/dbraw/zinc/83/69/60/851836960.db2.gz CFKZVMDECVKHLG-NSHDSACASA-N -2 0 359.271 0.562 20 0 FCADRL CC(=O)OCN1CCC(NC(=O)c2ccccc2OP(=O)([O-])[O-])CC1 ZINC001189898707 851838686 /nfs/dbraw/zinc/83/86/86/851838686.db2.gz FVKBMQYSMJTYII-UHFFFAOYSA-N -2 0 372.314 0.873 20 0 FCADRL CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189899655 851838783 /nfs/dbraw/zinc/83/87/83/851838783.db2.gz SIRMVNXGBVSKHX-PWSUYJOCSA-N -2 0 373.298 0.856 20 0 FCADRL C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(C(=O)[O-])cc(S(=O)(=O)[O-])c3)C[C@H]21 ZINC001189924876 851844843 /nfs/dbraw/zinc/84/48/43/851844843.db2.gz UERIFKDCXBWHLC-QMTHXVAHSA-N -2 0 368.411 0.798 20 0 FCADRL Cc1c[nH]c(CCNC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)n1 ZINC001189933382 851845207 /nfs/dbraw/zinc/84/52/07/851845207.db2.gz IXIYALJTQUBCDE-UHFFFAOYSA-N -2 0 353.356 0.636 20 0 FCADRL CCC(=O)N1CC[C@H](NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)C1 ZINC001189941286 851846283 /nfs/dbraw/zinc/84/62/83/851846283.db2.gz HSNNVCAVYAGSHE-NSHDSACASA-N -2 0 370.383 0.372 20 0 FCADRL COc1cncc(CNC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)c1 ZINC001189941342 851846998 /nfs/dbraw/zinc/84/69/98/851846998.db2.gz JEPGMIZJLNCJNM-UHFFFAOYSA-N -2 0 366.351 0.965 20 0 FCADRL CN(C)C(=O)C12CC(NC(=O)c3ccccc3OP(=O)([O-])[O-])(C1)C2 ZINC001278366827 862306596 /nfs/dbraw/zinc/30/65/96/862306596.db2.gz ROLMUDUXGWEXIO-UHFFFAOYSA-N -2 0 354.299 0.899 20 0 FCADRL CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccncc2)cc1 ZINC001190844966 851971152 /nfs/dbraw/zinc/97/11/52/851971152.db2.gz AKIUAVCRNPYMBX-UHFFFAOYSA-N -2 0 355.397 0.707 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1ccnc(OCC2CCOCC2)c1 ZINC001191885930 852149165 /nfs/dbraw/zinc/14/91/65/852149165.db2.gz LJUASRXIALSFRC-UHFFFAOYSA-N -2 0 360.303 0.726 20 0 FCADRL NC(=O)c1ncc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 ZINC001192109626 852182829 /nfs/dbraw/zinc/18/28/29/852182829.db2.gz HYZQEQPMZDRNLL-UHFFFAOYSA-N -2 0 350.356 0.394 20 0 FCADRL COC(=O)c1ccnnc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192685806 852275314 /nfs/dbraw/zinc/27/53/14/852275314.db2.gz SKCDVBIXWMOEGZ-UHFFFAOYSA-N -2 0 367.339 0.527 20 0 FCADRL COc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)nc(OC)n1 ZINC001192683389 852275348 /nfs/dbraw/zinc/27/53/48/852275348.db2.gz OEPAQZCHCMWVDZ-UHFFFAOYSA-N -2 0 369.355 0.758 20 0 FCADRL NC(=O)c1cncc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001192682997 852275727 /nfs/dbraw/zinc/27/57/27/852275727.db2.gz ISBMVACCBWTCAW-UHFFFAOYSA-N -2 0 351.340 0.445 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC001193262855 852399502 /nfs/dbraw/zinc/39/95/02/852399502.db2.gz VNUVKHNLNOGYME-SNVBAGLBSA-N -2 0 364.445 0.563 20 0 FCADRL O=P([O-])([O-])OCCNS(=O)(=O)c1ncccc1C(F)(F)F ZINC001194586858 852618329 /nfs/dbraw/zinc/61/83/29/852618329.db2.gz SSRDAIWIUIYLAH-UHFFFAOYSA-N -2 0 350.211 0.488 20 0 FCADRL CCOC(=O)CS(=O)(=O)[N-]c1cc(S(=O)(=O)[O-])ccc1Cl ZINC001195977051 852858482 /nfs/dbraw/zinc/85/84/82/852858482.db2.gz SPQQIZJYAZRSSX-UHFFFAOYSA-N -2 0 357.793 0.892 20 0 FCADRL CN(CCO)c1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])ncn1 ZINC001198740480 853310745 /nfs/dbraw/zinc/31/07/45/853310745.db2.gz HNGHTODACZCCQI-UHFFFAOYSA-N -2 0 352.372 0.404 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1C(=O)[O-])c1ccccn1 ZINC001198798440 853321595 /nfs/dbraw/zinc/32/15/95/853321595.db2.gz BAUJINHLSTUNMC-ZDUSSCGKSA-N -2 0 350.352 0.972 20 0 FCADRL CCOC(=O)c1cccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001223283540 856907118 /nfs/dbraw/zinc/90/71/18/856907118.db2.gz VIKITTWBCIREGE-DGCLKSJQSA-N -2 0 354.311 0.443 20 0 FCADRL CCOC(=O)[C@H](OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1ccccc1 ZINC001223617793 856932765 /nfs/dbraw/zinc/93/27/65/856932765.db2.gz GXSRIECWVIZYNR-WCFLWFBJSA-N -2 0 354.311 0.370 20 0 FCADRL O=C([O-])C[C@H](C(=O)OCc1cc(-c2cccs2)on1)[C@H](O)C(=O)[O-] ZINC001223659642 856935639 /nfs/dbraw/zinc/93/56/39/856935639.db2.gz SUUJOXWOVIIASB-UFBFGSQYSA-N -2 0 355.324 0.983 20 0 FCADRL COC(=O)c1ccc([C@H](C)OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001223753159 856941190 /nfs/dbraw/zinc/94/11/90/856941190.db2.gz FPEHSKMXFMMLIG-QWRKXWFKSA-N -2 0 354.311 0.614 20 0 FCADRL CCOP(=O)(CCCOC(=O)[C@H](O)COP(=O)([O-])[O-])OCC ZINC001224767851 857000604 /nfs/dbraw/zinc/00/06/04/857000604.db2.gz UZWBZAKFWVZXMI-SECBINFHSA-N -2 0 364.224 0.656 20 0 FCADRL O=C(Oc1cc(Br)ccc1O)[C@H](O)COP(=O)([O-])[O-] ZINC001225700509 857055670 /nfs/dbraw/zinc/05/56/70/857055670.db2.gz NXZRMCMLYAFZFT-SSDOTTSWSA-N -2 0 357.049 0.530 20 0 FCADRL COc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(Br)c1 ZINC001225954771 857073791 /nfs/dbraw/zinc/07/37/91/857073791.db2.gz FVGWJAZKDUJHKB-MRVPVSSYSA-N -2 0 371.076 0.833 20 0 FCADRL COC(=O)c1cc(Cl)ccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001226311283 857097473 /nfs/dbraw/zinc/09/74/73/857097473.db2.gz OUXDOSHUUSXPSZ-LDYMZIIASA-N -2 0 360.702 0.568 20 0 FCADRL COC(=O)c1cc(Cl)ccc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001226311002 857097643 /nfs/dbraw/zinc/09/76/43/857097643.db2.gz IJLCHRDRPBPRSC-MRVPVSSYSA-N -2 0 354.635 0.502 20 0 FCADRL Cc1ncc(Br)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001226864665 857129009 /nfs/dbraw/zinc/12/90/09/857129009.db2.gz IGMBMJPOZLNFFG-GMSGAONNSA-N -2 0 362.132 0.594 20 0 FCADRL COc1cccc2sc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc21 ZINC001226988680 857135650 /nfs/dbraw/zinc/13/56/50/857135650.db2.gz HZLPAZMMSLWVHZ-KBUNVGBDSA-N -2 0 355.324 0.747 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccnc(Br)c1F)[C@H](O)C(=O)[O-] ZINC001228539661 857214525 /nfs/dbraw/zinc/21/45/25/857214525.db2.gz DYJUSQCONPSPDM-NVNXEXLPSA-N -2 0 366.095 0.425 20 0 FCADRL O=C(Oc1cc(Br)cnc1F)[C@H](O)COP(=O)([O-])[O-] ZINC001228551908 857215163 /nfs/dbraw/zinc/21/51/63/857215163.db2.gz ZXPVKHQHOQPVHQ-RXMQYKEDSA-N -2 0 360.028 0.359 20 0 FCADRL Cc1ccc(Br)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001228744949 857227164 /nfs/dbraw/zinc/22/71/64/857227164.db2.gz HBDWJELUNGAGOC-RCOVLWMOSA-N -2 0 362.132 0.594 20 0 FCADRL COC(=O)c1sc(C)c(C)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228877612 857234145 /nfs/dbraw/zinc/23/41/45/857234145.db2.gz HXMAZBVEPNASCD-APPZFPTMSA-N -2 0 360.340 0.593 20 0 FCADRL CCOC(=O)c1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cnc1C ZINC001229028715 857245132 /nfs/dbraw/zinc/24/51/32/857245132.db2.gz HZGNJJYLVZJKDW-CMPLNLGQSA-N -2 0 355.299 0.009 20 0 FCADRL Cc1nc2cnc(Cl)cc2c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001229279273 857263685 /nfs/dbraw/zinc/26/36/85/857263685.db2.gz YGCUXIYAYBEWHD-WRWORJQWSA-N -2 0 369.717 0.428 20 0 FCADRL CCN(CC)c1nc(C)cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001229539694 857274266 /nfs/dbraw/zinc/27/42/66/857274266.db2.gz SGOFBTYPYRGNDX-BXKDBHETSA-N -2 0 355.347 0.073 20 0 FCADRL CCN(CC)c1nc(C)cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001229539700 857274394 /nfs/dbraw/zinc/27/43/94/857274394.db2.gz SGOFBTYPYRGNDX-JOYOIKCWSA-N -2 0 355.347 0.073 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=S)nc2sccc21)[C@H](O)C(=O)[O-] ZINC001229570078 857275923 /nfs/dbraw/zinc/27/59/23/857275923.db2.gz OIJLMWMESWVHCO-VDTYLAMSSA-N -2 0 358.353 0.422 20 0 FCADRL COC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(Cl)c1 ZINC001229751328 857285310 /nfs/dbraw/zinc/28/53/10/857285310.db2.gz OPPFORJIDMYRKY-HQJQHLMTSA-N -2 0 360.702 0.568 20 0 FCADRL O=S(=O)([O-])c1cc(O)c(OC2CC3(COC3)C2)c(S(=O)(=O)[O-])c1 ZINC001230146170 857307440 /nfs/dbraw/zinc/30/74/40/857307440.db2.gz JEDHQWGXLQXVOY-UHFFFAOYSA-N -2 0 366.369 0.443 20 0 FCADRL O=S(=O)([O-])c1cc(O)c(O[C@@H]2CCCOC2)c(S(=O)(=O)[O-])c1 ZINC001230143303 857307551 /nfs/dbraw/zinc/30/75/51/857307551.db2.gz CWQLJBYQUUGECM-SSDOTTSWSA-N -2 0 354.358 0.443 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(O)cc(Br)c1)[C@@H](O)C(=O)[O-] ZINC001231016308 857353654 /nfs/dbraw/zinc/35/36/54/857353654.db2.gz XADZNXLGRRMTQX-PSASIEDQSA-N -2 0 363.116 0.597 20 0 FCADRL COC(=O)/C=C/c1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001231012807 857353949 /nfs/dbraw/zinc/35/39/49/857353949.db2.gz OFPCUUMJGAYNRS-YNVXZPTESA-N -2 0 352.295 0.315 20 0 FCADRL O=C(Oc1ccc(C(=O)c2ccncc2)cc1)[C@H](O)COP(=O)([O-])[O-] ZINC001231026604 857353990 /nfs/dbraw/zinc/35/39/90/857353990.db2.gz XVFKYOQIFMZTTN-CYBMUJFWSA-N -2 0 367.250 0.688 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc2c(Cl)ncnc2c1)[C@@H](O)C(=O)[O-] ZINC001231115125 857356930 /nfs/dbraw/zinc/35/69/30/857356930.db2.gz KOVQMUSYYJCLEO-GZMMTYOYSA-N -2 0 354.702 0.725 20 0 FCADRL Cc1cc(=O)c2ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc2o1 ZINC001231172165 857357001 /nfs/dbraw/zinc/35/70/01/857357001.db2.gz RJMXXLWVNPXVME-QMTHXVAHSA-N -2 0 350.279 0.543 20 0 FCADRL CCOC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1C ZINC001233806150 857390630 /nfs/dbraw/zinc/39/06/30/857390630.db2.gz WKAHZIWLBOZGAC-AAEUAGOBSA-N -2 0 354.311 0.614 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(F)cc1-c1ccno1)[C@H](O)C(=O)[O-] ZINC001233815807 857391186 /nfs/dbraw/zinc/39/11/86/857391186.db2.gz ZSVKQUJXUHGKQJ-ZANVPECISA-N -2 0 353.258 0.923 20 0 FCADRL COC(=O)Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(Cl)c1 ZINC001233960487 857392971 /nfs/dbraw/zinc/39/29/71/857392971.db2.gz FQIKEMMZCBZTDM-AMIZOPFISA-N -2 0 374.729 0.497 20 0 FCADRL COC(=O)c1cc(F)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(F)c1 ZINC001234011088 857395036 /nfs/dbraw/zinc/39/50/36/857395036.db2.gz VAAFZAORRVPHJV-QUBYGPBYSA-N -2 0 362.237 0.193 20 0 FCADRL COC(=O)CCc1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234343865 857401673 /nfs/dbraw/zinc/40/16/73/857401673.db2.gz FJXOKNMYNZRXTJ-YGRLFVJLSA-N -2 0 354.311 0.234 20 0 FCADRL COC(=O)[C@H](C)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234820688 857412355 /nfs/dbraw/zinc/41/23/55/857412355.db2.gz NCOKWWKZVNTLBC-JQEORGNBSA-N -2 0 354.311 0.405 20 0 FCADRL O=C(Oc1nc[nH]c(=O)c1-c1ccccc1)[C@H](O)COP(=O)([O-])[O-] ZINC001234692535 857412375 /nfs/dbraw/zinc/41/23/75/857412375.db2.gz POMPIIIZZBNLFW-SECBINFHSA-N -2 0 356.227 0.225 20 0 FCADRL CCOc1noc2cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc21 ZINC001234907371 857415014 /nfs/dbraw/zinc/41/50/14/857415014.db2.gz HCKQHRLPTQCMCI-CABZTGNLSA-N -2 0 353.283 0.668 20 0 FCADRL CC(C)(C)[C@H](O)CNc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001253735962 857909695 /nfs/dbraw/zinc/90/96/95/857909695.db2.gz RHJMZGNVWUULJF-LLVKDONJSA-N -2 0 353.418 0.999 20 0 FCADRL CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NCCOP(=O)([O-])[O-])C(=O)C2 ZINC001258989316 858216230 /nfs/dbraw/zinc/21/62/30/858216230.db2.gz RWITYZALSTXLJD-BXKDBHETSA-N -2 0 355.349 0.411 20 0 FCADRL COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1cc(F)c(F)cc1F ZINC001259043063 858236116 /nfs/dbraw/zinc/23/61/16/858236116.db2.gz MVTBGPUQPXAHHE-VIFPVBQESA-N -2 0 355.290 0.789 20 0 FCADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(NS(=O)(=O)C2CC2)c1 ZINC001259275596 858253390 /nfs/dbraw/zinc/25/33/90/858253390.db2.gz KKKWIHJVQYRKBV-UHFFFAOYSA-N -2 0 357.387 0.084 20 0 FCADRL COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001259502536 858271277 /nfs/dbraw/zinc/27/12/77/858271277.db2.gz BUCFWZNKGQHQAA-VIFPVBQESA-N -2 0 355.290 0.789 20 0 FCADRL O=[P@@]([O-])(O)CCCC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260179687 858348143 /nfs/dbraw/zinc/34/81/43/858348143.db2.gz SWWJXLRRSHACCQ-UHFFFAOYSA-N -2 0 369.727 0.014 20 0 FCADRL CN(CCO)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ncn1 ZINC001260221149 858356730 /nfs/dbraw/zinc/35/67/30/858356730.db2.gz BQURWIVSAZAXLG-UHFFFAOYSA-N -2 0 352.372 0.404 20 0 FCADRL COc1ccc([N-]S(=O)(=O)c2cn(C)c(C)n2)c(S(=O)(=O)[O-])c1 ZINC001260548314 858383564 /nfs/dbraw/zinc/38/35/64/858383564.db2.gz QUYNXQSLKCRKOS-UHFFFAOYSA-N -2 0 361.401 0.785 20 0 FCADRL COC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1 ZINC001260961061 858434888 /nfs/dbraw/zinc/43/48/88/858434888.db2.gz AYHQOBBDFNLSRA-UHFFFAOYSA-N -2 0 360.373 0.255 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC001296690536 865984056 /nfs/dbraw/zinc/98/40/56/865984056.db2.gz QULAVCKPAQQTJE-YUMQZZPRSA-N -2 0 366.369 0.519 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)C(F)F)cc2[n-]c1=S ZINC001317876010 867570116 /nfs/dbraw/zinc/57/01/16/867570116.db2.gz YIBVIWCVFVWUSV-UHFFFAOYSA-N -2 0 363.367 0.987 20 0 FCADRL O=C([O-])C1(NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CCOCC1 ZINC001601376108 970986788 /nfs/dbraw/zinc/98/67/88/970986788.db2.gz KYUDQDNAVUJNOD-UHFFFAOYSA-N -2 0 363.395 0.435 20 0 FCADRL COC[C@](C)(NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C(F)(F)F ZINC001571088577 952215113 /nfs/dbraw/zinc/21/51/13/952215113.db2.gz NAGGUDNZPFYYKG-LBPRGKRZSA-N -2 0 372.311 0.672 20 0 FCADRL C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CC[C@H]1C(=O)[O-] ZINC001589393251 954348039 /nfs/dbraw/zinc/34/80/39/954348039.db2.gz WIXQQGQSQQQUFT-ZYHUDNBSSA-N -2 0 370.427 0.825 20 0 FCADRL C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CC[C@H]1C(=O)[O-] ZINC001589393245 954348102 /nfs/dbraw/zinc/34/81/02/954348102.db2.gz WIXQQGQSQQQUFT-CMPLNLGQSA-N -2 0 370.427 0.825 20 0 FCADRL COC(=O)CCN(CC(=O)[O-])C(=O)c1ncc(Br)cc1[O-] ZINC001593839875 955350110 /nfs/dbraw/zinc/35/01/10/955350110.db2.gz AJOPTDPPPZANPN-UHFFFAOYSA-N -2 0 361.148 0.640 20 0 FCADRL Cn1cc(/C=C/C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])cn1 ZINC000852955766 955881668 /nfs/dbraw/zinc/88/16/68/955881668.db2.gz ARRAMSGRMSJSJP-XVHVLHHCSA-N -2 0 374.319 0.556 20 0 FCADRL C[C@@](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC001589115417 956094526 /nfs/dbraw/zinc/09/45/26/956094526.db2.gz VKYJUUNPLVVXRF-INIZCTEOSA-N -2 0 364.379 0.769 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)NCc2ccccc2C(=O)[O-])c1 ZINC001594660573 956532312 /nfs/dbraw/zinc/53/23/12/956532312.db2.gz VNTJHZHRUZYIGI-UHFFFAOYSA-N -2 0 350.352 0.668 20 0 FCADRL COC[C@@]1(C(=O)[O-])CCN(C(=O)c2nc[n-]c(=O)c2Br)C1 ZINC001593966941 956560911 /nfs/dbraw/zinc/56/09/11/956560911.db2.gz GAPDWHYKQWGMGE-GFCCVEGCSA-N -2 0 360.164 0.508 20 0 FCADRL COC[C@@]1(C(=O)[O-])CN(Cc2ncc(Br)cc2[O-])CCO1 ZINC001593982906 956725497 /nfs/dbraw/zinc/72/54/97/956725497.db2.gz DLQWSCVUTXHBOT-CYBMUJFWSA-N -2 0 361.192 0.852 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001594248158 959599458 /nfs/dbraw/zinc/59/94/58/959599458.db2.gz WKCBPNBLXSBCLD-KRWDZBQOSA-N -2 0 357.370 0.813 20 0 FCADRL Cc1nnc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])s1 ZINC001594491272 959711666 /nfs/dbraw/zinc/71/16/66/959711666.db2.gz OTHBUGVQNFYBNK-VXNVDRBHSA-N -2 0 352.338 0.943 20 0 FCADRL C[C@@H]1CCN(C(=O)c2cnc(C(=O)[O-])cn2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001574268350 960606319 /nfs/dbraw/zinc/60/63/19/960606319.db2.gz NXMMNEWSCHTBMK-XCBNKYQSSA-N -2 0 360.292 0.704 20 0 FCADRL Cc1cc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c(C)nn1 ZINC001574312421 960766595 /nfs/dbraw/zinc/76/65/95/960766595.db2.gz LBRAHSHEAMGMBZ-MNOVXSKESA-N -2 0 374.319 0.830 20 0 FCADRL CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cc1 ZINC001588716688 960974745 /nfs/dbraw/zinc/97/47/45/960974745.db2.gz VNSHFYODFRYRSK-UHFFFAOYSA-N -2 0 372.399 0.969 20 0 FCADRL COC(=O)CC[C@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)[O-] ZINC001574066551 962238333 /nfs/dbraw/zinc/23/83/33/962238333.db2.gz ULUTXRJAADSNBE-JTQLQIEISA-N -2 0 365.317 0.853 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)oc1Cl ZINC001574085241 962322603 /nfs/dbraw/zinc/32/26/03/962322603.db2.gz PAPUDZFSTRPNPE-UHFFFAOYSA-N -2 0 367.763 0.632 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)COC(F)(F)F ZINC001574647433 962393039 /nfs/dbraw/zinc/39/30/39/962393039.db2.gz NZWLRGGJELLCPG-CAHLUQPWSA-N -2 0 366.214 0.646 20 0 FCADRL O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC001606058002 973177798 /nfs/dbraw/zinc/17/77/98/973177798.db2.gz YHMWXLJYWWFLMM-SSDOTTSWSA-N -2 0 353.274 0.133 20 0 FCADRL CC[C@@H](CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC001603553002 973631460 /nfs/dbraw/zinc/63/14/60/973631460.db2.gz WWEUDOQDRGAEIC-QMMMGPOBSA-N -2 0 350.343 0.470 20 0 FCADRL COc1nc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])co1 ZINC001604907016 974174104 /nfs/dbraw/zinc/17/41/04/974174104.db2.gz VNGUFCJDXFAPIX-POYBYMJQSA-N -2 0 365.264 0.420 20 0 FCADRL C[C@H](CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])n1cc(Br)cn1 ZINC001592251823 977480527 /nfs/dbraw/zinc/48/05/27/977480527.db2.gz JAJPLZDQPUTGRQ-RNFRBKRXSA-N -2 0 368.209 0.516 20 0 FCADRL C[C@H](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC001592371964 977899250 /nfs/dbraw/zinc/89/92/50/977899250.db2.gz WQKMFTKOAZLQLH-MNOVXSKESA-N -2 0 359.404 0.479 20 0 FCADRL C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC001592406874 977987769 /nfs/dbraw/zinc/98/77/69/977987769.db2.gz ZDBBBYJQAWNGOQ-QMMMGPOBSA-N -2 0 351.402 0.221 20 0 FCADRL C[C@@](CO)(CNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)CC(=O)[O-] ZINC001592729361 979242866 /nfs/dbraw/zinc/24/28/66/979242866.db2.gz NNHCGTBTIXIUAL-QZDDGCDVSA-N -2 0 357.384 0.536 20 0 FCADRL C[C@H](NC(=O)C1CCCC1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001593002433 980215591 /nfs/dbraw/zinc/21/55/91/980215591.db2.gz HNEQTWSXZWMYBH-QMMMGPOBSA-N -2 0 374.440 0.946 20 0 FCADRL CC[C@@H](NS(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)[O-])C(=O)[O-] ZINC001595316384 980482790 /nfs/dbraw/zinc/48/27/90/980482790.db2.gz FXHOWBCRFQIQKC-ZCFIWIBFSA-N -2 0 365.385 0.683 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)C1=O ZINC001595371663 980853914 /nfs/dbraw/zinc/85/39/14/980853914.db2.gz KJFLVNAEFVMIPV-CQSZACIVSA-N -2 0 373.362 0.746 20 0 FCADRL CCC[C@H](O)[C@H](NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-])C(=O)[O-] ZINC001595607683 981603342 /nfs/dbraw/zinc/60/33/42/981603342.db2.gz GJWAAHYJPFVDNW-ONGXEEELSA-N -2 0 365.791 0.931 20 0 FCADRL CCC[C@H](O)[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)[O-] ZINC001595608663 981613473 /nfs/dbraw/zinc/61/34/73/981613473.db2.gz LMNJRASLTUGBTM-WRWORJQWSA-N -2 0 367.326 0.556 20 0 FCADRL CCC[C@H](O)[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1)C(=O)[O-] ZINC001595609145 981618097 /nfs/dbraw/zinc/61/80/97/981618097.db2.gz PPCTUHOJNPTQES-CMPLNLGQSA-N -2 0 361.372 0.286 20 0 FCADRL CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)n1 ZINC001596637944 984629679 /nfs/dbraw/zinc/62/96/79/984629679.db2.gz RTIKVTHBSHBQSM-UHFFFAOYSA-N -2 0 368.371 0.649 20 0 FCADRL CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)cn1C ZINC001596713874 984938661 /nfs/dbraw/zinc/93/86/61/984938661.db2.gz LDMBTWNPSMEXGA-UHFFFAOYSA-N -2 0 356.360 0.434 20 0 FCADRL CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC001589066978 985205788 /nfs/dbraw/zinc/20/57/88/985205788.db2.gz ZYIRNWBWCBOIAV-HWKANZROSA-N -2 0 370.383 0.448 20 0 FCADRL CC(=O)N1Cc2ccc(S(=O)(=O)[N-]c3cnc(C(=O)[O-])cn3)cc2C1 ZINC001589097572 985294559 /nfs/dbraw/zinc/29/45/59/985294559.db2.gz KLYVVWUZFKRRMO-UHFFFAOYSA-N -2 0 362.367 0.838 20 0 FCADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)Cc1nnnn1C ZINC001599948887 985575054 /nfs/dbraw/zinc/57/50/54/985575054.db2.gz TTYUBEALCZXGDI-MRVPVSSYSA-N -2 0 355.376 0.039 20 0 FCADRL CC(=O)c1[nH]c(CC(=O)[N-]S(=O)(=O)c2cccnc2)c(C(=O)[O-])c1C ZINC001589244148 985842308 /nfs/dbraw/zinc/84/23/08/985842308.db2.gz FAFPUAVKSVAYHT-UHFFFAOYSA-N -2 0 365.367 0.667 20 0 FCADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1cc(F)ccc1C(=O)N[C@H](C)C(=O)[O-] ZINC001599969313 985975788 /nfs/dbraw/zinc/97/57/88/985975788.db2.gz DUFCCLCEFNPJQL-MRVPVSSYSA-N -2 0 370.362 0.861 20 0 FCADRL CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001596931727 986025914 /nfs/dbraw/zinc/02/59/14/986025914.db2.gz CVEURBXWVGFXQN-NSHDSACASA-N -2 0 359.400 0.772 20 0 FCADRL CCOC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)C(=O)[O-] ZINC001596945727 986087966 /nfs/dbraw/zinc/08/79/66/986087966.db2.gz OZKFWJGIYRKNTA-SECBINFHSA-N -2 0 351.764 0.806 20 0 FCADRL CCOC[C@@H](NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)C(=O)[O-] ZINC001596946054 986091099 /nfs/dbraw/zinc/09/10/99/986091099.db2.gz XHIMUPMBRQNUQR-SECBINFHSA-N -2 0 353.299 0.431 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])nnn1-c1ccccc1 ZINC001599982123 986178214 /nfs/dbraw/zinc/17/82/14/986178214.db2.gz KQWOEFSNWKVHAK-KOLCDFICSA-N -2 0 366.399 0.745 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])nn2c1OCCC2 ZINC001599982200 986179338 /nfs/dbraw/zinc/17/93/38/986179338.db2.gz ULJFHKNDPWGARS-UHFFFAOYSA-N -2 0 371.396 0.852 20 0 FCADRL CCO[N-]C(=O)CNC(=O)N1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001596968881 986187424 /nfs/dbraw/zinc/18/74/24/986187424.db2.gz RWODJUBSZQYTSL-UHFFFAOYSA-N -2 0 370.431 0.873 20 0 FCADRL C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001589350107 986307413 /nfs/dbraw/zinc/30/74/13/986307413.db2.gz OBOVJOFRLSUNIM-PWSUYJOCSA-N -2 0 351.407 0.401 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC001594563685 986345806 /nfs/dbraw/zinc/34/58/06/986345806.db2.gz XQBAHLCPUUSUQN-GMTAPVOTSA-N -2 0 371.415 0.228 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnc2)cc1 ZINC001589450146 986836780 /nfs/dbraw/zinc/83/67/80/986836780.db2.gz AYOWHZWNWOKFGV-MNOVXSKESA-N -2 0 366.399 0.365 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CN(C)C(=O)OC(C)(C)C ZINC001589452885 986854860 /nfs/dbraw/zinc/85/48/60/986854860.db2.gz NGKFUYKUDSMQHJ-BDAKNGLRSA-N -2 0 352.409 0.409 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccnc(N2CCCCC2)n1 ZINC001589453125 986857650 /nfs/dbraw/zinc/85/76/50/986857650.db2.gz DNQGDVXKLMYTNU-GHMZBOCLSA-N -2 0 370.431 0.636 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cnn(C)c1-n1cccc1 ZINC001589453701 986865006 /nfs/dbraw/zinc/86/50/06/986865006.db2.gz IFQCGQGMOKFBCS-NXEZZACHSA-N -2 0 354.388 0.380 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(-n2cc[nH]c2=O)c1 ZINC001589454580 986881672 /nfs/dbraw/zinc/88/16/72/986881672.db2.gz OZRIICZCLTXMGC-ZJUUUORDSA-N -2 0 367.383 0.747 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(Cn2ccnn2)cc1 ZINC001589455225 986892903 /nfs/dbraw/zinc/89/29/03/986892903.db2.gz WIPYFDDIURKTGO-GHMZBOCLSA-N -2 0 366.399 0.495 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CC1CCN(CC(F)(F)F)CC1 ZINC001589493549 987067903 /nfs/dbraw/zinc/06/79/03/987067903.db2.gz CXENZXDTZBVSPW-MRVPVSSYSA-N -2 0 360.354 0.570 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCOCC(F)(F)C(F)(F)F ZINC001589493647 987068683 /nfs/dbraw/zinc/06/86/83/987068683.db2.gz FGCFSMQRUFUNFD-RXMQYKEDSA-N -2 0 357.253 0.510 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCC(=O)N1CCc2sccc2C1 ZINC001589495828 987075371 /nfs/dbraw/zinc/07/53/71/987075371.db2.gz RGFHYHXBLFCYBV-SECBINFHSA-N -2 0 374.440 0.332 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1CCC(NC(=O)C2CCCC2)CC1 ZINC001589495889 987076271 /nfs/dbraw/zinc/07/62/71/987076271.db2.gz SONWDOQIPQPHHZ-QFWMXSHPSA-N -2 0 374.459 0.771 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001597231780 987191653 /nfs/dbraw/zinc/19/16/53/987191653.db2.gz YMPLPXVIVMFWKQ-MNOVXSKESA-N -2 0 356.400 0.356 20 0 FCADRL CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001597288764 987373500 /nfs/dbraw/zinc/37/35/00/987373500.db2.gz QJZYTVSIBZJQQH-SECBINFHSA-N -2 0 366.436 0.847 20 0 FCADRL CC(C)(C(=O)[O-])C1(O)CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)CC1 ZINC001589603115 987439799 /nfs/dbraw/zinc/43/97/99/987439799.db2.gz NYZKKPVRHHPOBH-UHFFFAOYSA-N -2 0 363.432 0.509 20 0 FCADRL CC[C@H](C)[C@H](NC(=O)OC)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001597318696 987440809 /nfs/dbraw/zinc/44/08/09/987440809.db2.gz ANTXUNYNDHUTJL-IUCAKERBSA-N -2 0 352.409 0.314 20 0 FCADRL CC[C@H](C)[C@H](NC(=O)OC)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001597318878 987441901 /nfs/dbraw/zinc/44/19/01/987441901.db2.gz DHHXTASFUYLHJL-CABZTGNLSA-N -2 0 372.399 0.960 20 0 FCADRL CC(C)(C(=O)[O-])n1cc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)cn1 ZINC001589671062 987666962 /nfs/dbraw/zinc/66/69/62/987666962.db2.gz PFLLIYITAILGBU-UHFFFAOYSA-N -2 0 363.346 0.965 20 0 FCADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC001589699773 987787658 /nfs/dbraw/zinc/78/76/58/987787658.db2.gz RFGJJWNAMDWPLT-GFCCVEGCSA-N -2 0 372.399 0.735 20 0 FCADRL CSCC[C@H](NS(=O)(=O)c1ccc(CC(=O)[O-])s1)C(=O)[O-] ZINC001599794042 988063349 /nfs/dbraw/zinc/06/33/49/988063349.db2.gz JEZDNLKCEGYLIY-QMMMGPOBSA-N -2 0 353.443 0.860 20 0 FCADRL CC(C)(C)N1C[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1=O ZINC001589796777 988198184 /nfs/dbraw/zinc/19/81/84/988198184.db2.gz WDMCFTSMPFXIFG-QMMMGPOBSA-N -2 0 358.372 0.430 20 0 FCADRL CCc1cccc(CC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001597581324 988387459 /nfs/dbraw/zinc/38/74/59/988387459.db2.gz WJDMJTSCZIWCTJ-UHFFFAOYSA-N -2 0 354.428 0.949 20 0 FCADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])n1 ZINC001597604241 988479915 /nfs/dbraw/zinc/47/99/15/988479915.db2.gz IISKBTPPJJZLPO-CYBMUJFWSA-N -2 0 372.381 0.508 20 0 FCADRL C[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])N(C)C(=O)OC(C)(C)C ZINC001599831258 988678224 /nfs/dbraw/zinc/67/82/24/988678224.db2.gz YZNHBVHMWCXUCZ-VIFPVBQESA-N -2 0 366.436 0.799 20 0 FCADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC001597777795 989250398 /nfs/dbraw/zinc/25/03/98/989250398.db2.gz FUSVWEVURKSTGU-XLKFXECMSA-N -2 0 361.372 0.793 20 0 FCADRL CC(C)(C)OC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001590150313 989450102 /nfs/dbraw/zinc/45/01/02/989450102.db2.gz IPSLEJHFMNOPRV-UHFFFAOYSA-N -2 0 352.409 0.458 20 0 FCADRL CCn1c(=O)[nH]c2ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])cc21 ZINC001597835421 989515084 /nfs/dbraw/zinc/51/50/84/989515084.db2.gz GKOYVUHLYOGRJW-IUCAKERBSA-N -2 0 369.399 0.931 20 0 FCADRL CCn1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)n1 ZINC001597905366 989796224 /nfs/dbraw/zinc/79/62/24/989796224.db2.gz ZFVYMNXOVZHOLC-UHFFFAOYSA-N -2 0 369.374 0.717 20 0 FCADRL CC(C)(C)OC[C@H](NS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C(=O)[O-] ZINC001590388785 989910377 /nfs/dbraw/zinc/91/03/77/989910377.db2.gz ISNDXAOTVJDCMQ-VWYCJHECSA-N -2 0 351.421 0.818 20 0 FCADRL CCn1ncc2cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c(C)nc21 ZINC001597959878 989981085 /nfs/dbraw/zinc/98/10/85/989981085.db2.gz DOXBPQYIJQWWLM-UHFFFAOYSA-N -2 0 354.388 0.684 20 0 FCADRL CN(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)c1nc(CC(=O)[O-])cs1 ZINC001598087766 990418671 /nfs/dbraw/zinc/41/86/71/990418671.db2.gz HYGWYAOSROHIAY-UHFFFAOYSA-N -2 0 370.412 0.813 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)nc1)C(=O)[O-] ZINC001590799433 990629356 /nfs/dbraw/zinc/62/93/56/990629356.db2.gz VPZCLCTUWNMJEK-UHFFFAOYSA-N -2 0 352.372 0.438 20 0 FCADRL COc1cccc(S([O-])=CC(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC001599683554 990949955 /nfs/dbraw/zinc/94/99/55/990949955.db2.gz QIANRGBPEKVXFB-VIEXFVSASA-N -2 0 355.412 0.656 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CC[C@@H](OC)C[C@@H]2C(=O)[O-])c1 ZINC001599683744 990953212 /nfs/dbraw/zinc/95/32/12/990953212.db2.gz XXZVJTFWLKYBNR-TUBUTJRMSA-N -2 0 355.412 0.893 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])c1 ZINC001598277186 991159277 /nfs/dbraw/zinc/15/92/77/991159277.db2.gz SGRNFWUQMCEJGE-JQWIXIFHSA-N -2 0 356.400 0.626 20 0 FCADRL COc1ccccc1C[C@@H](CNC(=O)c1cnc(C(=O)[O-])cn1)C(=O)[O-] ZINC001599707567 991315841 /nfs/dbraw/zinc/31/58/41/991315841.db2.gz OKHFLDBSUIEREU-NSHDSACASA-N -2 0 359.338 0.857 20 0 FCADRL COc1nc(C(=O)OCC(=O)NC2(C(=O)[O-])CCCCC2)cc(=O)[n-]1 ZINC001599731732 991718601 /nfs/dbraw/zinc/71/86/01/991718601.db2.gz IRFXOGXUMUTVEF-UHFFFAOYSA-N -2 0 353.331 0.251 20 0 FCADRL CS(=O)(=O)C1(CNS(=O)(=O)c2scnc2C(=O)[O-])CCCC1 ZINC001599745867 991928058 /nfs/dbraw/zinc/92/80/58/991928058.db2.gz MLYPLEXIFJLMTM-UHFFFAOYSA-N -2 0 368.458 0.477 20 0 FCADRL CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)cc1 ZINC001599752049 992003405 /nfs/dbraw/zinc/00/34/05/992003405.db2.gz DIQRZFPHCRTYAX-UHFFFAOYSA-N -2 0 371.396 0.520 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)NC[C@H](CCC(=O)[O-])C(F)(F)F ZINC001598471591 992033631 /nfs/dbraw/zinc/03/36/31/992033631.db2.gz VGUWQTDAXVJHPZ-ZETCQYMHSA-N -2 0 350.315 0.271 20 0 FCADRL CS(=O)(=O)c1cc(NC(=O)C(=O)[N-]OCCC2CC2)cc(C(=O)[O-])c1 ZINC001599766050 992184385 /nfs/dbraw/zinc/18/43/85/992184385.db2.gz MRYWFYOPFPQNRX-UHFFFAOYSA-N -2 0 370.383 0.575 20 0 FCADRL CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)C23CC(C(=O)[O-])(C2)C3)c1 ZINC001599772762 992264717 /nfs/dbraw/zinc/26/47/17/992264717.db2.gz HQWUYVXYEXBIQR-UHFFFAOYSA-N -2 0 373.408 0.150 20 0 FCADRL CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC001598510848 992568057 /nfs/dbraw/zinc/56/80/57/992568057.db2.gz ZYYAKHPJQMNBCZ-CQSZACIVSA-N -2 0 362.382 0.960 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])cc1=O ZINC001591505628 992650338 /nfs/dbraw/zinc/65/03/38/992650338.db2.gz JGPUADOUXKTALQ-JSGCOSHPSA-N -2 0 353.419 0.761 20 0 FCADRL CN(Cc1ccccc1F)C(=O)CS(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001598529380 992759895 /nfs/dbraw/zinc/75/98/95/992759895.db2.gz GMKSPCHKUCFLER-UHFFFAOYSA-N -2 0 355.347 0.679 20 0 FCADRL CN1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1=O ZINC001598580056 993328503 /nfs/dbraw/zinc/32/85/03/993328503.db2.gz ZRFUMGWBVJKBHC-GFCCVEGCSA-N -2 0 354.384 0.199 20 0 FCADRL CN1CC[C@H](C(=O)[N-]S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)CC1=O ZINC001598580032 993328669 /nfs/dbraw/zinc/32/86/69/993328669.db2.gz YXCPESVDWGWWSU-JTQLQIEISA-N -2 0 355.372 0.026 20 0 FCADRL COc1ccc(OC)c(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)c1 ZINC001599601406 993820974 /nfs/dbraw/zinc/82/09/74/993820974.db2.gz BNHKSTOOBHWRQL-UHFFFAOYSA-N -2 0 356.356 0.911 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)c(OC)c1C(=O)[O-] ZINC001599609361 993930416 /nfs/dbraw/zinc/93/04/16/993930416.db2.gz AJQRTQZTAORMHS-BDAKNGLRSA-N -2 0 373.383 0.886 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CCC2)c(CC(=O)[O-])c1 ZINC001599611142 993955979 /nfs/dbraw/zinc/95/59/79/993955979.db2.gz CSRYXSPIXNOMQD-CQSZACIVSA-N -2 0 357.384 0.854 20 0 FCADRL COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)c(OC)c1C(=O)[O-] ZINC001599611250 993956428 /nfs/dbraw/zinc/95/64/28/993956428.db2.gz ZBWJRXYSZKCMPA-SECBINFHSA-N -2 0 373.383 0.887 20 0 FCADRL COc1ccc(S(=O)(=O)NC[C@@H](F)C(=O)[O-])c(OC)c1C(=O)[O-] ZINC001599616282 994018989 /nfs/dbraw/zinc/01/89/89/994018989.db2.gz ARIOXICJEXWUEP-ZCFIWIBFSA-N -2 0 351.308 0.103 20 0 FCADRL C[C@H](NC(=O)c1ccccc1)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001593176484 994056197 /nfs/dbraw/zinc/05/61/97/994056197.db2.gz XLXIJMMDEUHOLB-JTQLQIEISA-N -2 0 356.400 0.362 20 0 FCADRL COc1cccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1C ZINC001599642409 994377914 /nfs/dbraw/zinc/37/79/14/994377914.db2.gz KLLUCSHHEFTWGB-UHFFFAOYSA-N -2 0 356.400 0.775 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)[O-])cn1 ZINC001598650313 994431739 /nfs/dbraw/zinc/43/17/39/994431739.db2.gz CFCUJPPZHPSUQH-UHFFFAOYSA-N -2 0 372.790 0.782 20 0 FCADRL CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC)cn1C ZINC001598657071 994538351 /nfs/dbraw/zinc/53/83/51/994538351.db2.gz WOGJZTQYSUPCNZ-UHFFFAOYSA-N -2 0 367.383 0.892 20 0 FCADRL C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1Br)C(=O)[O-] ZINC001593333696 994905871 /nfs/dbraw/zinc/90/58/71/994905871.db2.gz FIFQDQLTPFZSPK-YFKPBYRVSA-N -2 0 352.162 0.899 20 0 FCADRL COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)Cc1ccccc1C(=O)[O-] ZINC001598684957 994991576 /nfs/dbraw/zinc/99/15/76/994991576.db2.gz VTMAAWNHSDKBOV-UHFFFAOYSA-N -2 0 357.384 0.573 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N[C@H](CCC2OCCO2)C(=O)[O-])c1 ZINC001599682459 995004174 /nfs/dbraw/zinc/00/41/74/995004174.db2.gz AFLYSZPWDXDVTH-SHZVTRLKSA-N -2 0 371.411 0.525 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N[C@H](CCC2OCCO2)C(=O)[O-])c1 ZINC001599682463 995004608 /nfs/dbraw/zinc/00/46/08/995004608.db2.gz AFLYSZPWDXDVTH-YMXBGEKHSA-N -2 0 371.411 0.525 20 0 FCADRL COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC001598693747 995103875 /nfs/dbraw/zinc/10/38/75/995103875.db2.gz GYTJZTTXZIHDPN-ZETCQYMHSA-N -2 0 357.718 0.913 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]1CCCCO1 ZINC001593606815 995787104 /nfs/dbraw/zinc/78/71/04/995787104.db2.gz YQOYNSLAIXJPIM-YFKTTZPYSA-N -2 0 351.421 0.516 20 0 FCADRL C[C@@H](Oc1ccc(NC(=O)C(=O)N(C)CCC(=O)[O-])cc1F)C(=O)[O-] ZINC001593623528 995881304 /nfs/dbraw/zinc/88/13/04/995881304.db2.gz WJELPLANIFOJAX-MRVPVSSYSA-N -2 0 356.306 0.549 20 0 FCADRL COC(=O)C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])sc1C)C(=O)[O-] ZINC001598838711 996507121 /nfs/dbraw/zinc/50/71/21/996507121.db2.gz CLFAPDNDSYBTLW-ZCFIWIBFSA-N -2 0 351.358 0.049 20 0 FCADRL COC(=O)C[C@H](NS(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1)C(=O)[O-] ZINC001598839234 996511450 /nfs/dbraw/zinc/51/14/50/996511450.db2.gz IUFUBICWVMUPBL-NSHDSACASA-N -2 0 359.356 0.296 20 0 FCADRL COC(=O)CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1C)C(=O)[O-] ZINC001598857887 996653425 /nfs/dbraw/zinc/65/34/25/996653425.db2.gz BVULJCKWJNOHQD-JTQLQIEISA-N -2 0 359.356 0.378 20 0 FCADRL COC(=O)CC[C@@H](NS(=O)(=O)c1cccc(F)c1C(=O)[O-])C(=O)[O-] ZINC001598858683 996658132 /nfs/dbraw/zinc/65/81/32/996658132.db2.gz PMURGXUDVRFKJB-MRVPVSSYSA-N -2 0 363.319 0.209 20 0 FCADRL COC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)n1 ZINC001598874873 996756902 /nfs/dbraw/zinc/75/69/02/996756902.db2.gz DLOCWFUHNCOVEP-UHFFFAOYSA-N -2 0 372.334 0.398 20 0 FCADRL COC(=O)NCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001598882851 996839765 /nfs/dbraw/zinc/83/97/65/996839765.db2.gz INZLOQQHMKZFJZ-UHFFFAOYSA-N -2 0 350.736 0.199 20 0 FCADRL COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC001599488518 996896362 /nfs/dbraw/zinc/89/63/62/996896362.db2.gz NWGNYVKWNOAANJ-SKDRFNHKSA-N -2 0 364.354 0.901 20 0 FCADRL COC[C@]1(C(=O)[O-])CCCCN1C(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001599182816 996973239 /nfs/dbraw/zinc/97/32/39/996973239.db2.gz KKUJAVXDNXKIGD-KRWDZBQOSA-N -2 0 353.419 0.857 20 0 FCADRL COC(=O)[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)o1 ZINC001598892536 997018948 /nfs/dbraw/zinc/01/89/48/997018948.db2.gz ATLYGGKFPAAJTL-ZCFIWIBFSA-N -2 0 370.177 0.727 20 0 FCADRL COCC1(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)CCOCC1 ZINC001599185564 997019877 /nfs/dbraw/zinc/01/98/77/997019877.db2.gz AODRQFVSZXWJMY-UHFFFAOYSA-N -2 0 357.384 0.633 20 0 FCADRL COCC1(C(=O)[O-])CCN(S(=O)(=O)c2cc(C(=O)[O-])oc2C)CC1 ZINC001599196394 997224605 /nfs/dbraw/zinc/22/46/05/997224605.db2.gz XVRUABNGCWIZFS-UHFFFAOYSA-N -2 0 361.372 0.788 20 0 FCADRL COc1cc(CN(CC(=O)[O-])C(=O)CCCc2nnn[n-]2)cc(OC)c1 ZINC001599403565 997256113 /nfs/dbraw/zinc/25/61/13/997256113.db2.gz AMEOGRSYURYOOH-UHFFFAOYSA-N -2 0 363.374 0.653 20 0 FCADRL COc1cc(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)ccc1C(=O)[O-] ZINC001599409078 997387347 /nfs/dbraw/zinc/38/73/47/997387347.db2.gz MDJBHJKOHAJGCK-UHFFFAOYSA-N -2 0 350.331 0.493 20 0 FCADRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)NC[C@H](C)C(=O)[O-] ZINC001598916535 997479920 /nfs/dbraw/zinc/47/99/20/997479920.db2.gz VDEAPJPNZQCQED-YFKPBYRVSA-N -2 0 365.385 0.540 20 0 FCADRL COc1ccc([C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])C(=O)[O-])cc1F ZINC001599531383 997659138 /nfs/dbraw/zinc/65/91/38/997659138.db2.gz NMEUYKOUSSGOPE-GFCCVEGCSA-N -2 0 364.351 0.201 20 0 FCADRL COc1ccc(C[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1OC ZINC001599550095 997991145 /nfs/dbraw/zinc/99/11/45/997991145.db2.gz KQBVCJPIQSBNJF-ZJUUUORDSA-N -2 0 359.400 0.802 20 0 FCADRL COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)N(C)CCC(=O)[O-] ZINC001599552583 998034138 /nfs/dbraw/zinc/03/41/38/998034138.db2.gz ONHZPFMTJVXARN-UHFFFAOYSA-N -2 0 360.388 0.776 20 0 FCADRL CO[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)[C@@](C)(C(=O)[O-])C1 ZINC001599136562 998053895 /nfs/dbraw/zinc/05/38/95/998053895.db2.gz KCTNCSQBWZAWMM-LKFCYVNXSA-N -2 0 361.347 0.777 20 0 FCADRL COc1cc(OC)c(S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-])c(OC)c1 ZINC001599449514 998067846 /nfs/dbraw/zinc/06/78/46/998067846.db2.gz FOGPSKAZAOMTKH-MRVPVSSYSA-N -2 0 361.372 0.628 20 0 FCADRL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)nn1C ZINC001598949104 998113418 /nfs/dbraw/zinc/11/34/18/998113418.db2.gz SZMYWCWPQQXGAK-UHFFFAOYSA-N -2 0 353.356 0.635 20 0 FCADRL CO[C@H]1COCC[C@H]1CC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001599141377 998137066 /nfs/dbraw/zinc/13/70/66/998137066.db2.gz XDHQFAZHMGGCDG-JSGCOSHPSA-N -2 0 371.411 0.772 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c(C(=O)[O-])s1 ZINC001598952229 998175426 /nfs/dbraw/zinc/17/54/26/998175426.db2.gz RFANIBVNYLRUKA-ZCFIWIBFSA-N -2 0 363.369 0.471 20 0 FCADRL COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001599143903 998179611 /nfs/dbraw/zinc/17/96/11/998179611.db2.gz KDSSUUUISORHFD-JTQLQIEISA-N -2 0 351.764 0.758 20 0 FCADRL COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC001599144075 998181548 /nfs/dbraw/zinc/18/15/48/998181548.db2.gz SUVLNQZEFFOYAX-GFCCVEGCSA-N -2 0 361.372 0.260 20 0 FCADRL COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001599144059 998181678 /nfs/dbraw/zinc/18/16/78/998181678.db2.gz SCIFNGWJYJOPDD-SECBINFHSA-N -2 0 351.764 0.758 20 0 FCADRL COc1cc(S(=O)(=O)N(CCSC)CC(=O)[O-])ccc1C(=O)[O-] ZINC001599457738 998216831 /nfs/dbraw/zinc/21/68/31/998216831.db2.gz OIDAGZJVSLIUIW-UHFFFAOYSA-N -2 0 363.413 0.832 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]CCc2ccc(C(=O)[O-])cc2)on1 ZINC001598954818 998220850 /nfs/dbraw/zinc/22/08/50/998220850.db2.gz MCDUUPKHBFNJFN-UHFFFAOYSA-N -2 0 354.340 0.680 20 0 FCADRL COC[C@](C)(CC(=O)[O-])NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC001599147993 998245673 /nfs/dbraw/zinc/24/56/73/998245673.db2.gz XBWNDMWKDOCJJX-INIZCTEOSA-N -2 0 365.411 0.681 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N(CC(=O)[O-])C2CC2)c1 ZINC001598963283 998372045 /nfs/dbraw/zinc/37/20/45/998372045.db2.gz UYJFMVBMZCBPDI-UHFFFAOYSA-N -2 0 357.340 0.409 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCC[C@H](C)CC(=O)[O-])c1 ZINC001598964231 998387033 /nfs/dbraw/zinc/38/70/33/998387033.db2.gz WIFYFPDLLLLBSM-VIFPVBQESA-N -2 0 373.383 0.951 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001598964632 998392592 /nfs/dbraw/zinc/39/25/92/998392592.db2.gz XDBJPTRTLBPLTD-SNVBAGLBSA-N -2 0 371.367 0.657 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2[C@@H](C)CC[C@H]2C(=O)[O-])c1 ZINC001598964666 998393644 /nfs/dbraw/zinc/39/36/44/998393644.db2.gz XYGNXMIENSDCKO-KWQFWETISA-N -2 0 371.367 0.798 20 0 FCADRL COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001599370848 998406126 /nfs/dbraw/zinc/40/61/26/998406126.db2.gz LJPADEHRGDAYDN-WCBMZHEXSA-N -2 0 350.327 0.701 20 0 FCADRL COc1ccc(Br)c(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c1 ZINC001599475203 998519106 /nfs/dbraw/zinc/51/91/06/998519106.db2.gz UTCUVJYZSZJKGX-UHFFFAOYSA-N -2 0 366.189 0.992 20 0 FCADRL COCCn1cc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)cn1 ZINC001599273126 998571964 /nfs/dbraw/zinc/57/19/64/998571964.db2.gz XYCDJSBLYGTNGT-UHFFFAOYSA-N -2 0 360.417 0.804 20 0 FCADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCc2ccc(C(=O)[O-])cc2)C1 ZINC001594211116 998822051 /nfs/dbraw/zinc/82/20/51/998822051.db2.gz YWUVCMAALMFAOZ-FZMZJTMJSA-N -2 0 362.382 0.613 20 0 FCADRL COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(OC)c2)cn1 ZINC001599009004 998881181 /nfs/dbraw/zinc/88/11/81/998881181.db2.gz BMPLKKGXCWOENW-UHFFFAOYSA-N -2 0 367.339 0.771 20 0 FCADRL COC(=O)c1cnc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cn1 ZINC001599009271 998883802 /nfs/dbraw/zinc/88/38/02/998883802.db2.gz KTRAWFVXZFBUBJ-UHFFFAOYSA-N -2 0 355.303 0.901 20 0 FCADRL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001599022055 998988141 /nfs/dbraw/zinc/98/81/41/998988141.db2.gz OXJLSYNSMUYNLK-UHFFFAOYSA-N -2 0 359.385 0.925 20 0 FCADRL CO[C@H](C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(=O)[O-])C1CC1 ZINC001599042339 999126997 /nfs/dbraw/zinc/12/69/97/999126997.db2.gz BCEKVQQALYRLOI-VXGBXAGGSA-N -2 0 358.372 0.326 20 0 FCADRL CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1 ZINC001599058343 999246897 /nfs/dbraw/zinc/24/68/97/999246897.db2.gz LYVKSDQMLPLLET-ZDUSSCGKSA-N -2 0 353.400 0.967 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)c1C ZINC000265577642 210170637 /nfs/dbraw/zinc/17/06/37/210170637.db2.gz OYDJPAXKEKQGJH-UHFFFAOYSA-N -2 0 366.399 0.874 20 0 FCADRL CCOC(=O)c1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])ccc1C ZINC000284919209 213248475 /nfs/dbraw/zinc/24/84/75/213248475.db2.gz BTAWRHALZSSMIZ-NSHDSACASA-N -2 0 359.356 0.378 20 0 FCADRL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])c(F)c1Cl ZINC000274944246 211934681 /nfs/dbraw/zinc/93/46/81/211934681.db2.gz ROFMUHHYHJVNIF-ZETCQYMHSA-N -2 0 372.733 0.300 20 0 FCADRL CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000417369317 245688778 /nfs/dbraw/zinc/68/87/78/245688778.db2.gz QRUZEIZIWORJCR-CRWXNKLISA-N -2 0 374.393 0.886 20 0 FCADRL COCc1nc(=NCCNS(=O)(=O)c2ccc(F)cc2F)s[n-]1 ZINC000440648701 248201529 /nfs/dbraw/zinc/20/15/29/248201529.db2.gz KBULPTZNWHLSLV-UHFFFAOYSA-N -2 0 364.399 0.775 20 0 FCADRL CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)[N-]c1cnn(C)c1 ZINC000270463210 211205532 /nfs/dbraw/zinc/20/55/32/211205532.db2.gz DQXAEIAAYZRMEN-UHFFFAOYSA-N -2 0 374.444 0.991 20 0 FCADRL CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cn1 ZINC000481969288 250373666 /nfs/dbraw/zinc/37/36/66/250373666.db2.gz GFLUWHUAINQGAU-UHFFFAOYSA-N -2 0 366.399 0.399 20 0 FCADRL CCc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)NC)c2)cc1C(=O)[O-] ZINC000269678734 211042824 /nfs/dbraw/zinc/04/28/24/211042824.db2.gz QEEIUESRONQDDD-UHFFFAOYSA-N -2 0 366.399 0.691 20 0 FCADRL Cc1cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])ccc1Br ZINC000110969679 208273428 /nfs/dbraw/zinc/27/34/28/208273428.db2.gz VLCANXXXFNQHAC-UHFFFAOYSA-N -2 0 366.189 0.917 20 0 FCADRL O=C([O-])C1CC(NC(=O)c2cnc(I)c([O-])c2)C1 ZINC000902648485 675869053 /nfs/dbraw/zinc/86/90/53/675869053.db2.gz IQWUXPPRLFBWRS-UHFFFAOYSA-N -2 0 362.123 0.985 20 0 FCADRL O=C([O-])[C@@H]1CCCN1C(=O)c1ccc2c(c1)S(=O)(=O)[N-]c1ncnn1-2 ZINC000262087939 229298201 /nfs/dbraw/zinc/29/82/01/229298201.db2.gz GMFSICQLMZLPRD-JTQLQIEISA-N -2 0 363.355 0.071 20 0 FCADRL COC(=O)c1sccc1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000314683191 488896288 /nfs/dbraw/zinc/89/62/88/488896288.db2.gz KRWTVFOSEDDIID-ZCFIWIBFSA-N -2 0 351.358 0.131 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cccc(N3CN=NC3=O)c2)cc1C(=O)[O-] ZINC000364032389 488915886 /nfs/dbraw/zinc/91/58/86/488915886.db2.gz IJXCTIWNEYTQFQ-UHFFFAOYSA-N -2 0 363.355 0.810 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)cc2)cc1C(=O)[O-] ZINC000326776349 488916890 /nfs/dbraw/zinc/91/68/90/488916890.db2.gz NUKCLAUMCPUIFE-UHFFFAOYSA-N -2 0 367.383 0.246 20 0 FCADRL COc1ccc(OC)c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1 ZINC000327034486 488917829 /nfs/dbraw/zinc/91/78/29/488917829.db2.gz JCSQMUFXAXUMPU-MNOVXSKESA-N -2 0 373.383 0.500 20 0 FCADRL CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N[C@@H](C)C(=O)[O-] ZINC000262366470 488566425 /nfs/dbraw/zinc/56/64/25/488566425.db2.gz DRPNOTLBEHLICX-QMMMGPOBSA-N -2 0 366.417 0.208 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N(C)[C@@H](C)C(=O)[O-])c1 ZINC000262854732 488596923 /nfs/dbraw/zinc/59/69/23/488596923.db2.gz HEEHZZHKDNSGSA-QMMMGPOBSA-N -2 0 357.388 0.562 20 0 FCADRL C[C@](O)(C[N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC000263512317 488613870 /nfs/dbraw/zinc/61/38/70/488613870.db2.gz YHASWXYRHWBYSZ-JTQLQIEISA-N -2 0 374.159 0.841 20 0 FCADRL C[C@@](O)(C[N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC000263512318 488614100 /nfs/dbraw/zinc/61/41/00/488614100.db2.gz YHASWXYRHWBYSZ-SNVBAGLBSA-N -2 0 374.159 0.841 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](CCSC)C(=O)[O-] ZINC000274914648 488743210 /nfs/dbraw/zinc/74/32/10/488743210.db2.gz LJOHWKRFTGSLIS-LURJTMIESA-N -2 0 354.431 0.414 20 0 FCADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-] ZINC000274936047 488745135 /nfs/dbraw/zinc/74/51/35/488745135.db2.gz FIYYGPWKMCQLTC-UHFFFAOYSA-N -2 0 365.747 0.287 20 0 FCADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000274940433 488746116 /nfs/dbraw/zinc/74/61/16/488746116.db2.gz QUTRXXBDQLQIDM-QMMMGPOBSA-N -2 0 365.747 0.333 20 0 FCADRL O=C([O-])[C@@H](O)CC[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000274972527 488749417 /nfs/dbraw/zinc/74/94/17/488749417.db2.gz WLVTYRPGIWCJBG-QMMMGPOBSA-N -2 0 374.159 0.841 20 0 FCADRL COC(=O)c1cc(F)ccc1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000274986021 488750589 /nfs/dbraw/zinc/75/05/89/488750589.db2.gz MCAGZRDCCDNOLC-SSDOTTSWSA-N -2 0 363.319 0.066 20 0 FCADRL COc1cc(F)c(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1OC ZINC000275002753 488752338 /nfs/dbraw/zinc/75/23/38/488752338.db2.gz OMCBVWJVCSNTBM-SSDOTTSWSA-N -2 0 365.335 0.297 20 0 FCADRL COC(=O)c1ccc(C)c(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000275010279 488753116 /nfs/dbraw/zinc/75/31/16/488753116.db2.gz PSGNUQJDUWHSJX-JTQLQIEISA-N -2 0 359.356 0.235 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12)C(=O)[O-] ZINC000275023284 488754165 /nfs/dbraw/zinc/75/41/65/488754165.db2.gz SCTLGOAOFPQYEW-ZCFIWIBFSA-N -2 0 361.763 0.670 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000275041235 488755933 /nfs/dbraw/zinc/75/59/33/488755933.db2.gz VPGOZIWWDKFTJW-RXMQYKEDSA-N -2 0 372.218 0.964 20 0 FCADRL COC(=O)c1cc(Cl)cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1 ZINC000275058625 488757637 /nfs/dbraw/zinc/75/76/37/488757637.db2.gz YIZQUWNPHDQBSY-UHFFFAOYSA-N -2 0 365.747 0.287 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1OC ZINC000275070162 488758635 /nfs/dbraw/zinc/75/86/35/488758635.db2.gz GWCWWICFJHQMTF-GHMZBOCLSA-N -2 0 373.383 0.500 20 0 FCADRL CCN(Cc1ccccc1)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000275081601 488759775 /nfs/dbraw/zinc/75/97/75/488759775.db2.gz IULMDVUPXYJXIL-KBPBESRZSA-N -2 0 370.427 0.861 20 0 FCADRL CC(=O)N1CCc2ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc21 ZINC000275081387 488759884 /nfs/dbraw/zinc/75/98/84/488759884.db2.gz NGVUGSVYOMBLHC-LBPRGKRZSA-N -2 0 370.383 0.192 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000275189318 488770674 /nfs/dbraw/zinc/77/06/74/488770674.db2.gz XQXAYPPOSKITKX-HNNXBMFYSA-N -2 0 355.368 0.562 20 0 FCADRL C[C@H](CC(C)(C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000275276684 488779448 /nfs/dbraw/zinc/77/94/48/488779448.db2.gz RFIZKXVWSJZQLP-SSDOTTSWSA-N -2 0 370.387 0.604 20 0 FCADRL COC[C@H](NS(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161825269 488799168 /nfs/dbraw/zinc/79/91/68/488799168.db2.gz ANQRSRFSHVFNCK-QMMMGPOBSA-N -2 0 356.169 0.966 20 0 FCADRL COc1cccc([C@@]2(C)NC(=O)N([N-]C(=O)c3cncc(O)c3)C2=O)c1 ZINC000366187162 489155669 /nfs/dbraw/zinc/15/56/69/489155669.db2.gz QYWRDPMKCCHIHE-QGZVFWFLSA-N -2 0 356.338 0.908 20 0 FCADRL CCOc1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1 ZINC000282860131 489194932 /nfs/dbraw/zinc/19/49/32/489194932.db2.gz OIJOJKOYAYUQFB-STQMWFEESA-N -2 0 357.384 0.881 20 0 FCADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CC(N)=O)n1 ZINC000299027727 489396533 /nfs/dbraw/zinc/39/65/33/489396533.db2.gz XUVSABNCNGDDOB-UHFFFAOYSA-N -2 0 366.399 0.991 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1C(N)=O ZINC000474387292 489759052 /nfs/dbraw/zinc/75/90/52/489759052.db2.gz FSLOPFGCSHCIDQ-UHFFFAOYSA-N -2 0 369.330 0.827 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)c1 ZINC000477533412 489971376 /nfs/dbraw/zinc/97/13/76/489971376.db2.gz GVNNGDCHSUJCND-UHFFFAOYSA-N -2 0 361.339 0.867 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1cccc2c1OC(F)(F)O2)C(=O)[O-] ZINC000564183678 491292763 /nfs/dbraw/zinc/29/27/63/491292763.db2.gz XSMVBGXSRLRFLU-LURJTMIESA-N -2 0 367.282 0.462 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000390320878 490137565 /nfs/dbraw/zinc/13/75/65/490137565.db2.gz XXPJEMBLFVZKDN-MRVPVSSYSA-N -2 0 366.735 0.845 20 0 FCADRL CN(C)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(C(N)=O)c1 ZINC000507019921 490162617 /nfs/dbraw/zinc/16/26/17/490162617.db2.gz HFYMAEJQEURGFV-UHFFFAOYSA-N -2 0 352.372 0.679 20 0 FCADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CC(=O)N(C)C)n1 ZINC000520627235 490172472 /nfs/dbraw/zinc/17/24/72/490172472.db2.gz GYLSSNAPIUMLSQ-UHFFFAOYSA-N -2 0 372.428 0.840 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000547557165 490316850 /nfs/dbraw/zinc/31/68/50/490316850.db2.gz JNGYXHUNNVCIBI-UHFFFAOYSA-N -2 0 372.277 0.183 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cc1OC ZINC000547595284 490326628 /nfs/dbraw/zinc/32/66/28/490326628.db2.gz KFSHVCOUCYLHJH-HNNXBMFYSA-N -2 0 373.383 0.644 20 0 FCADRL COc1cc(C)c(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1OC ZINC000547892995 490379369 /nfs/dbraw/zinc/37/93/69/490379369.db2.gz SRSNWVJKDNYPAJ-SECBINFHSA-N -2 0 361.372 0.466 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])c(C)n1 ZINC000547901342 490382398 /nfs/dbraw/zinc/38/23/98/490382398.db2.gz WDTKPVZFPUDCEO-UHFFFAOYSA-N -2 0 371.396 0.810 20 0 FCADRL CC(=O)Nc1cc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])ccc1C ZINC000547933495 490390636 /nfs/dbraw/zinc/39/06/36/490390636.db2.gz LOSIPZVQMQBMOG-OAHLLOKOSA-N -2 0 372.399 0.797 20 0 FCADRL COc1ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc1OC ZINC000547939910 490392526 /nfs/dbraw/zinc/39/25/26/490392526.db2.gz OWVXADRAGWDNIY-AWEZNQCLSA-N -2 0 361.372 0.548 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)NCCC(=O)[O-])cn1 ZINC000509214979 490404297 /nfs/dbraw/zinc/40/42/97/490404297.db2.gz DHLYMKPJXZAQER-UHFFFAOYSA-N -2 0 358.401 0.487 20 0 FCADRL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1C(N)=O ZINC000499334624 490413684 /nfs/dbraw/zinc/41/36/84/490413684.db2.gz OAQJIAYMKXHWCM-UHFFFAOYSA-N -2 0 352.372 0.635 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)N2CCc3ccccc3C2)C1 ZINC000548246215 490449269 /nfs/dbraw/zinc/44/92/69/490449269.db2.gz DPAUWZIQZZCLAY-INIZCTEOSA-N -2 0 368.411 0.541 20 0 FCADRL C[C@](CNS(=O)(=O)CCOCc1ccccc1)(CC(=O)[O-])C(=O)[O-] ZINC000556701322 491329147 /nfs/dbraw/zinc/32/91/47/491329147.db2.gz LLMHZFXKBNEZQD-OAHLLOKOSA-N -2 0 359.400 0.688 20 0 FCADRL NC(=O)c1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC000548526464 490495136 /nfs/dbraw/zinc/49/51/36/490495136.db2.gz ZIONNQBZAXJNNW-UHFFFAOYSA-N -2 0 364.335 0.983 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000564855607 491331073 /nfs/dbraw/zinc/33/10/73/491331073.db2.gz GTWLVZKPVFSKTI-GMSGAONNSA-N -2 0 370.387 0.460 20 0 FCADRL CC(C)n1ncc2cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])ccc21 ZINC000548534763 490499467 /nfs/dbraw/zinc/49/94/67/490499467.db2.gz OFYWXWSYXMFTMC-LLVKDONJSA-N -2 0 355.372 0.823 20 0 FCADRL COCc1ccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cc1 ZINC000548572629 490508327 /nfs/dbraw/zinc/50/83/27/490508327.db2.gz YYUVCHKRIDJPNA-HNNXBMFYSA-N -2 0 357.384 0.773 20 0 FCADRL C[C@](CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)(CC(=O)[O-])C(=O)[O-] ZINC000548593725 490515009 /nfs/dbraw/zinc/51/50/09/490515009.db2.gz DDHGVKCGBUWMSP-CYBMUJFWSA-N -2 0 358.328 0.377 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1C ZINC000504222940 490792578 /nfs/dbraw/zinc/79/25/78/490792578.db2.gz KRQFYLAIBFTHCH-UHFFFAOYSA-N -2 0 356.360 0.338 20 0 FCADRL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])ccc1O ZINC000540291694 490813654 /nfs/dbraw/zinc/81/36/54/490813654.db2.gz OKOQTQKKMCOWPH-UHFFFAOYSA-N -2 0 354.344 0.583 20 0 FCADRL COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c1 ZINC000517268297 490902314 /nfs/dbraw/zinc/90/23/14/490902314.db2.gz JRABXMXOUIODSU-UHFFFAOYSA-N -2 0 353.356 0.635 20 0 FCADRL CC(C)[C@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000575181066 491543727 /nfs/dbraw/zinc/54/37/27/491543727.db2.gz NQVOHXVVPJRQOS-NSHDSACASA-N -2 0 350.343 0.469 20 0 FCADRL CO[C@@H]1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)[C@H](C(=O)[O-])C1 ZINC000568290920 491567431 /nfs/dbraw/zinc/56/74/31/491567431.db2.gz VOVNQDSZUXQIDM-PWSUYJOCSA-N -2 0 353.400 0.573 20 0 FCADRL CO[C@H]1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)[C@@H](C(=O)[O-])C1 ZINC000568290918 491567561 /nfs/dbraw/zinc/56/75/61/491567561.db2.gz VOVNQDSZUXQIDM-CMPLNLGQSA-N -2 0 353.400 0.573 20 0 FCADRL NC(=O)CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000568398527 491574429 /nfs/dbraw/zinc/57/44/29/491574429.db2.gz GEEQVWGTXFWVIK-ZETCQYMHSA-N -2 0 356.734 0.615 20 0 FCADRL COC(=O)C(C)(C)c1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1 ZINC000568533184 491584004 /nfs/dbraw/zinc/58/40/04/491584004.db2.gz QVPXKNXEIYWMET-UHFFFAOYSA-N -2 0 373.383 0.297 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(Cl)c1 ZINC000568680689 491600161 /nfs/dbraw/zinc/60/01/61/491600161.db2.gz OFVORXPCZXAJDF-VIFPVBQESA-N -2 0 351.764 0.945 20 0 FCADRL Cn1cc(C[C@@H](C[N-]S(=O)(=O)c2c(F)cccc2F)C(=O)[O-])cn1 ZINC000577694111 491642922 /nfs/dbraw/zinc/64/29/22/491642922.db2.gz IJJBEVHQYCLPOH-JTQLQIEISA-N -2 0 359.354 0.920 20 0 FCADRL Cn1cnc([N-]C(=O)c2sccc2S(=O)(=O)[N-]c2cnn(C)c2)n1 ZINC000562186330 491658667 /nfs/dbraw/zinc/65/86/67/491658667.db2.gz IPOSOPFIDMIEPF-UHFFFAOYSA-N -2 0 367.416 0.663 20 0 FCADRL C[C@@H]1CCN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)C[C@@H]1C(=O)[O-] ZINC000569457011 491663052 /nfs/dbraw/zinc/66/30/52/491663052.db2.gz QERGUTWJNLGQBM-LNSDYSHSSA-N -2 0 359.382 0.924 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F ZINC000578261845 491673583 /nfs/dbraw/zinc/67/35/83/491673583.db2.gz BZBLQYNUEYQRQL-YFKPBYRVSA-N -2 0 358.344 0.564 20 0 FCADRL CC[C@@H](NC(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C)c1)C(=O)[O-] ZINC000580612342 491738683 /nfs/dbraw/zinc/73/86/83/491738683.db2.gz CTIMQVZETNEAIE-SECBINFHSA-N -2 0 372.428 0.875 20 0 FCADRL CCCC[C@@H](CNC(=O)c1cc(=O)n(C)[n-]1)NC(=O)c1cc(=O)n(C)[n-]1 ZINC000612289064 491908524 /nfs/dbraw/zinc/90/85/24/491908524.db2.gz BWIVKLZLUWXDPB-JTQLQIEISA-N -2 0 364.406 0.283 20 0 FCADRL CC(C)[C@H](CN(C)C(=O)c1cc(=O)n(C)[n-]1)NC(=O)c1cc(=O)n(C)[n-]1 ZINC000613954593 492005411 /nfs/dbraw/zinc/00/54/11/492005411.db2.gz OWCQVDHEOBEQIX-LBPRGKRZSA-N -2 0 364.406 0.091 20 0 FCADRL COC(=O)c1c(C)cccc1S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000614356080 492025944 /nfs/dbraw/zinc/02/59/44/492025944.db2.gz GDWVCHLZMBDFSF-OAHLLOKOSA-N -2 0 373.383 0.626 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)n1 ZINC000605118812 492082746 /nfs/dbraw/zinc/08/27/46/492082746.db2.gz JXRLVNVUQPYPEN-UHFFFAOYSA-N -2 0 368.371 0.023 20 0 FCADRL Cc1[nH]nc(C(=O)N2CCN(C(=O)c3n[nH]c(C)c3[O-])[C@@H](C)[C@H]2C)c1[O-] ZINC000620746591 492332746 /nfs/dbraw/zinc/33/27/46/492332746.db2.gz CWOUAANKSKFJBR-AOOOYVTPSA-N -2 0 362.390 0.536 20 0 FCADRL COc1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c2ncccc12 ZINC000654772791 492349725 /nfs/dbraw/zinc/34/97/25/492349725.db2.gz KAPKOCACXRMJRK-SECBINFHSA-N -2 0 368.367 0.697 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccnn1CCc1ccccc1)C(=O)[O-] ZINC000621242231 492362665 /nfs/dbraw/zinc/36/26/65/492362665.db2.gz AGDLZBXPTSMNDH-LBPRGKRZSA-N -2 0 367.383 0.332 20 0 FCADRL COc1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1F ZINC000656158773 492558826 /nfs/dbraw/zinc/55/88/26/492558826.db2.gz NPQXWGIELKBSTF-DTWKUNHWSA-N -2 0 361.347 0.630 20 0 FCADRL CCOC1(CS(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])CCOCC1 ZINC000629302031 492604781 /nfs/dbraw/zinc/60/47/81/492604781.db2.gz WCMIRHBAAIDNPK-LLVKDONJSA-N -2 0 367.420 0.200 20 0 FCADRL CO[C@@H](C)c1nc(=NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)s[n-]1 ZINC000629989984 492712481 /nfs/dbraw/zinc/71/24/81/492712481.db2.gz IEZVVHVRGDUKPB-ZETCQYMHSA-N -2 0 357.417 0.686 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)NC2(c3nnn[n-]3)CCCC2)cn1 ZINC000625706898 492866308 /nfs/dbraw/zinc/86/63/08/492866308.db2.gz NIAHJRMEERKYCN-UHFFFAOYSA-N -2 0 351.392 0.166 20 0 FCADRL C[C@@](CNC(=O)C(=O)N=c1nc2n([n-]1)CCCC2)(C(=O)[O-])c1ccccc1 ZINC000652619410 492971877 /nfs/dbraw/zinc/97/18/77/492971877.db2.gz JSOXKNJTAZBGQH-SFHVURJKSA-N -2 0 371.397 0.134 20 0 FCADRL O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)[C@@]3(C(=O)[O-])CC=CCC3)CC2)C1 ZINC000653309729 493091630 /nfs/dbraw/zinc/09/16/30/493091630.db2.gz KLAXXIAXBJGPQB-KPZWWZAWSA-N -2 0 364.398 0.722 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1cnn(Cc2ccccc2)c1)C(=O)[O-] ZINC000681562832 493187056 /nfs/dbraw/zinc/18/70/56/493187056.db2.gz HJBKSAAXZIICJX-CYBMUJFWSA-N -2 0 367.383 0.528 20 0 FCADRL Cc1noc2ncc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc12 ZINC000681579405 493189434 /nfs/dbraw/zinc/18/94/34/493189434.db2.gz NCHHBSMZCWZTPO-ZDUSSCGKSA-N -2 0 357.344 0.375 20 0 FCADRL O=C([O-])C[C@H]1CCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000681589529 493192042 /nfs/dbraw/zinc/19/20/42/493192042.db2.gz VIVGNBITCTVPLF-SSDOTTSWSA-N -2 0 354.344 0.064 20 0 FCADRL C[C@H]1CCN(S(=O)(=O)N[C@@H](Cc2ccc(CC(=O)[O-])cc2)C(=O)[O-])C1 ZINC000684561959 493419297 /nfs/dbraw/zinc/41/92/97/493419297.db2.gz QGUHMOBEZVRBAX-FZMZJTMJSA-N -2 0 370.427 0.486 20 0 FCADRL O=C([O-])[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])CCO1 ZINC000669445236 493504396 /nfs/dbraw/zinc/50/43/96/493504396.db2.gz MLOGDNNVGWWEBD-VIFPVBQESA-N -2 0 355.290 0.885 20 0 FCADRL CCc1nc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cn1CC1CC1 ZINC000663285470 493581733 /nfs/dbraw/zinc/58/17/33/493581733.db2.gz HADKFTZRJUSUHC-OAHLLOKOSA-N -2 0 373.431 0.699 20 0 FCADRL CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@]1(C(=O)[O-])CCOC1 ZINC000594689131 546815571 /nfs/dbraw/zinc/81/55/71/546815571.db2.gz DBADVTMSXFLXMD-OIBJUYFYSA-N -2 0 363.310 0.034 20 0 FCADRL NS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000739197502 599737743 /nfs/dbraw/zinc/73/77/43/599737743.db2.gz IMNVRQIWGQXDBU-UHFFFAOYSA-N -2 0 364.332 0.565 20 0 FCADRL NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000739194011 599739003 /nfs/dbraw/zinc/73/90/03/599739003.db2.gz WSBGMOPYCWTING-UHFFFAOYSA-N -2 0 360.369 0.567 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1 ZINC000738178076 599739319 /nfs/dbraw/zinc/73/93/19/599739319.db2.gz ZZSWIHIMUNRAJT-UHFFFAOYSA-N -2 0 359.385 0.172 20 0 FCADRL O=C([O-])NCCC(=O)Nc1nnc([N-]S(=O)(=O)c2ccccc2)s1 ZINC000739947971 599749733 /nfs/dbraw/zinc/74/97/33/599749733.db2.gz FCKGEPSEOLYADJ-UHFFFAOYSA-N -2 0 371.400 0.935 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]C(=O)CCNC(=O)[O-])cc1OCC ZINC000737211182 599797153 /nfs/dbraw/zinc/79/71/53/599797153.db2.gz XQLZSRHPSLGKTN-UHFFFAOYSA-N -2 0 360.388 0.947 20 0 FCADRL Cc1cc2c[nH]nc2c(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000738333014 599905536 /nfs/dbraw/zinc/90/55/36/599905536.db2.gz YPHBJOXKZVHHMC-UHFFFAOYSA-N -2 0 366.399 0.643 20 0 FCADRL Cc1nn2c(SCC(=O)N(C)c3ccccc3C(=O)[O-])n[n-]c2nc1=O ZINC000738927358 600003413 /nfs/dbraw/zinc/00/34/13/600003413.db2.gz MEWWWCOLOZXWSO-UHFFFAOYSA-N -2 0 374.382 0.574 20 0 FCADRL O=C([O-])c1cccc(C(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)n1 ZINC000740216594 600037639 /nfs/dbraw/zinc/03/76/39/600037639.db2.gz RJIICUPUDYZPHJ-UHFFFAOYSA-N -2 0 361.335 0.959 20 0 FCADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cnn(CC(=O)N(C)C)c2)c1C(=O)[O-] ZINC000738970252 600099909 /nfs/dbraw/zinc/09/99/09/600099909.db2.gz TTXWGWSQWKCVPA-UHFFFAOYSA-N -2 0 370.387 0.680 20 0 FCADRL O=C([O-])CN(CCN1CCOCC1)Cc1nc(=O)c2sccc2[n-]1 ZINC000739790382 600146143 /nfs/dbraw/zinc/14/61/43/600146143.db2.gz HDZCMBAECPZFDB-UHFFFAOYSA-N -2 0 352.416 0.616 20 0 FCADRL Cc1nn(-c2ccc(C(=O)NCc3nnn[n-]3)cc2)c(C)c1CCC(=O)[O-] ZINC000738895224 600174394 /nfs/dbraw/zinc/17/43/94/600174394.db2.gz CMHFDIYOFOYNFB-UHFFFAOYSA-N -2 0 369.385 0.949 20 0 FCADRL O=C([O-])c1cccn2cc(COC(=O)Cn3[n-]cc4c(=O)ncnc3-4)nc12 ZINC000739355922 600175998 /nfs/dbraw/zinc/17/59/98/600175998.db2.gz SWLRMOFANRLIQK-UHFFFAOYSA-N -2 0 368.309 0.161 20 0 FCADRL CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cccc(C(=O)[O-])c1 ZINC000737135976 600178222 /nfs/dbraw/zinc/17/82/22/600178222.db2.gz OGALVTJCVXQSPY-GFCCVEGCSA-N -2 0 370.383 0.387 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000738229520 600199734 /nfs/dbraw/zinc/19/97/34/600199734.db2.gz JYODSHAJBBQZFK-QGZVFWFLSA-N -2 0 357.370 0.860 20 0 FCADRL NC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC000739162169 600234383 /nfs/dbraw/zinc/23/43/83/600234383.db2.gz ZVHQHGPPCODKLN-UHFFFAOYSA-N -2 0 360.298 0.146 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)c1C(=O)[O-] ZINC000738337129 600235538 /nfs/dbraw/zinc/23/55/38/600235538.db2.gz HMHNJZHVMHTBCV-UHFFFAOYSA-N -2 0 354.344 0.148 20 0 FCADRL CCOc1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)ccc1OCC(=O)[O-] ZINC000737185607 600242897 /nfs/dbraw/zinc/24/28/97/600242897.db2.gz YCTXYUOSQNYFPY-LLVKDONJSA-N -2 0 373.383 0.397 20 0 FCADRL Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3cccc(C(=O)[O-])c3C)nc2n1 ZINC000738315010 600247097 /nfs/dbraw/zinc/24/70/97/600247097.db2.gz SHWPRSPNNUYPDY-UHFFFAOYSA-N -2 0 363.355 0.533 20 0 FCADRL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)ccc1F ZINC000736161410 600255055 /nfs/dbraw/zinc/25/50/55/600255055.db2.gz PMMMEPFURZHAKQ-UHFFFAOYSA-N -2 0 356.335 0.866 20 0 FCADRL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000737649353 600391713 /nfs/dbraw/zinc/39/17/13/600391713.db2.gz JNRUGXZEKQHHIA-UHFFFAOYSA-N -2 0 355.328 0.709 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n1 ZINC000739156552 600392448 /nfs/dbraw/zinc/39/24/48/600392448.db2.gz FDOZWDWISOBIIQ-UHFFFAOYSA-N -2 0 356.335 0.397 20 0 FCADRL COCCCn1c(=O)c2ccc(C(=O)OCC(=O)[O-])cc2[n-]c1=S ZINC000737761709 600421779 /nfs/dbraw/zinc/42/17/79/600421779.db2.gz IBMZETSPJDCPQV-UHFFFAOYSA-N -2 0 352.368 0.963 20 0 FCADRL CCOc1cc(C(=O)[N-]S(=O)(=O)CCOC)ccc1OCC(=O)[O-] ZINC000737185384 600422595 /nfs/dbraw/zinc/42/25/95/600422595.db2.gz PCERNHIYVWWOIT-UHFFFAOYSA-N -2 0 361.372 0.255 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ncn(Cc3ccccc3)n2)c1C(=O)[O-] ZINC000738828480 600424167 /nfs/dbraw/zinc/42/41/67/600424167.db2.gz YEMNYZJWNZXJET-UHFFFAOYSA-N -2 0 362.371 0.857 20 0 FCADRL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])s2)s1 ZINC000739180501 600440613 /nfs/dbraw/zinc/44/06/13/600440613.db2.gz KHOWPHQOVCJWCU-UHFFFAOYSA-N -2 0 360.394 0.725 20 0 FCADRL COc1cc(CCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc(OC)c1 ZINC000737883147 600461192 /nfs/dbraw/zinc/46/11/92/600461192.db2.gz JFZAMWNCKWATJL-UHFFFAOYSA-N -2 0 359.400 0.947 20 0 FCADRL CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736385963 600462081 /nfs/dbraw/zinc/46/20/81/600462081.db2.gz SJNKORJVUXYZOA-LLVKDONJSA-N -2 0 366.436 0.847 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(Cn2cncn2)cc1 ZINC000739691445 600462566 /nfs/dbraw/zinc/46/25/66/600462566.db2.gz IDMFDNSUBZQONU-UHFFFAOYSA-N -2 0 352.372 0.251 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])ccc1N1CCNC1=O ZINC000738332687 600463283 /nfs/dbraw/zinc/46/32/83/600463283.db2.gz NEWMKQXZDVNGBW-UHFFFAOYSA-N -2 0 369.399 0.449 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CSCC(=O)N1CCCCC1 ZINC000739692389 600463685 /nfs/dbraw/zinc/46/36/85/600463685.db2.gz OAASOXNHEJMSJS-UHFFFAOYSA-N -2 0 366.461 0.043 20 0 FCADRL Cn1c2ccccc2n(CCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1=O ZINC000739001985 600465082 /nfs/dbraw/zinc/46/50/82/600465082.db2.gz BPUCBCXVMFFWMA-UHFFFAOYSA-N -2 0 369.399 0.041 20 0 FCADRL Cc1ccc(CCC(=O)NCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1 ZINC000738589754 600465610 /nfs/dbraw/zinc/46/56/10/600465610.db2.gz UZGBPKGTTMUVCI-UHFFFAOYSA-N -2 0 370.427 0.355 20 0 FCADRL C[C@H]1Oc2ccccc2N(CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1=O ZINC000736835898 600465643 /nfs/dbraw/zinc/46/56/43/600465643.db2.gz OOAUUCZUCCQDFN-SNVBAGLBSA-N -2 0 370.383 0.111 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CN1c2ccccc2OCCC1=O ZINC000739693054 600466069 /nfs/dbraw/zinc/46/60/69/600466069.db2.gz UTFQPJCWUNFLIS-UHFFFAOYSA-N -2 0 370.383 0.113 20 0 FCADRL COc1c(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(C)nn1C ZINC000737839268 600520608 /nfs/dbraw/zinc/52/06/08/600520608.db2.gz IZDIXYLETJKOOG-UHFFFAOYSA-N -2 0 353.356 0.554 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)C2C[C@@H]3COC[C@H](C2)C3=O)c1 ZINC000740235927 600658541 /nfs/dbraw/zinc/65/85/41/600658541.db2.gz UUGIZHJZFRVUHK-YOGCLGLASA-N -2 0 367.379 0.431 20 0 FCADRL CNC(=O)c1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)ccc1Cl ZINC000324440346 600676342 /nfs/dbraw/zinc/67/63/42/600676342.db2.gz DXWXUIYIVFIKFW-UHFFFAOYSA-N -2 0 372.790 0.782 20 0 FCADRL COC(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000831435326 600688382 /nfs/dbraw/zinc/68/83/82/600688382.db2.gz VADASYDHMKBIIT-UHFFFAOYSA-N -3 0 368.323 0.999 20 0 FCADRL COc1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c(C)c1 ZINC000832174869 600943225 /nfs/dbraw/zinc/94/32/25/600943225.db2.gz XTEFZXWKHIBPSC-UHFFFAOYSA-N -2 0 356.400 0.775 20 0 FCADRL Cc1cc(C(=O)N2CCSC[C@H]2CC(=O)[O-])[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000832861627 600965678 /nfs/dbraw/zinc/96/56/78/600965678.db2.gz HUFYSLRUPPTHHX-MRVPVSSYSA-N -2 0 364.383 0.777 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cn2)cn1 ZINC000833275256 600981966 /nfs/dbraw/zinc/98/19/66/600981966.db2.gz UWSZQFHNMNLKPQ-UHFFFAOYSA-N -2 0 367.387 0.000 20 0 FCADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncn(CC(=O)N(C)C)n1 ZINC000832918774 600984669 /nfs/dbraw/zinc/98/46/69/600984669.db2.gz QGHMMPZLKVCUGV-UHFFFAOYSA-N -2 0 367.387 0.174 20 0 FCADRL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)ccc1C ZINC000825890237 600986309 /nfs/dbraw/zinc/98/63/09/600986309.db2.gz FPAVKJWHEPFGGE-UHFFFAOYSA-N -2 0 353.360 0.430 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)n1 ZINC000833276685 600987741 /nfs/dbraw/zinc/98/77/41/600987741.db2.gz RQZXMNVGYQQHCS-UHFFFAOYSA-N -2 0 365.371 0.438 20 0 FCADRL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1cnn(C)c1 ZINC000826009125 601142039 /nfs/dbraw/zinc/14/20/39/601142039.db2.gz TVJLZGNQZKDTAM-JTQLQIEISA-N -2 0 351.384 0.868 20 0 FCADRL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)s1 ZINC000833087057 601239525 /nfs/dbraw/zinc/23/95/25/601239525.db2.gz YQJOESXXZRDRMN-SFYZADRCSA-N -2 0 360.413 0.543 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n1 ZINC000833081802 601333206 /nfs/dbraw/zinc/33/32/06/601333206.db2.gz JHAOFYAFNVQKTM-UTCJRWHESA-N -2 0 364.383 0.657 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000833323398 601358016 /nfs/dbraw/zinc/35/80/16/601358016.db2.gz KWTFBFAJYWUGDB-UHFFFAOYSA-N -2 0 367.383 0.833 20 0 FCADRL Cn1nc(-c2ccncc2)cc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833060247 601402908 /nfs/dbraw/zinc/40/29/08/601402908.db2.gz YPHFBWCKIDEZQW-UHFFFAOYSA-N -2 0 362.371 0.564 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)Cc2c(F)cccc2F)CC1 ZINC000833116824 601598962 /nfs/dbraw/zinc/59/89/62/601598962.db2.gz POJJNWQMCBCOEW-UHFFFAOYSA-N -2 0 362.354 0.665 20 0 FCADRL O=C([O-])[C@@H]1COCCN1C(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000823845358 601721946 /nfs/dbraw/zinc/72/19/46/601721946.db2.gz CVQIHYJHXYSHJG-LBPRGKRZSA-N -2 0 363.395 0.387 20 0 FCADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc(NC(=O)CO)c1 ZINC000833113322 601841635 /nfs/dbraw/zinc/84/16/35/601841635.db2.gz OLWNTJGHFOHPQT-UHFFFAOYSA-N -2 0 357.369 0.573 20 0 FCADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c1 ZINC000833335546 601963483 /nfs/dbraw/zinc/96/34/83/601963483.db2.gz YQWRHZDXNVKNST-UHFFFAOYSA-N -2 0 368.392 0.910 20 0 FCADRL COc1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000832033839 602203411 /nfs/dbraw/zinc/20/34/11/602203411.db2.gz IIWAYJMMZZFUNO-UHFFFAOYSA-N -2 0 371.371 0.794 20 0 FCADRL CC(C)(CC(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)C(=O)[O-] ZINC000826529586 602389775 /nfs/dbraw/zinc/38/97/75/602389775.db2.gz PXMBGMGFQOSGDE-UHFFFAOYSA-N -2 0 371.411 0.803 20 0 FCADRL COc1cc(C(=O)[O-])cc(NC(=O)C(=O)[N-]OCC(F)(F)F)c1OC ZINC000831887895 604424769 /nfs/dbraw/zinc/42/47/69/604424769.db2.gz QZZBIWJODGGSQZ-UHFFFAOYSA-N -2 0 366.248 0.951 20 0 FCADRL CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000828557846 604813798 /nfs/dbraw/zinc/81/37/98/604813798.db2.gz NUOHTFWROCUCPI-QMMMGPOBSA-N -2 0 360.413 0.510 20 0 FCADRL COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000833723380 604879903 /nfs/dbraw/zinc/87/99/03/604879903.db2.gz AYHJMGMSZAVLLS-UHFFFAOYSA-N -2 0 351.764 0.760 20 0 FCADRL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])c(F)c2)s1 ZINC000833086901 604884649 /nfs/dbraw/zinc/88/46/49/604884649.db2.gz UJGMXRHXNDIUSQ-UHFFFAOYSA-N -2 0 372.355 0.803 20 0 FCADRL CN(CC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000833691768 604991055 /nfs/dbraw/zinc/99/10/55/604991055.db2.gz HXNYTVNDHRARLW-UHFFFAOYSA-N -2 0 355.416 0.280 20 0 FCADRL CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)cn1C ZINC000833687062 605052302 /nfs/dbraw/zinc/05/23/02/605052302.db2.gz CEDIGZOYOPSBNO-UHFFFAOYSA-N -2 0 352.372 0.621 20 0 FCADRL CC(C)(NC(=O)[O-])C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000833461321 605103594 /nfs/dbraw/zinc/10/35/94/605103594.db2.gz MUXRAZYNEDCUGA-UHFFFAOYSA-N -2 0 369.852 0.842 20 0 FCADRL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])nc1 ZINC000833737272 605166111 /nfs/dbraw/zinc/16/61/11/605166111.db2.gz VOWUCOLBLJGJJF-UHFFFAOYSA-N -2 0 356.381 0.984 20 0 FCADRL C[C@@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2cc(C(=O)[O-])no2)C1=O ZINC000833564904 605262053 /nfs/dbraw/zinc/26/20/53/605262053.db2.gz ZXZAZOBMXGMMLS-KRWDZBQOSA-N -2 0 372.337 0.961 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)cn1 ZINC000327452626 663549129 /nfs/dbraw/zinc/54/91/29/663549129.db2.gz JATDDXVHSKRDBD-UHFFFAOYSA-N -2 0 370.362 0.576 20 0 FCADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]NC(=O)NC2CCCC2)c1 ZINC000065832949 663958898 /nfs/dbraw/zinc/95/88/98/663958898.db2.gz KFVYBTZAESWCOZ-UHFFFAOYSA-N -3 0 371.371 0.518 20 0 FCADRL CC(C)C(=O)N[N-]S(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000032082848 666548694 /nfs/dbraw/zinc/54/86/94/666548694.db2.gz IDOYQQHRJCXNMK-SNVBAGLBSA-N -2 0 369.399 0.090 20 0 FCADRL O=C([O-])CCCNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000914746306 666795241 /nfs/dbraw/zinc/79/52/41/666795241.db2.gz ONLLVHZXTQSDLY-JTQLQIEISA-N -2 0 370.383 0.267 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)C1=O ZINC000916105113 666991256 /nfs/dbraw/zinc/99/12/56/666991256.db2.gz OGHPYRPOZPIKCV-AWEZNQCLSA-N -2 0 371.371 0.307 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C1=O ZINC000916105177 666991265 /nfs/dbraw/zinc/99/12/65/666991265.db2.gz UKHWEYWCNYGIHZ-CYBMUJFWSA-N -2 0 357.344 0.004 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1C ZINC000917055728 667049088 /nfs/dbraw/zinc/04/90/88/667049088.db2.gz UPYSCCZUWCOUBP-SNVBAGLBSA-N -3 0 359.356 0.598 20 0 FCADRL COc1cc(S(=O)(=O)N(C)CCCC(=O)[O-])cc(C(=O)[O-])c1OC ZINC000917728239 667084508 /nfs/dbraw/zinc/08/45/08/667084508.db2.gz QNXXOENJHLFCFB-UHFFFAOYSA-N -2 0 361.372 0.887 20 0 FCADRL CC(C)(C)C(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1 ZINC000736238864 667089124 /nfs/dbraw/zinc/08/91/24/667089124.db2.gz HFPJNWFXEFQEAJ-LLVKDONJSA-N -2 0 362.448 0.582 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000759489033 667808063 /nfs/dbraw/zinc/80/80/63/667808063.db2.gz GNQHHKXQKATHHS-UHFFFAOYSA-N -2 0 373.740 0.997 20 0 FCADRL Cc1nnnn1-c1cc([N-]S(=O)(=O)c2ccn(C)n2)ccc1C(=O)[O-] ZINC000743265189 668046349 /nfs/dbraw/zinc/04/63/49/668046349.db2.gz SHPYJRHWOQOJDV-UHFFFAOYSA-N -2 0 363.359 0.203 20 0 FCADRL Cn1nc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1C(=O)[O-] ZINC000776427559 668260765 /nfs/dbraw/zinc/26/07/65/668260765.db2.gz QGXFPULYJXYHFT-UHFFFAOYSA-N -2 0 359.385 0.323 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1c(Cl)nc2ccccn21)C(=O)[O-] ZINC000776436295 668261288 /nfs/dbraw/zinc/26/12/88/668261288.db2.gz AGARPGDUAMNRPP-SSDOTTSWSA-N -2 0 361.763 0.584 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc3c(c2)C(=O)OC3)C1 ZINC000776718029 668290273 /nfs/dbraw/zinc/29/02/73/668290273.db2.gz MJZFLQUQUSCKDK-HNNXBMFYSA-N -2 0 369.351 0.297 20 0 FCADRL O=C([O-])Cc1ccc(C[C@@H](NS(=O)(=O)C[C@H]2CCOC2)C(=O)[O-])cc1 ZINC000794916541 669001468 /nfs/dbraw/zinc/00/14/68/669001468.db2.gz PIFMBWQIHRBCSF-UONOGXRCSA-N -2 0 371.411 0.265 20 0 FCADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)N2CCCCC2)c1 ZINC000819959265 669044022 /nfs/dbraw/zinc/04/40/22/669044022.db2.gz CDQNKKOOBMNXNL-QFIPXVFZSA-N -2 0 360.457 0.650 20 0 FCADRL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)ccc1O ZINC000821090158 669155756 /nfs/dbraw/zinc/15/57/56/669155756.db2.gz SRZQOPKQHUYXHJ-UHFFFAOYSA-N -2 0 354.344 0.583 20 0 FCADRL Cc1nn2cc(S(=O)(=O)[N-]c3cc(C(=O)[O-])n(C)n3)cnc2c1Cl ZINC000821089761 669155806 /nfs/dbraw/zinc/15/58/06/669155806.db2.gz NMQANUAUELFQAN-UHFFFAOYSA-N -2 0 370.778 0.924 20 0 FCADRL COCC1(S(=O)(=O)[N-]C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)CC1 ZINC000816090211 669939520 /nfs/dbraw/zinc/93/95/20/669939520.db2.gz BAFNRIYNQXHMNE-QMMMGPOBSA-N -2 0 360.354 0.315 20 0 FCADRL Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000816095191 669940369 /nfs/dbraw/zinc/94/03/69/669940369.db2.gz UEVRSVWUPNMOOO-QMMMGPOBSA-N -2 0 370.353 0.237 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c(Cl)n1 ZINC000844793513 670944722 /nfs/dbraw/zinc/94/47/22/670944722.db2.gz YRIINWMUGTZOQB-BDAKNGLRSA-N -2 0 362.791 0.839 20 0 FCADRL CCO[N-]C(=O)CNC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000845536006 671017152 /nfs/dbraw/zinc/01/71/52/671017152.db2.gz PVYXABORRRHNBK-UHFFFAOYSA-N -2 0 354.329 0.154 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CCCF ZINC000849231872 671323372 /nfs/dbraw/zinc/32/33/72/671323372.db2.gz IZCGNIOUPOCFCD-HTQZYQBOSA-N -2 0 364.317 0.272 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)c1ccco1 ZINC000849232946 671324029 /nfs/dbraw/zinc/32/40/29/671324029.db2.gz UPMLLVCNZZNONR-IONNQARKSA-N -2 0 370.305 0.564 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000803004715 675902413 /nfs/dbraw/zinc/90/24/13/675902413.db2.gz HCAKLSARDNRCBR-MRVPVSSYSA-N -2 0 360.354 0.316 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cscn1 ZINC000851700868 671460555 /nfs/dbraw/zinc/46/05/55/671460555.db2.gz DIKLCRTZCUXCOQ-POYBYMJQSA-N -2 0 351.306 0.879 20 0 FCADRL CCc1cc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])[nH]n1 ZINC000851701452 671460722 /nfs/dbraw/zinc/46/07/22/671460722.db2.gz GRRGKPUZFUEDTO-SCZZXKLOSA-N -2 0 362.308 0.708 20 0 FCADRL CCn1cc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cn1 ZINC000851702808 671461287 /nfs/dbraw/zinc/46/12/87/671461287.db2.gz MXTHGHBICLNIHP-NXEZZACHSA-N -2 0 362.308 0.639 20 0 FCADRL COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1C ZINC000863408110 672122241 /nfs/dbraw/zinc/12/22/41/672122241.db2.gz JUIUSLVOBFKOLP-VIFPVBQESA-N -2 0 374.371 0.627 20 0 FCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CCC1 ZINC000863953047 672164211 /nfs/dbraw/zinc/16/42/11/672164211.db2.gz JIISRKVDYNBIRD-UHFFFAOYSA-N -2 0 352.368 0.631 20 0 FCADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000863953860 672164553 /nfs/dbraw/zinc/16/45/53/672164553.db2.gz BHHJCXBDXDYDPZ-OAHLLOKOSA-N -2 0 369.399 0.161 20 0 FCADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000863953699 672164613 /nfs/dbraw/zinc/16/46/13/672164613.db2.gz VNNNCJPEZHJYMS-NSHDSACASA-N -2 0 363.413 0.252 20 0 FCADRL CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)s1 ZINC000863954401 672164895 /nfs/dbraw/zinc/16/48/95/672164895.db2.gz XPDKAGGXDQXCMU-NSHDSACASA-N -2 0 362.429 0.546 20 0 FCADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000863959467 672167405 /nfs/dbraw/zinc/16/74/05/672167405.db2.gz FWUUVBJBENDUHD-LBPRGKRZSA-N -2 0 351.331 0.454 20 0 FCADRL COc1c(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CCCC2)c(C)nn1C ZINC000863960040 672167736 /nfs/dbraw/zinc/16/77/36/672167736.db2.gz SYPSKDHPWSXITC-JTQLQIEISA-N -2 0 359.404 0.433 20 0 FCADRL COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000863961198 672168317 /nfs/dbraw/zinc/16/83/17/672168317.db2.gz HBLAMOOYOAHJSE-LLVKDONJSA-N -2 0 372.399 0.346 20 0 FCADRL C[C@H](CC(=O)[O-])NC(=O)c1cnc(I)c([O-])c1 ZINC000901427164 675789795 /nfs/dbraw/zinc/78/97/95/675789795.db2.gz UVCOYXGOQRCUIT-RXMQYKEDSA-N -2 0 350.112 0.985 20 0 FCADRL O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cnc(I)c([O-])c1 ZINC000902657835 675870234 /nfs/dbraw/zinc/87/02/34/675870234.db2.gz IQWUXPPRLFBWRS-KBTIHESUSA-N -2 0 362.123 0.985 20 0 FCADRL CC(=O)N[C@@H](C(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-])C(C)C ZINC000013082394 1171852135 /nfs/dbraw/zinc/85/21/35/1171852135.db2.gz XESGEHAONBGDRS-CQSZACIVSA-N -2 0 359.386 0.500 20 0 FCADRL Cc1c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)nnn1-c1ccc2ncccc2c1 ZINC000820287798 1203183570 /nfs/dbraw/zinc/18/35/70/1203183570.db2.gz CZJDBADXWSJFFG-UHFFFAOYSA-N -2 0 352.314 0.511 20 0 FCADRL Cn1[n-]c(C(=O)Nc2cccc3c(=O)cc(-c4nnn[n-]4)oc23)cc1=O ZINC001194201658 1207923595 /nfs/dbraw/zinc/92/35/95/1207923595.db2.gz PLRNZXWJZWIQLA-UHFFFAOYSA-N -2 0 353.298 0.665 20 0 FCADRL CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)[N-]n3c(=O)[n-][nH]c3=O)c2C1 ZINC000854610859 1209635990 /nfs/dbraw/zinc/63/59/90/1209635990.db2.gz LVKPQVSZKZZDMS-UHFFFAOYSA-N -2 0 365.350 0.090 20 0 FCADRL O=C(NCCCn1cccn1)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000045714987 1211929072 /nfs/dbraw/zinc/92/90/72/1211929072.db2.gz MQUPJCNFDSSAPG-UHFFFAOYSA-N -2 0 369.385 0.809 20 0 FCADRL CCOC(=O)[C@H](OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1ccc(F)cc1 ZINC001223097654 1225681188 /nfs/dbraw/zinc/68/11/88/1225681188.db2.gz SEZSCTUTBAPJQE-RAIGVLPGSA-N -2 0 372.301 0.510 20 0 FCADRL Cc1ccc2oc(=O)cc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2c1 ZINC001223546438 1225714986 /nfs/dbraw/zinc/71/49/86/1225714986.db2.gz GCDPHNRNOBQMPM-XHDPSFHLSA-N -2 0 364.306 0.681 20 0 FCADRL COc1cc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(OC)c1OC ZINC001223630000 1225721819 /nfs/dbraw/zinc/72/18/19/1225721819.db2.gz JHXWRGQZTWMWLP-NOZJJQNGSA-N -2 0 372.326 0.292 20 0 FCADRL COC(=O)c1cc(OC)ccc1COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001223697610 1225727592 /nfs/dbraw/zinc/72/75/92/1225727592.db2.gz YYZFSJPMWZGMSP-DGCLKSJQSA-N -2 0 370.310 0.061 20 0 FCADRL Cc1nc(-c2cccc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2)no1 ZINC001223717903 1225729564 /nfs/dbraw/zinc/72/95/64/1225729564.db2.gz LFKCFNXWIZFDKI-AAEUAGOBSA-N -2 0 364.310 0.625 20 0 FCADRL Cc1nc(-c2cccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2)no1 ZINC001223717904 1225729584 /nfs/dbraw/zinc/72/95/84/1225729584.db2.gz LFKCFNXWIZFDKI-DGCLKSJQSA-N -2 0 364.310 0.625 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc(=O)[nH]c(-c2ccccc2)n1)[C@H](O)C(=O)[O-] ZINC001226184648 1225835035 /nfs/dbraw/zinc/83/50/35/1225835035.db2.gz IHNOTQDBECQFQA-ZANVPECISA-N -2 0 362.294 0.291 20 0 FCADRL COc1cccc2c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(C)nc12 ZINC001228499756 1225927623 /nfs/dbraw/zinc/92/76/23/1225927623.db2.gz BIXZWIGJZNJYRE-BONVTDFDSA-N -2 0 363.322 0.994 20 0 FCADRL COC(=O)c1cccc(C(C)=O)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001231070720 1226098473 /nfs/dbraw/zinc/09/84/73/1226098473.db2.gz WSDVTLYKSYTIIR-CMPLNLGQSA-N -2 0 368.294 0.118 20 0 FCADRL O=C(c1nn(-c2cccc(F)c2)cc1[O-])N1CCC(O)(c2nnn[n-]2)CC1 ZINC001138991840 1222534222 /nfs/dbraw/zinc/53/42/22/1222534222.db2.gz SMDAEYRBGRIANA-UHFFFAOYSA-N -2 0 373.348 0.354 20 0 FCADRL CC[C@@H](CN1CCOCC1)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC001155873453 1223045777 /nfs/dbraw/zinc/04/57/77/1223045777.db2.gz NKHRNNWMOXZCHX-NSHDSACASA-N -2 0 361.402 0.585 20 0 FCADRL Cc1c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)nnn1CCOc1ccc(F)cc1 ZINC001160073563 1223144053 /nfs/dbraw/zinc/14/40/53/1223144053.db2.gz OTMGSNBITJFNRK-UHFFFAOYSA-N -2 0 363.309 0.191 20 0 FCADRL COc1ccc2ccc(=O)oc2c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234388796 1259559344 /nfs/dbraw/zinc/55/93/44/1259559344.db2.gz WUUDHLGUUOLLQD-PELKAZGASA-N -2 0 366.278 0.243 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ncccc1C(=O)c1ccccc1)[C@@H](O)C(=O)[O-] ZINC001234663830 1259564121 /nfs/dbraw/zinc/56/41/21/1259564121.db2.gz QBAALEKEVPGTSH-SWLSCSKDSA-N -2 0 373.317 0.754 20 0 FCADRL COc1cc(F)cc2ccnc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c21 ZINC001234689252 1259564125 /nfs/dbraw/zinc/56/41/25/1259564125.db2.gz PHKIUGXHVVTETL-ZANVPECISA-N -2 0 367.285 0.824 20 0 FCADRL CC(C)C(=O)N(C)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001234835527 1259565052 /nfs/dbraw/zinc/56/50/52/1259565052.db2.gz BTZYTVAUGIBSJZ-JSGCOSHPSA-N -2 0 367.354 0.747 20 0 FCADRL CC(C)C(=O)N(C)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001234835525 1259565091 /nfs/dbraw/zinc/56/50/91/1259565091.db2.gz BTZYTVAUGIBSJZ-GXTWGEPZSA-N -2 0 367.354 0.747 20 0 FCADRL CC(C)OC[C@@H]1CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCO1 ZINC001574318635 1271196280 /nfs/dbraw/zinc/19/62/80/1271196280.db2.gz PHTCZHISMFEVHK-LBPRGKRZSA-N -2 0 374.405 0.241 20 0 FCADRL CCN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C[C@@H](O)C(F)(F)F ZINC001578172566 1275467129 /nfs/dbraw/zinc/46/71/29/1275467129.db2.gz NWIQTYMNVXINLL-SECBINFHSA-N -2 0 372.311 0.360 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC001603187696 1287325297 /nfs/dbraw/zinc/32/52/97/1287325297.db2.gz IZVLSFBRPOUMCG-HTQZYQBOSA-N -2 0 355.372 0.448 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cncc(N2CCOCC2)c1 ZINC001603188655 1287325125 /nfs/dbraw/zinc/32/51/25/1287325125.db2.gz PCEXYTKLEIYSJM-QWRGUYRKSA-N -2 0 371.415 0.087 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cncc(N2CCOCC2)c1 ZINC001603188657 1287325147 /nfs/dbraw/zinc/32/51/47/1287325147.db2.gz PCEXYTKLEIYSJM-WDEREUQCSA-N -2 0 371.415 0.087 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC001603187950 1287325163 /nfs/dbraw/zinc/32/51/63/1287325163.db2.gz LBSLUCJFUYOZHG-GARJFASQSA-N -2 0 360.432 0.333 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cncc(N2CCOCC2)c1 ZINC001603188654 1287325515 /nfs/dbraw/zinc/32/55/15/1287325515.db2.gz PCEXYTKLEIYSJM-MNOVXSKESA-N -2 0 371.415 0.087 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(OC2CCOCC2)cc1 ZINC001603204638 1287330436 /nfs/dbraw/zinc/33/04/36/1287330436.db2.gz QSMJBUQBJPIBMD-SNVBAGLBSA-N -2 0 357.384 0.777 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2cnn(C)c2)o1 ZINC001603189638 1287327125 /nfs/dbraw/zinc/32/71/25/1287327125.db2.gz RXLRAMQWCYOPGI-DTWKUNHWSA-N -2 0 355.372 0.849 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC001603201204 1287327613 /nfs/dbraw/zinc/32/76/13/1287327613.db2.gz FLKVAMLJEPYYTQ-BDAKNGLRSA-N -2 0 364.420 0.551 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O ZINC001603203621 1287328862 /nfs/dbraw/zinc/32/88/62/1287328862.db2.gz CBSZWIKRHBRJAF-ZETCQYMHSA-N -2 0 370.383 0.475 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1 ZINC001603201925 1287329014 /nfs/dbraw/zinc/32/90/14/1287329014.db2.gz PUQBWEFEKUJHRC-BONVTDFDSA-N -2 0 361.416 0.974 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCN(C)C(=O)OCc1ccccc1 ZINC001603205542 1287330321 /nfs/dbraw/zinc/33/03/21/1287330321.db2.gz WZKLUSSKJJIVLC-NSHDSACASA-N -2 0 372.399 0.564 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)COc1cccc(N2CCCC2=O)c1 ZINC001603204451 1287331246 /nfs/dbraw/zinc/33/12/46/1287331246.db2.gz PDFIIQGAKMZSGH-JTQLQIEISA-N -2 0 370.383 0.111 20 0 FCADRL CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)cc1 ZINC001603274193 1287345411 /nfs/dbraw/zinc/34/54/11/1287345411.db2.gz JWUYOLAEQLBMLU-GWCFXTLKSA-N -2 0 371.411 0.817 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@@]1(C)COc2ccccc2O1)C(=O)[O-] ZINC001603659632 1287459301 /nfs/dbraw/zinc/45/93/01/1287459301.db2.gz DFUAJJUSWHIKRV-OAHLLOKOSA-N -2 0 357.384 0.773 20 0 FCADRL CC(C)(CS(=O)(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)[O-])C(=O)[O-] ZINC001603660805 1287460550 /nfs/dbraw/zinc/46/05/50/1287460550.db2.gz RCEQBMBKRQMFMR-LBPRGKRZSA-N -2 0 357.384 0.644 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1sccc1-n1ccnn1)C(=O)[O-] ZINC001603660916 1287460879 /nfs/dbraw/zinc/46/08/79/1287460879.db2.gz SMAUSSPOQRQEAX-UHFFFAOYSA-N -2 0 358.401 0.499 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)Cn1ccc2ccccc2c1=O)C(=O)[O-] ZINC001603661156 1287461111 /nfs/dbraw/zinc/46/11/11/1287461111.db2.gz YNHALKAXAZTQBE-UHFFFAOYSA-N -2 0 366.395 0.558 20 0 FCADRL CC(C)=CC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1 ZINC001603706620 1287475423 /nfs/dbraw/zinc/47/54/23/1287475423.db2.gz BQTDWMYXQXRDEW-NSHDSACASA-N -2 0 368.411 0.802 20 0 FCADRL CC(C)C[C@@H](CNC(=O)C(=O)N1CCSC[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC001603770687 1287490907 /nfs/dbraw/zinc/49/09/07/1287490907.db2.gz ZRVMLWRGFZSOKM-WDEREUQCSA-N -2 0 360.432 0.126 20 0 FCADRL O=C(NCC1CC(Nc2cncc(-c3nn[nH]n3)n2)C1)c1ncccc1O ZINC001582423890 1281489498 /nfs/dbraw/zinc/48/94/98/1281489498.db2.gz IHRFNYAGHHCUPJ-UHFFFAOYSA-N -2 0 367.373 0.378 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001603971622 1287546883 /nfs/dbraw/zinc/54/68/83/1287546883.db2.gz KOKUYGKZTXSGPO-BDAKNGLRSA-N -2 0 356.366 0.966 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC001586100096 1282274759 /nfs/dbraw/zinc/27/47/59/1282274759.db2.gz LBUMWCFGAHXATR-SECBINFHSA-N -2 0 356.308 0.862 20 0 FCADRL C[C@@H]1Cc2n[nH]cc2CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1 ZINC001590327691 1283472322 /nfs/dbraw/zinc/47/23/22/1283472322.db2.gz QXYGNEAPZDMMLC-SECBINFHSA-N -2 0 366.389 0.533 20 0 FCADRL CN([C@@H](C(=O)[O-])c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590997790 1284051168 /nfs/dbraw/zinc/05/11/68/1284051168.db2.gz BRKQJLYBISISAE-GFCCVEGCSA-N -2 0 363.355 0.906 20 0 FCADRL CO[C@H](C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CCC1 ZINC001591314917 1284464538 /nfs/dbraw/zinc/46/45/38/1284464538.db2.gz MXMKNNVLECBUCK-LBPRGKRZSA-N -2 0 359.346 0.473 20 0 FCADRL COCCOc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)C[C@H](C)OC ZINC001591445469 1284602040 /nfs/dbraw/zinc/60/20/40/1284602040.db2.gz LTDGIMQETZVYDC-JTQLQIEISA-N -2 0 371.419 0.669 20 0 FCADRL COc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001591647161 1284779436 /nfs/dbraw/zinc/77/94/36/1284779436.db2.gz WYBMNWYSVOWSHQ-UHFFFAOYSA-N -2 0 359.367 0.994 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1 ZINC001604701159 1287738822 /nfs/dbraw/zinc/73/88/22/1287738822.db2.gz AJPBDCSGDPTRPH-BFUDSRACSA-N -2 0 360.432 0.333 20 0 FCADRL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2ccnc(-c3nn[nH]n3)c2)c1 ZINC001591991884 1285047138 /nfs/dbraw/zinc/04/71/38/1285047138.db2.gz YJJVXWZPPVRXER-UHFFFAOYSA-N -2 0 362.346 0.828 20 0 FCADRL O=C([O-])[C@@H]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)o3)[C@H]2C1 ZINC001593274612 1286058734 /nfs/dbraw/zinc/05/87/34/1286058734.db2.gz PAADVEOANRNCGU-BBBLOLIVSA-N -2 0 367.387 0.724 20 0 FCADRL O=C([O-])CN(C1CCCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001593278667 1286062079 /nfs/dbraw/zinc/06/20/79/1286062079.db2.gz SGCIGORVBIXGDO-UHFFFAOYSA-N -2 0 355.376 0.868 20 0 FCADRL O=S(=O)([N-]c1cccc(Cn2cncn2)c1)c1ccc(-c2nnn[n-]2)o1 ZINC001593445138 1286158781 /nfs/dbraw/zinc/15/87/81/1286158781.db2.gz LIGLGDQSXTUFMA-UHFFFAOYSA-N -2 0 372.370 0.900 20 0 FCADRL O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC001594959817 1286236661 /nfs/dbraw/zinc/23/66/61/1286236661.db2.gz GPGLLFZSYJVAAC-VIFPVBQESA-N -2 0 351.739 0.509 20 0 FCADRL COC(=O)C12CC(C(=O)[N-]S(=O)(=O)c3cc(C)c(C(=O)[O-])o3)(C1)C2 ZINC001598727260 1286402242 /nfs/dbraw/zinc/40/22/42/1286402242.db2.gz PUACHISHXUZNGX-UHFFFAOYSA-N -2 0 357.340 0.434 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)n[nH]c1C(F)(F)F ZINC001600008217 1286422996 /nfs/dbraw/zinc/42/29/96/1286422996.db2.gz ZMBXYJPBJRMOHC-UHFFFAOYSA-N -2 0 353.282 0.819 20 0 FCADRL Cc1c(CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])nnn1-c1ccccc1 ZINC001600012002 1286424147 /nfs/dbraw/zinc/42/41/47/1286424147.db2.gz WZLDVVXPECXEFL-SNVBAGLBSA-N -2 0 352.372 0.037 20 0 FCADRL Cc1cc(=O)oc2cc(OCC(=O)[N-]S(=O)(=O)CC(=O)[O-])ccc12 ZINC001600067374 1286436324 /nfs/dbraw/zinc/43/63/24/1286436324.db2.gz XGWPIKXZWZJBGE-UHFFFAOYSA-N -2 0 355.324 0.011 20 0 FCADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1 ZINC001600123768 1286444889 /nfs/dbraw/zinc/44/48/89/1286444889.db2.gz RKHXAPMGDLKSDF-WCQYABFASA-N -2 0 357.384 0.539 20 0 FCADRL Cc1cc(C)c(N2C[C@@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])CC2=O)c(C)c1 ZINC001600163000 1286449036 /nfs/dbraw/zinc/44/90/36/1286449036.db2.gz ZYMPCSZOTCORGE-LBPRGKRZSA-N -2 0 368.411 0.495 20 0 FCADRL Cc1cc(C)cc([C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C(=O)[O-])c1 ZINC001600170202 1286450105 /nfs/dbraw/zinc/45/01/05/1286450105.db2.gz QKHGKZGGSOFXHX-CQSZACIVSA-N -2 0 355.354 0.630 20 0 FCADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-] ZINC001600240290 1286458182 /nfs/dbraw/zinc/45/81/82/1286458182.db2.gz RZWHGMJCJIOXSN-VIFPVBQESA-N -2 0 363.363 0.679 20 0 FCADRL Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001600289302 1286468823 /nfs/dbraw/zinc/46/88/23/1286468823.db2.gz JQJMGILJNHIVAH-NSHDSACASA-N -2 0 352.343 0.481 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCCS2(=O)=O)oc1C(=O)[O-] ZINC001600297358 1286471532 /nfs/dbraw/zinc/47/15/32/1286471532.db2.gz NTCIQLDJSAAFIT-MRVPVSSYSA-N -2 0 365.385 0.058 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)COCc2ccnn2C)oc1C(=O)[O-] ZINC001600297077 1286471696 /nfs/dbraw/zinc/47/16/96/1286471696.db2.gz JNPMSDMCPLEMOJ-UHFFFAOYSA-N -2 0 357.344 0.041 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCc3cnn(C)c3C2)oc1C(=O)[O-] ZINC001600296363 1286471829 /nfs/dbraw/zinc/47/18/29/1286471829.db2.gz CEZZHTOZCXVLCN-VIFPVBQESA-N -2 0 367.383 0.630 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600475660 1286492458 /nfs/dbraw/zinc/49/24/58/1286492458.db2.gz BRRHMBXJUDTFTB-JQWIXIFHSA-N -3 0 371.367 0.489 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC3(CCOCC3)[C@H]2C(=O)[O-])c(C(=O)[O-])c1 ZINC001600476112 1286492567 /nfs/dbraw/zinc/49/25/67/1286492567.db2.gz ZAUXHSOVYYHBJW-CYBMUJFWSA-N -2 0 369.395 0.948 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CCC(OCC(=O)[O-])CC2)cc1C(=O)[O-] ZINC001600476167 1286492624 /nfs/dbraw/zinc/49/26/24/1286492624.db2.gz CBNPAIWLEVXMBQ-UHFFFAOYSA-N -2 0 357.384 0.948 20 0 FCADRL Cc1cnn(C[C@@H](NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C(=O)[O-])c1 ZINC001600636461 1286518260 /nfs/dbraw/zinc/51/82/60/1286518260.db2.gz DWCYMCTYMVUMBH-GFCCVEGCSA-N -2 0 371.346 0.461 20 0 FCADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ncn(CC(=O)N(C)C)n1 ZINC001600654939 1286519971 /nfs/dbraw/zinc/51/99/71/1286519971.db2.gz OQHPVFYBSOGJEX-UHFFFAOYSA-N -2 0 373.416 0.235 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1C(=O)[O-] ZINC001600673896 1286524821 /nfs/dbraw/zinc/52/48/21/1286524821.db2.gz WRKYAFPGWLMYLG-ZETCQYMHSA-N -2 0 359.385 0.972 20 0 FCADRL Cc1nc(COc2ccccc2C(=O)[N-]S(=O)(=O)CCC(=O)[O-])no1 ZINC001600704700 1286529513 /nfs/dbraw/zinc/52/95/13/1286529513.db2.gz WLWYEXRGBVBHLY-UHFFFAOYSA-N -2 0 369.355 0.491 20 0 FCADRL Cc1nc(CNS(=O)(=O)c2scnc2C(=O)[O-])sc1C(=O)[O-] ZINC001600701686 1286529670 /nfs/dbraw/zinc/52/96/70/1286529670.db2.gz JRCGQIPWDNQHGH-UHFFFAOYSA-N -3 0 363.398 0.783 20 0 FCADRL Cc1ncsc1[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC001600760488 1286540005 /nfs/dbraw/zinc/54/00/05/1286540005.db2.gz DYPUYCWCYHTAEQ-VIFPVBQESA-N -2 0 363.417 0.208 20 0 FCADRL Cc1nn(C)c(C)c1[C@@H](C)C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001600769469 1286541268 /nfs/dbraw/zinc/54/12/68/1286541268.db2.gz ZMRAZZZMVPPCSJ-ZCFIWIBFSA-N -2 0 372.428 0.800 20 0 FCADRL COC1(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CCC1 ZINC001609312564 1289082842 /nfs/dbraw/zinc/08/28/42/1289082842.db2.gz JACJOXHGXIEYEP-UHFFFAOYSA-N -2 0 351.388 0.631 20 0 FCADRL Cc1sc(=O)n(CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])c1C ZINC001600866211 1286559890 /nfs/dbraw/zinc/55/98/90/1286559890.db2.gz JQBUFQSLOFEPMC-RCOVLWMOSA-N -2 0 350.418 0.082 20 0 FCADRL Cc1sc(=O)n(CC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])c1C ZINC001600866208 1286560133 /nfs/dbraw/zinc/56/01/33/1286560133.db2.gz JQBUFQSLOFEPMC-HZGVNTEJSA-N -2 0 350.418 0.082 20 0 FCADRL Cn1cc(-c2nn(C)cc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cn1 ZINC001600924174 1286569979 /nfs/dbraw/zinc/56/99/79/1286569979.db2.gz AHYCVGYQWCKSJV-UHFFFAOYSA-N -2 0 351.344 0.913 20 0 FCADRL Cn1cc(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])nc3)nn2)cn1 ZINC001600922476 1286570196 /nfs/dbraw/zinc/57/01/96/1286570196.db2.gz CXMFTUXBXFTHKY-UHFFFAOYSA-N -2 0 360.355 0.771 20 0 FCADRL Cn1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c2ccccc2c1=O ZINC001600932799 1286572721 /nfs/dbraw/zinc/57/27/21/1286572721.db2.gz RGBRYBMFTHUODM-UHFFFAOYSA-N -2 0 352.368 0.463 20 0 FCADRL Cn1cc(C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2)C(=O)[O-])cn1 ZINC001600948845 1286577606 /nfs/dbraw/zinc/57/76/06/1286577606.db2.gz WOEKRVKBNWENES-GFCCVEGCSA-N -2 0 353.356 0.093 20 0 FCADRL Cn1cc(C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)C(=O)[O-])cn1 ZINC001600948672 1286578020 /nfs/dbraw/zinc/57/80/20/1286578020.db2.gz VPUFVFRISRQACN-LBPRGKRZSA-N -2 0 371.346 0.232 20 0 FCADRL Cn1cc(NC(=O)C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)cc1C(=O)[O-] ZINC001600959342 1286580594 /nfs/dbraw/zinc/58/05/94/1286580594.db2.gz QIXVIUQGSQRDOE-SFHVURJKSA-N -2 0 373.365 0.821 20 0 FCADRL Cn1cc(S(=O)(=O)N(CC(=O)[O-])Cc2ccncc2)cc1C(=O)[O-] ZINC001600967397 1286583942 /nfs/dbraw/zinc/58/39/42/1286583942.db2.gz QDFLNYUWOMRJMC-UHFFFAOYSA-N -2 0 353.356 0.394 20 0 FCADRL Cn1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2)c1=O ZINC001600995260 1286592844 /nfs/dbraw/zinc/59/28/44/1286592844.db2.gz HOATXHZMSTVQFL-UHFFFAOYSA-N -2 0 364.339 0.663 20 0 FCADRL Cn1[n-]c(C(F)(F)F)nc1=NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001601007832 1286596638 /nfs/dbraw/zinc/59/66/38/1286596638.db2.gz HTDMOJCUMVQRET-UHFFFAOYSA-N -2 0 368.268 0.894 20 0 FCADRL Cn1[n-]c(C(F)(F)F)nc1=NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001601007753 1286596674 /nfs/dbraw/zinc/59/66/74/1286596674.db2.gz BGZWFFPIFYGJSF-UHFFFAOYSA-N -2 0 356.307 0.816 20 0 FCADRL Cn1nc(CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c2ccccc21 ZINC001601009855 1286597768 /nfs/dbraw/zinc/59/77/68/1286597768.db2.gz CXHQAFKOZOWABI-UHFFFAOYSA-N -2 0 353.400 0.673 20 0 FCADRL NC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC001601145482 1286653199 /nfs/dbraw/zinc/65/31/99/1286653199.db2.gz QIHMSPQSSXWSHI-OLZOCXBDSA-N -2 0 368.411 0.623 20 0 FCADRL NC(=O)CCCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001601148587 1286656834 /nfs/dbraw/zinc/65/68/34/1286656834.db2.gz GQAXAKCRVJXSQE-UHFFFAOYSA-N -2 0 362.791 0.889 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]C(=O)CN2CCc3ccccc32)c1 ZINC001601320373 1286726610 /nfs/dbraw/zinc/72/66/10/1286726610.db2.gz XUNKQVHAQVKIDE-UHFFFAOYSA-N -2 0 350.352 0.845 20 0 FCADRL O=C([O-])c1cn(CC(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)c2ccccc12 ZINC001601378447 1286736463 /nfs/dbraw/zinc/73/64/63/1286736463.db2.gz VCONGUSMAHNHQD-NSHDSACASA-N -2 0 366.395 0.822 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)Cn1cc(Cl)cn1 ZINC001601383828 1286737453 /nfs/dbraw/zinc/73/74/53/1286737453.db2.gz VYHCCLJOTWABOW-UHFFFAOYSA-N -2 0 350.765 0.196 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CCCNC(=O)c2ccccc2)on1 ZINC001601499403 1286767842 /nfs/dbraw/zinc/76/78/42/1286767842.db2.gz NFWRADAPUAKJBL-UHFFFAOYSA-N -2 0 353.356 0.471 20 0 FCADRL O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3ccc(-n4[nH]c(=O)[n-]c4=O)cc3)[C@@H]2C1 ZINC001601578351 1286787352 /nfs/dbraw/zinc/78/73/52/1286787352.db2.gz LDNKYXSDMIFFHW-WFFHOREQSA-N -2 0 358.354 0.495 20 0 FCADRL O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)C1 ZINC001601761921 1286826871 /nfs/dbraw/zinc/82/68/71/1286826871.db2.gz ATNJOSMZRPUSLW-YUMQZZPRSA-N -2 0 364.276 0.366 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(F)(F)F ZINC001601896350 1286865029 /nfs/dbraw/zinc/86/50/29/1286865029.db2.gz GFPDBTQVLZYNCI-LURJTMIESA-N -2 0 356.278 0.711 20 0 FCADRL O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001602006936 1286894487 /nfs/dbraw/zinc/89/44/87/1286894487.db2.gz XQGPXPKNDVEDFU-UHFFFAOYSA-N -2 0 354.269 0.678 20 0 FCADRL O=C([O-])CCN(Cc1cccnc1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001602008269 1286894868 /nfs/dbraw/zinc/89/48/68/1286894868.db2.gz GFQAPGNRZKKXQO-UHFFFAOYSA-N -2 0 368.371 0.028 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC001602027949 1286908287 /nfs/dbraw/zinc/90/82/87/1286908287.db2.gz LJIRLBQJOPGJRU-AWEZNQCLSA-N -2 0 374.390 0.120 20 0 FCADRL O=C([O-])CC[C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)O1 ZINC001602037414 1286909883 /nfs/dbraw/zinc/90/98/83/1286909883.db2.gz RITBFKCOIGVZLR-GRYCIOLGSA-N -2 0 350.375 0.290 20 0 FCADRL O=C([O-])CCc1cccc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC001602042315 1286911587 /nfs/dbraw/zinc/91/15/87/1286911587.db2.gz OGXJQYXUDIVDLK-INIZCTEOSA-N -2 0 352.318 0.668 20 0 FCADRL O=C([O-])CN(CCc1cccs1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001602057037 1286913688 /nfs/dbraw/zinc/91/36/88/1286913688.db2.gz XZQZBSHEDTXEIX-UHFFFAOYSA-N -2 0 373.412 0.347 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)CCC(=O)CCC(=O)c1cccs1 ZINC001602097669 1286933953 /nfs/dbraw/zinc/93/39/53/1286933953.db2.gz SOXLJJUSCMNCBD-UHFFFAOYSA-N -2 0 361.397 0.591 20 0 FCADRL O=C([O-])CSCCNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001602100130 1286936919 /nfs/dbraw/zinc/93/69/19/1286936919.db2.gz ZCPNDUNXTGKWFY-UHFFFAOYSA-N -2 0 355.340 0.759 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)s1 ZINC001602131158 1286944309 /nfs/dbraw/zinc/94/43/09/1286944309.db2.gz IFVVOIAEPYNXNO-UHFFFAOYSA-N -2 0 362.429 0.156 20 0 FCADRL O=C([O-])Cc1cccc(S(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c1 ZINC001602142270 1286947232 /nfs/dbraw/zinc/94/72/32/1286947232.db2.gz UPUVRAPCWSXIPI-VIFPVBQESA-N -2 0 355.290 0.998 20 0 FCADRL O=C([O-])Cc1cccc(S(=O)(=O)N[C@@H](Cc2ccco2)C(=O)[O-])c1 ZINC001602141948 1286947263 /nfs/dbraw/zinc/94/72/63/1286947263.db2.gz CUBVKKTYMMICAZ-ZDUSSCGKSA-N -2 0 353.352 0.881 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cn1 ZINC001602163207 1286952601 /nfs/dbraw/zinc/95/26/01/1286952601.db2.gz AWWQVRCZKFJZLZ-UHFFFAOYSA-N -2 0 365.367 0.413 20 0 FCADRL O=C([O-])[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@H]1c1ccc(O)cc1 ZINC001602182509 1286960825 /nfs/dbraw/zinc/96/08/25/1286960825.db2.gz BNKHSNJVFPQLOT-WDEREUQCSA-N -2 0 364.383 0.635 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]([C@H]2CCCO2)C2(CO)CCC2)on1 ZINC001602292684 1286983582 /nfs/dbraw/zinc/98/35/82/1286983582.db2.gz CHNPCGUMCXUKSD-PWSUYJOCSA-N -2 0 360.388 0.361 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)s1 ZINC001602393213 1286993253 /nfs/dbraw/zinc/99/32/53/1286993253.db2.gz PQLMKVIWBBIUHW-RQJHMYQMSA-N -3 0 363.369 0.242 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CC3(CCOCC3)[C@@H]2C(=O)[O-])cc1 ZINC001602393055 1286993888 /nfs/dbraw/zinc/99/38/88/1286993888.db2.gz MTGSNYJOFWPWAB-LBPRGKRZSA-N -2 0 355.368 0.639 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)c1 ZINC001602439095 1287000881 /nfs/dbraw/zinc/00/08/81/1287000881.db2.gz NOFWOOBOBMXLMT-CHWSQXEVSA-N -2 0 357.384 0.372 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2cccn3c(=O)[nH]nc23)c1 ZINC001602451850 1287004144 /nfs/dbraw/zinc/00/41/44/1287004144.db2.gz PUXIYDPWDXIJCM-UHFFFAOYSA-N -2 0 362.323 0.252 20 0 FCADRL O=C([O-])c1cn([C@@H]2CCCN(C(=O)c3nc4ccccc4c(=O)[nH]3)C2)nn1 ZINC001602495795 1287012598 /nfs/dbraw/zinc/01/25/98/1287012598.db2.gz VDROAQYRAZMILE-SNVBAGLBSA-N -2 0 368.353 0.690 20 0 FCADRL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]c1ccc(CN2CCOC2=O)cc1 ZINC001602506873 1287019082 /nfs/dbraw/zinc/01/90/82/1287019082.db2.gz DORMHWARPVEQPR-UHFFFAOYSA-N -2 0 366.355 0.861 20 0 FCADRL O=C([O-])c1cnc(C(=O)Nc2ccc(N3CCOCC3)cc2C(=O)[O-])cn1 ZINC001602509289 1287019749 /nfs/dbraw/zinc/01/97/49/1287019749.db2.gz WZKGZDSKLIIZCW-UHFFFAOYSA-N -2 0 372.337 0.962 20 0 FCADRL O=C([O-])c1cnc(C(=O)[N-]S(=O)(=O)CCOc2ccccc2)cn1 ZINC001602509144 1287020217 /nfs/dbraw/zinc/02/02/17/1287020217.db2.gz PPRQHCGGZONQGY-UHFFFAOYSA-N -2 0 351.340 0.313 20 0 FCADRL O=C([O-])c1cncc(C(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)c1 ZINC001602538663 1287022349 /nfs/dbraw/zinc/02/23/49/1287022349.db2.gz ITILQBBHUCIURT-UHFFFAOYSA-N -2 0 361.335 0.959 20 0 FCADRL O=C([O-])c1coc(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c1 ZINC001602551078 1287023980 /nfs/dbraw/zinc/02/39/80/1287023980.db2.gz ZFDNEBIOGQRJAU-SECBINFHSA-N -2 0 355.328 0.254 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]C(=O)C2CCN(CC(F)F)CC2)c1 ZINC001602557420 1287025706 /nfs/dbraw/zinc/02/57/06/1287025706.db2.gz WHZJVDPQXIMJPE-UHFFFAOYSA-N -2 0 366.342 0.760 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)C(F)(F)F)c1 ZINC001602557023 1287026153 /nfs/dbraw/zinc/02/61/53/1287026153.db2.gz OKYFRDKPHIYHCE-YFKPBYRVSA-N -2 0 353.221 0.815 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3ncncc3C2)c1 ZINC001602556030 1287026394 /nfs/dbraw/zinc/02/63/94/1287026394.db2.gz CANKABSCCUEEOP-MRVPVSSYSA-N -2 0 351.340 0.378 20 0 FCADRL O=C([O-])c1csc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@]3(CCOC3)C2)c1 ZINC001602563747 1287027248 /nfs/dbraw/zinc/02/72/48/1287027248.db2.gz JCEJABVCEXYNOW-RNCFNFMXSA-N -2 0 361.397 0.558 20 0 FCADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001602570453 1287028517 /nfs/dbraw/zinc/02/85/17/1287028517.db2.gz PRPRCBVWFMXOQN-IMTBSYHQSA-N -2 0 364.763 0.201 20 0 FCADRL C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001602796202 1287120244 /nfs/dbraw/zinc/12/02/44/1287120244.db2.gz HMLGDNXKVGESHZ-VHSXEESVSA-N -2 0 352.368 0.421 20 0 FCADRL CC[C@H](NS(=O)(=O)c1cc(/C=C\C(=O)[O-])cc(OC)c1OC)C(=O)[O-] ZINC001605103691 1287882089 /nfs/dbraw/zinc/88/20/89/1287882089.db2.gz KBEBGMSJLPQLLU-OMMCCPJFSA-N -2 0 373.383 0.943 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C1=O ZINC001605135183 1287892255 /nfs/dbraw/zinc/89/22/55/1287892255.db2.gz KMFWJXZVWLLAKF-ZDUSSCGKSA-N -2 0 359.335 0.438 20 0 FCADRL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N(C)Cc1n[n-]c(=O)o1 ZINC001605455800 1287966068 /nfs/dbraw/zinc/96/60/68/1287966068.db2.gz KMTGFXUZMDWDJJ-UHFFFAOYSA-N -2 0 374.361 0.264 20 0 FCADRL CCOC(=O)COc1cccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])c1 ZINC001605544841 1287994354 /nfs/dbraw/zinc/99/43/54/1287994354.db2.gz STPWTQZUKLEGLE-UHFFFAOYSA-N -2 0 369.355 0.851 20 0 FCADRL CCOc1cccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001605702765 1288054475 /nfs/dbraw/zinc/05/44/75/1288054475.db2.gz UKXLTOONNHLCTJ-UHFFFAOYSA-N -2 0 356.400 0.857 20 0 FCADRL CCS(=O)(=O)[N-]C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC001605725925 1288062567 /nfs/dbraw/zinc/06/25/67/1288062567.db2.gz LTIFJUXLEJNWEV-LBPRGKRZSA-N -2 0 372.399 0.612 20 0 FCADRL CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001605757054 1288074166 /nfs/dbraw/zinc/07/41/66/1288074166.db2.gz IPOUCLUVXFWMQX-GUBZILKMSA-N -2 0 366.436 0.845 20 0 FCADRL CCc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(C(=O)[O-])c1 ZINC001605818114 1288094918 /nfs/dbraw/zinc/09/49/18/1288094918.db2.gz QBWQXTSACGIOJA-GFCCVEGCSA-N -2 0 350.327 0.198 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)NCCOCC(=O)[O-])cc2[n-]c1=S ZINC001605911831 1288103309 /nfs/dbraw/zinc/10/33/09/1288103309.db2.gz POFWWYFJVKXTFN-UHFFFAOYSA-N -2 0 351.384 0.536 20 0 FCADRL CN1C(=O)c2cccc([N-]S(=O)(=O)c3n[nH]cc3C(=O)[O-])c2C1=O ZINC001606195065 1288205882 /nfs/dbraw/zinc/20/58/82/1288205882.db2.gz IAPHBRWYGREZKG-UHFFFAOYSA-N -2 0 350.312 0.135 20 0 FCADRL Cc1noc(C)c1S(=O)(=O)[N-]c1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001609463353 1289164641 /nfs/dbraw/zinc/16/46/41/1289164641.db2.gz UZUONRLOBQMZNG-UHFFFAOYSA-N -2 0 350.364 0.873 20 0 FCADRL CNC(=O)Nc1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)ccc1F ZINC001606281814 1288250746 /nfs/dbraw/zinc/25/07/46/1288250746.db2.gz YBTJMSYXPXBZFF-UHFFFAOYSA-N -2 0 371.350 0.659 20 0 FCADRL CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001606284147 1288253964 /nfs/dbraw/zinc/25/39/64/1288253964.db2.gz WXRJYQYQDNTKMC-UHFFFAOYSA-N -2 0 352.372 0.885 20 0 FCADRL CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])[nH]2)cc1 ZINC001606285784 1288256070 /nfs/dbraw/zinc/25/60/70/1288256070.db2.gz XLFJKCWHHYEYOW-UHFFFAOYSA-N -2 0 365.367 0.332 20 0 FCADRL CNC(=O)c1n[nH]nc1NC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001606292903 1288257145 /nfs/dbraw/zinc/25/71/45/1288257145.db2.gz ZMMVNPGSIZHDBL-MRXNPFEDSA-N -2 0 358.358 0.425 20 0 FCADRL NC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001606422691 1288305421 /nfs/dbraw/zinc/30/54/21/1288305421.db2.gz QDJFVZNEXBNYDR-UHFFFAOYSA-N -2 0 363.359 0.429 20 0 FCADRL COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NC3(C(=O)[O-])CCC3)cc2)[n-]1 ZINC001606481320 1288339491 /nfs/dbraw/zinc/33/94/91/1288339491.db2.gz XAPNWILDQMYUOP-UHFFFAOYSA-N -2 0 373.365 0.618 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](F)C(=O)[O-])c(Br)o1 ZINC001606570519 1288391418 /nfs/dbraw/zinc/39/14/18/1288391418.db2.gz PRSMLKWZRIOZRN-BYPYZUCNSA-N -2 0 374.140 0.530 20 0 FCADRL COC(=O)c1ccc(CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])cc1 ZINC001606586793 1288397550 /nfs/dbraw/zinc/39/75/50/1288397550.db2.gz NMPQEGRANBHMBM-UWVGGRQHSA-N -2 0 357.384 0.571 20 0 FCADRL COC(=O)c1ccoc1S(=O)(=O)[N-][C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001606622822 1288414417 /nfs/dbraw/zinc/41/44/17/1288414417.db2.gz FUEBBZZEDKZWBY-MWLCHTKSSA-N -2 0 361.372 0.614 20 0 FCADRL COC(=O)c1sc(S(=O)(=O)NCCC(=O)[O-])c(C(=O)[O-])c1C ZINC001606643260 1288421120 /nfs/dbraw/zinc/42/11/20/1288421120.db2.gz JLFIQRATYZWLAC-UHFFFAOYSA-N -2 0 351.358 0.294 20 0 FCADRL COCCOc1ccnc([N-]S(=O)(=O)c2scnc2C(=O)[O-])n1 ZINC001606917595 1288562446 /nfs/dbraw/zinc/56/24/46/1288562446.db2.gz PJFBKZHEBCALOQ-UHFFFAOYSA-N -2 0 360.373 0.457 20 0 FCADRL COCCS(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001606919409 1288562473 /nfs/dbraw/zinc/56/24/73/1288562473.db2.gz KOUREKUXOAPWGV-UHFFFAOYSA-N -2 0 353.356 0.277 20 0 FCADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC001606943004 1288571223 /nfs/dbraw/zinc/57/12/23/1288571223.db2.gz XWOUKYBJKDOSKR-GXFFZTMASA-N -2 0 373.383 0.299 20 0 FCADRL COc1c(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])c(F)c2)c(C)nn1C ZINC001607048903 1288617189 /nfs/dbraw/zinc/61/71/89/1288617189.db2.gz DJHZFRVMCHZODH-UHFFFAOYSA-N -2 0 371.346 0.693 20 0 FCADRL COc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cnc1Br ZINC001607080356 1288650687 /nfs/dbraw/zinc/65/06/87/1288650687.db2.gz VUHSNSIKHJXVQW-YFKPBYRVSA-N -2 0 367.177 0.385 20 0 FCADRL COc1cc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)[O-])ccc1C(=O)[O-] ZINC001607190633 1288682239 /nfs/dbraw/zinc/68/22/39/1288682239.db2.gz KTXUZFRCFMZHQR-CABZTGNLSA-N -2 0 373.383 0.552 20 0 FCADRL COc1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c(F)c1 ZINC001607206477 1288684710 /nfs/dbraw/zinc/68/47/10/1288684710.db2.gz XDGMZERXSPACMR-UHFFFAOYSA-N -2 0 360.363 0.606 20 0 FCADRL COc1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c(C(=O)[O-])c1 ZINC001607270069 1288691357 /nfs/dbraw/zinc/69/13/57/1288691357.db2.gz FBZZKOVUDYNVIL-ONGXEEELSA-N -2 0 364.354 0.901 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C)nn2C)c(CC(=O)[O-])c1 ZINC001607286252 1288693903 /nfs/dbraw/zinc/69/39/03/1288693903.db2.gz XKNALEPZWYDUDR-UHFFFAOYSA-N -2 0 367.383 0.483 20 0 FCADRL COc1cccc([C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C(=O)[O-])c1 ZINC001607312621 1288697925 /nfs/dbraw/zinc/69/79/25/1288697925.db2.gz GQWKMSFJUMTYFA-ZDUSSCGKSA-N -2 0 372.399 0.452 20 0 FCADRL CSCC[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)CCCC(=O)[O-] ZINC001607399033 1288704579 /nfs/dbraw/zinc/70/45/79/1288704579.db2.gz VVOIWVDNSOAPOC-IUCAKERBSA-N -2 0 357.475 0.762 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])nnn1Cc1ccc(F)cc1 ZINC001607509127 1288721607 /nfs/dbraw/zinc/72/16/07/1288721607.db2.gz REZCKFJIAWZIJC-VIFPVBQESA-N -2 0 370.362 0.307 20 0 FCADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001607532823 1288724733 /nfs/dbraw/zinc/72/47/33/1288724733.db2.gz QNEAVTIASICNRE-GFCCVEGCSA-N -2 0 371.346 0.670 20 0 FCADRL Cc1ccccc1CN(C)C(=O)CS(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001607881462 1288742355 /nfs/dbraw/zinc/74/23/55/1288742355.db2.gz XHJBXQKFEKARGF-UHFFFAOYSA-N -2 0 351.384 0.849 20 0 FCADRL Cn1cc(C[C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])s2)C(=O)[O-])cn1 ZINC001608111017 1288770866 /nfs/dbraw/zinc/77/08/66/1288770866.db2.gz QNOLEWOIGWNEJN-SECBINFHSA-N -2 0 373.412 0.402 20 0 FCADRL Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)CC(C)(C)C)cc1C(=O)[O-] ZINC001608121815 1288774826 /nfs/dbraw/zinc/77/48/26/1288774826.db2.gz FGJRUTBAVHGXEA-WDEREUQCSA-N -2 0 362.404 0.252 20 0 FCADRL Cn1nc(-c2ccco2)cc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001608140213 1288779401 /nfs/dbraw/zinc/77/94/01/1288779401.db2.gz VACQYLYEGNYKAM-UHFFFAOYSA-N -2 0 351.344 0.762 20 0 FCADRL Cn1ncc2c1C[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])CC2 ZINC001608160712 1288784451 /nfs/dbraw/zinc/78/44/51/1288784451.db2.gz QPIRFKNOXBSJMD-QMMMGPOBSA-N -2 0 369.424 0.790 20 0 FCADRL Cn1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)n1 ZINC001608167572 1288786300 /nfs/dbraw/zinc/78/63/00/1288786300.db2.gz NHRBQUJYTVHRBQ-UHFFFAOYSA-N -2 0 351.266 0.728 20 0 FCADRL NC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC001608235660 1288797704 /nfs/dbraw/zinc/79/77/04/1288797704.db2.gz BNAKQBUYTMZQMM-UHFFFAOYSA-N -2 0 351.340 0.445 20 0 FCADRL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001608245612 1288801869 /nfs/dbraw/zinc/80/18/69/1288801869.db2.gz OGGNALCBNARARM-WDEREUQCSA-N -2 0 354.384 0.481 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)CCCCc2c[nH]nn2)cc1 ZINC001608302914 1288815703 /nfs/dbraw/zinc/81/57/03/1288815703.db2.gz OLDUJHNRCCTELX-UHFFFAOYSA-N -2 0 366.399 0.862 20 0 FCADRL O=C([O-])c1cc2cccnc2c(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1 ZINC001608373183 1288831639 /nfs/dbraw/zinc/83/16/39/1288831639.db2.gz GUBITCWFOIQTFN-UHFFFAOYSA-N -2 0 364.321 0.956 20 0 FCADRL O=C([O-])c1cnn(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC001608375478 1288832331 /nfs/dbraw/zinc/83/23/31/1288832331.db2.gz AQDUSYARXUTFQU-UHFFFAOYSA-N -2 0 351.340 0.117 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCO2 ZINC001608485159 1288848458 /nfs/dbraw/zinc/84/84/58/1288848458.db2.gz ZLTHNSKEDUBPSM-UHFFFAOYSA-N -2 0 356.337 0.689 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)c2ccc3cc[nH]c3n2)CC1 ZINC001608485025 1288849198 /nfs/dbraw/zinc/84/91/98/1288849198.db2.gz PGGJDIAGMPPIMV-UHFFFAOYSA-N -2 0 352.372 0.334 20 0 FCADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCC3)c1F ZINC001608485050 1288849226 /nfs/dbraw/zinc/84/92/26/1288849226.db2.gz QQIQCDAXWQJWHA-UHFFFAOYSA-N -2 0 371.321 0.924 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)c2ncc3c(F)cccn32)CC1 ZINC001608484567 1288849498 /nfs/dbraw/zinc/84/94/98/1288849498.db2.gz BLAPHIFXNXBFQN-UHFFFAOYSA-N -2 0 370.362 0.245 20 0 FCADRL O=C([O-])C1=NOC2(C1)CCN(S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])CC2 ZINC001608592434 1288858989 /nfs/dbraw/zinc/85/89/89/1288858989.db2.gz GGBPVWYUJPAUAF-JQWIXIFHSA-N -2 0 374.415 0.655 20 0 FCADRL O=C([O-])[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)C[C@]12CCOC2 ZINC001608645266 1288861050 /nfs/dbraw/zinc/86/10/50/1288861050.db2.gz NGWIYJVDNGVQHY-NHYWBVRUSA-N -2 0 361.416 0.384 20 0 FCADRL O=C([O-])CCC1CCN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)CC1 ZINC001608707941 1288868047 /nfs/dbraw/zinc/86/80/47/1288868047.db2.gz ABKPMPRVXZWMKH-UHFFFAOYSA-N -2 0 354.403 0.849 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(c2ccccc2F)C1 ZINC001608717858 1288869307 /nfs/dbraw/zinc/86/93/07/1288869307.db2.gz DUUVEYULINQWCZ-LLVKDONJSA-N -2 0 358.391 0.963 20 0 FCADRL O=C([O-])CCCS(=O)(=O)N[C@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-] ZINC001608718407 1288869428 /nfs/dbraw/zinc/86/94/28/1288869428.db2.gz QJPFRQDKWYYEDY-SSDOTTSWSA-N -2 0 373.309 0.139 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])ccc1Br ZINC001608858900 1288876189 /nfs/dbraw/zinc/87/61/89/1288876189.db2.gz OMUVEIQMBQQWNW-VIFPVBQESA-N -2 0 364.173 0.995 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)on1 ZINC001608860927 1288877063 /nfs/dbraw/zinc/87/70/63/1288877063.db2.gz HELHRHKBWJWXOV-JOYOIKCWSA-N -2 0 360.388 0.219 20 0 FCADRL O=C(C=Cc1ccncn1)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001609519572 1289191509 /nfs/dbraw/zinc/19/15/09/1289191509.db2.gz APAJOULJXFGGBB-OWOJBTEDSA-N -2 0 365.313 0.162 20 0 FCADRL O=C(/C=C/C1CCOCC1)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001609517505 1289191557 /nfs/dbraw/zinc/19/15/57/1289191557.db2.gz AMEQTQATXYDPFV-OWOJBTEDSA-N -2 0 371.357 0.641 20 0 FCADRL CC(=O)CCc1ccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1 ZINC001609569997 1289232247 /nfs/dbraw/zinc/23/22/47/1289232247.db2.gz KVOFBRFXUYEWNF-NSHDSACASA-N -2 0 357.384 0.506 20 0 FCADRL CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)C1 ZINC001609591261 1289248858 /nfs/dbraw/zinc/24/88/58/1289248858.db2.gz PFECDKXEWNCKBG-CQSZACIVSA-N -2 0 358.372 0.350 20 0 FCADRL CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001609621796 1289265909 /nfs/dbraw/zinc/26/59/09/1289265909.db2.gz BUFANLMIDCVDEV-ZETCQYMHSA-N -2 0 364.401 0.046 20 0 FCADRL CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(C)(C)C ZINC001609623097 1289266821 /nfs/dbraw/zinc/26/68/21/1289266821.db2.gz FEPOREKAXZFDAV-CYBMUJFWSA-N -2 0 370.427 0.882 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C[S@](C)=O)c1 ZINC001609638208 1289270170 /nfs/dbraw/zinc/27/01/70/1289270170.db2.gz BXEICJVFFYPTEV-IMXIGIQMSA-N -2 0 361.441 0.734 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cncc(OCC(F)F)c1 ZINC001609639486 1289270789 /nfs/dbraw/zinc/27/07/89/1289270789.db2.gz YLALARPDJDRRLE-SFYZADRCSA-N -2 0 366.342 0.894 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)C1CCN(CC(F)(F)F)CC1 ZINC001609638792 1289270937 /nfs/dbraw/zinc/27/09/37/1289270937.db2.gz LNFQMWBKPKKHJX-BDAKNGLRSA-N -2 0 374.381 0.816 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC001609642488 1289271256 /nfs/dbraw/zinc/27/12/56/1289271256.db2.gz TUAZQLRZXPZHPU-MRVPVSSYSA-N -2 0 364.383 0.882 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C[C@H](c1ccccc1)N1CCOC1=O ZINC001609642520 1289271436 /nfs/dbraw/zinc/27/14/36/1289271436.db2.gz VHUQXTKZCLWFJZ-CMPLNLGQSA-N -2 0 370.383 0.489 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC001609642696 1289271522 /nfs/dbraw/zinc/27/15/22/1289271522.db2.gz BBLXMSWYYPWFMJ-LURJTMIESA-N -2 0 369.804 0.276 20 0 FCADRL CC(C)(C)CC(=O)NCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001609655376 1289274357 /nfs/dbraw/zinc/27/43/57/1289274357.db2.gz SSOGVAJUTZPYRZ-UHFFFAOYSA-N -2 0 356.400 0.742 20 0 FCADRL CC(C)(C)OC(=O)C[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC001609660021 1289275599 /nfs/dbraw/zinc/27/55/99/1289275599.db2.gz VEQWOVYUOOZYCQ-NSHDSACASA-N -2 0 373.383 0.848 20 0 FCADRL C[C@H](CS(=O)(=O)[N-][C@H](CO)c1nc(-c2ccccc2)no1)C(=O)[O-] ZINC001609750525 1289290412 /nfs/dbraw/zinc/29/04/12/1289290412.db2.gz PMGXEYMKDHQHNH-MWLCHTKSSA-N -2 0 355.372 0.410 20 0 FCADRL C[C@@]1(C(=O)[N-]S(=O)(=O)CC(=O)[O-])CCCN1C(=O)c1ccccc1 ZINC001609810350 1289301741 /nfs/dbraw/zinc/30/17/41/1289301741.db2.gz JGPALYJTWXUCQP-HNNXBMFYSA-N -2 0 354.384 0.212 20 0 FCADRL C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)C1 ZINC001609811988 1289302268 /nfs/dbraw/zinc/30/22/68/1289302268.db2.gz WJWILFCCVIMLIS-SJKOYZFVSA-N -2 0 362.338 0.188 20 0 FCADRL CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001609896422 1289325116 /nfs/dbraw/zinc/32/51/16/1289325116.db2.gz ZXDIARXECIMBFF-OTYXRUKQSA-N -2 0 366.436 0.847 20 0 FCADRL CC[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC)C(=O)[O-] ZINC001609921231 1289328100 /nfs/dbraw/zinc/32/81/00/1289328100.db2.gz TYSFADUWUAMKDA-LURJTMIESA-N -2 0 365.385 0.622 20 0 FCADRL CC[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)OC)c1)C(=O)[O-] ZINC001609920879 1289328339 /nfs/dbraw/zinc/32/83/39/1289328339.db2.gz OOIMPZDVEPPEGP-MRVPVSSYSA-N -2 0 359.356 0.561 20 0 FCADRL CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CC1=O ZINC001609979359 1289334787 /nfs/dbraw/zinc/33/47/87/1289334787.db2.gz XQEUDBSQYKASAA-ZDUSSCGKSA-N -2 0 368.411 0.589 20 0 FCADRL CCNC(=O)c1ccc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])c(C)c1 ZINC001610008583 1289343336 /nfs/dbraw/zinc/34/33/36/1289343336.db2.gz LHPHUKRVAJETOB-UHFFFAOYSA-N -2 0 351.359 0.596 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2C)o1 ZINC001610023430 1289349537 /nfs/dbraw/zinc/34/95/37/1289349537.db2.gz BSIWONSRMZBEAT-UHFFFAOYSA-N -2 0 357.344 0.847 20 0 FCADRL CCOC(=O)c1cnc([N-]S(=O)(=O)c2csnc2C(=O)[O-])n1C ZINC001610025160 1289351714 /nfs/dbraw/zinc/35/17/14/1289351714.db2.gz VSUJJEHTOIMESM-UHFFFAOYSA-N -2 0 360.373 0.552 20 0 FCADRL CCOc1cnc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cn1 ZINC001610046961 1289356267 /nfs/dbraw/zinc/35/62/67/1289356267.db2.gz VQGMAVUTSYEOHD-UHFFFAOYSA-N -2 0 365.367 0.833 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)NCC[C@@H](CC(=O)[O-])C(F)(F)F ZINC001610114126 1289378103 /nfs/dbraw/zinc/37/81/03/1289378103.db2.gz CGRJLNXSBRDCNI-ZETCQYMHSA-N -2 0 350.315 0.271 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N[C@H](CC(=O)c1cccs1)C(=O)[O-] ZINC001610114393 1289378845 /nfs/dbraw/zinc/37/88/45/1289378845.db2.gz NKGOMPCBGHBQRH-MRVPVSSYSA-N -2 0 364.401 0.015 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N(C)[C@@H](C(=O)[O-])c1ccc(F)cc1F ZINC001610115929 1289378927 /nfs/dbraw/zinc/37/89/27/1289378927.db2.gz ZVLQEBJFCDIWTJ-GFCCVEGCSA-N -2 0 366.342 0.674 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)c1ccnn1C ZINC001610158760 1289401816 /nfs/dbraw/zinc/40/18/16/1289401816.db2.gz XLMDNCGVOMECPD-GFCCVEGCSA-N -2 0 371.346 0.450 20 0 FCADRL COC(=O)c1cc(OC)c(S(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)s1 ZINC001610203874 1289425767 /nfs/dbraw/zinc/42/57/67/1289425767.db2.gz JCCQOCSHQJGVHG-UHFFFAOYSA-N -2 0 373.368 0.832 20 0 FCADRL COC(=O)c1sc(S(=O)(=O)N[C@H](C)CC(=O)[O-])c(C(=O)[O-])c1C ZINC001610221457 1289431200 /nfs/dbraw/zinc/43/12/00/1289431200.db2.gz NGVHUSXDRKTFKJ-RXMQYKEDSA-N -2 0 365.385 0.683 20 0 FCADRL COC1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001610229004 1289431798 /nfs/dbraw/zinc/43/17/98/1289431798.db2.gz FCOYIABVNLPVSV-UHFFFAOYSA-N -2 0 357.384 0.780 20 0 FCADRL COC1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC001610231263 1289433277 /nfs/dbraw/zinc/43/32/77/1289433277.db2.gz LKKGIOPEUIFINF-UHFFFAOYSA-N -2 0 357.384 0.780 20 0 FCADRL COCCCOc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])cn1 ZINC001610257146 1289439788 /nfs/dbraw/zinc/43/97/88/1289439788.db2.gz XTWSVVJKBMQDIE-QWRGUYRKSA-N -2 0 374.415 0.666 20 0 FCADRL COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001610259056 1289440920 /nfs/dbraw/zinc/44/09/20/1289440920.db2.gz YJRPJCYAMMSGLJ-SSDOTTSWSA-N -2 0 366.779 0.543 20 0 FCADRL COCCOCc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])ccc1F ZINC001610261609 1289442169 /nfs/dbraw/zinc/44/21/69/1289442169.db2.gz FBNHFZMAVOILRX-VIFPVBQESA-N -2 0 363.363 0.521 20 0 FCADRL COCCNC(=O)c1ccccc1[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001610265717 1289443933 /nfs/dbraw/zinc/44/39/33/1289443933.db2.gz YECWJAIQSZSXII-UHFFFAOYSA-N -2 0 358.416 0.915 20 0 FCADRL COc1ccc(Br)c(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c1 ZINC001610311567 1289457508 /nfs/dbraw/zinc/45/75/08/1289457508.db2.gz IUUVQONURWLBJA-LURJTMIESA-N -2 0 366.189 0.990 20 0 FCADRL COc1ccc(CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])cc1C(=O)[O-] ZINC001610332320 1289460764 /nfs/dbraw/zinc/46/07/64/1289460764.db2.gz DKKZOSZNEMAGRK-VIFPVBQESA-N -2 0 352.343 0.189 20 0 FCADRL COc1ccc(CCCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c(OC)c1 ZINC001610331634 1289461220 /nfs/dbraw/zinc/46/12/20/1289461220.db2.gz LMFFFARBXCTLIK-JTQLQIEISA-N -2 0 359.400 0.946 20 0 FCADRL COc1ccccc1CCNC(=O)CS(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001610365929 1289470180 /nfs/dbraw/zinc/47/01/80/1289470180.db2.gz QGWQZNXCRBQIDQ-UHFFFAOYSA-N -2 0 367.383 0.249 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)c1C ZINC001610439905 1289488052 /nfs/dbraw/zinc/48/80/52/1289488052.db2.gz IYIUWPCAICIPAJ-MFKMUULPSA-N -2 0 357.384 0.770 20 0 FCADRL Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)[N-]OC1CCOCC1 ZINC001610477307 1289493228 /nfs/dbraw/zinc/49/32/28/1289493228.db2.gz PEGLSAZNFDAEPA-UHFFFAOYSA-N -2 0 352.343 0.624 20 0 FCADRL Cc1ccc(CN2C[C@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])CC2=O)cc1 ZINC001610500341 1289496224 /nfs/dbraw/zinc/49/62/24/1289496224.db2.gz GRNQYQRBHYLDSK-CYBMUJFWSA-N -2 0 368.411 0.264 20 0 FCADRL Cc1csc(C(=O)[O-])c1NC(=O)C(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001610544457 1289505893 /nfs/dbraw/zinc/50/58/93/1289505893.db2.gz OTSOXRIKPPBMAN-VIFPVBQESA-N -2 0 366.355 0.369 20 0 FCADRL Cc1oc(S(=O)(=O)[N-]c2ccnc(C(=O)N(C)C)c2)cc1C(=O)[O-] ZINC001610587202 1289518136 /nfs/dbraw/zinc/51/81/36/1289518136.db2.gz GNFODDXJBYQMKQ-UHFFFAOYSA-N -2 0 353.356 0.606 20 0 FCADRL Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1C(=O)[O-] ZINC001610606900 1289526073 /nfs/dbraw/zinc/52/60/73/1289526073.db2.gz LRYSHDABDMZZAA-LBPRGKRZSA-N -2 0 356.331 0.967 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)c2cnc3nccnc3c2)s1 ZINC001610701593 1289560772 /nfs/dbraw/zinc/56/07/72/1289560772.db2.gz IDNGFEIZMYWERU-UHFFFAOYSA-N -2 0 364.364 0.903 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)CC1 ZINC001610745045 1289575931 /nfs/dbraw/zinc/57/59/31/1289575931.db2.gz QQLWSQWLGNGXTL-ZDUSSCGKSA-N -2 0 370.383 0.380 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2)C1CC1 ZINC001610754282 1289578968 /nfs/dbraw/zinc/57/89/68/1289578968.db2.gz OMKCEYIUFGUYCM-LLVKDONJSA-N -2 0 371.367 0.688 20 0 FCADRL O=C([O-])C[C@H]1CCCN1C(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001610761694 1289581390 /nfs/dbraw/zinc/58/13/90/1289581390.db2.gz TWSGJXUNLDSLDP-KFWWJZLASA-N -2 0 374.393 0.779 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 ZINC001610775276 1289587933 /nfs/dbraw/zinc/58/79/33/1289587933.db2.gz MSSGSLGHHDICAN-ZDUSSCGKSA-N -2 0 368.411 0.141 20 0 FCADRL O=C([O-])CN(Cc1ccccn1)S(=O)(=O)c1scnc1C(=O)[O-] ZINC001610781448 1289588287 /nfs/dbraw/zinc/58/82/87/1289588287.db2.gz CNCTXEJOFBQRLU-UHFFFAOYSA-N -2 0 357.369 0.512 20 0 FCADRL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N3CC(O)(C4CC4)C3)cc2)[nH]1 ZINC001610791591 1289594878 /nfs/dbraw/zinc/59/48/78/1289594878.db2.gz ITGINDXKRTWWOM-UHFFFAOYSA-N -2 0 357.366 0.390 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1F ZINC001610793837 1289595491 /nfs/dbraw/zinc/59/54/91/1289595491.db2.gz UGLWOWMIHWRMPN-AXTRIDKLSA-N -2 0 369.370 0.873 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n1 ZINC001610801375 1289598662 /nfs/dbraw/zinc/59/86/62/1289598662.db2.gz WFOQYYYIZDCDPT-UHFFFAOYSA-N -2 0 351.344 0.048 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)cc1 ZINC001610829792 1289602572 /nfs/dbraw/zinc/60/25/72/1289602572.db2.gz LZQBYVNMUXYAKU-QWHCGFSZSA-N -2 0 357.384 0.372 20 0 FCADRL O=C([O-])c1ccccc1CS(=O)(=O)N[C@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC001610854213 1289606808 /nfs/dbraw/zinc/60/68/08/1289606808.db2.gz SJOZZSJNQLEKFC-GXFFZTMASA-N -2 0 357.384 0.684 20 0 FCADRL O=C([O-])c1csc(S(=O)(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)c1 ZINC000747848005 836267518 /nfs/dbraw/zinc/26/75/18/836267518.db2.gz KGFCMKYFRCOYGF-UHFFFAOYSA-N -2 0 373.412 0.894 20 0 FCADRL CN1CC[C@@]2(CCN(C(=O)c3ccccc3OP(=O)([O-])[O-])C2)C1=O ZINC001276295838 861395201 /nfs/dbraw/zinc/39/52/01/861395201.db2.gz IRVQRPIGVZZTBI-HNNXBMFYSA-N -2 0 354.299 0.853 20 0 FCADRL CN1CC[C@]2(CCCN2C(=O)c2ccccc2OP(=O)([O-])[O-])C1=O ZINC001276296894 861398268 /nfs/dbraw/zinc/39/82/68/861398268.db2.gz WAIXESNMFBSXHY-OAHLLOKOSA-N -2 0 354.299 0.995 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccccn1 ZINC001116684394 846735786 /nfs/dbraw/zinc/73/57/86/846735786.db2.gz DBKAPDSTGXDTFX-VIFPVBQESA-N -2 0 371.396 0.819 20 0 FCADRL CCOC(=O)c1nc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c[nH]1 ZINC001148917166 849620925 /nfs/dbraw/zinc/62/09/25/849620925.db2.gz NGDMUFQRDPRNDN-UHFFFAOYSA-N -2 0 355.328 0.791 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cnc2cnc(Br)cn21 ZINC001156762779 849925441 /nfs/dbraw/zinc/92/54/41/849925441.db2.gz JJFCCZJWFIVVIC-UHFFFAOYSA-N -2 0 365.080 0.331 20 0 FCADRL O=P([O-])([O-])OCCNc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC001157796152 849995707 /nfs/dbraw/zinc/99/57/07/849995707.db2.gz YGDCJESXNQPPLU-UHFFFAOYSA-N -2 0 351.321 0.387 20 0 FCADRL CC[C@@H]1C(=O)N(C)c2cnc(NCCOP(=O)([O-])[O-])nc2N1C(C)C ZINC001168587131 850590512 /nfs/dbraw/zinc/59/05/12/850590512.db2.gz OTIQLTUKQZIXKQ-SNVBAGLBSA-N -2 0 373.350 0.968 20 0 FCADRL [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1cc([S-])cc([S-])c1)C(=O)[O-] ZINC001170694164 850661484 /nfs/dbraw/zinc/66/14/84/850661484.db2.gz SESNUGCCIRFDTA-ZDUSSCGKSA-N -2 0 366.468 0.910 20 0 FCADRL COc1ccc(Cn2cc(CC(=O)NCCOP(=O)([O-])[O-])cn2)cc1 ZINC001175217420 850756512 /nfs/dbraw/zinc/75/65/12/850756512.db2.gz QUPILJQCWBLYLJ-UHFFFAOYSA-N -2 0 369.314 0.708 20 0 FCADRL O=C(OCc1ccccc1)[C@@H]1C[C@@]1(F)C(=O)NCCOP(=O)([O-])[O-] ZINC001178871369 850936769 /nfs/dbraw/zinc/93/67/69/850936769.db2.gz AUSWPUMWHRHHLG-FZMZJTMJSA-N -2 0 361.262 0.684 20 0 FCADRL CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(C(=O)NCCOP(=O)([O-])[O-])C1 ZINC001179284685 850967111 /nfs/dbraw/zinc/96/71/11/850967111.db2.gz YWRYLDWETWEFPV-QMTHXVAHSA-N -2 0 364.335 0.859 20 0 FCADRL CC(C)(C)OC(=O)N[C@H](CC(=O)NCCOP(=O)([O-])[O-])C1CC1 ZINC001183681049 851263660 /nfs/dbraw/zinc/26/36/60/851263660.db2.gz AROFIMCWTRUBHZ-SNVBAGLBSA-N -2 0 352.324 0.905 20 0 FCADRL COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cn1 ZINC001185271450 851348334 /nfs/dbraw/zinc/34/83/34/851348334.db2.gz NBVMSHMEYMIUID-UHFFFAOYSA-N -2 0 367.339 0.771 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cnc(C(N)=O)nc2)cc1C(=O)[O-] ZINC001185269002 851348468 /nfs/dbraw/zinc/34/84/68/851348468.db2.gz DXKPVFQMDCNIAF-UHFFFAOYSA-N -2 0 352.328 0.083 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2c(C)n(C)nc2C(N)=O)cc1C(=O)[O-] ZINC001185269979 851348685 /nfs/dbraw/zinc/34/86/85/851348685.db2.gz WKHARLVBFGSXDT-UHFFFAOYSA-N -2 0 368.371 0.335 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ncn2)cc1C(=O)[O-] ZINC001185270160 851348772 /nfs/dbraw/zinc/34/87/72/851348772.db2.gz ZAKJJIYPYNIZRT-UHFFFAOYSA-N -2 0 366.355 0.943 20 0 FCADRL NC(=O)c1ccc(F)nc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186150634 851415462 /nfs/dbraw/zinc/41/54/62/851415462.db2.gz JIXDLWMLPVNINA-UHFFFAOYSA-N -2 0 357.294 0.958 20 0 FCADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CCN(c2cccnn2)CC1 ZINC001189877050 851834010 /nfs/dbraw/zinc/83/40/10/851834010.db2.gz DUIKAQOSWBNNJK-UHFFFAOYSA-N -2 0 364.298 0.911 20 0 FCADRL COC(=O)N1CCN(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)CC1 ZINC001189914339 851842133 /nfs/dbraw/zinc/84/21/33/851842133.db2.gz MZZQDYDWGDLGFS-UHFFFAOYSA-N -2 0 372.355 0.156 20 0 FCADRL CC(C)OC(=O)[C@H](C)NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189933906 851845610 /nfs/dbraw/zinc/84/56/10/851845610.db2.gz PCRVYHQVOLJEHT-QMMMGPOBSA-N -2 0 359.356 0.701 20 0 FCADRL O=C([O-])c1cc(C(=O)N[C@H](CO)C(F)(F)F)cc(S(=O)(=O)[O-])c1 ZINC001189934514 851846140 /nfs/dbraw/zinc/84/61/40/851846140.db2.gz VHNFDFVDAPEEDW-MRVPVSSYSA-N -2 0 357.262 0.285 20 0 FCADRL Cn1ccnc1CCNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189941447 851847509 /nfs/dbraw/zinc/84/75/09/851847509.db2.gz LDIPEZMQOJEPHN-UHFFFAOYSA-N -2 0 353.356 0.338 20 0 FCADRL NC(=O)c1cn2c(n1)CN(C(=O)c1ccccc1OP(=O)([O-])[O-])CC2 ZINC001278366371 862306167 /nfs/dbraw/zinc/30/61/67/862306167.db2.gz MGGPUDAUQRDLKB-UHFFFAOYSA-N -2 0 366.270 0.110 20 0 FCADRL NC(=O)c1cnc2n1CCN(C(=O)c1ccccc1OP(=O)([O-])[O-])C2 ZINC001278366742 862306148 /nfs/dbraw/zinc/30/61/48/862306148.db2.gz QFIWIGLBZXNYBU-UHFFFAOYSA-N -2 0 366.270 0.110 20 0 FCADRL COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192149495 852188881 /nfs/dbraw/zinc/18/88/81/852188881.db2.gz NCHVCCKZGGVKEH-LBPRGKRZSA-N -2 0 373.383 0.389 20 0 FCADRL O=C([O-])CCc1ccc(S(=O)(=O)NCCCC[P@](=O)([O-])O)cc1 ZINC001192162841 852190641 /nfs/dbraw/zinc/19/06/41/852190641.db2.gz PIGJZZBHJFNWDQ-UHFFFAOYSA-N -2 0 365.344 0.940 20 0 FCADRL COC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192684078 852275533 /nfs/dbraw/zinc/27/55/33/852275533.db2.gz ZYSVADYJZURGMH-UHFFFAOYSA-N -2 0 367.339 0.527 20 0 FCADRL COc1ncnc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1OC ZINC001192686397 852276602 /nfs/dbraw/zinc/27/66/02/852276602.db2.gz PVQPDHWXGIUOJZ-UHFFFAOYSA-N -2 0 369.355 0.758 20 0 FCADRL O=P([O-])([O-])OCCNS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC001194318513 852577606 /nfs/dbraw/zinc/57/76/06/852577606.db2.gz YISVOLJPZGDRHD-UHFFFAOYSA-N -2 0 350.211 0.488 20 0 FCADRL COc1ccc(CCNC(=S)NCCOP(=O)([O-])[O-])cc1OC ZINC001200084962 853480623 /nfs/dbraw/zinc/48/06/23/853480623.db2.gz NNPLAUYPMVETTJ-UHFFFAOYSA-N -2 0 364.360 0.820 20 0 FCADRL O=C([O-])c1ccc(CO[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])cc1 ZINC001205681590 853625878 /nfs/dbraw/zinc/62/58/78/853625878.db2.gz ZNBWBEBEHZFSIQ-AWEZNQCLSA-N -2 0 359.400 0.490 20 0 FCADRL COC(=O)[C@H](OC(=O)[C@H](O)COP(=O)([O-])[O-])c1ccc(Cl)cc1 ZINC001223578300 856926926 /nfs/dbraw/zinc/92/69/26/856926926.db2.gz ZKFCPDLSJLVTAA-NXEZZACHSA-N -2 0 368.662 0.568 20 0 FCADRL COC(=O)[C@H](OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1ccc(Cl)cc1 ZINC001223577972 856927670 /nfs/dbraw/zinc/92/76/70/856927670.db2.gz XPCIDISVXZEUOU-MVWJERBFSA-N -2 0 374.729 0.634 20 0 FCADRL CCOC(=O)[C@H](OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1ccccc1 ZINC001223617790 856933276 /nfs/dbraw/zinc/93/32/76/856933276.db2.gz GXSRIECWVIZYNR-KGYLQXTDSA-N -2 0 354.311 0.370 20 0 FCADRL COc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(OC)c1OC ZINC001225313571 857034214 /nfs/dbraw/zinc/03/42/14/857034214.db2.gz UKJMITYCUPWXLR-UFBFGSQYSA-N -2 0 358.299 0.154 20 0 FCADRL Cc1cc(O)cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1Br ZINC001225384040 857038506 /nfs/dbraw/zinc/03/85/06/857038506.db2.gz BGTOIHATLFOQQS-SSDOTTSWSA-N -2 0 371.076 0.839 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc(O)ccc1Br)[C@H](O)C(=O)[O-] ZINC001225811048 857062638 /nfs/dbraw/zinc/06/26/38/857062638.db2.gz NZLHVOGDPLISOT-WKEGUHRASA-N -2 0 363.116 0.597 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1nc(Cl)nc2cc(F)ccc21)[C@@H](O)C(=O)[O-] ZINC001226375736 857099416 /nfs/dbraw/zinc/09/94/16/857099416.db2.gz WUSLSUBPYHSMOX-OIBJUYFYSA-N -2 0 372.692 0.864 20 0 FCADRL Cc1nc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(C(F)(F)F)n1 ZINC001226712760 857122105 /nfs/dbraw/zinc/12/21/05/857122105.db2.gz VJRUXZQJKKQSEN-SSDLBLMSSA-N -2 0 352.221 0.246 20 0 FCADRL CCOC(=O)c1c(Cl)cccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001226791585 857125729 /nfs/dbraw/zinc/12/57/29/857125729.db2.gz JXXQRPGBFNNZAN-JMCQJSRRSA-N -2 0 374.729 0.959 20 0 FCADRL CC(=O)Nc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(Cl)c1 ZINC001226880094 857128691 /nfs/dbraw/zinc/12/86/91/857128691.db2.gz LZSTWLIJCPXSEV-QPUJVOFHSA-N -2 0 359.718 0.740 20 0 FCADRL CCOC(=O)c1sc(C)nc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227059415 857139359 /nfs/dbraw/zinc/13/93/59/857139359.db2.gz BMDDQURDXDRQNA-HTRCEHHLSA-N -2 0 361.328 0.070 20 0 FCADRL CCOC(=O)c1cccc(O)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227158927 857147052 /nfs/dbraw/zinc/14/70/52/857147052.db2.gz ACEDBDNBXFTHFJ-KCJUWKMLSA-N -2 0 356.283 0.011 20 0 FCADRL COc1ccc(F)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1Cl ZINC001227356425 857156488 /nfs/dbraw/zinc/15/64/88/857156488.db2.gz OBSCZIGKACZHOR-XUOSJQGZSA-N -2 0 350.682 0.930 20 0 FCADRL COc1ccc(F)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1Cl ZINC001227356402 857156884 /nfs/dbraw/zinc/15/68/84/857156884.db2.gz OBSCZIGKACZHOR-FWOIEVBISA-N -2 0 350.682 0.930 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ncnc2ccc(Cl)cc21)[C@H](O)C(=O)[O-] ZINC001227964138 857186259 /nfs/dbraw/zinc/18/62/59/857186259.db2.gz KHEPMWSQJGHTAI-KWQFWETISA-N -2 0 354.702 0.725 20 0 FCADRL Cc1cc(Br)cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001228058402 857190694 /nfs/dbraw/zinc/19/06/94/857190694.db2.gz JBXSTBBBUUGRTL-XCBNKYQSSA-N -2 0 362.132 0.594 20 0 FCADRL COc1cc2c(cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])C=NCC2 ZINC001228093723 857191714 /nfs/dbraw/zinc/19/17/14/857191714.db2.gz ZXSPMXRCJCHDJT-QMTHXVAHSA-N -2 0 351.311 0.112 20 0 FCADRL CCOCc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(OC)c1 ZINC001228169288 857194563 /nfs/dbraw/zinc/19/45/63/857194563.db2.gz FRULWWCFNMADJR-YGRLFVJLSA-N -2 0 356.327 0.674 20 0 FCADRL O=C(Oc1ccc2c3c1CCCN3CCC2)[C@H](O)COP(=O)([O-])[O-] ZINC001228426677 857208398 /nfs/dbraw/zinc/20/83/98/857208398.db2.gz NLUVNRPTCRLRNA-GFCCVEGCSA-N -2 0 357.299 0.761 20 0 FCADRL Cc1nc2c(c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1)CSCC2 ZINC001228824805 857231250 /nfs/dbraw/zinc/23/12/50/857231250.db2.gz STUYJCCLWLUEJO-WRWORJQWSA-N -2 0 356.356 0.016 20 0 FCADRL CCOC(=O)c1cc(Cl)ccc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001229563565 857274765 /nfs/dbraw/zinc/27/47/65/857274765.db2.gz SUWLNVRXRWBRSI-SECBINFHSA-N -2 0 368.662 0.892 20 0 FCADRL COC(=O)c1cc(Cl)c(C)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001229853879 857290636 /nfs/dbraw/zinc/29/06/36/857290636.db2.gz JAXNNXDYHNKPBG-UFBFGSQYSA-N -2 0 374.729 0.877 20 0 FCADRL C[C@@H]1Cc2cccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2C(=O)O1 ZINC001229977869 857295875 /nfs/dbraw/zinc/29/58/75/857295875.db2.gz XTPPMEWXALEBKX-JPVBRFOXSA-N -2 0 352.295 0.230 20 0 FCADRL C[C@@H]1C[C@@H](Oc2c(O)cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])CCO1 ZINC001230143911 857307381 /nfs/dbraw/zinc/30/73/81/857307381.db2.gz JMMAMBMLQBDYTI-SFYZADRCSA-N -2 0 368.385 0.832 20 0 FCADRL CCc1c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cccc1C(=O)OC ZINC001230367196 857329742 /nfs/dbraw/zinc/32/97/42/857329742.db2.gz DWICZWJELVPXGM-ZWNOBZJWSA-N -2 0 354.311 0.477 20 0 FCADRL COc1ccc2c(c1)ncnc2OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230868659 857350251 /nfs/dbraw/zinc/35/02/51/857350251.db2.gz VMAIANSZBWAQHJ-CABZTGNLSA-N -2 0 350.283 0.080 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2cccc(Cl)c21)[C@@H](O)C(=O)[O-] ZINC001230884245 857350781 /nfs/dbraw/zinc/35/07/81/857350781.db2.gz DYTVUKLQFORXAF-XUOSJQGZSA-N -3 0 370.701 0.431 20 0 FCADRL Cn1c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc2cc(Cl)cnc21 ZINC001231086837 857355787 /nfs/dbraw/zinc/35/57/87/857355787.db2.gz GBFUTTAPBTXKQQ-IMTBSYHQSA-N -2 0 357.706 0.064 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc(=O)oc2ccc(Cl)cc12)[C@@H](O)C(=O)[O-] ZINC001231174417 857356667 /nfs/dbraw/zinc/35/66/67/857356667.db2.gz AMAFMTBGHQNFBC-ISVAXAHUSA-N -2 0 370.697 0.888 20 0 FCADRL COc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(C)cc1C(C)=O ZINC001231129741 857356794 /nfs/dbraw/zinc/35/67/94/857356794.db2.gz OZQBYVOYHVKROD-HZMBPMFUSA-N -2 0 354.311 0.648 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(=O)oc2ccc(Cl)cc12)[C@H](O)C(=O)[O-] ZINC001231174418 857356917 /nfs/dbraw/zinc/35/69/17/857356917.db2.gz AMAFMTBGHQNFBC-OQPBUACISA-N -2 0 370.697 0.888 20 0 FCADRL COC(=O)c1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(OC)cc1C ZINC001231369602 857359609 /nfs/dbraw/zinc/35/96/09/857359609.db2.gz AEKYWOMVTYAKGB-SECBINFHSA-N -2 0 364.243 0.166 20 0 FCADRL CCOC(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1F ZINC001233593530 857387314 /nfs/dbraw/zinc/38/73/14/857387314.db2.gz JJPIGJQQHKQCAE-SNVBAGLBSA-N -2 0 352.207 0.378 20 0 FCADRL CCCC(=O)c1ccc([O-])cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001233650524 857388664 /nfs/dbraw/zinc/38/86/64/857388664.db2.gz MDNVQXCLCFODMB-IINYFYTJSA-N -2 0 354.311 0.817 20 0 FCADRL Cc1cc2c(cc1F)ncnc2OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001233850120 857391066 /nfs/dbraw/zinc/39/10/66/857391066.db2.gz JVHJZILPQCNSQW-QPUJVOFHSA-N -2 0 352.274 0.519 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1nc(Cl)nc2ccsc21)[C@@H](O)C(=O)[O-] ZINC001233877960 857391162 /nfs/dbraw/zinc/39/11/62/857391162.db2.gz INUYFRYXEUEBEZ-CLZZGJSISA-N -2 0 360.731 0.787 20 0 FCADRL Cc1cc2c(cc1F)ncnc2OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001233850117 857391457 /nfs/dbraw/zinc/39/14/57/857391457.db2.gz JVHJZILPQCNSQW-PRHODGIISA-N -2 0 352.274 0.519 20 0 FCADRL CCOC(=O)c1c(=O)c2ccsc2[n-]c1OC(=O)[C@H](O)CC(=O)[O-] ZINC001234597001 857409993 /nfs/dbraw/zinc/40/99/93/857409993.db2.gz NODCRSIBHIKLAC-SSDOTTSWSA-N -2 0 355.324 0.920 20 0 FCADRL CCOC(=O)c1ccc(OC)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001234757704 857412387 /nfs/dbraw/zinc/41/23/87/857412387.db2.gz AQDYCVZLUJEJHW-SNVBAGLBSA-N -2 0 364.243 0.248 20 0 FCADRL Cc1ccc2c(c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])CCCC2=O ZINC001234851345 857413818 /nfs/dbraw/zinc/41/38/18/857413818.db2.gz IQZGBBBEYONBMN-SMDDNHRTSA-N -2 0 350.323 0.956 20 0 FCADRL CCN1c2ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc2C(C)(C)C1=O ZINC001234899357 857414840 /nfs/dbraw/zinc/41/48/40/857414840.db2.gz LFWZVAOUEQYRGH-GFCCVEGCSA-N -2 0 373.298 0.706 20 0 FCADRL CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccn2)cc1 ZINC001259281177 858253602 /nfs/dbraw/zinc/25/36/02/858253602.db2.gz LWNCTPIFSGDKRY-UHFFFAOYSA-N -2 0 355.397 0.707 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)C2CCOCC2)c1 ZINC001259916119 858305659 /nfs/dbraw/zinc/30/56/59/858305659.db2.gz OAWHWSLNKIFBHJ-UHFFFAOYSA-N -2 0 364.445 0.563 20 0 FCADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(C(N)=O)nn1C ZINC001260210631 858355246 /nfs/dbraw/zinc/35/52/46/858355246.db2.gz QRVMKBAIDWIVMY-UHFFFAOYSA-N -2 0 370.362 0.720 20 0 FCADRL COC(=O)c1nsnc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260393488 858366515 /nfs/dbraw/zinc/36/65/15/858366515.db2.gz KYUOFANUCUBZSM-UHFFFAOYSA-N -2 0 359.341 0.529 20 0 FCADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)CCCC(=O)[O-] ZINC001261842579 858683652 /nfs/dbraw/zinc/68/36/52/858683652.db2.gz BLWBXAHUPHWLGI-UHFFFAOYSA-N -2 0 358.372 0.713 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1cnc(Cl)cc1Cl)C(=O)[O-] ZINC001329670978 872170214 /nfs/dbraw/zinc/17/02/14/872170214.db2.gz BUCQLOMNOOSIET-RXMQYKEDSA-N -2 0 357.171 0.842 20 0 FCADRL O=C([O-])[C@@H](CC(F)(F)F)NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000323357304 970994686 /nfs/dbraw/zinc/99/46/86/970994686.db2.gz VTRHVXZIJIRLGY-ZCFIWIBFSA-N -2 0 358.250 0.984 20 0 FCADRL CC(C)n1nnc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(F)c2)n1 ZINC001574471098 949528108 /nfs/dbraw/zinc/52/81/08/949528108.db2.gz JEXCTHBJERRNNL-UHFFFAOYSA-N -2 0 353.343 0.374 20 0 FCADRL O=C([O-])c1cnc(C(=O)[N-]S(=O)(=O)c2cccc3cnccc32)cn1 ZINC001595266629 949752730 /nfs/dbraw/zinc/75/27/30/949752730.db2.gz OAQPTLDFLYGSEV-UHFFFAOYSA-N -2 0 358.335 0.842 20 0 FCADRL O=Cc1ccc(-c2ccc(C(=O)N3CCN(C(=O)C(=O)[O-])CC3)c([O-])c2)o1 ZINC001595295290 950117555 /nfs/dbraw/zinc/11/75/55/950117555.db2.gz BUXNTGPLAPSEFD-UHFFFAOYSA-N -2 0 372.333 0.834 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cnc(C(=O)[O-])cn2)cn1 ZINC001592733531 951363427 /nfs/dbraw/zinc/36/34/27/951363427.db2.gz QXPUXRRVWWQTAU-UHFFFAOYSA-N -2 0 352.328 0.087 20 0 FCADRL O=C([O-])CN1CCCC[C@H](NC(=O)c2nn(-c3ccccc3)cc2[O-])C1=O ZINC001595096400 951817814 /nfs/dbraw/zinc/81/78/14/951817814.db2.gz NXXAUVXHYIHDEC-ZDUSSCGKSA-N -2 0 372.381 0.773 20 0 FCADRL O=C([O-])CN1CCCC[C@@H](NS(=O)(=O)c2cc([O-])cc(F)c2)C1=O ZINC001595097149 951827587 /nfs/dbraw/zinc/82/75/87/951827587.db2.gz WCGNJYFVBADHPC-GFCCVEGCSA-N -2 0 360.363 0.275 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@]2(C)C(=O)[O-])c1 ZINC001593706539 954149435 /nfs/dbraw/zinc/14/94/35/954149435.db2.gz AODSMCGINYIWSV-OAHLLOKOSA-N -2 0 356.400 0.722 20 0 FCADRL NS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000385983151 972024861 /nfs/dbraw/zinc/02/48/61/972024861.db2.gz DGAFBSCKBYRRKL-UHFFFAOYSA-N -2 0 362.410 0.895 20 0 FCADRL NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)c1 ZINC000387023277 972098187 /nfs/dbraw/zinc/09/81/87/972098187.db2.gz IUJRLOGFJCAEBB-UHFFFAOYSA-N -2 0 362.410 0.895 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC001594659218 956516883 /nfs/dbraw/zinc/51/68/83/956516883.db2.gz FJWKPCCWZNMZKK-UHFFFAOYSA-N -2 0 356.400 0.947 20 0 FCADRL O=C([O-])[C@@H]1CC(C(=O)NC2(c3nnn[n-]3)CCC2)=NN1c1ccccc1 ZINC001594724558 956990484 /nfs/dbraw/zinc/99/04/84/956990484.db2.gz JXTTVIAPHATNLI-LBPRGKRZSA-N -2 0 355.358 0.415 20 0 FCADRL COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]NC(=O)C(C)C)c1OC ZINC000013360394 957037979 /nfs/dbraw/zinc/03/79/79/957037979.db2.gz SNBKSRXLOIMVFF-AATRIKPKSA-N -2 0 372.399 0.767 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC[C@H](C(=O)[O-])[C@H](C)C3)cc2=O)n1 ZINC001594305364 957962715 /nfs/dbraw/zinc/96/27/15/957962715.db2.gz CSGYPKLZXSVFLG-SKDRFNHKSA-N -2 0 359.386 0.755 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC[C@H](C)[C@H](C(=O)[O-])C3)cc2=O)n1 ZINC001594305332 957963127 /nfs/dbraw/zinc/96/31/27/957963127.db2.gz ANALHMUQSBIUPC-JOYOIKCWSA-N -2 0 359.386 0.755 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cn1 ZINC001594169282 958973195 /nfs/dbraw/zinc/97/31/95/958973195.db2.gz JWNRFAWZZCGIAX-CYBMUJFWSA-N -2 0 363.395 0.879 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c1 ZINC001574232705 960419367 /nfs/dbraw/zinc/41/93/67/960419367.db2.gz PPSLLXVKIDTMCF-JPQMIFPKSA-N -2 0 370.427 0.241 20 0 FCADRL CCC/C=C\[C@H](O)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001573841396 961081658 /nfs/dbraw/zinc/08/16/58/961081658.db2.gz SLSDFSGLNXHSBD-HUIGSUGLSA-N -2 0 366.336 0.826 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588785027 961338131 /nfs/dbraw/zinc/33/81/31/961338131.db2.gz BFRPHIXVVLYSJJ-MRVPVSSYSA-N -2 0 367.324 0.025 20 0 FCADRL CC[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001573936810 961602927 /nfs/dbraw/zinc/60/29/27/961602927.db2.gz VGOWXFJNJUOQEY-ZNSHCXBVSA-N -2 0 366.336 0.924 20 0 FCADRL COC(=O)CCN(CC(=O)[O-])C(=O)c1ccccc1[N-]S(C)(=O)=O ZINC001574056145 962186134 /nfs/dbraw/zinc/18/61/34/962186134.db2.gz JCASGUVDJYCNBA-UHFFFAOYSA-N -2 0 358.372 0.148 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCc1cncnc1 ZINC001574647080 962390381 /nfs/dbraw/zinc/39/03/81/962390381.db2.gz LBFPQCUOIJTVLF-JQWIXIFHSA-N -2 0 374.319 0.532 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCc1cncnc1 ZINC001574647081 962391098 /nfs/dbraw/zinc/39/10/98/962391098.db2.gz LBFPQCUOIJTVLF-PWSUYJOCSA-N -2 0 374.319 0.532 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)COC(F)(F)F ZINC001574647434 962392460 /nfs/dbraw/zinc/39/24/60/962392460.db2.gz NZWLRGGJELLCPG-FSPLSTOPSA-N -2 0 366.214 0.646 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ncccc1F ZINC001574649195 962413032 /nfs/dbraw/zinc/41/30/32/962413032.db2.gz XXWRFLUTNDDHNZ-WCBMZHEXSA-N -2 0 363.267 0.957 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccsn1 ZINC001574649374 962414944 /nfs/dbraw/zinc/41/49/44/962414944.db2.gz ZHWHWQVVQMSBEL-XPUUQOCRSA-N -2 0 351.306 0.879 20 0 FCADRL COCc1ccccc1S(=O)(=O)[N-]C(=O)c1cnc(C(=O)[O-])cn1 ZINC001610273376 970713408 /nfs/dbraw/zinc/71/34/08/970713408.db2.gz YPZKYFGVZSQDED-UHFFFAOYSA-N -2 0 351.340 0.440 20 0 FCADRL Cc1nnccc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001605444749 973510672 /nfs/dbraw/zinc/51/06/72/973510672.db2.gz SWWMZPWFIQAXAY-ZJUUUORDSA-N -2 0 360.292 0.521 20 0 FCADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)c1 ZINC001606508544 973999250 /nfs/dbraw/zinc/99/92/50/973999250.db2.gz MYKPUPUHWICUTJ-UHFFFAOYSA-N -2 0 351.340 0.483 20 0 FCADRL COc1nc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])co1 ZINC001604907018 974174473 /nfs/dbraw/zinc/17/44/73/974174473.db2.gz VNGUFCJDXFAPIX-XPUUQOCRSA-N -2 0 365.264 0.420 20 0 FCADRL CCOC(=O)c1nc(NC(=O)c2cccn(CC(=O)[O-])c2=O)[n-]c1Cl ZINC001603810522 974281410 /nfs/dbraw/zinc/28/14/10/974281410.db2.gz GXYNFBKCMPVVFS-UHFFFAOYSA-N -2 0 368.733 0.738 20 0 FCADRL CC(C)OC[C@H](NS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1)C(=O)[O-] ZINC001591730630 975696370 /nfs/dbraw/zinc/69/63/70/975696370.db2.gz CZKJIXXPOMTWEP-LBPRGKRZSA-N -2 0 363.363 0.609 20 0 FCADRL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])N1Cc2ccccc2C1=O ZINC001591831153 976097565 /nfs/dbraw/zinc/09/75/65/976097565.db2.gz IMWLDMOAURKPGK-AWEZNQCLSA-N -2 0 368.411 0.588 20 0 FCADRL C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001592406112 977980506 /nfs/dbraw/zinc/98/05/06/977980506.db2.gz MGOUDBMCEXRCOO-LLVKDONJSA-N -2 0 351.421 0.509 20 0 FCADRL C[C@@H](C[C@@H]1CCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1)C(=O)[O-] ZINC001592463729 978191752 /nfs/dbraw/zinc/19/17/52/978191752.db2.gz HZUKGXBZLMXNJU-RYUDHWBXSA-N -2 0 362.448 0.851 20 0 FCADRL C[C@H](CN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C1CC1)C(=O)[O-] ZINC001592562815 978451735 /nfs/dbraw/zinc/45/17/35/978451735.db2.gz NHRFOHKLXIBCQN-SNVBAGLBSA-N -2 0 370.427 0.968 20 0 FCADRL C[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(=O)[O-] ZINC001592716342 979215647 /nfs/dbraw/zinc/21/56/47/979215647.db2.gz QWQLZWIXMCPODI-BYPYZUCNSA-N -2 0 356.150 0.739 20 0 FCADRL C[C@H](NC(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001592969978 980104586 /nfs/dbraw/zinc/10/45/86/980104586.db2.gz APJUIWZJSHCRFF-JKCQUFRZSA-N -2 0 368.430 0.951 20 0 FCADRL C[C@@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001592990560 980180609 /nfs/dbraw/zinc/18/06/09/980180609.db2.gz QFVKRYMAKSJSIX-ZCFIWIBFSA-N -2 0 363.417 0.197 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)C1=O ZINC001595371742 980854850 /nfs/dbraw/zinc/85/48/50/980854850.db2.gz MINQZDMUTMASBE-WUKHSURWSA-N -2 0 367.383 0.698 20 0 FCADRL CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001595527451 981357611 /nfs/dbraw/zinc/35/76/11/981357611.db2.gz ISMDTNUESDFMGA-UHFFFAOYSA-N -2 0 362.791 0.759 20 0 FCADRL CCC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001595611104 981627504 /nfs/dbraw/zinc/62/75/04/981627504.db2.gz LGNNRVRJFFLTNN-GFCCVEGCSA-N -2 0 359.400 0.942 20 0 FCADRL CC[C@](C)(CNS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)[O-])C(=O)[O-] ZINC001594834644 982021252 /nfs/dbraw/zinc/02/12/52/982021252.db2.gz HUDBWGWCAUZPES-OAHLLOKOSA-N -2 0 373.383 0.951 20 0 FCADRL CCCCS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1 ZINC001595786185 982575102 /nfs/dbraw/zinc/57/51/02/982575102.db2.gz QILHCXOFLNHLCN-UHFFFAOYSA-N -2 0 363.413 0.405 20 0 FCADRL CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1 ZINC001596188974 983563029 /nfs/dbraw/zinc/56/30/29/983563029.db2.gz YVUKTEXHHXCFKV-UHFFFAOYSA-N -2 0 366.399 0.860 20 0 FCADRL CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001596586866 984517841 /nfs/dbraw/zinc/51/78/41/984517841.db2.gz LCUGNUUBKAZGDZ-FJXKBIBVSA-N -2 0 363.310 0.032 20 0 FCADRL CC(=O)C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1)C(=O)[O-] ZINC001589030412 985060942 /nfs/dbraw/zinc/06/09/42/985060942.db2.gz TVTNPSVZNNBWDE-LBPRGKRZSA-N -2 0 357.384 0.759 20 0 FCADRL CC(=O)N[C@H](CCC(C)C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-] ZINC001589115651 985367126 /nfs/dbraw/zinc/36/71/26/985367126.db2.gz OEUWMQWCVQNDEL-JBLDHEPKSA-N -2 0 350.437 0.483 20 0 FCADRL CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001589136744 985436577 /nfs/dbraw/zinc/43/65/77/985436577.db2.gz PKZYJIGFHKWBTK-UHFFFAOYSA-N -2 0 362.429 0.948 20 0 FCADRL CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001589137644 985441122 /nfs/dbraw/zinc/44/11/22/985441122.db2.gz LUEVNXGHTMXTBN-JTQLQIEISA-N -2 0 372.399 0.126 20 0 FCADRL CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001589137645 985441528 /nfs/dbraw/zinc/44/15/28/985441528.db2.gz LUEVNXGHTMXTBN-SNVBAGLBSA-N -2 0 372.399 0.126 20 0 FCADRL CC(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])cc1F ZINC001589186371 985572714 /nfs/dbraw/zinc/57/27/14/985572714.db2.gz OOZSTWGHZQXGFC-SFYZADRCSA-N -2 0 360.363 0.953 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)[C@H](C(=O)[O-])[C@@H](C)O1 ZINC001594557092 986300326 /nfs/dbraw/zinc/30/03/26/986300326.db2.gz NYCYGAPEXAJLLU-RULNRJAQSA-N -2 0 357.384 0.565 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2scnc2C(=O)[O-])[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC001594562488 986334225 /nfs/dbraw/zinc/33/42/25/986334225.db2.gz UEODVXCMEXBZQT-ATRFCDNQSA-N -2 0 350.374 0.092 20 0 FCADRL C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)O2 ZINC001594640214 986784736 /nfs/dbraw/zinc/78/47/36/986784736.db2.gz MVPINSMFNHOSSP-QOBXEIRBSA-N -2 0 360.388 0.624 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)n1nnnc1C(C)(C)C ZINC001589450695 986842131 /nfs/dbraw/zinc/84/21/31/986842131.db2.gz FHXJAOCWJKLALZ-CIUDSAMLSA-N -2 0 361.424 0.087 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCc1nc(C2CC2)no1 ZINC001589450978 986843255 /nfs/dbraw/zinc/84/32/55/986843255.db2.gz GRTRLDSOCGFCMQ-RKDXNWHRSA-N -2 0 359.404 0.825 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCNC(=O)OC(C)(C)C ZINC001589451020 986843493 /nfs/dbraw/zinc/84/34/93/986843493.db2.gz HDQKHPWRCGHVDI-NXEZZACHSA-N -2 0 366.436 0.847 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc2ccccc2oc1=O ZINC001589451959 986848664 /nfs/dbraw/zinc/84/86/64/986848664.db2.gz KFNJBJZKWGHYAM-RKDXNWHRSA-N -2 0 353.352 0.962 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cnn(C)c1C(F)(F)F ZINC001589453104 986857229 /nfs/dbraw/zinc/85/72/29/986857229.db2.gz DIPRUJDXBSBBRQ-PHDIDXHHSA-N -2 0 357.310 0.608 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cncc(N2CCCC2=O)c1 ZINC001589453612 986863953 /nfs/dbraw/zinc/86/39/53/986863953.db2.gz HAYAPSSQNVCINX-ZJUUUORDSA-N -2 0 369.399 0.377 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CC1CCC2(CC1)OCCO2 ZINC001589453845 986868010 /nfs/dbraw/zinc/86/80/10/986868010.db2.gz RVYGVABYNIJCHR-QWRGUYRKSA-N -2 0 363.432 0.865 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(N2CCNC2=O)cc1 ZINC001589454811 986885718 /nfs/dbraw/zinc/88/57/18/986885718.db2.gz RJTCYNRITUHTOX-VHSXEESVSA-N -2 0 369.399 0.385 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC001589454884 986886414 /nfs/dbraw/zinc/88/64/14/986886414.db2.gz YAEUUNWVHMFCHY-IQJOONFLSA-N -2 0 363.432 0.910 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ncn(-c2ccccc2)n1 ZINC001589455034 986888840 /nfs/dbraw/zinc/88/88/40/986888840.db2.gz UTYJDWQVGZJEOH-UWVGGRQHSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(NC(=O)N(C)C)c1 ZINC001589455358 986895946 /nfs/dbraw/zinc/89/59/46/986895946.db2.gz YRAUQGVATDIJLZ-UWVGGRQHSA-N -2 0 371.415 0.949 20 0 FCADRL C[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001594662088 986941994 /nfs/dbraw/zinc/94/19/94/986941994.db2.gz XVUSAFFJWYMTOQ-HQJQHLMTSA-N -2 0 363.388 0.990 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC001589494780 987072442 /nfs/dbraw/zinc/07/24/42/987072442.db2.gz LMJPZJUIRCDSFV-ZYHUDNBSSA-N -2 0 354.384 0.210 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC001589495217 987073218 /nfs/dbraw/zinc/07/32/18/987073218.db2.gz NLVOIMOJEOSZIS-GXFFZTMASA-N -2 0 358.391 0.709 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1CCC(NC(=O)C2CCCC2)CC1 ZINC001589495887 987075901 /nfs/dbraw/zinc/07/59/01/987075901.db2.gz SONWDOQIPQPHHZ-PKSQDBQZSA-N -2 0 374.459 0.771 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC001589496442 987078687 /nfs/dbraw/zinc/07/86/87/987078687.db2.gz WMDROWGAUKDSOB-IUCAKERBSA-N -2 0 374.802 0.612 20 0 FCADRL CC[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-] ZINC001597336398 987474408 /nfs/dbraw/zinc/47/44/08/987474408.db2.gz NLVVUEOIMLBHSH-GUBZILKMSA-N -2 0 366.436 0.845 20 0 FCADRL CCc1ccccc1-n1cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])nn1 ZINC001597603619 988470919 /nfs/dbraw/zinc/47/09/19/988470919.db2.gz LGZNISZQIZQABK-SECBINFHSA-N -2 0 352.372 0.362 20 0 FCADRL CCc1nc(CNS(=O)(=O)c2scnc2C(=O)[O-])ccc1C(=O)[O-] ZINC001597673756 988778331 /nfs/dbraw/zinc/77/83/31/988778331.db2.gz IDVPYAPCLLBKGI-UHFFFAOYSA-N -2 0 371.396 0.975 20 0 FCADRL C[C@@H]1CC[C@@H](O)CN1C(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1 ZINC001599849186 988984009 /nfs/dbraw/zinc/98/40/09/988984009.db2.gz KDPJWLNVPIWQKA-IAQYHMDHSA-N -2 0 359.382 0.778 20 0 FCADRL CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])C1 ZINC001590035618 989061202 /nfs/dbraw/zinc/06/12/02/989061202.db2.gz FOSNPMPZHOZLBI-SNVBAGLBSA-N -2 0 364.420 0.554 20 0 FCADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC001597778093 989254072 /nfs/dbraw/zinc/25/40/72/989254072.db2.gz OBMRBOHPFUZZQJ-PSLIRLAXSA-N -2 0 373.383 0.652 20 0 FCADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001597781408 989282771 /nfs/dbraw/zinc/28/27/71/989282771.db2.gz WWUXDGRCMBXGNU-JTQLQIEISA-N -2 0 368.367 0.909 20 0 FCADRL CC(C)(C)OC(=O)N[C@@H](CC(=O)[N-]S(=O)(=O)CCC(=O)[O-])C1CC1 ZINC001590116875 989317809 /nfs/dbraw/zinc/31/78/09/989317809.db2.gz NAMYPAZAWAGHMG-JTQLQIEISA-N -2 0 364.420 0.601 20 0 FCADRL CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@]1(CC(=O)[O-])CCCOC1 ZINC001590429458 989981552 /nfs/dbraw/zinc/98/15/52/989981552.db2.gz JTZGHTFQBGVGGE-GTJPDFRWSA-N -2 0 356.466 0.741 20 0 FCADRL CN(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(C)(C)C(=O)[O-] ZINC001598025108 990233239 /nfs/dbraw/zinc/23/32/39/990233239.db2.gz LQNXGMCWSNNOMX-UHFFFAOYSA-N -2 0 350.343 0.565 20 0 FCADRL CC(C)(C)n1nnc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)n1 ZINC001590609775 990276993 /nfs/dbraw/zinc/27/69/93/990276993.db2.gz RQXRUGIEGWMBCK-UHFFFAOYSA-N -2 0 367.387 0.386 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1cc2c([nH]c1=O)CCCC2=O)C(=O)[O-] ZINC001590798755 990623865 /nfs/dbraw/zinc/62/38/65/990623865.db2.gz CBANKFHHAPPRJL-UHFFFAOYSA-N -2 0 370.383 0.477 20 0 FCADRL COc1ccccc1C[C@H](CNS(=O)(=O)C[C@@H](C)C(=O)[O-])C(=O)[O-] ZINC001599706971 991307991 /nfs/dbraw/zinc/30/79/91/991307991.db2.gz GEZRBGJKNDOGCY-ZYHUDNBSSA-N -2 0 359.400 0.579 20 0 FCADRL C[S@@](=O)(=NS(=O)(=O)[N-]CCOCC(=O)[O-])c1ccccc1F ZINC001599743938 991901899 /nfs/dbraw/zinc/90/18/99/991901899.db2.gz NEIPGIYDPHJYJP-NRFANRHFSA-N -2 0 354.381 0.218 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N1CCc2ccc(F)c(C(=O)[O-])c2C1 ZINC001598470347 992016759 /nfs/dbraw/zinc/01/67/59/992016759.db2.gz JOCFHYVJVNLZOE-UHFFFAOYSA-N -2 0 360.363 0.533 20 0 FCADRL CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001599762653 992143396 /nfs/dbraw/zinc/14/33/96/992143396.db2.gz WAGMRZCXVLARIM-PWSUYJOCSA-N -2 0 356.400 0.525 20 0 FCADRL CC(C)CCSCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001591266661 992181740 /nfs/dbraw/zinc/18/17/40/992181740.db2.gz OLSNPZSHLJKVDT-UHFFFAOYSA-N -2 0 352.478 0.923 20 0 FCADRL C[S@@](=O)c1cccc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])c1 ZINC001599778412 992334520 /nfs/dbraw/zinc/33/45/20/992334520.db2.gz GJEMYGHSCAWUKY-JOCHJYFZSA-N -2 0 374.421 0.697 20 0 FCADRL COc1ccc(S(=O)(=O)N(CC(=O)[O-])CC2CC2)c(CC(=O)[O-])c1 ZINC001599607470 993905568 /nfs/dbraw/zinc/90/55/68/993905568.db2.gz BHZFBSWUJUETJB-UHFFFAOYSA-N -2 0 357.384 0.808 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)c(OC)c1C(=O)[O-] ZINC001599611410 993959545 /nfs/dbraw/zinc/95/95/45/993959545.db2.gz ISLJEJBMBASXDY-NSHDSACASA-N -2 0 361.372 0.790 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CCC2)c(OC)c1C(=O)[O-] ZINC001599611480 993960283 /nfs/dbraw/zinc/96/02/83/993960283.db2.gz KRWIGZDYLSTQJQ-GFCCVEGCSA-N -2 0 373.383 0.934 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])c(OC)c1C(=O)[O-] ZINC001599612915 993978526 /nfs/dbraw/zinc/97/85/26/993978526.db2.gz LTJDKPDBUVYXPC-SFYZADRCSA-N -2 0 361.372 0.790 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)c(OC)c1C(=O)[O-] ZINC001599613440 993984725 /nfs/dbraw/zinc/98/47/25/993984725.db2.gz ZPJUXXOCJXOZHV-DTWKUNHWSA-N -2 0 371.367 0.710 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)c(OC)c1C(=O)[O-] ZINC001599613439 993985080 /nfs/dbraw/zinc/98/50/80/993985080.db2.gz ZPJUXXOCJXOZHV-BDAKNGLRSA-N -2 0 371.367 0.710 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])cn1 ZINC001598651940 994457698 /nfs/dbraw/zinc/45/76/98/994457698.db2.gz VPHRPCKPZUDMBH-UHFFFAOYSA-N -2 0 352.372 0.437 20 0 FCADRL COc1cccc([C@@H](NS(=O)(=O)CC2(CC(=O)[O-])CC2)C(=O)[O-])c1 ZINC001599659952 994640799 /nfs/dbraw/zinc/64/07/99/994640799.db2.gz QZGOGQSDABFLGU-CYBMUJFWSA-N -2 0 357.384 0.995 20 0 FCADRL COc1cccc([C@H](OC)C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])c1 ZINC001599661614 994665327 /nfs/dbraw/zinc/66/53/27/994665327.db2.gz OBGKNNVSXONHOL-CWSCBRNRSA-N -2 0 359.400 0.938 20 0 FCADRL COc1cccc(CS(=O)(=O)[N-]C(=O)Cn2cc(C(=O)[O-])cn2)c1 ZINC001599676031 994899499 /nfs/dbraw/zinc/89/94/99/994899499.db2.gz DQDWVTWEDBZFKW-UHFFFAOYSA-N -2 0 353.356 0.236 20 0 FCADRL COC(=O)C(C)(C)n1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)n1 ZINC001598685832 995002029 /nfs/dbraw/zinc/00/20/29/995002029.db2.gz LUDAZAKDTNMDGI-UHFFFAOYSA-N -2 0 357.344 0.883 20 0 FCADRL COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccccc1C(=O)[O-] ZINC001598689821 995047315 /nfs/dbraw/zinc/04/73/15/995047315.db2.gz SBRJVSWJUTZLQK-NXEZZACHSA-N -2 0 357.384 0.571 20 0 FCADRL COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccccc1C(=O)[O-] ZINC001598689878 995047919 /nfs/dbraw/zinc/04/79/19/995047919.db2.gz SBRJVSWJUTZLQK-ZJUUUORDSA-N -2 0 357.384 0.571 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])c1ccc(F)c(C)c1 ZINC001598709374 995328596 /nfs/dbraw/zinc/32/85/96/995328596.db2.gz NLYZAFJGLNNVOP-LLVKDONJSA-N -2 0 371.346 0.748 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])c1ccccc1F ZINC001598711110 995350330 /nfs/dbraw/zinc/35/03/30/995350330.db2.gz XXWMMWFNSYZMRQ-SNVBAGLBSA-N -2 0 357.319 0.440 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1)c1ccn(C)n1 ZINC001598714284 995386037 /nfs/dbraw/zinc/38/60/37/995386037.db2.gz QOXCWMRYTPQRTE-AWEZNQCLSA-N -2 0 367.383 0.240 20 0 FCADRL C[C@@H](OCC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1nccn1C ZINC001593604718 995778817 /nfs/dbraw/zinc/77/88/17/995778817.db2.gz VUMWIHFAKPEJSE-MRVPVSSYSA-N -2 0 357.344 0.294 20 0 FCADRL C[C@H](c1ccccc1)[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC001593706860 996198591 /nfs/dbraw/zinc/19/85/91/996198591.db2.gz OPNVVPLRTUHVMI-BXUZGUMPSA-N -2 0 370.427 0.874 20 0 FCADRL C[C@@]1(C(=O)[N-]S(=O)(=O)CC(=O)[O-])CCCN(C(=O)c2ccccc2)C1 ZINC001593755226 996402401 /nfs/dbraw/zinc/40/24/01/996402401.db2.gz OQJWUZMHMVBVEY-MRXNPFEDSA-N -2 0 368.411 0.460 20 0 FCADRL C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001593783801 996497996 /nfs/dbraw/zinc/49/79/96/996497996.db2.gz WGSQYQWKXZCAGL-OAHLLOKOSA-N -2 0 356.281 0.925 20 0 FCADRL CC1(C)C[C@@H](C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C)(C)O1 ZINC001593848144 996617945 /nfs/dbraw/zinc/61/79/45/996617945.db2.gz KISOLYXOYIQFQU-NSHDSACASA-N -2 0 362.448 0.738 20 0 FCADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001593864878 996669702 /nfs/dbraw/zinc/66/97/02/996669702.db2.gz KOOLLDGBOUNQAR-OAHLLOKOSA-N -3 0 373.358 0.759 20 0 FCADRL COC(=O)N1CCC(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001598880942 996810989 /nfs/dbraw/zinc/81/09/89/996810989.db2.gz XOBFFMBGQMWBDE-UHFFFAOYSA-N -2 0 360.344 0.261 20 0 FCADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])c1 ZINC001599282150 996909161 /nfs/dbraw/zinc/90/91/61/996909161.db2.gz SHRQYWMYNBRGFD-LBPRGKRZSA-N -2 0 373.383 0.395 20 0 FCADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)NC[C@@H](CC(=O)[O-])OC ZINC001599385165 996931178 /nfs/dbraw/zinc/93/11/78/996931178.db2.gz QEPCZZWISCXNDM-ZCFIWIBFSA-N -2 0 353.374 0.223 20 0 FCADRL CC1(C)CN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)[C@H](C(=O)[O-])CO1 ZINC001593946469 996994973 /nfs/dbraw/zinc/99/49/73/996994973.db2.gz HBGVZGYNNOIKKI-NSHDSACASA-N -2 0 361.347 0.777 20 0 FCADRL COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC001599195891 997215126 /nfs/dbraw/zinc/21/51/26/997215126.db2.gz USLGMGCVGBZBMH-OUOZUETKSA-N -2 0 369.395 0.896 20 0 FCADRL COc1ccc([C@@H](CC(=O)[O-])NC(=O)CCCc2nnn[n-]2)cc1OC ZINC001599509136 997265237 /nfs/dbraw/zinc/26/52/37/997265237.db2.gz DHRVEHWGFALGDD-LLVKDONJSA-N -2 0 363.374 0.872 20 0 FCADRL COCc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001599305966 997314457 /nfs/dbraw/zinc/31/44/57/997314457.db2.gz VVEFAGGHSIMWSR-UHFFFAOYSA-N -2 0 353.356 0.383 20 0 FCADRL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2c[n-]n3c2nccc3=O)cc1 ZINC001599513483 997334210 /nfs/dbraw/zinc/33/42/10/997334210.db2.gz GVNPUBFWJYGMQZ-ZDUSSCGKSA-N -2 0 356.338 0.977 20 0 FCADRL COC(=O)c1c[nH]c(C(=O)[O-])c1[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC001598916855 997486573 /nfs/dbraw/zinc/48/65/73/997486573.db2.gz ITSMZVHBTQWGOB-UHFFFAOYSA-N -2 0 362.751 0.687 20 0 FCADRL COCC[C@@H](NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)C(=O)[O-] ZINC001599211272 997505213 /nfs/dbraw/zinc/50/52/13/997505213.db2.gz BOVFVSDFRQIQKK-LLVKDONJSA-N -2 0 351.384 0.291 20 0 FCADRL CO[N-]C(=O)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001599320672 997575466 /nfs/dbraw/zinc/57/54/66/997575466.db2.gz MUIFVVRHEOYQEQ-UHFFFAOYSA-N -2 0 357.171 0.648 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NCC[C@@H](C)CC(=O)[O-])c1 ZINC001598923242 997607317 /nfs/dbraw/zinc/60/73/17/997607317.db2.gz ZHZKYSJXSDKINU-SECBINFHSA-N -2 0 373.383 0.951 20 0 FCADRL COCC[C@H](NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)C(=O)[O-] ZINC001599219246 997637052 /nfs/dbraw/zinc/63/70/52/997637052.db2.gz PITBOXZDLYJXKQ-VIFPVBQESA-N -2 0 353.299 0.431 20 0 FCADRL COc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)ccc1C(=O)[O-] ZINC001599428153 997712367 /nfs/dbraw/zinc/71/23/67/997712367.db2.gz GZBRLMQIGYIRIE-KOLCDFICSA-N -2 0 364.354 0.901 20 0 FCADRL COc1ccc(CC(=O)[N-]S(=O)(=O)CCC(=O)[O-])cc1OC(F)F ZINC001599548578 997966427 /nfs/dbraw/zinc/96/64/27/997966427.db2.gz IORAMNZNJPLNGO-UHFFFAOYSA-N -2 0 367.326 0.760 20 0 FCADRL COC(=O)c1cc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc(C(=O)[O-])c1 ZINC001598944359 998030956 /nfs/dbraw/zinc/03/09/56/998030956.db2.gz PZGQFVGGDJLZOW-LLVKDONJSA-N -2 0 352.299 0.489 20 0 FCADRL CO[C@@H]1CN(S(=O)(=O)c2cccc(C)c2C(=O)[O-])[C@](C)(C(=O)[O-])C1 ZINC001599136597 998053783 /nfs/dbraw/zinc/05/37/83/998053783.db2.gz LSEQGLVKZDMJDM-BONVTDFDSA-N -2 0 357.384 0.946 20 0 FCADRL CO[C@H]1CN(S(=O)(=O)c2cccc(C)c2C(=O)[O-])[C@@](C)(C(=O)[O-])C1 ZINC001599136598 998054422 /nfs/dbraw/zinc/05/44/22/998054422.db2.gz LSEQGLVKZDMJDM-MEBBXXQBSA-N -2 0 357.384 0.946 20 0 FCADRL CO[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2C)[C@](C)(C(=O)[O-])C1 ZINC001599136607 998055118 /nfs/dbraw/zinc/05/51/18/998055118.db2.gz MEEOIOAJRRXXAP-BONVTDFDSA-N -2 0 357.384 0.946 20 0 FCADRL CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)cc2C1 ZINC001599138193 998080375 /nfs/dbraw/zinc/08/03/75/998080375.db2.gz KDQTZDPWQWZTEN-ZDUSSCGKSA-N -2 0 351.384 0.882 20 0 FCADRL CO[C@H]1COCC[C@@H]1CC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001599141378 998136642 /nfs/dbraw/zinc/13/66/42/998136642.db2.gz XDHQFAZHMGGCDG-OCCSQVGLSA-N -2 0 371.411 0.772 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc(CC(=O)[O-])cc2)on1 ZINC001598954376 998214788 /nfs/dbraw/zinc/21/47/88/998214788.db2.gz BAUCXSLZEDBPDZ-UHFFFAOYSA-N -2 0 354.340 0.567 20 0 FCADRL COCCOCCS(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001599251780 998244795 /nfs/dbraw/zinc/24/47/95/998244795.db2.gz PHEKQVLNGRTNLT-UHFFFAOYSA-N -2 0 365.791 0.761 20 0 FCADRL COC[C@](C)(CC(=O)[O-])NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001599148445 998252221 /nfs/dbraw/zinc/25/22/21/998252221.db2.gz PBUODCLRVLHWBB-INIZCTEOSA-N -2 0 363.374 0.182 20 0 FCADRL COC[C@@](C)(NC(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O)C(=O)[O-] ZINC001599153356 998325852 /nfs/dbraw/zinc/32/58/52/998325852.db2.gz QQQWRMBXNLNVNK-MRXNPFEDSA-N -2 0 361.358 0.096 20 0 FCADRL COCCOc1cccc(CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1 ZINC001599261202 998388458 /nfs/dbraw/zinc/38/84/58/998388458.db2.gz ZBBOGXAIYQYSEU-UHFFFAOYSA-N -2 0 373.427 0.811 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)c1 ZINC001598964390 998389720 /nfs/dbraw/zinc/38/97/20/998389720.db2.gz XCVFFLSONRTYIU-PSASIEDQSA-N -2 0 369.351 0.479 20 0 FCADRL COCCOc1cncc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])c1 ZINC001599262188 998404696 /nfs/dbraw/zinc/40/46/96/998404696.db2.gz VFOWSAJYOOZMPN-VHSXEESVSA-N -2 0 360.388 0.276 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C)[C@@H]1C(=O)[O-] ZINC001598969033 998479172 /nfs/dbraw/zinc/47/91/72/998479172.db2.gz MDHFFVXTZFDGBL-PRHODGIISA-N -2 0 371.367 0.655 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001598969279 998484463 /nfs/dbraw/zinc/48/44/63/998484463.db2.gz PZRNWWNSOPBTRR-PSASIEDQSA-N -2 0 371.367 0.655 20 0 FCADRL COc1ccc(C(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cc1 ZINC001599478780 998575036 /nfs/dbraw/zinc/57/50/36/998575036.db2.gz UPNDTKJYCSWLED-JTQLQIEISA-N -2 0 357.384 0.825 20 0 FCADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)C1 ZINC001594209751 998812167 /nfs/dbraw/zinc/81/21/67/998812167.db2.gz HPOHWCYFDILCJY-NXEZZACHSA-N -2 0 366.374 0.211 20 0 FCADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C1 ZINC001594210715 998818993 /nfs/dbraw/zinc/81/89/93/998818993.db2.gz UODFCVVWMFTEKC-GXSJLCMTSA-N -2 0 366.345 0.961 20 0 FCADRL COC(=O)c1ccccc1CCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001599003528 998839624 /nfs/dbraw/zinc/83/96/24/998839624.db2.gz WGASGGYIKANYRS-MNOVXSKESA-N -2 0 371.411 0.961 20 0 FCADRL COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001599023877 999001873 /nfs/dbraw/zinc/00/18/73/999001873.db2.gz NRDFRCHLFDOUQV-JGVFFNPUSA-N -2 0 361.397 0.841 20 0 FCADRL CO[C@H](C(=O)[O-])C(=O)N1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001599025844 999016021 /nfs/dbraw/zinc/01/60/21/999016021.db2.gz GTEGCFULAOQHSX-STQMWFEESA-N -2 0 370.789 0.710 20 0 FCADRL CO[C@H](C)CS(=O)(=O)[N-]C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC001599038086 999098321 /nfs/dbraw/zinc/09/83/21/999098321.db2.gz XBBYSBLJAPHFTR-SSDOTTSWSA-N -2 0 360.388 0.247 20 0 FCADRL COC1(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CCOCC1 ZINC001599063512 999282868 /nfs/dbraw/zinc/28/28/68/999282868.db2.gz NIGOBRXLLWWUEA-UHFFFAOYSA-N -2 0 357.384 0.526 20 0 FCADRL O=C([O-])[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000297001984 214373488 /nfs/dbraw/zinc/37/34/88/214373488.db2.gz QZQLUUGHFSRMCA-VXNVDRBHSA-N -2 0 368.371 0.215 20 0 FCADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000285147673 213292895 /nfs/dbraw/zinc/29/28/95/213292895.db2.gz ONQGDWNGHYVCHN-UHFFFAOYSA-N -2 0 353.356 0.999 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc(Br)s1 ZINC000104333422 209261389 /nfs/dbraw/zinc/26/13/89/209261389.db2.gz BWOLZDHZAAHLPS-UHFFFAOYSA-N -2 0 358.191 0.671 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=Cc3ccccc3OC2)C[C@H]1C(=O)[O-] ZINC000277365227 212353626 /nfs/dbraw/zinc/35/36/26/212353626.db2.gz YVYCMVBJXXAOLP-CHWSQXEVSA-N -2 0 367.379 0.857 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c(Cl)cc1Cl ZINC000275314340 212005642 /nfs/dbraw/zinc/00/56/42/212005642.db2.gz ROLCMBXCFFIKJD-MRVPVSSYSA-N -2 0 372.182 0.504 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)C[C@H]1C(=O)[O-] ZINC000275162376 211973755 /nfs/dbraw/zinc/97/37/55/211973755.db2.gz UFRNGUGLPHKIJL-NXEZZACHSA-N -2 0 357.340 0.211 20 0 FCADRL COc1cc(OC)cc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)c1 ZINC000275103874 211963359 /nfs/dbraw/zinc/96/33/59/211963359.db2.gz MABBRFTZGJLSAM-OAHLLOKOSA-N -2 0 373.383 0.644 20 0 FCADRL CCOCCOc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000274911778 211926946 /nfs/dbraw/zinc/92/69/46/211926946.db2.gz KVOUHSGPMHZLJS-LBPRGKRZSA-N -2 0 361.372 0.308 20 0 FCADRL COc1cc(C(=O)N[C@@H](C)CC(=O)[O-])cc([N-]S(C)(=O)=O)c1OC ZINC000427740650 247542301 /nfs/dbraw/zinc/54/23/01/247542301.db2.gz AQRQTCYJCXHFIL-QMMMGPOBSA-N -2 0 360.388 0.668 20 0 FCADRL CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000271061189 211324873 /nfs/dbraw/zinc/32/48/73/211324873.db2.gz KOSPDPSBCAIUSK-SSDOTTSWSA-N -2 0 356.360 0.310 20 0 FCADRL COCCOCCS(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])cc1OC ZINC000270143581 211159586 /nfs/dbraw/zinc/15/95/86/211159586.db2.gz SQRVQFMTKQCLDY-UHFFFAOYSA-N -2 0 351.352 0.937 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)c(C)c1C(=O)[O-] ZINC000270064918 211147848 /nfs/dbraw/zinc/14/78/48/211147848.db2.gz MGOIHAAWZHZQAF-UHFFFAOYSA-N -2 0 366.399 0.874 20 0 FCADRL COC(=O)c1ccc(C)c(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000324176349 488905129 /nfs/dbraw/zinc/90/51/29/488905129.db2.gz GVOLYAFZIMHISW-SNVBAGLBSA-N -2 0 359.356 0.378 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1NC(C)=O ZINC000326580477 488915569 /nfs/dbraw/zinc/91/55/69/488915569.db2.gz DFESOUSIOUROCD-JTQLQIEISA-N -2 0 374.371 0.250 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)N(C)C)c2)cc1C(=O)[O-] ZINC000066585220 488332250 /nfs/dbraw/zinc/33/22/50/488332250.db2.gz MHRANVPGCFVXPQ-UHFFFAOYSA-N -2 0 366.399 0.779 20 0 FCADRL COc1cc(S(=O)(=O)[N-]c2cnn(CCO)c2)cc(C(=O)[O-])c1OC ZINC000067659935 488354431 /nfs/dbraw/zinc/35/44/31/488354431.db2.gz BOHNIIVIXMZYKP-UHFFFAOYSA-N -2 0 371.371 0.392 20 0 FCADRL COCCn1cc([N-]S(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)cn1 ZINC000271594130 488529236 /nfs/dbraw/zinc/52/92/36/488529236.db2.gz GKYWQEJNAHYQHY-UHFFFAOYSA-N -2 0 369.399 0.966 20 0 FCADRL CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCCC(=O)[O-])cc1F ZINC000261737397 488533631 /nfs/dbraw/zinc/53/36/31/488533631.db2.gz UBDOOWAVAPUFDH-UHFFFAOYSA-N -2 0 354.381 0.340 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000264526063 488682467 /nfs/dbraw/zinc/68/24/67/488682467.db2.gz WOWDNMIQHIJDFJ-NSHDSACASA-N -2 0 359.356 0.460 20 0 FCADRL CC(=O)N1c2ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc2C[C@H]1C ZINC000274937974 488745829 /nfs/dbraw/zinc/74/58/29/488745829.db2.gz QJIXHCFYGKQGJL-PRHODGIISA-N -2 0 370.383 0.190 20 0 FCADRL COc1cc(F)c(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1OC ZINC000275002757 488752273 /nfs/dbraw/zinc/75/22/73/488752273.db2.gz OMCBVWJVCSNTBM-ZETCQYMHSA-N -2 0 365.335 0.297 20 0 FCADRL Cn1cc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)nc1Cl ZINC000275183219 488769994 /nfs/dbraw/zinc/76/99/94/488769994.db2.gz WUYURAFXELDWSW-LLVKDONJSA-N -2 0 351.768 0.014 20 0 FCADRL CCOc1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1 ZINC000282860121 489194924 /nfs/dbraw/zinc/19/49/24/489194924.db2.gz OIJOJKOYAYUQFB-OLZOCXBDSA-N -2 0 357.384 0.881 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2ccn(CC(=O)N(C)C)n2)sc1C(=O)[O-] ZINC000299639292 489465840 /nfs/dbraw/zinc/46/58/40/489465840.db2.gz UUSDFQFSEBWPFZ-UHFFFAOYSA-N -2 0 372.428 0.840 20 0 FCADRL CN1CCCc2ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc21 ZINC000372310316 489569025 /nfs/dbraw/zinc/56/90/25/489569025.db2.gz SQXUKUDAUBUHNC-LBPRGKRZSA-N -2 0 356.400 0.665 20 0 FCADRL Cc1ccc(-n2[n-]nnc2=N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cc1 ZINC000416448589 489593971 /nfs/dbraw/zinc/59/39/71/489593971.db2.gz UIYJOANWRQVVFM-ZIAGYGMSSA-N -2 0 358.402 0.515 20 0 FCADRL Cc1noc(C)c1S(=O)(=O)NC1(C(=O)Nc2nn[nH]n2)CCCC1 ZINC000469544773 489711544 /nfs/dbraw/zinc/71/15/44/489711544.db2.gz MFGSBLJUGXWJKZ-UHFFFAOYSA-N -2 0 355.380 0.034 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cn1 ZINC000475809825 489849915 /nfs/dbraw/zinc/84/99/15/489849915.db2.gz IKJJXHGWTLUTPP-UHFFFAOYSA-N -2 0 356.381 0.984 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cn1 ZINC000433491089 489888784 /nfs/dbraw/zinc/88/87/84/489888784.db2.gz LLWNMFYJXYYSIA-UHFFFAOYSA-N -2 0 355.328 0.261 20 0 FCADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c1O ZINC000436828153 490013554 /nfs/dbraw/zinc/01/35/54/490013554.db2.gz XBTHCWXWFRRNFC-UHFFFAOYSA-N -2 0 361.339 0.867 20 0 FCADRL O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)[N-]c3cncnc3)cc2)C1 ZINC000464543981 490059599 /nfs/dbraw/zinc/05/95/99/490059599.db2.gz NAROLICMZMMYLE-JTQLQIEISA-N -2 0 362.367 0.715 20 0 FCADRL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)c1C(N)=O ZINC000545472185 490141592 /nfs/dbraw/zinc/14/15/92/490141592.db2.gz HGURVGMHSZBOTE-UHFFFAOYSA-N -2 0 368.371 0.390 20 0 FCADRL NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1 ZINC000392413985 490150312 /nfs/dbraw/zinc/15/03/12/490150312.db2.gz UMUCNNDIBMZDCJ-UHFFFAOYSA-N -2 0 372.380 0.539 20 0 FCADRL CC(=O)Nc1ccc(C)c(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])c1 ZINC000392961945 490157501 /nfs/dbraw/zinc/15/75/01/490157501.db2.gz JTCCSFYNWIIVDY-GFCCVEGCSA-N -2 0 372.399 0.940 20 0 FCADRL CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3cnn(C)c3C(=O)[O-])ccc21 ZINC000546639467 490225858 /nfs/dbraw/zinc/22/58/58/490225858.db2.gz CCSCUDGZBTWULH-UHFFFAOYSA-N -2 0 366.355 0.847 20 0 FCADRL O=C(N=c1[n-]ncn1C1CC1)c1ccc(C(=O)N=c2[n-]ncn2C2CC2)o1 ZINC000571546881 491314617 /nfs/dbraw/zinc/31/46/17/491314617.db2.gz XIVWNJQMLRWVBG-UHFFFAOYSA-N -2 0 368.357 0.481 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccc(F)c(Br)c1)C(=O)[O-] ZINC000547554715 490316609 /nfs/dbraw/zinc/31/66/09/490316609.db2.gz WQZXMIIMRNNAIQ-QMMMGPOBSA-N -2 0 370.152 0.794 20 0 FCADRL C[C@@](CNS(=O)(=O)c1ccc(C(F)(F)F)cn1)(CC(=O)[O-])C(=O)[O-] ZINC000547609009 490330103 /nfs/dbraw/zinc/33/01/03/490330103.db2.gz OAWWKJMLOOBHSV-NSHDSACASA-N -2 0 370.305 0.944 20 0 FCADRL Cc1cc(C(=O)Nc2cccc(-n3cnnn3)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000468237311 490375691 /nfs/dbraw/zinc/37/56/91/490375691.db2.gz FYUJOUNIGATSTG-UHFFFAOYSA-N -2 0 364.325 0.972 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccccc1OC(F)F)C(=O)[O-] ZINC000547884469 490376983 /nfs/dbraw/zinc/37/69/83/490376983.db2.gz GZJHPFQJFVIJIP-SSDOTTSWSA-N -2 0 353.299 0.742 20 0 FCADRL C[C@@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000547897906 490380418 /nfs/dbraw/zinc/38/04/18/490380418.db2.gz DMGURWOQUYEVOX-YMTOWFKASA-N -2 0 368.371 0.358 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)N2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000547922141 490387173 /nfs/dbraw/zinc/38/71/73/490387173.db2.gz VWQBZRSHNZCSTR-HEHGZKQESA-N -2 0 374.459 0.995 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1N(C)C ZINC000547924656 490388450 /nfs/dbraw/zinc/38/84/50/490388450.db2.gz GVRIGSNUGPPZRL-OLZOCXBDSA-N -2 0 370.427 0.857 20 0 FCADRL CN1C(=O)Cc2cc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])ccc21 ZINC000547936689 490392128 /nfs/dbraw/zinc/39/21/28/490392128.db2.gz LRQWWCIUEAOLPU-OAHLLOKOSA-N -2 0 370.383 0.049 20 0 FCADRL Cc1[nH]nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c1C(N)=O ZINC000499335102 490414002 /nfs/dbraw/zinc/41/40/02/490414002.db2.gz VJZIPMYBLSGOKE-UHFFFAOYSA-N -2 0 356.335 0.764 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1n[nH]c(C)c1C(N)=O ZINC000499335044 490414130 /nfs/dbraw/zinc/41/41/30/490414130.db2.gz UPVJUWOVDVTTOQ-UHFFFAOYSA-N -2 0 354.344 0.325 20 0 FCADRL CC(C)n1ncc2cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])ccc21 ZINC000548221085 490443534 /nfs/dbraw/zinc/44/35/34/490443534.db2.gz ONTIFFWGTUJDGB-UHFFFAOYSA-N -2 0 355.372 0.777 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1C ZINC000535053743 490445981 /nfs/dbraw/zinc/44/59/81/490445981.db2.gz KKQFHWIKRJMBLI-UHFFFAOYSA-N -2 0 372.428 0.806 20 0 FCADRL CC(=O)c1cccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)c1 ZINC000548247696 490449047 /nfs/dbraw/zinc/44/90/47/490449047.db2.gz TUYHPKCYNWBLLL-OAHLLOKOSA-N -2 0 355.368 0.829 20 0 FCADRL CCCSC[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)C(=O)[O-] ZINC000548250375 490450669 /nfs/dbraw/zinc/45/06/69/490450669.db2.gz WZWXLIOQNUDLAG-SSDOTTSWSA-N -2 0 368.458 0.804 20 0 FCADRL C[C@](CNS(=O)(=O)c1cnn(-c2ccccc2)c1)(CC(=O)[O-])C(=O)[O-] ZINC000548259599 490452978 /nfs/dbraw/zinc/45/29/78/490452978.db2.gz KDJCKMZDGBDHBI-OAHLLOKOSA-N -2 0 367.383 0.716 20 0 FCADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)C1 ZINC000422683559 490454787 /nfs/dbraw/zinc/45/47/87/490454787.db2.gz CUCUOEANYTWMOQ-IUCAKERBSA-N -2 0 354.432 0.765 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)[O-] ZINC000484776675 490467202 /nfs/dbraw/zinc/46/72/02/490467202.db2.gz AFDUVEFJBSRSPX-SNVBAGLBSA-N -2 0 370.408 0.904 20 0 FCADRL CCS(=O)(=O)c1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2c[nH]cn2)c1 ZINC000485077257 490499817 /nfs/dbraw/zinc/49/98/17/490499817.db2.gz MJCWYSHOEHMLNR-UHFFFAOYSA-N -2 0 359.385 0.702 20 0 FCADRL CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cnn(C)c3C(=O)[O-])ccc21 ZINC000539192695 490767643 /nfs/dbraw/zinc/76/76/43/490767643.db2.gz DBLFZLJMOCYUDY-UHFFFAOYSA-N -2 0 364.383 0.828 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1C(=O)[O-] ZINC000540294794 490814458 /nfs/dbraw/zinc/81/44/58/490814458.db2.gz FAUODLFSPAPHLC-UHFFFAOYSA-N -2 0 350.356 0.205 20 0 FCADRL O=C(Nc1cccc(-c2nn[nH]n2)c1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000506087814 490849931 /nfs/dbraw/zinc/84/99/31/490849931.db2.gz STKHDESLHTUXTI-UHFFFAOYSA-N -2 0 350.298 0.868 20 0 FCADRL Cc1cc2c(cc1S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])OCO2 ZINC000530473353 490907462 /nfs/dbraw/zinc/90/74/62/490907462.db2.gz KQAKWKBQTHUYOE-SECBINFHSA-N -2 0 359.356 0.710 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cnn(C)c1C ZINC000530541929 490911984 /nfs/dbraw/zinc/91/19/84/490911984.db2.gz KILZFQZRGFMLSD-MRVPVSSYSA-N -2 0 374.400 0.076 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000543769856 490946181 /nfs/dbraw/zinc/94/61/81/490946181.db2.gz PCNNYAWBFIFFRW-ZCFIWIBFSA-N -2 0 370.152 0.794 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)Cc1cccc(Br)c1)C(=O)[O-] ZINC000573211523 491419150 /nfs/dbraw/zinc/41/91/50/491419150.db2.gz STNIAWBPDANLCE-VIFPVBQESA-N -2 0 366.189 0.796 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2cccc3c2OCO3)CC[C@@H]1C(=O)[O-] ZINC000573388100 491430716 /nfs/dbraw/zinc/43/07/16/491430716.db2.gz HILLTTLXKYUCFC-IUCAKERBSA-N -2 0 357.340 0.211 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)Cc1ccccc1Br ZINC000558473621 491432665 /nfs/dbraw/zinc/43/26/65/491432665.db2.gz UQNFJPWAZDMASG-UHFFFAOYSA-N -2 0 366.189 0.750 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F ZINC000578261844 491673575 /nfs/dbraw/zinc/67/35/75/491673575.db2.gz BZBLQYNUEYQRQL-RXMQYKEDSA-N -2 0 358.344 0.564 20 0 FCADRL C[C@H](CN(C)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000580192525 491721014 /nfs/dbraw/zinc/72/10/14/491721014.db2.gz RGMNEUBYMANXBW-MRVPVSSYSA-N -2 0 350.343 0.422 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(=O)N3)cc1C(=O)[O-] ZINC000614869366 492061766 /nfs/dbraw/zinc/06/17/66/492061766.db2.gz WPTRAVJTCRKZSU-UHFFFAOYSA-N -2 0 351.340 0.855 20 0 FCADRL C[C@@H](CNC(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C)c1)C(=O)[O-] ZINC000655559005 492456938 /nfs/dbraw/zinc/45/69/38/492456938.db2.gz ADGORXKOMZCCAL-QMMMGPOBSA-N -2 0 372.428 0.733 20 0 FCADRL COc1cc(C(=O)NC[C@H](C)C(=O)[O-])cc([N-]S(C)(=O)=O)c1OC ZINC000655560046 492457727 /nfs/dbraw/zinc/45/77/27/492457727.db2.gz HFCCLFIVSSEMAZ-QMMMGPOBSA-N -2 0 360.388 0.526 20 0 FCADRL O=C(N=c1nc(C2CCOCC2)[n-]s1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000629100925 492578137 /nfs/dbraw/zinc/57/81/37/492578137.db2.gz UPJDABFXGWCVJO-UHFFFAOYSA-N -2 0 374.382 0.856 20 0 FCADRL COCCOc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cnnn1C ZINC000629343844 492613586 /nfs/dbraw/zinc/61/35/86/492613586.db2.gz QDHREJOJYFLIAA-UHFFFAOYSA-N -2 0 356.360 0.339 20 0 FCADRL Cc1c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2-n2cnnc2)cnn1C ZINC000644632551 492794381 /nfs/dbraw/zinc/79/43/81/492794381.db2.gz NSSMMWOGEAULKF-UHFFFAOYSA-N -2 0 362.371 0.808 20 0 FCADRL CCc1nn(C)c(CC)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000681587816 493192006 /nfs/dbraw/zinc/19/20/06/493192006.db2.gz DUACIZLCIZYWAL-VHSXEESVSA-N -2 0 373.431 0.341 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000672786611 493250053 /nfs/dbraw/zinc/25/00/53/493250053.db2.gz WNLOYTIILNGRMS-ZCFIWIBFSA-N -2 0 356.278 0.697 20 0 FCADRL O=C([O-])Cc1ccc(C[C@H](NS(=O)(=O)CCCCF)C(=O)[O-])cc1 ZINC000672788822 493250529 /nfs/dbraw/zinc/25/05/29/493250529.db2.gz GBBWCZLBIWAHFI-ZDUSSCGKSA-N -2 0 361.391 0.979 20 0 FCADRL O=C([O-])[C@H](C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1)C1CCCC1 ZINC000663117153 493572282 /nfs/dbraw/zinc/57/22/82/493572282.db2.gz NDYJPOQHWXKLPK-DOMZBBRYSA-N -2 0 366.414 0.802 20 0 FCADRL Cc1cc(C)c(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)c(C)c1CC(=O)[O-] ZINC000671661505 493702020 /nfs/dbraw/zinc/70/20/20/493702020.db2.gz WLNXZGMDOQFFPT-UHFFFAOYSA-N -2 0 366.399 0.862 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2cnc(OC)c(C(N)=O)c2)cc1C(=O)[O-] ZINC000504278657 546518524 /nfs/dbraw/zinc/51/85/24/546518524.db2.gz DSBMILVYYXIXBC-UHFFFAOYSA-N -2 0 368.371 0.510 20 0 FCADRL CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000736427417 599737801 /nfs/dbraw/zinc/73/78/01/599737801.db2.gz STXPKCSZOYDFLR-ZCFIWIBFSA-N -2 0 351.410 0.530 20 0 FCADRL O=C([O-])CSCC(=O)[N-]S(=O)(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000740486936 597108758 /nfs/dbraw/zinc/10/87/58/597108758.db2.gz UTQNXCXHNOUHRH-UHFFFAOYSA-N -2 0 373.387 0.634 20 0 FCADRL COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CC[C@H](C(=O)[O-])C3)cc2)[n-]1 ZINC000818506866 597498296 /nfs/dbraw/zinc/49/82/96/597498296.db2.gz OVEIKNARBHOBKR-LBPRGKRZSA-N -2 0 373.365 0.428 20 0 FCADRL CC(=O)NCCN(C(=O)CSc1n[n-]c(=S)s1)[C@@H](C)C(=O)[O-] ZINC000819745771 597690334 /nfs/dbraw/zinc/69/03/34/597690334.db2.gz HOFGSJLWXOMPGF-LURJTMIESA-N -2 0 364.474 0.357 20 0 FCADRL COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000737869884 599704213 /nfs/dbraw/zinc/70/42/13/599704213.db2.gz BORUTZZPEHKCRK-HWKANZROSA-N -2 0 370.321 0.783 20 0 FCADRL CCS[C@H](C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)C(C)C ZINC000737230634 599728983 /nfs/dbraw/zinc/72/89/83/599728983.db2.gz UNCBDMDCEACNMG-NSHDSACASA-N -2 0 352.478 0.922 20 0 FCADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1 ZINC000738290411 599738552 /nfs/dbraw/zinc/73/85/52/599738552.db2.gz CIAJYQNJPWFFIR-UHFFFAOYSA-N -3 0 357.319 0.914 20 0 FCADRL CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1 ZINC000736152611 599739005 /nfs/dbraw/zinc/73/90/05/599739005.db2.gz QINMIXQXDPCBAB-UHFFFAOYSA-N -2 0 366.399 0.447 20 0 FCADRL Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)c2n1 ZINC000738791773 599793241 /nfs/dbraw/zinc/79/32/41/599793241.db2.gz ABCKYXYYVMYXBR-UHFFFAOYSA-N -2 0 360.351 0.855 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000737683251 599870304 /nfs/dbraw/zinc/87/03/04/599870304.db2.gz PCWUSMPEUUQHDF-JTQLQIEISA-N -2 0 357.340 0.409 20 0 FCADRL CN(CCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)[O-] ZINC000737429950 599911923 /nfs/dbraw/zinc/91/19/23/599911923.db2.gz REAPAMFZCWQWQI-UHFFFAOYSA-N -2 0 369.399 0.766 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2[n-]c1=S ZINC000737295164 599943979 /nfs/dbraw/zinc/94/39/79/599943979.db2.gz FBZFHXHXLBDFAR-GFCCVEGCSA-N -2 0 363.395 0.631 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000261747538 599988738 /nfs/dbraw/zinc/98/87/38/599988738.db2.gz HBNYQLUILXOSEK-SNVBAGLBSA-N -2 0 369.399 0.563 20 0 FCADRL O=C([O-])CC[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccccc1 ZINC000739662513 600153837 /nfs/dbraw/zinc/15/38/37/600153837.db2.gz MLBHHKDOCORFIR-CYBMUJFWSA-N -2 0 355.354 0.794 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)c1C(=O)[O-] ZINC000738826955 600235233 /nfs/dbraw/zinc/23/52/33/600235233.db2.gz ADEOUCKBJUIBAS-UHFFFAOYSA-N -2 0 365.371 0.408 20 0 FCADRL CC[C@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000736925528 600241767 /nfs/dbraw/zinc/24/17/67/600241767.db2.gz ABEHXYMZKDQOPC-ZDUSSCGKSA-N -2 0 362.448 0.882 20 0 FCADRL Cn1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)c1=O ZINC000739039554 600242237 /nfs/dbraw/zinc/24/22/37/600242237.db2.gz NMUCZBKLNISESH-UHFFFAOYSA-N -2 0 350.352 0.343 20 0 FCADRL CCC(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736839849 600242517 /nfs/dbraw/zinc/24/25/17/600242517.db2.gz MHFZDDSLYNIUKN-ZDUSSCGKSA-N -2 0 368.411 0.981 20 0 FCADRL COc1cc(C)sc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000737866584 600360183 /nfs/dbraw/zinc/36/01/83/600360183.db2.gz CBEFCUUPHFMHFE-UHFFFAOYSA-N -2 0 362.429 0.836 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)COC2CCOCC2)cc1 ZINC000739321179 600377344 /nfs/dbraw/zinc/37/73/44/600377344.db2.gz DROKJKTWRYJJJK-UHFFFAOYSA-N -2 0 357.384 0.526 20 0 FCADRL COCCOc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cn1 ZINC000737821902 600423116 /nfs/dbraw/zinc/42/31/16/600423116.db2.gz RHEYDKPOQATSRG-UHFFFAOYSA-N -2 0 356.360 0.637 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000739692422 600460744 /nfs/dbraw/zinc/46/07/44/600460744.db2.gz PGJUASAJFYZGNP-UHFFFAOYSA-N -2 0 370.383 0.261 20 0 FCADRL CC(=O)N[C@@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1cccs1 ZINC000736146067 600461128 /nfs/dbraw/zinc/46/11/28/600461128.db2.gz GWOINEBHJXLFTG-JTQLQIEISA-N -2 0 362.429 0.626 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CN1C(=O)CSc2ccccc21 ZINC000739690696 600466068 /nfs/dbraw/zinc/46/60/68/600466068.db2.gz AAGDPHXLMXGQLT-UHFFFAOYSA-N -2 0 372.424 0.436 20 0 FCADRL O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)c2n[nH]c(=O)[n-]2)c1 ZINC000739479036 600506418 /nfs/dbraw/zinc/50/64/18/600506418.db2.gz FQUYRHKZTOOUSJ-NSHDSACASA-N -2 0 359.342 0.842 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cc(N2CCNC2=O)ccc1F ZINC000739693174 600511431 /nfs/dbraw/zinc/51/14/31/600511431.db2.gz WLIRHBAFPJTNML-UHFFFAOYSA-N -2 0 373.362 0.280 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1C ZINC000737714689 600529726 /nfs/dbraw/zinc/52/97/26/600529726.db2.gz VQDRFTIEBLZKMG-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cn1 ZINC000737631917 600529859 /nfs/dbraw/zinc/52/98/59/600529859.db2.gz WTKTZAOEYYHYEH-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL CC(C)(C)NS(=O)(=O)c1ccc(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)o1 ZINC000736263160 600536877 /nfs/dbraw/zinc/53/68/77/600536877.db2.gz ZDNQQPHWXVYPQR-UHFFFAOYSA-N -2 0 371.375 0.354 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCc1nc(-c2ccoc2)no1 ZINC000739692590 600658278 /nfs/dbraw/zinc/65/82/78/600658278.db2.gz SECRWYIKBISTNK-UHFFFAOYSA-N -2 0 357.344 0.573 20 0 FCADRL COc1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc(OC)c1OC ZINC000327035088 600674235 /nfs/dbraw/zinc/67/42/35/600674235.db2.gz SNBLIXGLGOEXEI-UHFFFAOYSA-N -2 0 371.371 0.794 20 0 FCADRL COCCOc1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000324369438 600676556 /nfs/dbraw/zinc/67/65/56/600676556.db2.gz KJUISYPXIITRDR-UHFFFAOYSA-N -2 0 355.372 0.794 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])cn1 ZINC000833274558 600680638 /nfs/dbraw/zinc/68/06/38/600680638.db2.gz DDXPWVBNVCSRNS-UHFFFAOYSA-N -3 0 361.282 0.745 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cn1 ZINC000831192397 600681385 /nfs/dbraw/zinc/68/13/85/600681385.db2.gz KPNSNVVCEYEMOR-UHFFFAOYSA-N -2 0 367.383 0.874 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)cn1 ZINC000833274062 600684208 /nfs/dbraw/zinc/68/42/08/600684208.db2.gz NIFPMHKDHRZASB-UHFFFAOYSA-N -2 0 353.282 0.527 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(Cl)c2C(N)=O)c1C(=O)[O-] ZINC000832991006 600686926 /nfs/dbraw/zinc/68/69/26/600686926.db2.gz JGLKPMFRVBILTN-UHFFFAOYSA-N -2 0 358.763 0.969 20 0 FCADRL CN1C(=O)COc2ccc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)cc21 ZINC000830902204 600691880 /nfs/dbraw/zinc/69/18/80/600691880.db2.gz PGGNOYZEIOKTKM-UHFFFAOYSA-N -2 0 366.355 0.124 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CNC(=O)[O-])c(Br)c1 ZINC000832954991 600802772 /nfs/dbraw/zinc/80/27/72/600802772.db2.gz XDWVPRXFZZHHQX-UHFFFAOYSA-N -2 0 351.178 0.830 20 0 FCADRL O=C([O-])[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])C1 ZINC000819271171 600824565 /nfs/dbraw/zinc/82/45/65/600824565.db2.gz MUAWAFVBBVTUEF-NSHDSACASA-N -2 0 368.411 0.723 20 0 FCADRL CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)ccn1 ZINC000830569300 600829973 /nfs/dbraw/zinc/82/99/73/600829973.db2.gz LXGQMCJNFPJVHK-UHFFFAOYSA-N -2 0 352.372 0.043 20 0 FCADRL Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccccn2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000832864257 600975053 /nfs/dbraw/zinc/97/50/53/600975053.db2.gz YTAQVTSVGYRUPK-NSHDSACASA-N -2 0 355.310 0.695 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2cccc(Br)c2)n1 ZINC000833276413 600987168 /nfs/dbraw/zinc/98/71/68/600987168.db2.gz AXEJUVPTWKGJRK-UHFFFAOYSA-N -2 0 361.177 0.926 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)n1 ZINC000833276635 600988901 /nfs/dbraw/zinc/98/89/01/600988901.db2.gz MQCJPCWHWMJQTG-UHFFFAOYSA-N -2 0 367.343 0.120 20 0 FCADRL O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000833178420 601088695 /nfs/dbraw/zinc/08/86/95/601088695.db2.gz WGBZCCXLIWPYIU-JSGCOSHPSA-N -2 0 373.413 0.953 20 0 FCADRL O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)CC2(CC(=O)[O-])CC2)cc1 ZINC000833253447 601127692 /nfs/dbraw/zinc/12/76/92/601127692.db2.gz ZBWQLXBQNSBBMW-UHFFFAOYSA-N -2 0 370.383 0.498 20 0 FCADRL COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000831066461 601384044 /nfs/dbraw/zinc/38/40/44/601384044.db2.gz IOJBCSVDFHCSOC-SECBINFHSA-N -2 0 351.340 0.370 20 0 FCADRL O=C([O-])[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc(Cl)cc1 ZINC000833119808 601583007 /nfs/dbraw/zinc/58/30/07/601583007.db2.gz RZKGXRRFCFKBCF-GFCCVEGCSA-N -2 0 361.745 0.667 20 0 FCADRL CC(C)C[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])N1CCCCC1=O ZINC000826755066 601598897 /nfs/dbraw/zinc/59/88/97/601598897.db2.gz XEFOHBPSLANTCQ-GFCCVEGCSA-N -2 0 362.448 0.724 20 0 FCADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000833361503 601603165 /nfs/dbraw/zinc/60/31/65/601603165.db2.gz YPKSFVDUXJUCGO-UHFFFAOYSA-N -2 0 355.353 0.973 20 0 FCADRL CCOC(=O)c1cc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cn1C ZINC000829877911 601783330 /nfs/dbraw/zinc/78/33/30/601783330.db2.gz CTFMFSKVZFWKDJ-UHFFFAOYSA-N -2 0 356.360 0.732 20 0 FCADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cnn(CC(=O)NC2CC2)c1 ZINC000833122806 601837064 /nfs/dbraw/zinc/83/70/64/601837064.db2.gz PICAUTNKXKBGLQ-UHFFFAOYSA-N -2 0 371.400 0.117 20 0 FCADRL CC(C)[C@@H](NC(=O)[O-])C(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000736377945 601969585 /nfs/dbraw/zinc/96/95/85/601969585.db2.gz GTPXOYORCDKLAL-GFCCVEGCSA-N -2 0 355.372 0.844 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2nnc(CCCC(=O)[O-])s2)c[nH]1 ZINC000831354327 602105012 /nfs/dbraw/zinc/10/50/12/602105012.db2.gz YVGJGQZWCPFMFV-UHFFFAOYSA-N -2 0 374.400 0.861 20 0 FCADRL CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1 ZINC000830145692 602113209 /nfs/dbraw/zinc/11/32/09/602113209.db2.gz QUAMOFYNZYTTPL-UHFFFAOYSA-N -2 0 373.412 0.562 20 0 FCADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-] ZINC000832407974 602179707 /nfs/dbraw/zinc/17/97/07/602179707.db2.gz OVXIKSKIYAEMOO-QMMMGPOBSA-N -2 0 358.372 0.569 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cc(C3CCOCC3)[nH]n2)cn1 ZINC000833274506 602308648 /nfs/dbraw/zinc/30/86/48/602308648.db2.gz BDNUSLTVIVFKDC-UHFFFAOYSA-N -2 0 355.376 0.386 20 0 FCADRL O=C([O-])NCCCC(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000832608538 603487614 /nfs/dbraw/zinc/48/76/14/603487614.db2.gz HWLWXBRXMYNHEZ-UHFFFAOYSA-N -2 0 370.362 0.864 20 0 FCADRL O=C([O-])N1CCC(NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000831567463 604000946 /nfs/dbraw/zinc/00/09/46/604000946.db2.gz PGTNBJPTAPMRGR-UHFFFAOYSA-N -2 0 362.411 0.944 20 0 FCADRL O=C([O-])[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000833361404 604732217 /nfs/dbraw/zinc/73/22/17/604732217.db2.gz VWQYGDPFOHIODJ-WDSKDSINSA-N -2 0 374.758 0.197 20 0 FCADRL O=C([O-])NCCC(=O)[N-]S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000833280022 604734132 /nfs/dbraw/zinc/73/41/32/604734132.db2.gz YKKPDYSBCDKGAR-UHFFFAOYSA-N -2 0 358.372 0.224 20 0 FCADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000833014713 604879824 /nfs/dbraw/zinc/87/98/24/604879824.db2.gz VYOWYSQJLZARDP-UHFFFAOYSA-N -2 0 354.388 0.799 20 0 FCADRL COCCN(CC(=O)[O-])S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000833723434 604880172 /nfs/dbraw/zinc/88/01/72/604880172.db2.gz DUNBUSGKAYNWCT-UHFFFAOYSA-N -2 0 353.299 0.385 20 0 FCADRL CC(C)[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-c2nnco2)c1 ZINC000833467353 605656859 /nfs/dbraw/zinc/65/68/59/605656859.db2.gz DMKFGWYKQVPNEZ-NSHDSACASA-N -2 0 368.371 0.834 20 0 FCADRL CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])no2)s1 ZINC000833397964 605901277 /nfs/dbraw/zinc/90/12/77/605901277.db2.gz SSLKESFVUKSBIR-UHFFFAOYSA-N -2 0 373.368 0.189 20 0 FCADRL Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC000822622345 606710172 /nfs/dbraw/zinc/71/01/72/606710172.db2.gz BQXJHNNQEZKZKP-UHFFFAOYSA-N -2 0 355.361 0.161 20 0 FCADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)c1cccn1C ZINC000054294940 665174290 /nfs/dbraw/zinc/17/42/90/665174290.db2.gz RFKZURSZSYZVOW-UHFFFAOYSA-N -2 0 367.383 0.284 20 0 FCADRL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)n1 ZINC000912532041 666451424 /nfs/dbraw/zinc/45/14/24/666451424.db2.gz RVPXSBCDUKESRF-UHFFFAOYSA-N -2 0 357.348 0.127 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc2oc(=O)ccc2c1)C(=O)[O-] ZINC000324243444 666763233 /nfs/dbraw/zinc/76/32/33/666763233.db2.gz YJMPLNYQBRERFF-SNVBAGLBSA-N -2 0 355.324 0.389 20 0 FCADRL CCCC[C@@H](NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)[O-] ZINC000916107971 666990994 /nfs/dbraw/zinc/99/09/94/666990994.db2.gz XUMWOPJEQJKORF-GFCCVEGCSA-N -2 0 372.399 0.423 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2)C(=O)[O-] ZINC000917716382 667083659 /nfs/dbraw/zinc/08/36/59/667083659.db2.gz LNVHZJUUMFVOIM-NSHDSACASA-N -3 0 371.367 0.470 20 0 FCADRL COc1cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc(C(=O)[O-])c1OC ZINC000917716383 667083748 /nfs/dbraw/zinc/08/37/48/667083748.db2.gz LPJIHHDJVWNGFV-NSHDSACASA-N -2 0 361.372 0.790 20 0 FCADRL COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2)C(=O)[O-] ZINC000917730117 667084446 /nfs/dbraw/zinc/08/44/46/667084446.db2.gz XWOASOBEYQVVDW-NSHDSACASA-N -2 0 371.367 0.168 20 0 FCADRL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(C(N)=O)n1 ZINC000788132074 667977552 /nfs/dbraw/zinc/97/75/52/667977552.db2.gz PGDBESXGISLSTB-UHFFFAOYSA-N -2 0 356.335 0.640 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000776437452 668261823 /nfs/dbraw/zinc/26/18/23/668261823.db2.gz NEXANLYEKBPNFZ-RXMQYKEDSA-N -2 0 357.171 0.985 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)c2cccc3c2COC3=O)C[C@H]1C(=O)[O-] ZINC000776718324 668290161 /nfs/dbraw/zinc/29/01/61/668290161.db2.gz NRKXBLADVYANDN-WCBMZHEXSA-N -2 0 369.351 0.153 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)OC3)CC[C@@H]1C(=O)[O-] ZINC000776718648 668290203 /nfs/dbraw/zinc/29/02/03/668290203.db2.gz PHNOIJNYVLTGPR-JQWIXIFHSA-N -2 0 369.351 0.153 20 0 FCADRL COC(=O)Nc1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000790607190 668878554 /nfs/dbraw/zinc/87/85/54/668878554.db2.gz RBUXZPIVRQMXHK-SNVBAGLBSA-N -2 0 360.344 0.461 20 0 FCADRL CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cnn(C)c2C)cc1 ZINC000794026461 668922566 /nfs/dbraw/zinc/92/25/66/668922566.db2.gz NYFOVIRKOYAUIW-UHFFFAOYSA-N -2 0 372.428 0.354 20 0 FCADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000820565465 669103616 /nfs/dbraw/zinc/10/36/16/669103616.db2.gz ZZNUAZWNUCTBHL-IPQOISQHSA-N -2 0 361.441 0.428 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ncc(-c3nn[nH]n3)s2)o1 ZINC000821342822 669182390 /nfs/dbraw/zinc/18/23/90/669182390.db2.gz ISIKSEQJVDESNQ-UHFFFAOYSA-N -2 0 370.372 0.894 20 0 FCADRL C[C@H](CN(C)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C(=O)[O-] ZINC000827437182 669567789 /nfs/dbraw/zinc/56/77/89/669567789.db2.gz UIGWGSZIRFZDJM-LLVKDONJSA-N -2 0 370.427 0.969 20 0 FCADRL COC(=O)[C@@H](F)CNS(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000840897303 670525091 /nfs/dbraw/zinc/52/50/91/670525091.db2.gz QUINEWVYTVWPRU-BYPYZUCNSA-N -2 0 374.140 0.530 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000803004717 675902492 /nfs/dbraw/zinc/90/24/92/675902492.db2.gz HCAKLSARDNRCBR-QMMMGPOBSA-N -2 0 360.354 0.316 20 0 FCADRL Cc1nnsc1CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852733285 671520085 /nfs/dbraw/zinc/52/00/85/671520085.db2.gz OQYJJOLYPBHJFK-CBAPKCEASA-N -2 0 352.338 0.943 20 0 FCADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000863955322 672165659 /nfs/dbraw/zinc/16/56/59/672165659.db2.gz IFOUATFNTDAQQM-GFCCVEGCSA-N -2 0 368.411 0.524 20 0 FCADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000863955791 672165728 /nfs/dbraw/zinc/16/57/28/672165728.db2.gz YIFZMOOBKRVECY-UHFFFAOYSA-N -2 0 368.411 0.668 20 0 FCADRL CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)C2(CC(=O)[O-])CCC2)s1 ZINC000863961192 672168551 /nfs/dbraw/zinc/16/85/51/672168551.db2.gz KQSYLSQJYCMNNK-UHFFFAOYSA-N -2 0 361.401 0.551 20 0 FCADRL O=Cc1ccc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])[nH]1 ZINC000874967905 672811564 /nfs/dbraw/zinc/81/15/64/672811564.db2.gz CRXNHPUNDBZEJT-PSASIEDQSA-N -2 0 361.276 0.564 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](CCSC)C(=O)[O-] ZINC000013358595 675368069 /nfs/dbraw/zinc/36/80/69/675368069.db2.gz GDUVDPRDBFOTLR-SECBINFHSA-N -2 0 363.413 0.878 20 0 FCADRL Cn1ccc(C(=O)N[N-]C(=O)c2nn(-c3ccccc3)cc2[O-])cc1=O ZINC000045055708 1196480695 /nfs/dbraw/zinc/48/06/95/1196480695.db2.gz FCAVZBFIVRGRMJ-UHFFFAOYSA-N -2 0 353.338 0.351 20 0 FCADRL Cc1[nH]nc(C(=O)N2C[C@H]3CN(C(=O)c4ncccc4O)C[C@@]3(C)C2)c1[O-] ZINC000992792976 1197509864 /nfs/dbraw/zinc/50/98/64/1197509864.db2.gz LYHXRIKFALUSMN-ZMZPIMSZSA-N -2 0 371.397 0.759 20 0 FCADRL Cc1cc(C(=O)Nc2cncnc2-n2cccn2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000777033488 1209793804 /nfs/dbraw/zinc/79/38/04/1209793804.db2.gz YCEMIIMTMBVGKU-UHFFFAOYSA-N -2 0 364.325 0.972 20 0 FCADRL COC(=O)c1ccc(OC)c(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001223970810 1225749675 /nfs/dbraw/zinc/74/96/75/1225749675.db2.gz VYCSBOAWQUYFHE-GXFFZTMASA-N -2 0 370.310 0.061 20 0 FCADRL COC(=O)c1c(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cccc1OC ZINC001224169460 1225762216 /nfs/dbraw/zinc/76/22/16/1225762216.db2.gz RWPYEARTMPXPHC-RNCFNFMXSA-N -2 0 370.310 0.061 20 0 FCADRL CCOC(=O)c1oc(C(=O)OCC)c(OC(=O)[C@H](O)CCC(=O)[O-])c1[O-] ZINC001227640603 1225880755 /nfs/dbraw/zinc/88/07/55/1225880755.db2.gz NIMJQEPMDIDSLE-SSDOTTSWSA-N -2 0 374.298 0.470 20 0 FCADRL COC(=O)c1cc2ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc2[nH]1 ZINC001229559894 1226017837 /nfs/dbraw/zinc/01/78/37/1226017837.db2.gz CAFIMVSIPBZMLV-RNCFNFMXSA-N -2 0 365.294 0.396 20 0 FCADRL COC(=O)c1cc(C)c(O)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1C ZINC001230259249 1226068902 /nfs/dbraw/zinc/06/89/02/1226068902.db2.gz IRMZPBKTADVTEV-CABZTGNLSA-N -2 0 370.310 0.237 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(C(=O)c2ccncc2)cc1)[C@H](O)C(=O)[O-] ZINC001231023572 1226095121 /nfs/dbraw/zinc/09/51/21/1226095121.db2.gz GORIZIABYDCHET-CJNGLKHVSA-N -2 0 373.317 0.754 20 0 FCADRL O=C(c1ccc2oc(=O)nc-2[n-]1)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001084773994 1258316156 /nfs/dbraw/zinc/31/61/56/1258316156.db2.gz OOJZTSRPBBIYHY-PSASIEDQSA-N -2 0 371.357 0.099 20 0 FCADRL COc1ccc2ccc(=O)oc2c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234388799 1259559435 /nfs/dbraw/zinc/55/94/35/1259559435.db2.gz WUUDHLGUUOLLQD-UFBFGSQYSA-N -2 0 366.278 0.243 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(OCCOC2CC2)cc1)[C@H](O)C(=O)[O-] ZINC001234542643 1259562282 /nfs/dbraw/zinc/56/22/82/1259562282.db2.gz ZRFLKPKLSYEIDI-HIFRSBDPSA-N -2 0 368.338 0.686 20 0 FCADRL Cc1cc(=O)c2c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc([O-])cc2o1 ZINC001234821497 1259565065 /nfs/dbraw/zinc/56/50/65/1259565065.db2.gz TUTWXFQFAFWLEV-CLAHSXSESA-N -3 0 366.278 0.249 20 0 FCADRL O=C([O-])[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@H]1c1ccccc1 ZINC001549042452 1267794327 /nfs/dbraw/zinc/79/43/27/1267794327.db2.gz OHFWDGGDQFUWFS-KBPBESRZSA-N -2 0 367.365 0.398 20 0 FCADRL O=C([O-])[C@]12COC[C@@H]1CN(C(=O)c1nn(-c3ccc(F)cc3)cc1[O-])C2 ZINC001549305659 1267900317 /nfs/dbraw/zinc/90/03/17/1267900317.db2.gz KDFQHTXUJZEVAM-DYZYQPBXSA-N -2 0 361.329 0.890 20 0 FCADRL CCN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C(C)(C)C(=O)OC ZINC001578171999 1275467282 /nfs/dbraw/zinc/46/72/82/1275467282.db2.gz CWCFEGPPNNEEPQ-UHFFFAOYSA-N -2 0 360.378 0.389 20 0 FCADRL CN(CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)Cc1n[n-]c(=O)o1 ZINC001579010906 1276584788 /nfs/dbraw/zinc/58/47/88/1276584788.db2.gz OUYRHVIWRRBTHX-UHFFFAOYSA-N -2 0 364.753 0.679 20 0 FCADRL CN(CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)Cc1n[n-]c(=O)o1 ZINC001579011201 1276584984 /nfs/dbraw/zinc/58/49/84/1276584984.db2.gz XZGLSXOOMZHFRX-UHFFFAOYSA-N -2 0 364.753 0.679 20 0 FCADRL COC(=O)[C@H]1CCCCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001579474648 1277379027 /nfs/dbraw/zinc/37/90/27/1277379027.db2.gz QJMXPUNRDOLTPK-LLVKDONJSA-N -2 0 358.362 0.143 20 0 FCADRL CC(=O)c1ccc(S(=O)(=O)CC(=O)[N-]OCCCC(=O)[O-])cc1F ZINC001603114460 1287310231 /nfs/dbraw/zinc/31/02/31/1287310231.db2.gz WBBHPVBMNUICTP-UHFFFAOYSA-N -2 0 361.347 0.715 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(=O)n(C)c2ccccc12 ZINC001603187279 1287325208 /nfs/dbraw/zinc/32/52/08/1287325208.db2.gz FZEBGIAFGUDNGS-UWVGGRQHSA-N -2 0 366.395 0.707 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1COc2cc(F)ccc2C1 ZINC001603187884 1287325383 /nfs/dbraw/zinc/32/53/83/1287325383.db2.gz KIHZWSFNFQIRMA-ATZCPNFKSA-N -2 0 359.375 0.932 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(Cn2ccnn2)c1 ZINC001603188563 1287325389 /nfs/dbraw/zinc/32/53/89/1287325389.db2.gz OFWBEKYVZGQNQW-QWRGUYRKSA-N -2 0 366.399 0.495 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC001603186854 1287325423 /nfs/dbraw/zinc/32/54/23/1287325423.db2.gz CNLMJVCIPZXZQW-VHSXEESVSA-N -2 0 368.411 0.748 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC001603186855 1287325445 /nfs/dbraw/zinc/32/54/45/1287325445.db2.gz CNLMJVCIPZXZQW-ZJUUUORDSA-N -2 0 368.411 0.748 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc(N2CCOC2=O)ccc1F ZINC001603204307 1287328917 /nfs/dbraw/zinc/32/89/17/1287328917.db2.gz MPXALYUEDCUGBN-SSDOTTSWSA-N -2 0 360.319 0.315 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C ZINC001603204125 1287329115 /nfs/dbraw/zinc/32/91/15/1287329115.db2.gz JITVSQAWMQBNEC-SFYZADRCSA-N -2 0 368.433 0.216 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001603201506 1287329414 /nfs/dbraw/zinc/32/94/14/1287329414.db2.gz HDQBVBLSPBTZGG-SCZZXKLOSA-N -2 0 362.404 0.519 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1 ZINC001603202248 1287329753 /nfs/dbraw/zinc/32/97/53/1287329753.db2.gz VOUJDPCYSSKKOD-WCBMZHEXSA-N -2 0 364.420 0.599 20 0 FCADRL CC(C)(C(=O)[O-])N1CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CC1 ZINC001603263256 1287343860 /nfs/dbraw/zinc/34/38/60/1287343860.db2.gz ZEYDXSCIAQUWIP-UHFFFAOYSA-N -2 0 360.370 0.651 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1ccc(-c2ncon2)cc1)C(=O)[O-] ZINC001603659986 1287459696 /nfs/dbraw/zinc/45/96/96/1287459696.db2.gz JRVQHYQQYSEWTD-UHFFFAOYSA-N -2 0 353.356 0.907 20 0 FCADRL CC(C)(NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C(=O)[O-] ZINC001603676806 1287466063 /nfs/dbraw/zinc/46/60/63/1287466063.db2.gz HJZVHXUKHBXLBP-UHFFFAOYSA-N -2 0 356.400 0.770 20 0 FCADRL CC(C)[C@@H](CNC(=O)C(=O)N1CCc2c(cccc2C(=O)[O-])C1)C(=O)[O-] ZINC001603723404 1287479918 /nfs/dbraw/zinc/47/99/18/1287479918.db2.gz LMNLRQNRXHPVSL-CQSZACIVSA-N -2 0 362.382 0.743 20 0 FCADRL C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C[C@@H]1CC(=O)[O-] ZINC001603913419 1287530375 /nfs/dbraw/zinc/53/03/75/1287530375.db2.gz WVGCVEQNKWOXLJ-IUCAKERBSA-N -2 0 355.376 0.581 20 0 FCADRL O=C(c1ncccc1O)N1CC[C@@H](CNc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001582751759 1281976010 /nfs/dbraw/zinc/97/60/10/1281976010.db2.gz VIPVEBZQIYGNML-NSHDSACASA-N -2 0 366.385 0.937 20 0 FCADRL CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001604095998 1287569992 /nfs/dbraw/zinc/56/99/92/1287569992.db2.gz FMHPIUKUUPNDQV-SFYZADRCSA-N -2 0 357.417 0.802 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)[N-]Oc2cccc(-c3nn[nH]n3)c2)cc1=O ZINC001589665091 1282937800 /nfs/dbraw/zinc/93/78/00/1282937800.db2.gz LPOBCYOVPQCDDH-UHFFFAOYSA-N -2 0 357.374 0.665 20 0 FCADRL C[C@@]1(C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CC1(F)F ZINC001590070791 1283201360 /nfs/dbraw/zinc/20/13/60/1283201360.db2.gz DDUVDSCYLVKZRN-LBPRGKRZSA-N -2 0 351.273 0.704 20 0 FCADRL CC1(C)CC[C@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)O1 ZINC001590088926 1283211131 /nfs/dbraw/zinc/21/11/31/1283211131.db2.gz KAYKRJMPXFEJFF-SNVBAGLBSA-N -2 0 359.346 0.616 20 0 FCADRL CC1=C(C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCCO1 ZINC001590155992 1283252608 /nfs/dbraw/zinc/25/26/08/1283252608.db2.gz AUTRUTAGVNMTIN-UHFFFAOYSA-N -2 0 357.330 0.743 20 0 FCADRL C[C@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001590247022 1283375823 /nfs/dbraw/zinc/37/58/23/1283375823.db2.gz IBVPENVFAJJMIJ-VHSXEESVSA-N -2 0 350.404 0.893 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)CC[C@H]1C(=O)[O-] ZINC001590314832 1283458450 /nfs/dbraw/zinc/45/84/50/1283458450.db2.gz USMKFGUSTPQZEU-HTQZYQBOSA-N -2 0 357.417 0.660 20 0 FCADRL CC[C@H](C[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C(=O)[O-] ZINC001590445901 1283542017 /nfs/dbraw/zinc/54/20/17/1283542017.db2.gz BVVQYNAQVQHJLU-ZCFIWIBFSA-N -2 0 361.330 0.534 20 0 FCADRL COCCOC(=O)CSCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001591431536 1284579845 /nfs/dbraw/zinc/57/98/45/1284579845.db2.gz PJTSOYMEPISXPU-UHFFFAOYSA-N -2 0 365.375 0.038 20 0 FCADRL COc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1nnc2ccccn21 ZINC001591506804 1284693228 /nfs/dbraw/zinc/69/32/28/1284693228.db2.gz UCBBKULBTJNVNK-UHFFFAOYSA-N -2 0 372.370 0.719 20 0 FCADRL COc1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ccc1-c1nn[nH]n1 ZINC001591510565 1284699419 /nfs/dbraw/zinc/69/94/19/1284699419.db2.gz ZXYHKRGDCACQSV-QLJPJBMISA-N -2 0 359.342 0.049 20 0 FCADRL Cn1nccc1[C@H]1CCCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001592606329 1285545301 /nfs/dbraw/zinc/54/53/01/1285545301.db2.gz IRYGNOJYNDBJGN-CYBMUJFWSA-N -2 0 366.389 0.686 20 0 FCADRL O=C(COCC1CCCC1)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001592886666 1285793732 /nfs/dbraw/zinc/79/37/32/1285793732.db2.gz BPZVURDCVQLVTP-UHFFFAOYSA-N -2 0 373.373 0.865 20 0 FCADRL O=C(Cc1cncs1)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001592931823 1285817370 /nfs/dbraw/zinc/81/73/70/1285817370.db2.gz HWCIDRYQKVYSEX-UHFFFAOYSA-N -2 0 358.343 0.357 20 0 FCADRL CN1C(=O)Cc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)o3)ccc21 ZINC001609282882 1289044105 /nfs/dbraw/zinc/04/41/05/1289044105.db2.gz XQSBEYHHTBCJSN-UHFFFAOYSA-N -2 0 360.355 0.779 20 0 FCADRL O=C([O-])CCC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001593278348 1286060207 /nfs/dbraw/zinc/06/02/07/1286060207.db2.gz ZZUVUAXIQAMTQS-UHFFFAOYSA-N -2 0 355.376 0.725 20 0 FCADRL Cc1c(NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)cccc1C(=O)[O-] ZINC001600026538 1286428491 /nfs/dbraw/zinc/42/84/91/1286428491.db2.gz LRWXDOHFTYPFPD-UHFFFAOYSA-N -2 0 364.354 0.629 20 0 FCADRL Cc1c(Cl)c(C(=O)[O-])sc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001600058203 1286434210 /nfs/dbraw/zinc/43/42/10/1286434210.db2.gz MGZGNAFVWYEOQD-XINAWCOVSA-N -2 0 357.793 0.520 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c(C)n1-c1cnn(C)c1 ZINC001600096129 1286440831 /nfs/dbraw/zinc/44/08/31/1286440831.db2.gz BVSPXGPAYYNCKV-SNVBAGLBSA-N -2 0 354.388 0.360 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1F ZINC001600114326 1286443921 /nfs/dbraw/zinc/44/39/21/1286443921.db2.gz CAJQKLNEULAYSG-JTQLQIEISA-N -2 0 371.346 0.530 20 0 FCADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1 ZINC001600123390 1286444857 /nfs/dbraw/zinc/44/48/57/1286444857.db2.gz JQJKQOCQDMAXLT-HNNXBMFYSA-N -3 0 371.367 0.633 20 0 FCADRL Cc1cc(F)c(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)cc1C(=O)[O-] ZINC001600229035 1286455708 /nfs/dbraw/zinc/45/57/08/1286455708.db2.gz SHGZNEQHOQLKOU-UHFFFAOYSA-N -2 0 361.347 0.744 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)n(-c2ncccn2)n1 ZINC001600284162 1286467039 /nfs/dbraw/zinc/46/70/39/1286467039.db2.gz SLWBWSDZWDNSBX-UHFFFAOYSA-N -2 0 360.355 0.865 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCS2(=O)=O)oc1C(=O)[O-] ZINC001600297361 1286471766 /nfs/dbraw/zinc/47/17/66/1286471766.db2.gz NTCIQLDJSAAFIT-QMMMGPOBSA-N -2 0 365.385 0.058 20 0 FCADRL Cc1c([C@H](NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)C(=O)[O-])cnn1C ZINC001600297054 1286471843 /nfs/dbraw/zinc/47/18/43/1286471843.db2.gz JFKHDTLDAYIHKQ-ZDUSSCGKSA-N -2 0 367.383 0.839 20 0 FCADRL Cc1ccc(-n2[n-]c(C(=O)N3CCC[C@@H]3C(=O)NCC(=O)[O-])cc2=O)cc1 ZINC001600321214 1286477394 /nfs/dbraw/zinc/47/73/94/1286477394.db2.gz DKIOJQXFFVQQQV-CQSZACIVSA-N -2 0 372.381 0.279 20 0 FCADRL Cc1ccc(-n2[n-]c(C(=O)NC[C@H](C(=O)[O-])[C@@H]3CCOC3)cc2=O)cc1 ZINC001600321455 1286477768 /nfs/dbraw/zinc/47/77/68/1286477768.db2.gz JSLHZTKTNIGEPF-OCCSQVGLSA-N -2 0 359.382 0.941 20 0 FCADRL Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1 ZINC001600411649 1286484335 /nfs/dbraw/zinc/48/43/35/1286484335.db2.gz MIBLKERZQGSXCE-WCQYABFASA-N -2 0 368.411 0.405 20 0 FCADRL Cc1ccc(N2C[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])CC2=O)cc1 ZINC001600435494 1286485121 /nfs/dbraw/zinc/48/51/21/1286485121.db2.gz QFSMPMRWVKIAOK-WDEREUQCSA-N -2 0 354.384 0.267 20 0 FCADRL Cc1c([C@@H](NS(=O)(=O)c2ccc(C)cc2C(=O)[O-])C(=O)[O-])cnn1C ZINC001600478257 1286493593 /nfs/dbraw/zinc/49/35/93/1286493593.db2.gz HJHLZZOVGFUNTL-CYBMUJFWSA-N -2 0 367.383 0.839 20 0 FCADRL Cc1cccc(C[C@@H](CNS(=O)(=O)N(C)CCC(=O)[O-])C(=O)[O-])c1 ZINC001600530346 1286503309 /nfs/dbraw/zinc/50/33/09/1286503309.db2.gz XQCLEQALNSHIRH-ZDUSSCGKSA-N -2 0 358.416 0.479 20 0 FCADRL Cc1cccc(S(=O)(=O)[N-]c2ccn(CC(=O)N(C)C)n2)c1C(=O)[O-] ZINC001600551369 1286507103 /nfs/dbraw/zinc/50/71/03/1286507103.db2.gz YCGCCUVKOSRMBZ-UHFFFAOYSA-N -2 0 366.399 0.779 20 0 FCADRL Cc1ccccc1C1(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])CCOCC1 ZINC001600573945 1286508360 /nfs/dbraw/zinc/50/83/60/1286508360.db2.gz PSHZULZOFSZNOR-UHFFFAOYSA-N -2 0 355.412 0.964 20 0 FCADRL Cc1cccc2nc(C(=O)[N-]S(=O)(=O)N3CCC(C(=O)[O-])CC3)cn21 ZINC001600559967 1286508385 /nfs/dbraw/zinc/50/83/85/1286508385.db2.gz KYMPELFNHFXVPX-UHFFFAOYSA-N -2 0 366.399 0.414 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)C(F)(F)F)c1C(=O)[O-] ZINC001600673458 1286525276 /nfs/dbraw/zinc/52/52/76/1286525276.db2.gz QUNOEYCASIPWNB-SCSAIBSYSA-N -2 0 367.252 0.253 20 0 FCADRL Cc1nc(C(C)C)oc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001600689973 1286527527 /nfs/dbraw/zinc/52/75/27/1286527527.db2.gz ZUMPAQJMDRXUJK-UHFFFAOYSA-N -2 0 359.404 0.878 20 0 FCADRL Cc1nc(CCNS(=O)(=O)CC(C)(C)C(=O)[O-])sc1C(=O)[O-] ZINC001600699506 1286529543 /nfs/dbraw/zinc/52/95/43/1286529543.db2.gz MJHLDXCOJZLUAW-UHFFFAOYSA-N -2 0 350.418 0.722 20 0 FCADRL Cc1nn(C)c(C)c1[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCCC1)C(=O)[O-] ZINC001600769268 1286540912 /nfs/dbraw/zinc/54/09/12/1286540912.db2.gz RXCKBZKVZPLTKB-GFCCVEGCSA-N -2 0 373.431 0.727 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)CN1CCCCCCC1=O ZINC001600834609 1286553023 /nfs/dbraw/zinc/55/30/23/1286553023.db2.gz YFNLTNRTSOKZBH-UHFFFAOYSA-N -2 0 372.399 0.884 20 0 FCADRL Cc1oc(CN(C)C(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1C(=O)[O-] ZINC001600841447 1286554811 /nfs/dbraw/zinc/55/48/11/1286554811.db2.gz YMYWCTDVXZMKSH-NSHDSACASA-N -2 0 366.370 0.958 20 0 FCADRL Cc1oc(S(=O)(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)cc1C(=O)[O-] ZINC001600855947 1286557588 /nfs/dbraw/zinc/55/75/88/1286557588.db2.gz IHFJPZSLUGXMCI-UHFFFAOYSA-N -2 0 371.371 0.734 20 0 FCADRL Cc1oc(S(=O)(=O)N[C@H](CC(=O)[O-])C2CCOCC2)cc1C(=O)[O-] ZINC001600855412 1286558123 /nfs/dbraw/zinc/55/81/23/1286558123.db2.gz HSXPCFOBYLNTHA-LLVKDONJSA-N -2 0 361.372 0.834 20 0 FCADRL Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-] ZINC001600858840 1286558923 /nfs/dbraw/zinc/55/89/23/1286558923.db2.gz GYDSPSNKMNCVMV-XPUUQOCRSA-N -2 0 371.371 0.004 20 0 FCADRL Cn1cc(CC(=O)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cn1 ZINC001600948532 1286577731 /nfs/dbraw/zinc/57/77/31/1286577731.db2.gz QBKFGWMUJDCYNP-UHFFFAOYSA-N -2 0 359.310 0.444 20 0 FCADRL Cn1cc(NC(=O)N2CCC(n3c(=O)[n-][nH]c3=O)CC2)cc1C(=O)[O-] ZINC001600963123 1286583146 /nfs/dbraw/zinc/58/31/46/1286583146.db2.gz TZZNAELULDIJJP-UHFFFAOYSA-N -2 0 350.335 0.595 20 0 FCADRL Cn1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)n1 ZINC001600975116 1286586726 /nfs/dbraw/zinc/58/67/26/1286586726.db2.gz FYSRKCQIBILJEE-UHFFFAOYSA-N -2 0 373.337 0.834 20 0 FCADRL Cn1[n-]c(C(F)(F)F)nc1=NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001601007959 1286596000 /nfs/dbraw/zinc/59/60/00/1286596000.db2.gz OTIDIQZSAOFTFB-UHFFFAOYSA-N -2 0 364.305 0.896 20 0 FCADRL Cn1[n-]c(C(F)(F)F)nc1=NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001601007966 1286596383 /nfs/dbraw/zinc/59/63/83/1286596383.db2.gz PAIBRVZIDQPRFP-UHFFFAOYSA-N -2 0 368.268 0.894 20 0 FCADRL Cn1nc(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)cc1C(=O)[O-] ZINC001601011753 1286598661 /nfs/dbraw/zinc/59/86/61/1286598661.db2.gz LNAFSOFIXJADBH-UHFFFAOYSA-N -2 0 373.300 0.558 20 0 FCADRL Cn1ncc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1C(F)(F)F ZINC001601021179 1286603127 /nfs/dbraw/zinc/60/31/27/1286603127.db2.gz WDNABYHKMBEOLP-UHFFFAOYSA-N -2 0 367.261 0.849 20 0 FCADRL NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC001601162701 1286666379 /nfs/dbraw/zinc/66/63/79/1286666379.db2.gz IXSBHROSHOSMDO-UHFFFAOYSA-N -2 0 354.365 0.664 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCc3c2cccc3C(=O)[O-])c1 ZINC001601199656 1286693771 /nfs/dbraw/zinc/69/37/71/1286693771.db2.gz CWFIKYNNPHHCJT-UHFFFAOYSA-N -2 0 362.363 0.941 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)CCC(=O)c1ccccn1 ZINC001601263043 1286708740 /nfs/dbraw/zinc/70/87/40/1286708740.db2.gz YMWQDMXQYPBCRE-UHFFFAOYSA-N -2 0 369.380 0.704 20 0 FCADRL O=C([O-])[C@@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)c1ccc(F)cc1 ZINC001601271571 1286710250 /nfs/dbraw/zinc/71/02/50/1286710250.db2.gz GHYIGRIELZLTRD-NSHDSACASA-N -2 0 352.322 0.593 20 0 FCADRL O=C(CCOC[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001601281256 1286711796 /nfs/dbraw/zinc/71/17/96/1286711796.db2.gz ISPLRJSEKAZUID-VIFPVBQESA-N -2 0 363.413 0.837 20 0 FCADRL O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001601378868 1286736816 /nfs/dbraw/zinc/73/68/16/1286736816.db2.gz LVULPIJFIRNMGI-AWEZNQCLSA-N -2 0 370.365 0.902 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)Cn2ccc3ccccc32)CC1 ZINC001601386317 1286738525 /nfs/dbraw/zinc/73/85/25/1286738525.db2.gz BDZSZTCGDBZEOU-UHFFFAOYSA-N -2 0 365.411 0.799 20 0 FCADRL O=C([O-])[C@H](NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)c1ccccc1F ZINC001601398863 1286740594 /nfs/dbraw/zinc/74/05/94/1286740594.db2.gz CXJLVDIWEACIAL-CYBMUJFWSA-N -2 0 372.312 0.961 20 0 FCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC001601702834 1286810437 /nfs/dbraw/zinc/81/04/37/1286810437.db2.gz QSWZRTUEZZGSBU-UHFFFAOYSA-N -2 0 367.427 0.030 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccccn1 ZINC001601908835 1286866234 /nfs/dbraw/zinc/86/62/34/1286866234.db2.gz ROJVSTUHDXJOLU-GFCCVEGCSA-N -2 0 357.388 0.228 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C1CCOCC1 ZINC001601909488 1286867560 /nfs/dbraw/zinc/86/75/60/1286867560.db2.gz RZINSWSXNPYLPQ-ZDUSSCGKSA-N -2 0 357.384 0.933 20 0 FCADRL O=C([O-])C[C@@H]1COCCN1S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001601964280 1286887128 /nfs/dbraw/zinc/88/71/28/1286887128.db2.gz ARAXREYEZRDLGU-GFCCVEGCSA-N -2 0 369.395 0.667 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cccc(Cn2ccnn2)c1 ZINC001601999322 1286893216 /nfs/dbraw/zinc/89/32/16/1286893216.db2.gz SYQXJWOFFSVPEZ-UHFFFAOYSA-N -2 0 352.372 0.251 20 0 FCADRL O=C([O-])CCN(Cc1ccc(F)c(F)c1)[C@H]1CCN(CC(=O)[O-])C1=O ZINC001602007114 1286895568 /nfs/dbraw/zinc/89/55/68/1286895568.db2.gz LLWQXXXHOBYBGE-ZDUSSCGKSA-N -2 0 356.325 0.927 20 0 FCADRL O=C([O-])CCN1CCN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001602013088 1286899141 /nfs/dbraw/zinc/89/91/41/1286899141.db2.gz PBMALTXYLRWHJE-UHFFFAOYSA-N -2 0 356.400 0.307 20 0 FCADRL O=C([O-])CCNC(=O)C(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001602013938 1286900300 /nfs/dbraw/zinc/90/03/00/1286900300.db2.gz FOUMESCUTCQROR-MRVPVSSYSA-N -2 0 355.372 0.138 20 0 FCADRL O=C([O-])CN(C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)c1ccccc1 ZINC001602051489 1286912580 /nfs/dbraw/zinc/91/25/80/1286912580.db2.gz SEMOEKBVAWQZKS-UHFFFAOYSA-N -2 0 354.322 0.998 20 0 FCADRL O=C([O-])CNC(=O)Cc1ccc(NC(=O)C(=O)[N-]OC/C=C/Cl)cc1 ZINC001602071340 1286925793 /nfs/dbraw/zinc/92/57/93/1286925793.db2.gz CERUGWLYRYCUCH-LZCJLJQNSA-N -2 0 369.761 0.169 20 0 FCADRL O=C([O-])CSCC(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001602097060 1286933861 /nfs/dbraw/zinc/93/38/61/1286933861.db2.gz HBQRKKPMIHZCCP-QMMMGPOBSA-N -2 0 358.397 0.486 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001602097181 1286934056 /nfs/dbraw/zinc/93/40/56/1286934056.db2.gz NLXFJGRLKYJODZ-ZCFIWIBFSA-N -2 0 355.294 0.310 20 0 FCADRL O=C([O-])Cc1ccc(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)cc1 ZINC001602119984 1286941958 /nfs/dbraw/zinc/94/19/58/1286941958.db2.gz QULLVPQRNSDDDI-UHFFFAOYSA-N -2 0 354.322 0.993 20 0 FCADRL O=C([O-])Cc1cccc(S(=O)(=O)N[C@H](Cc2ncccn2)C(=O)[O-])c1 ZINC001602142232 1286946469 /nfs/dbraw/zinc/94/64/69/1286946469.db2.gz RXGKHIFKTFXJNW-GFCCVEGCSA-N -2 0 365.367 0.078 20 0 FCADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)n1 ZINC001602140879 1286946541 /nfs/dbraw/zinc/94/65/41/1286946541.db2.gz RYNZSFATOZTDRR-LLVKDONJSA-N -2 0 352.372 0.667 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])cn1 ZINC001602164187 1286953608 /nfs/dbraw/zinc/95/36/08/1286953608.db2.gz TVBXWSYYWTZSPS-NWDGAFQWSA-N -2 0 359.404 0.670 20 0 FCADRL O=C([O-])c1cc(F)cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@]3(CCOC3)C2)c1 ZINC001602272388 1286978229 /nfs/dbraw/zinc/97/82/29/1286978229.db2.gz OTZHIXOFPJDKII-SWLSCSKDSA-N -2 0 373.358 0.636 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N(CCO)c2ccccc2C(=O)[O-])o1 ZINC001602394151 1286993274 /nfs/dbraw/zinc/99/32/74/1286993274.db2.gz ILLOYKXCXYLSBO-UHFFFAOYSA-N -2 0 355.324 0.864 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)c(F)c1 ZINC001602394452 1286994158 /nfs/dbraw/zinc/99/41/58/1286994158.db2.gz UVEMGKPSSDLATL-SKDRFNHKSA-N -2 0 361.347 0.370 20 0 FCADRL O=C([O-])c1noc2c1CN(S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1)CC2 ZINC001602395947 1286994331 /nfs/dbraw/zinc/99/43/31/1286994331.db2.gz YQKHUWFLUSDWKW-UHFFFAOYSA-N -2 0 370.314 0.957 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccccc2)cc1 ZINC001602396272 1286994585 /nfs/dbraw/zinc/99/45/85/1286994585.db2.gz RDXKIYWALMUIQO-ZIAGYGMSSA-N -2 0 365.363 0.850 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2C(=O)C2CC2)s1 ZINC001602396091 1286995169 /nfs/dbraw/zinc/99/51/69/1286995169.db2.gz NUVBAQALRRHBQW-VIFPVBQESA-N -2 0 372.424 0.652 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)NC[C@H](Cc2ccccn2)C(=O)[O-])cn1 ZINC001602398325 1286996283 /nfs/dbraw/zinc/99/62/83/1286996283.db2.gz AYEMADNJDRJBAB-JTQLQIEISA-N -2 0 365.367 0.397 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)c1 ZINC001602439098 1287001668 /nfs/dbraw/zinc/00/16/68/1287001668.db2.gz NOFWOOBOBMXLMT-STQMWFEESA-N -2 0 357.384 0.372 20 0 FCADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)cc2)c1 ZINC001602543803 1287024180 /nfs/dbraw/zinc/02/41/80/1287024180.db2.gz UOXJJMVQBSYSKF-UHFFFAOYSA-N -2 0 365.367 0.303 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)c3cccn32)c1 ZINC001602557517 1287026249 /nfs/dbraw/zinc/02/62/49/1287026249.db2.gz YOWBLWQUZDMCLF-JTQLQIEISA-N -2 0 352.324 0.802 20 0 FCADRL O=C([O-])c1csc(S(=O)(=O)N2CC3(CCOCC3)[C@H]2C(=O)[O-])c1 ZINC001602563888 1287027224 /nfs/dbraw/zinc/02/72/24/1287027224.db2.gz NNMMMISMPUJQKL-SNVBAGLBSA-N -2 0 361.397 0.701 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)C[C@@H]2CCCC(=O)N2)cc1 ZINC001602643912 1287046222 /nfs/dbraw/zinc/04/62/22/1287046222.db2.gz POAKLUQEZVEYJK-LBPRGKRZSA-N -2 0 354.384 0.390 20 0 FCADRL CC(=O)NCCN(CC(=O)Nc1ccccc1C(=O)[O-])[C@@H](C)C(=O)[O-] ZINC001603047515 1287196850 /nfs/dbraw/zinc/19/68/50/1287196850.db2.gz AYCLGKROPKQFKZ-JTQLQIEISA-N -2 0 351.359 0.235 20 0 FCADRL CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001604883630 1287806540 /nfs/dbraw/zinc/80/65/40/1287806540.db2.gz VIVAVNNNDUHPHH-UHFFFAOYSA-N -2 0 362.371 0.549 20 0 FCADRL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1cncc(C(=O)[O-])c1 ZINC001605194239 1287906589 /nfs/dbraw/zinc/90/65/89/1287906589.db2.gz XNXNSWXHKYSUMX-NSHDSACASA-N -2 0 358.372 0.571 20 0 FCADRL CCOC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001605552200 1287997690 /nfs/dbraw/zinc/99/76/90/1287997690.db2.gz VHFDHSUWGJQPKV-SNVBAGLBSA-N -2 0 364.420 0.412 20 0 FCADRL CCOC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])C1 ZINC001605551351 1287997933 /nfs/dbraw/zinc/99/79/33/1287997933.db2.gz QNXPFAGRAGTNCI-DCAQKATOSA-N -2 0 364.420 0.410 20 0 FCADRL CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001605866538 1288098789 /nfs/dbraw/zinc/09/87/89/1288098789.db2.gz MFKSRAOITIURKO-UHFFFAOYSA-N -2 0 369.374 0.867 20 0 FCADRL CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3ncn(CC(=O)[O-])n3)ccc21 ZINC001605905529 1288102034 /nfs/dbraw/zinc/10/20/34/1288102034.db2.gz ISTBNTBILIMUAO-UHFFFAOYSA-N -2 0 367.343 0.091 20 0 FCADRL CCn1nncc1C(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001605946874 1288107476 /nfs/dbraw/zinc/10/74/76/1288107476.db2.gz JKMJUUIHSJFBKR-UHFFFAOYSA-N -2 0 356.335 0.183 20 0 FCADRL CNC(=O)c1n[nH]nc1NC(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001606292733 1288256401 /nfs/dbraw/zinc/25/64/01/1288256401.db2.gz RQNSJLLYGINPDA-NTSWFWBYSA-N -2 0 364.284 0.281 20 0 FCADRL COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC001606326580 1288262715 /nfs/dbraw/zinc/26/27/15/1288262715.db2.gz YQYUBQJLSGEWGP-SNVBAGLBSA-N -2 0 359.356 0.296 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)c1ccn(C)n1 ZINC001606341989 1288264389 /nfs/dbraw/zinc/26/43/89/1288264389.db2.gz JVDBOEVMOVUUAV-NSHDSACASA-N -2 0 357.344 0.212 20 0 FCADRL COC(=O)Nc1ccc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])cc1F ZINC001606500932 1288343651 /nfs/dbraw/zinc/34/36/51/1288343651.db2.gz YFADBZGXMXWCGV-UHFFFAOYSA-N -2 0 357.294 0.855 20 0 FCADRL COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)C1 ZINC001606510365 1288352679 /nfs/dbraw/zinc/35/26/79/1288352679.db2.gz LMWIKJKFWJJVMA-DTWKUNHWSA-N -2 0 359.356 0.680 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(OC)ncn2)c1 ZINC001606532181 1288367681 /nfs/dbraw/zinc/36/76/81/1288367681.db2.gz YTMXHFLPUQUQNW-UHFFFAOYSA-N -2 0 367.339 0.771 20 0 FCADRL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nn2)c1 ZINC001606593258 1288399587 /nfs/dbraw/zinc/39/95/87/1288399587.db2.gz QFZLAPGFOAWZDS-UHFFFAOYSA-N -2 0 355.303 0.901 20 0 FCADRL COC(=O)c1ccc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)cc1C(=O)[O-] ZINC001606595259 1288401523 /nfs/dbraw/zinc/40/15/23/1288401523.db2.gz PMSZHVXTYJFJGG-SECBINFHSA-N -2 0 366.326 0.194 20 0 FCADRL COC(=O)c1coc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC001606631018 1288416341 /nfs/dbraw/zinc/41/63/41/1288416341.db2.gz NPCYGRYJDPXSPA-IUCAKERBSA-N -2 0 359.356 0.762 20 0 FCADRL CO[C@@H]1CN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)[C@](C)(C(=O)[O-])C1 ZINC001606773682 1288507002 /nfs/dbraw/zinc/50/70/02/1288507002.db2.gz ZGIZBYBHQDDDRO-BONVTDFDSA-N -2 0 353.400 0.573 20 0 FCADRL CO[C@H]1CN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)[C@](C)(C(=O)[O-])C1 ZINC001606773681 1288507009 /nfs/dbraw/zinc/50/70/09/1288507009.db2.gz ZGIZBYBHQDDDRO-BMIGLBTASA-N -2 0 353.400 0.573 20 0 FCADRL O=C(NCc1n[nH]c(=O)[n-]1)C1(c2ccc(-c3nn[nH]n3)cc2)CCCC1 ZINC001606845427 1288538758 /nfs/dbraw/zinc/53/87/58/1288538758.db2.gz YPSVGJXQZCFJET-UHFFFAOYSA-N -2 0 354.374 0.819 20 0 FCADRL COCC[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1)C(=O)[O-] ZINC001606863215 1288542332 /nfs/dbraw/zinc/54/23/32/1288542332.db2.gz VIEWJDWUQIJJET-GFCCVEGCSA-N -2 0 359.400 0.817 20 0 FCADRL COCCOc1ccc(F)cc1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC1 ZINC001606913670 1288561643 /nfs/dbraw/zinc/56/16/43/1288561643.db2.gz ZNBVAWAQKQTNMG-UHFFFAOYSA-N -2 0 361.347 0.521 20 0 FCADRL COCc1ccc(OC)c(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1 ZINC001606963584 1288578111 /nfs/dbraw/zinc/57/81/11/1288578111.db2.gz PXGIJEYHTYNUDI-UHFFFAOYSA-N -2 0 355.372 0.924 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)cc1NC(C)=O ZINC001607289642 1288696468 /nfs/dbraw/zinc/69/64/68/1288696468.db2.gz DHJGXKGHUSRUSS-UHFFFAOYSA-N -2 0 368.371 0.886 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001607376382 1288702028 /nfs/dbraw/zinc/70/20/28/1288702028.db2.gz DDKDPEPTOOMGKJ-CABZTGNLSA-N -2 0 374.390 0.664 20 0 FCADRL C[C@H](NC(=O)[C@H](C)NC(=O)c1nn(-c2cccc(F)c2)cc1[O-])C(=O)[O-] ZINC001607459730 1288713705 /nfs/dbraw/zinc/71/37/05/1288713705.db2.gz JJTAGTWMFOXXCB-IUCAKERBSA-N -2 0 364.333 0.425 20 0 FCADRL C[C@H](O)[C@H](NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-])C(=O)[O-] ZINC001607461730 1288713797 /nfs/dbraw/zinc/71/37/97/1288713797.db2.gz RAINOYLYOMTSKW-RCOVLWMOSA-N -2 0 359.381 0.712 20 0 FCADRL C[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)C(=O)N[C@@H](C)C(=O)[O-] ZINC001607460508 1288713830 /nfs/dbraw/zinc/71/38/30/1288713830.db2.gz KXFPJVXQHMWQEK-WDSKDSINSA-N -2 0 369.193 0.298 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N[C@H](C[C@H]1CCOC1)C(=O)[O-] ZINC001607519283 1288723283 /nfs/dbraw/zinc/72/32/83/1288723283.db2.gz DMIAROQKHDWDMN-ZYHUDNBSSA-N -2 0 357.384 0.851 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC001607519281 1288723561 /nfs/dbraw/zinc/72/35/61/1288723561.db2.gz DMIAROQKHDWDMN-JQWIXIFHSA-N -2 0 357.384 0.851 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001607519288 1288723712 /nfs/dbraw/zinc/72/37/12/1288723712.db2.gz DSSPNHNUYILSAS-NSHDSACASA-N -2 0 353.356 0.391 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])ccc1-n1cnnn1 ZINC001607579991 1288727729 /nfs/dbraw/zinc/72/77/29/1288727729.db2.gz MPCKAGNAXWUYJZ-UWVGGRQHSA-N -2 0 367.387 0.140 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2cn(C)cn2)cc(C)c1OCC(=O)[O-] ZINC001607579748 1288727769 /nfs/dbraw/zinc/72/77/69/1288727769.db2.gz FPAVIPBBWVHCEW-UHFFFAOYSA-N -2 0 367.383 0.619 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)c(C(=O)[O-])c1 ZINC001607817531 1288740315 /nfs/dbraw/zinc/74/03/15/1288740315.db2.gz ZELBWGGFWQRHPZ-ZWNOBZJWSA-N -2 0 357.384 0.539 20 0 FCADRL Cc1cccc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1C(=O)[O-] ZINC001607862731 1288741457 /nfs/dbraw/zinc/74/14/57/1288741457.db2.gz YJBLKHOVZXODSI-JTQLQIEISA-N -2 0 353.356 0.391 20 0 FCADRL Cc1ncsc1CCS(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])ccn1 ZINC001607993538 1288756658 /nfs/dbraw/zinc/75/66/58/1288756658.db2.gz PDCPVLODCSNNPF-UHFFFAOYSA-N -2 0 355.397 0.847 20 0 FCADRL Cc1nn(C)c(C)c1CCC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001607999214 1288757409 /nfs/dbraw/zinc/75/74/09/1288757409.db2.gz NHMZEWWACNKLHQ-UHFFFAOYSA-N -2 0 372.428 0.629 20 0 FCADRL Cc1oc(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1C(=O)[O-] ZINC001608051359 1288762324 /nfs/dbraw/zinc/76/23/24/1288762324.db2.gz SXFNLHMHRFITIN-WCBMZHEXSA-N -2 0 352.343 0.472 20 0 FCADRL Cn1cc(C(=O)[O-])c([C@@H]2CCCN(S(=O)(=O)CCCC(=O)[O-])C2)n1 ZINC001608100057 1288768252 /nfs/dbraw/zinc/76/82/52/1288768252.db2.gz PEEQTWIHPOZISX-SNVBAGLBSA-N -2 0 359.404 0.492 20 0 FCADRL Cn1cc(CCC(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)cn1 ZINC001608108431 1288769941 /nfs/dbraw/zinc/76/99/41/1288769941.db2.gz KBAHODHSZCYDSE-UHFFFAOYSA-N -2 0 351.384 0.697 20 0 FCADRL Cn1nccc1CC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001608166101 1288785270 /nfs/dbraw/zinc/78/52/70/1288785270.db2.gz WSCRUFVWSSGBCE-UHFFFAOYSA-N -2 0 359.310 0.444 20 0 FCADRL NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC001608242482 1288801301 /nfs/dbraw/zinc/80/13/01/1288801301.db2.gz BWCXVVBPQNIWAC-UHFFFAOYSA-N -2 0 362.363 0.744 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)COCc2cccnc2)c1 ZINC001608348686 1288828190 /nfs/dbraw/zinc/82/81/90/1288828190.db2.gz ZQAJWWBECISJLS-UHFFFAOYSA-N -2 0 364.379 0.943 20 0 FCADRL O=C([O-])[C@@H](O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC001608459453 1288844981 /nfs/dbraw/zinc/84/49/81/1288844981.db2.gz BDZHIUYUNDPXDG-GJZGRUSLSA-N -2 0 372.377 0.712 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)c1cn(CC2CC2)nn1 ZINC001608485163 1288848915 /nfs/dbraw/zinc/84/89/15/1288848915.db2.gz ZQMWHYLMOFVBPS-UHFFFAOYSA-N -2 0 356.385 0.567 20 0 FCADRL O=C([O-])C12CC(C(=O)[N-]S(=O)(=O)c3cccc(-c4nnco4)c3)(C1)C2 ZINC001608582465 1288857540 /nfs/dbraw/zinc/85/75/40/1288857540.db2.gz KBJLJKGVYRJJNX-UHFFFAOYSA-N -2 0 363.351 0.796 20 0 FCADRL O=C([O-])CCCO[N-]C(=O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC001608716042 1288868190 /nfs/dbraw/zinc/86/81/90/1288868190.db2.gz SLJYSNINXRQQIE-UHFFFAOYSA-N -2 0 353.306 0.562 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cccc(CN2CCOCC2)c1 ZINC001608718474 1288869087 /nfs/dbraw/zinc/86/90/87/1288869087.db2.gz VYLCDWWEQMTGSA-UHFFFAOYSA-N -2 0 370.427 0.443 20 0 FCADRL O=C([O-])c1cc(F)ccc1S(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC001608852081 1288875636 /nfs/dbraw/zinc/87/56/36/1288875636.db2.gz YWBBVBSANDKRGN-PELKAZGASA-N -2 0 361.347 0.370 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCN(CC(F)(F)F)C2=O)on1 ZINC001608860246 1288877759 /nfs/dbraw/zinc/87/77/59/1288877759.db2.gz BNAFGTISELUVFI-ZCFIWIBFSA-N -2 0 371.293 0.204 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)on1 ZINC001608860856 1288877890 /nfs/dbraw/zinc/87/78/90/1288877890.db2.gz DKNVVIYJFYMWHV-IAQYHMDHSA-N -2 0 370.358 0.956 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1 ZINC001608932088 1288879326 /nfs/dbraw/zinc/87/93/26/1288879326.db2.gz LUSOTCLXYADDOD-RYUDHWBXSA-N -3 0 371.367 0.322 20 0 FCADRL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)[C@@H](C)C(=O)[O-] ZINC001609125528 1288932464 /nfs/dbraw/zinc/93/24/64/1288932464.db2.gz DLFOKEUXMRZZMZ-PHDIDXHHSA-N -2 0 361.330 0.532 20 0 FCADRL O=C(/C=C\C1CCOCC1)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001609517506 1289191415 /nfs/dbraw/zinc/19/14/15/1289191415.db2.gz AMEQTQATXYDPFV-UPHRSURJSA-N -2 0 371.357 0.641 20 0 FCADRL O=C([O-])CC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001609572440 1289235218 /nfs/dbraw/zinc/23/52/18/1289235218.db2.gz XSTRROUCELBCLP-SECBINFHSA-N -2 0 355.376 0.725 20 0 FCADRL CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C(C)(C)C ZINC001609623200 1289266622 /nfs/dbraw/zinc/26/66/22/1289266622.db2.gz OMTJBSYYSYRHME-SNVBAGLBSA-N -2 0 362.429 0.802 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCN1C(=O)OC(C)(C)C ZINC001609638650 1289270064 /nfs/dbraw/zinc/27/00/64/1289270064.db2.gz JCMRLJZUIYWDPF-IVZWLZJFSA-N -2 0 364.420 0.551 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2ccccc2c(=O)n1C ZINC001609639307 1289270895 /nfs/dbraw/zinc/27/08/95/1289270895.db2.gz VETBYQDWBDECEG-ZJUUUORDSA-N -2 0 366.395 0.707 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C2OCCO2)c1 ZINC001609638939 1289270949 /nfs/dbraw/zinc/27/09/49/1289270949.db2.gz OLRJWOUFEVMZSX-UWVGGRQHSA-N -2 0 357.384 0.901 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(Cc2ccccc2)nn1 ZINC001609639115 1289271058 /nfs/dbraw/zinc/27/10/58/1289271058.db2.gz RERTVRNQBWPXKD-WDEREUQCSA-N -2 0 366.399 0.495 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC001609642200 1289271418 /nfs/dbraw/zinc/27/14/18/1289271418.db2.gz IBMYRHNRSJHZAD-ZCFIWIBFSA-N -2 0 369.804 0.276 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCc1nnc(-c2ccccc2)o1 ZINC001609642152 1289271681 /nfs/dbraw/zinc/27/16/81/1289271681.db2.gz GTJYUPHBWBSESJ-SNVBAGLBSA-N -2 0 367.383 0.978 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H](c1ccccc1)N1CCSCC1 ZINC001609642355 1289271731 /nfs/dbraw/zinc/27/17/31/1289271731.db2.gz NXVATZWWRXCAPE-AAEUAGOBSA-N -2 0 372.468 0.696 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC(C)(C)C)cn1 ZINC001609644090 1289272140 /nfs/dbraw/zinc/27/21/40/1289272140.db2.gz VGTGXWUPWGEJSC-MRVPVSSYSA-N -2 0 358.372 0.570 20 0 FCADRL CC(C)(C)CC(=O)NCC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001609655187 1289274317 /nfs/dbraw/zinc/27/43/17/1289274317.db2.gz FEWCWZXDLKFCEH-UHFFFAOYSA-N -2 0 370.427 0.883 20 0 FCADRL CC(C)(C)n1cc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])nn1 ZINC001609672536 1289278058 /nfs/dbraw/zinc/27/80/58/1289278058.db2.gz XRGCDIDXTBNECN-UHFFFAOYSA-N -2 0 359.389 0.307 20 0 FCADRL CC(C)C[C@H](CNC(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)C(=O)[O-] ZINC001609692040 1289280035 /nfs/dbraw/zinc/28/00/35/1289280035.db2.gz ALZHTGMRPNOIGR-VXGBXAGGSA-N -2 0 354.403 0.563 20 0 FCADRL CC(C)CN1N=C(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])CCC1=O ZINC001609699481 1289281065 /nfs/dbraw/zinc/28/10/65/1289281065.db2.gz NBCHYNQOVKCKSG-NXEZZACHSA-N -2 0 361.420 0.176 20 0 FCADRL CC(C)C[C@H](NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1)C(=O)[O-] ZINC001609702036 1289282314 /nfs/dbraw/zinc/28/23/14/1289282314.db2.gz DBEWWLGLERZEQZ-LBPRGKRZSA-N -2 0 352.343 0.704 20 0 FCADRL CC(C)NC(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1 ZINC001609707408 1289283911 /nfs/dbraw/zinc/28/39/11/1289283911.db2.gz IJAREWJVZAQNLR-VIFPVBQESA-N -2 0 357.388 0.749 20 0 FCADRL C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001609734504 1289287697 /nfs/dbraw/zinc/28/76/97/1289287697.db2.gz AWFIPGPSVJQKKF-VIFPVBQESA-N -2 0 363.363 0.299 20 0 FCADRL C[C@H](Cc1cnn(C)c1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001609751491 1289290104 /nfs/dbraw/zinc/29/01/04/1289290104.db2.gz XTNHURLANFTSIU-MRVPVSSYSA-N -2 0 357.413 0.864 20 0 FCADRL C[C@H](NC(=O)C1CCCCC1)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001609759520 1289292654 /nfs/dbraw/zinc/29/26/54/1289292654.db2.gz JEOPPSJTIQFRFW-VWYCJHECSA-N -2 0 362.448 0.627 20 0 FCADRL C[C@@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2cc(C(=O)[O-])on2)C1=O ZINC001609821557 1289305035 /nfs/dbraw/zinc/30/50/35/1289305035.db2.gz CIYPPONKXZNLFH-KRWDZBQOSA-N -2 0 372.337 0.961 20 0 FCADRL C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C[C@H]1C(=O)[O-] ZINC001609857932 1289312598 /nfs/dbraw/zinc/31/25/98/1289312598.db2.gz XLQFQIJSJXEFSG-BXKDBHETSA-N -2 0 366.345 0.961 20 0 FCADRL C[C@@H]1CCN(C(=O)C(=O)NCCc2cccc(C(=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC001609856207 1289313452 /nfs/dbraw/zinc/31/34/52/1289313452.db2.gz IAZMOLCLZOQSNA-RISCZKNCSA-N -2 0 362.382 0.613 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)[C@@H](C(=O)[O-])[C@H](C)O1 ZINC001609873884 1289321831 /nfs/dbraw/zinc/32/18/31/1289321831.db2.gz GHJQIVFDCKXIGQ-RGNHYFCHSA-N -2 0 361.347 0.775 20 0 FCADRL C[C@@H]1Cc2cccc(C(=O)[N-]S(=O)(=O)N3CCC(C(=O)[O-])CC3)c2O1 ZINC001609877867 1289323379 /nfs/dbraw/zinc/32/33/79/1289323379.db2.gz YZGFXQGBAZIAGU-SNVBAGLBSA-N -2 0 368.411 0.781 20 0 FCADRL CC[C@H](CCNS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)[O-])C(=O)[O-] ZINC001609918788 1289326837 /nfs/dbraw/zinc/32/68/37/1289326837.db2.gz DACSLBNUXGJMOL-SECBINFHSA-N -2 0 373.383 0.951 20 0 FCADRL CCC[C@H](O)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C)C(=O)[O-] ZINC001609957689 1289334122 /nfs/dbraw/zinc/33/41/22/1289334122.db2.gz FENPXRVBSFXKNX-JQWIXIFHSA-N -2 0 363.363 0.725 20 0 FCADRL CCCc1c(C(=O)[N-]S(=O)(=O)CCC(=O)OC)[nH]c(C)c1C(=O)[O-] ZINC001609983548 1289336577 /nfs/dbraw/zinc/33/65/77/1289336577.db2.gz DBFIBTXIGRGIKD-UHFFFAOYSA-N -2 0 360.388 0.597 20 0 FCADRL CCCOc1cccnc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001609981022 1289336832 /nfs/dbraw/zinc/33/68/32/1289336832.db2.gz IHUQCLGVXIVNPG-UHFFFAOYSA-N -2 0 371.415 0.642 20 0 FCADRL CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC001610022316 1289349473 /nfs/dbraw/zinc/34/94/73/1289349473.db2.gz OGBLXOIKXVIDJT-UHFFFAOYSA-N -2 0 373.387 0.393 20 0 FCADRL CCO[C@@H]1C[C@@](NS(=O)(=O)CC(C)(C)C(=O)[O-])(C(=O)[O-])C1(C)C ZINC001610031831 1289352173 /nfs/dbraw/zinc/35/21/73/1289352173.db2.gz PNBGDEBOJFYWHW-YMTOWFKASA-N -2 0 351.421 0.675 20 0 FCADRL CCOc1cnc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])cn1 ZINC001610046746 1289356026 /nfs/dbraw/zinc/35/60/26/1289356026.db2.gz KLLSTAUYGDEZAW-UHFFFAOYSA-N -2 0 358.357 0.149 20 0 FCADRL CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nn2)c1 ZINC001610049269 1289357724 /nfs/dbraw/zinc/35/77/24/1289357724.db2.gz IMGKZAKZLUQJHE-UHFFFAOYSA-N -2 0 371.396 0.769 20 0 FCADRL CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n1 ZINC001610094640 1289369085 /nfs/dbraw/zinc/36/90/85/1289369085.db2.gz UXSMKZQJQGFVIM-UHFFFAOYSA-N -2 0 358.401 0.532 20 0 FCADRL CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001610141001 1289394424 /nfs/dbraw/zinc/39/44/24/1289394424.db2.gz GNGISOIKYGZFRJ-UHFFFAOYSA-N -2 0 368.371 0.585 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC001610196398 1289422403 /nfs/dbraw/zinc/42/24/03/1289422403.db2.gz XZOWFTBIHCAFLN-LLVKDONJSA-N -2 0 359.356 0.559 20 0 FCADRL COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001610241236 1289435959 /nfs/dbraw/zinc/43/59/59/1289435959.db2.gz FZBIDWLPYZYCKQ-VIFPVBQESA-N -2 0 369.754 0.897 20 0 FCADRL COC[C@H](NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)C(=O)[O-] ZINC001610246418 1289436953 /nfs/dbraw/zinc/43/69/53/1289436953.db2.gz MGGVWBJQBGMVSP-NSHDSACASA-N -2 0 351.384 0.291 20 0 FCADRL COC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(=O)[O-] ZINC001610249638 1289437592 /nfs/dbraw/zinc/43/75/92/1289437592.db2.gz FJCYQNVGGSOVBO-QMMMGPOBSA-N -2 0 355.727 0.555 20 0 FCADRL COc1cc(Br)ccc1C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001610280153 1289449248 /nfs/dbraw/zinc/44/92/48/1289449248.db2.gz YMKJOXUUOOZBMG-ZCFIWIBFSA-N -2 0 366.189 0.990 20 0 FCADRL COc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])cc2c1OCCO2 ZINC001610283491 1289450882 /nfs/dbraw/zinc/45/08/82/1289450882.db2.gz XHDLACKFWIIEEX-RKDXNWHRSA-N -2 0 373.383 0.635 20 0 FCADRL COc1cc(CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc(OC)c1OC ZINC001610293835 1289453356 /nfs/dbraw/zinc/45/33/56/1289453356.db2.gz IWRKKRPHNCIVKD-QMMMGPOBSA-N -2 0 361.372 0.174 20 0 FCADRL COc1cc(S(=O)(=O)N[C@@H](Cc2ccco2)C(=O)[O-])ccc1C(=O)[O-] ZINC001610305733 1289456574 /nfs/dbraw/zinc/45/65/74/1289456574.db2.gz CRZVCZYZLOSAFY-LBPRGKRZSA-N -2 0 369.351 0.961 20 0 FCADRL COc1ccc([C@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C(=O)[O-])cc1F ZINC001610323876 1289460021 /nfs/dbraw/zinc/46/00/21/1289460021.db2.gz QZLMYQBXJKWEOD-LBPRGKRZSA-N -2 0 372.330 0.965 20 0 FCADRL COc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c(C(=O)[O-])c1 ZINC001610340144 1289463650 /nfs/dbraw/zinc/46/36/50/1289463650.db2.gz CPAAGIUMQJHFKJ-DTWKUNHWSA-N -2 0 350.327 0.701 20 0 FCADRL COc1ccc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)cc1C(=O)[O-] ZINC001610346886 1289466415 /nfs/dbraw/zinc/46/64/15/1289466415.db2.gz CPXROVWPSFQYLD-UHFFFAOYSA-N -2 0 373.383 0.553 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)c2nn(C)cc2C)c(CC(=O)[O-])c1 ZINC001610346608 1289466678 /nfs/dbraw/zinc/46/66/78/1289466678.db2.gz ZPTRNEHINHMLGI-UHFFFAOYSA-N -2 0 367.383 0.483 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC001610409072 1289482388 /nfs/dbraw/zinc/48/23/88/1289482388.db2.gz XSCSXQZAEKASAI-MFKMUULPSA-N -2 0 357.384 0.539 20 0 FCADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC001610416243 1289483459 /nfs/dbraw/zinc/48/34/59/1289483459.db2.gz NLIFBUZIJKIXFR-LDWIPMOCSA-N -2 0 351.764 0.459 20 0 FCADRL Cc1cc(C)n(C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)C(=O)[O-])n1 ZINC001610456416 1289488899 /nfs/dbraw/zinc/48/88/99/1289488899.db2.gz XPDKWJJUCHPPKR-JTQLQIEISA-N -2 0 373.412 0.691 20 0 FCADRL Cc1ccc(NC(=O)CSCC(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1 ZINC001610507331 1289497101 /nfs/dbraw/zinc/49/71/01/1289497101.db2.gz KBUDTLKLWIXUHG-UHFFFAOYSA-N -2 0 360.413 0.197 20 0 FCADRL Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccnn2C)c(C(=O)[O-])c1 ZINC001610512326 1289498298 /nfs/dbraw/zinc/49/82/98/1289498298.db2.gz FXPGAQPNTAOXII-GFCCVEGCSA-N -2 0 353.356 0.531 20 0 FCADRL Cc1ccccc1-n1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])nn1 ZINC001610528423 1289501374 /nfs/dbraw/zinc/50/13/74/1289501374.db2.gz JPCHUZOKATZWJV-UHFFFAOYSA-N -2 0 352.372 0.500 20 0 FCADRL Cc1csc2ncc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])c(=O)n12 ZINC001610548956 1289506827 /nfs/dbraw/zinc/50/68/27/1289506827.db2.gz CLBLAGPTQGJZHC-YUMQZZPRSA-N -2 0 373.412 0.233 20 0 FCADRL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c(=O)[nH]1 ZINC001610553674 1289508080 /nfs/dbraw/zinc/50/80/80/1289508080.db2.gz RUKJPKZQNGPQBW-UHFFFAOYSA-N -2 0 371.396 0.606 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]C(=O)c2ccc(OCC(=O)[O-])cc2)cn1C ZINC001610560750 1289511049 /nfs/dbraw/zinc/51/10/49/1289511049.db2.gz NUMZRCZSULOUKR-UHFFFAOYSA-N -2 0 353.356 0.311 20 0 FCADRL Cc1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001610567819 1289512290 /nfs/dbraw/zinc/51/22/90/1289512290.db2.gz BDEYIVJCOPGDPH-UHFFFAOYSA-N -2 0 364.792 0.655 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)CNC(=O)CCC(C)C ZINC001610580824 1289516468 /nfs/dbraw/zinc/51/64/68/1289516468.db2.gz GRAKZSXDFPHHLB-UHFFFAOYSA-N -2 0 360.388 0.644 20 0 FCADRL Cn1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)ccc1=O ZINC001610600545 1289522352 /nfs/dbraw/zinc/52/23/52/1289522352.db2.gz XSNCTRGNWKSHMT-UHFFFAOYSA-N -2 0 350.352 0.343 20 0 FCADRL NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])cc1 ZINC001610646752 1289540608 /nfs/dbraw/zinc/54/06/08/1289540608.db2.gz OSXULFQQTXNHPP-UHFFFAOYSA-N -2 0 362.410 0.895 20 0 FCADRL Nc1c(NS(=O)(=O)CCC(=O)[O-])cc(Br)cc1C(=O)[O-] ZINC001610649649 1289542771 /nfs/dbraw/zinc/54/27/71/1289542771.db2.gz OHCGOSPSNIGQBF-UHFFFAOYSA-N -2 0 367.177 0.946 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)COCc1ccccc1 ZINC001610669382 1289548569 /nfs/dbraw/zinc/54/85/69/1289548569.db2.gz RHSVFWAGWBSRLU-UHFFFAOYSA-N -2 0 356.381 0.863 20 0 FCADRL O=C([O-])[C@@H](CNC(=O)c1n[nH]c(=O)[n-]1)Oc1ccc(Br)cc1 ZINC001610688803 1289553909 /nfs/dbraw/zinc/55/39/09/1289553909.db2.gz TUSAOYYXIATCMK-MRVPVSSYSA-N -2 0 371.147 0.535 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)COC3)CC1 ZINC001610701293 1289560519 /nfs/dbraw/zinc/56/05/19/1289560519.db2.gz GBGXCIYRBNRPQY-UHFFFAOYSA-N -2 0 354.384 0.488 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)c2cccc3c[nH]nc32)CC1 ZINC001610701799 1289560613 /nfs/dbraw/zinc/56/06/13/1289560613.db2.gz MCLPEXSAYRSSKC-UHFFFAOYSA-N -2 0 352.372 0.334 20 0 FCADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cnn(CC3CC3)c2)C1 ZINC001610741160 1289574062 /nfs/dbraw/zinc/57/40/62/1289574062.db2.gz OAXRXWUQDPNHGZ-NWDGAFQWSA-N -2 0 355.416 0.989 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)C[C@H]1C(=O)[O-] ZINC001610744737 1289575114 /nfs/dbraw/zinc/57/51/14/1289575114.db2.gz LBFQYKMLOFDBQW-NXEZZACHSA-N -3 0 363.388 0.069 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001610789275 1289593142 /nfs/dbraw/zinc/59/31/42/1289593142.db2.gz FSZINYPGUJBMNT-SNVBAGLBSA-N -2 0 374.802 0.219 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001610789240 1289593222 /nfs/dbraw/zinc/59/32/22/1289593222.db2.gz CLQKHVLPQIXYJA-QMMMGPOBSA-N -2 0 360.775 0.224 20 0 FCADRL O=C([O-])Cc1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)cc1 ZINC001610791224 1289594173 /nfs/dbraw/zinc/59/41/73/1289594173.db2.gz APBZUPRLWNQFMB-UHFFFAOYSA-N -2 0 364.354 0.250 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncccc2N2CCOCC2)c[nH]1 ZINC001610817011 1289601360 /nfs/dbraw/zinc/60/13/60/1289601360.db2.gz QHARGIWMVWJBIE-UHFFFAOYSA-N -2 0 352.372 0.745 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)c1 ZINC001610847100 1289607047 /nfs/dbraw/zinc/60/70/47/1289607047.db2.gz WSVJFJLWDQQXCL-CYZMBNFOSA-N -2 0 351.380 0.946 20 0 FCADRL O=C([O-])c1cn(C2CCN(C(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)CC2)nn1 ZINC001610857923 1289609246 /nfs/dbraw/zinc/60/92/46/1289609246.db2.gz DYBJSFBSEWAKJF-VHSXEESVSA-N -2 0 351.363 0.576 20 0 FCADRL O=C([O-])c1cncc(C(=O)[N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC001610862020 1289611145 /nfs/dbraw/zinc/61/11/45/1289611145.db2.gz MRCKITMYMKZKQZ-UHFFFAOYSA-N -2 0 364.364 0.903 20 0 FCADRL O=C([O-])c1coc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1 ZINC001610867276 1289612268 /nfs/dbraw/zinc/61/22/68/1289612268.db2.gz VYORXXNUEUFKIQ-UHFFFAOYSA-N -2 0 364.335 0.382 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)c1cnn2ccncc12 ZINC001610877385 1289615765 /nfs/dbraw/zinc/61/57/65/1289615765.db2.gz VHVKDQRDWGTUCL-UHFFFAOYSA-N -2 0 352.353 0.608 20 0 FCADRL COc1cc(OC)c(S(=O)(=O)[N-]C(=O)CCCC(=O)[O-])c(OC)c1 ZINC001118915567 847634286 /nfs/dbraw/zinc/63/42/86/847634286.db2.gz WOIMWHJEZOHQJW-UHFFFAOYSA-N -2 0 361.372 0.772 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)Nc2nnc([N-]S(C)(=O)=O)s2)cc1=O ZINC001136359388 849218587 /nfs/dbraw/zinc/21/85/87/849218587.db2.gz FWBAXCLJPVQQQF-UHFFFAOYSA-N -2 0 374.448 0.237 20 0 FCADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC001141574004 849402392 /nfs/dbraw/zinc/40/23/92/849402392.db2.gz YFJMSBXGEYFMMD-UHFFFAOYSA-N -2 0 352.250 0.367 20 0 FCADRL O=C([O-])C(=O)Nc1c(Br)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC001143422411 849487026 /nfs/dbraw/zinc/48/70/26/849487026.db2.gz DPAJRZLQLXAUDE-UHFFFAOYSA-N -2 0 368.143 0.783 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1nc(Br)n2ccccc12 ZINC001156798416 849928366 /nfs/dbraw/zinc/92/83/66/849928366.db2.gz PJQSXIHUTMTRDY-UHFFFAOYSA-N -2 0 364.092 0.936 20 0 FCADRL CSc1nc(CNC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)cc(=O)[nH]1 ZINC001163578336 850373998 /nfs/dbraw/zinc/37/39/98/850373998.db2.gz QPPPCDBPQBAJLN-UHFFFAOYSA-N -2 0 351.432 0.909 20 0 FCADRL Cc1nc(N)ncc1Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001175670982 850770458 /nfs/dbraw/zinc/77/04/58/850770458.db2.gz HHHNAOCMLQNGAS-UHFFFAOYSA-N -2 0 360.373 0.604 20 0 FCADRL O=C(COc1ncc(Br)cn1)NCCCC[P@](=O)([O-])O ZINC001177583292 850855829 /nfs/dbraw/zinc/85/58/29/850855829.db2.gz BSUBSRLUSRBSKN-UHFFFAOYSA-N -2 0 368.124 0.692 20 0 FCADRL CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCCCC[P@@](=O)([O-])O)C1 ZINC001178586011 850909981 /nfs/dbraw/zinc/90/99/81/850909981.db2.gz GJCGZELZHZAXOI-LLVKDONJSA-N -2 0 366.351 0.696 20 0 FCADRL O=C(OCc1ccccc1)[C@H]1C[C@]1(F)C(=O)NCCOP(=O)([O-])[O-] ZINC001178871368 850936599 /nfs/dbraw/zinc/93/65/99/850936599.db2.gz AUSWPUMWHRHHLG-BXUZGUMPSA-N -2 0 361.262 0.684 20 0 FCADRL O=C(OCc1ccccc1)[C@@H]1C[C@]1(F)C(=O)NCCOP(=O)([O-])[O-] ZINC001178871371 850936651 /nfs/dbraw/zinc/93/66/51/850936651.db2.gz AUSWPUMWHRHHLG-SMDDNHRTSA-N -2 0 361.262 0.684 20 0 FCADRL CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)NCCOP(=O)([O-])[O-] ZINC001181862323 851137621 /nfs/dbraw/zinc/13/76/21/851137621.db2.gz LMXURIAPMKYFAW-QMMMGPOBSA-N -2 0 352.280 0.138 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cnc(C(N)=O)cn2)cc1C(=O)[O-] ZINC001185270083 851347963 /nfs/dbraw/zinc/34/79/63/851347963.db2.gz XRZXKYUWHIVJMZ-UHFFFAOYSA-N -2 0 352.328 0.083 20 0 FCADRL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)n(C)n1 ZINC001185269965 851348718 /nfs/dbraw/zinc/34/87/18/851348718.db2.gz VXPHMCRQAZGINK-UHFFFAOYSA-N -2 0 369.355 0.714 20 0 FCADRL COC(=O)c1ccnnc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185276306 851349276 /nfs/dbraw/zinc/34/92/76/851349276.db2.gz ZQRKINGAGXUXRI-UHFFFAOYSA-N -2 0 367.339 0.771 20 0 FCADRL CN(CCO)c1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)ncn1 ZINC001186144515 851415546 /nfs/dbraw/zinc/41/55/46/851415546.db2.gz XVWFHELVVCPRPI-UHFFFAOYSA-N -2 0 370.362 0.543 20 0 FCADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2SC(=O)[N-]C2=O)c1 ZINC001187591755 851582544 /nfs/dbraw/zinc/58/25/44/851582544.db2.gz OYGUSGUMRLDUJN-MRVPVSSYSA-N -2 0 350.761 0.626 20 0 FCADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CCC2(CC1)COCC(=O)N2 ZINC001189870858 851833253 /nfs/dbraw/zinc/83/32/53/851833253.db2.gz FRNPWRGDRVFUIX-UHFFFAOYSA-N -2 0 370.298 0.279 20 0 FCADRL CCOC(=O)c1c[nH]nc1CNC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189904515 851840973 /nfs/dbraw/zinc/84/09/73/851840973.db2.gz DQLOJVKNZJNSJQ-UHFFFAOYSA-N -2 0 369.270 0.988 20 0 FCADRL C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(C(=O)[O-])cc(S(=O)(=O)[O-])c3)C[C@H]21 ZINC001189924875 851844098 /nfs/dbraw/zinc/84/40/98/851844098.db2.gz UERIFKDCXBWHLC-IINYFYTJSA-N -2 0 368.411 0.798 20 0 FCADRL C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(C(=O)[O-])cc(S(=O)(=O)[O-])c3)C[C@@H]21 ZINC001189924877 851844129 /nfs/dbraw/zinc/84/41/29/851844129.db2.gz UERIFKDCXBWHLC-YGRLFVJLSA-N -2 0 368.411 0.798 20 0 FCADRL O=C([O-])c1cc(C(=O)NCC2(F)CCOCC2)cc(S(=O)(=O)[O-])c1 ZINC001189933413 851845059 /nfs/dbraw/zinc/84/50/59/851845059.db2.gz JUVZHPSZNVCVRR-UHFFFAOYSA-N -2 0 361.347 0.880 20 0 FCADRL COC(=O)C1(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)CCCC1 ZINC001189933007 851845781 /nfs/dbraw/zinc/84/57/81/851845781.db2.gz GIVLTRFBKRMLIB-UHFFFAOYSA-N -2 0 371.367 0.847 20 0 FCADRL CC(C)(C)N1CC(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)C1 ZINC001189941182 851846311 /nfs/dbraw/zinc/84/63/11/851846311.db2.gz CNEKYCKXUGGTKZ-UHFFFAOYSA-N -2 0 356.400 0.844 20 0 FCADRL CC(=O)NCCCCCNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189942418 851847537 /nfs/dbraw/zinc/84/75/37/851847537.db2.gz ZRYCLAQDGPSHPV-UHFFFAOYSA-N -2 0 372.399 0.668 20 0 FCADRL NC(=O)[C@H]1COCCC12CN(C(=O)c1ccccc1OP(=O)([O-])[O-])C2 ZINC001278367161 862307532 /nfs/dbraw/zinc/30/75/32/862307532.db2.gz WBOUIZNWVUIOKN-LLVKDONJSA-N -2 0 370.298 0.122 20 0 FCADRL CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCOP(=O)([O-])[O-])c1 ZINC001191317441 852047828 /nfs/dbraw/zinc/04/78/28/852047828.db2.gz KURLMBCUCAVMFC-UHFFFAOYSA-N -2 0 359.275 0.443 20 0 FCADRL Cn1cnc2ncnc-2c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192685962 852275295 /nfs/dbraw/zinc/27/52/95/852275295.db2.gz JMIAZTAWJHBXBT-UHFFFAOYSA-N -2 0 363.355 0.579 20 0 FCADRL COC(=O)c1nsnc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192685422 852275454 /nfs/dbraw/zinc/27/54/54/852275454.db2.gz MKJIXGQWXARCRN-UHFFFAOYSA-N -2 0 373.368 0.589 20 0 FCADRL CCOC(=O)[C@H](Cc1ccccc1)NC(=O)NCCOP(=O)([O-])[O-] ZINC001192771811 852289967 /nfs/dbraw/zinc/28/99/67/852289967.db2.gz KEFBZGDKBZPWAZ-LBPRGKRZSA-N -2 0 360.303 0.569 20 0 FCADRL CCc1ncc(Br)c(C(=O)NCCOP(=O)([O-])[O-])n1 ZINC001195163018 852717719 /nfs/dbraw/zinc/71/77/19/852717719.db2.gz IVVFRRXTMUSMQD-UHFFFAOYSA-N -2 0 354.097 0.641 20 0 FCADRL COC(=O)[C@@]1(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCOC1 ZINC001195267732 852734632 /nfs/dbraw/zinc/73/46/32/852734632.db2.gz FOELYJFNMKVNNJ-CYBMUJFWSA-N -2 0 365.310 0.273 20 0 FCADRL Cn1nnnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC001196008253 852868809 /nfs/dbraw/zinc/86/88/09/852868809.db2.gz JBJYIHDRZMXURW-UHFFFAOYSA-N -2 0 362.165 0.472 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cnc(OCC2CCOCC2)nc1 ZINC001198941763 853343756 /nfs/dbraw/zinc/34/37/56/853343756.db2.gz NSZBYFATWUPZSN-UHFFFAOYSA-N -2 0 361.291 0.121 20 0 FCADRL Cc1cccc(C)c1NC(=O)COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001205307476 853602964 /nfs/dbraw/zinc/60/29/64/853602964.db2.gz GDBWGGHIDYNTED-HZMBPMFUSA-N -2 0 353.327 0.322 20 0 FCADRL COCn1cc(Nc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])cn1 ZINC001216575665 855213509 /nfs/dbraw/zinc/21/35/09/855213509.db2.gz SWOIYPIOLYMYSI-UHFFFAOYSA-N -2 0 363.373 0.724 20 0 FCADRL COc1ccc(CCOC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1OC ZINC001222286685 856822178 /nfs/dbraw/zinc/82/21/78/856822178.db2.gz LSFNTVLSWWLPNT-YGRLFVJLSA-N -2 0 356.327 0.326 20 0 FCADRL COc1cc(COC(=O)[C@H](O)COP(=O)([O-])[O-])cc(OC)c1OC ZINC001223629831 856933101 /nfs/dbraw/zinc/93/31/01/856933101.db2.gz IBCPHVREIVDQOJ-SECBINFHSA-N -2 0 366.259 0.226 20 0 FCADRL O=C([O-])C[C@@H](C(=O)OCc1cc(-c2cccs2)on1)[C@@H](O)C(=O)[O-] ZINC001223659640 856935309 /nfs/dbraw/zinc/93/53/09/856935309.db2.gz SUUJOXWOVIIASB-PRHODGIISA-N -2 0 355.324 0.983 20 0 FCADRL COC(=O)[C@@H](OC(=O)[C@H](O)COP(=O)([O-])[O-])c1cccc(Cl)c1 ZINC001223928974 856952545 /nfs/dbraw/zinc/95/25/45/856952545.db2.gz GYNZSHMEYPTUIE-ZJUUUORDSA-N -2 0 368.662 0.568 20 0 FCADRL COC(=O)c1ccc(C)cc1COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001224205657 856968526 /nfs/dbraw/zinc/96/85/26/856968526.db2.gz ZRAKUSIYEZEYTB-AAEUAGOBSA-N -2 0 354.311 0.361 20 0 FCADRL CCOc1ccccc1OCCOC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001224494035 856984523 /nfs/dbraw/zinc/98/45/23/856984523.db2.gz HUMBUPXHKMPXEG-SNVBAGLBSA-N -2 0 350.260 0.478 20 0 FCADRL CCOc1ccccc1OCCOC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001224494478 856985002 /nfs/dbraw/zinc/98/50/02/856985002.db2.gz PTKWCHIUTXDVAJ-IINYFYTJSA-N -2 0 356.327 0.544 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@@H]1COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225052761 857016149 /nfs/dbraw/zinc/01/61/49/857016149.db2.gz IXBOQWDNKYSDAW-FXPVBKGRSA-N -2 0 361.347 0.075 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@H]1COC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001225054082 857017387 /nfs/dbraw/zinc/01/73/87/857017387.db2.gz CLMPFBIADDBZDU-DTWKUNHWSA-N -2 0 355.280 0.009 20 0 FCADRL CC(C)(C)OC(=O)N1CC(CCOC(=O)[C@H](O)COP(=O)([O-])[O-])C1 ZINC001225083130 857019201 /nfs/dbraw/zinc/01/92/01/857019201.db2.gz GMQNTEDMNNKAFV-SNVBAGLBSA-N -2 0 369.307 0.257 20 0 FCADRL COC(=O)c1ccc(Cl)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225382651 857038630 /nfs/dbraw/zinc/03/86/30/857038630.db2.gz QDRLHJRNXGPTCA-KWQFWETISA-N -2 0 360.702 0.568 20 0 FCADRL COc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(OC)c1OC ZINC001226033633 857079541 /nfs/dbraw/zinc/07/95/41/857079541.db2.gz NGUQFFOEXHWKFI-RDDDGLTNSA-N -2 0 358.299 0.154 20 0 FCADRL Nc1nc(-c2cccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c2)cs1 ZINC001226109143 857085254 /nfs/dbraw/zinc/08/52/54/857085254.db2.gz COZWSRRJLGQSTC-SNVBAGLBSA-N -2 0 360.284 0.768 20 0 FCADRL O=C(Oc1cccc(Br)c1F)[C@H](O)COP(=O)([O-])[O-] ZINC001226129605 857085342 /nfs/dbraw/zinc/08/53/42/857085342.db2.gz SLRGTUQBTWLAPG-ZCFIWIBFSA-N -2 0 359.040 0.964 20 0 FCADRL CCOC(=O)Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001226396580 857102209 /nfs/dbraw/zinc/10/22/09/857102209.db2.gz IZZQVDGMNKZIDK-SMDDNHRTSA-N -2 0 354.311 0.234 20 0 FCADRL O=c1nc2ccccc2c(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1 ZINC001226976976 857135578 /nfs/dbraw/zinc/13/55/78/857135578.db2.gz JJQFJCJGEJCAAS-NSHDSACASA-N -2 0 369.399 0.303 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1nccc(C(F)(F)F)c1F)[C@@H](O)C(=O)[O-] ZINC001227024073 857137568 /nfs/dbraw/zinc/13/75/68/857137568.db2.gz WFILZRNVCKEMOI-SPGJFGJESA-N -2 0 355.196 0.681 20 0 FCADRL O=C([O-])C[C@@H](O)C(=O)Oc1c(Cl)cc(S(=O)(=O)[O-])cc1Cl ZINC001227633576 857168525 /nfs/dbraw/zinc/16/85/25/857168525.db2.gz BTPOUPKYXABUIW-SSDOTTSWSA-N -2 0 359.139 0.981 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1nc(Br)cs1)[C@@H](O)C(=O)[O-] ZINC001227675959 857169298 /nfs/dbraw/zinc/16/92/98/857169298.db2.gz OIPWFIADQVUMAF-BBIVZNJYSA-N -2 0 354.134 0.347 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1nc(Br)cs1)[C@H](O)C(=O)[O-] ZINC001227675962 857169417 /nfs/dbraw/zinc/16/94/17/857169417.db2.gz OIPWFIADQVUMAF-DZSWIPIPSA-N -2 0 354.134 0.347 20 0 FCADRL Cc1cc(Br)cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001228058403 857190341 /nfs/dbraw/zinc/19/03/41/857190341.db2.gz JBXSTBBBUUGRTL-XVKPBYJWSA-N -2 0 362.132 0.594 20 0 FCADRL CCOC(=O)c1cc(O)cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001228038756 857189739 /nfs/dbraw/zinc/18/97/39/857189739.db2.gz ZXDMFLJHANGEBF-JQWIXIFHSA-N -2 0 356.283 0.011 20 0 FCADRL O=C([O-])C[C@H](O)C(=O)Oc1[n-]c(=O)nc2c(Br)cccc12 ZINC001228062721 857190671 /nfs/dbraw/zinc/19/06/71/857190671.db2.gz STHQGBGXCGGMAS-ZETCQYMHSA-N -2 0 357.116 0.839 20 0 FCADRL COc1cc(CC(C)=O)ccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228247815 857198279 /nfs/dbraw/zinc/19/82/79/857198279.db2.gz BNGHCOTVCVGPIH-QMTHXVAHSA-N -2 0 354.311 0.269 20 0 FCADRL CCC(=O)c1c(O)cc(O)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001228553402 857215055 /nfs/dbraw/zinc/21/50/55/857215055.db2.gz BRZVVVHNHTVHHK-SECBINFHSA-N -2 0 350.216 0.066 20 0 FCADRL Cc1ccc(Br)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001228744948 857226898 /nfs/dbraw/zinc/22/68/98/857226898.db2.gz HBDWJELUNGAGOC-MUWHJKNJSA-N -2 0 362.132 0.594 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1[nH]c(=S)nc2ccccc21)[C@H](O)C(=O)[O-] ZINC001228766750 857228211 /nfs/dbraw/zinc/22/82/11/857228211.db2.gz VCBZMVOWIZRLTP-XVKPBYJWSA-N -2 0 352.324 0.360 20 0 FCADRL COC(=O)c1sc(C)c(C)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228877616 857234348 /nfs/dbraw/zinc/23/43/48/857234348.db2.gz HXMAZBVEPNASCD-VXNVDRBHSA-N -2 0 360.340 0.593 20 0 FCADRL O=C(Oc1ccc(O[C@@H]2CCCCO2)cc1)[C@H](O)COP(=O)([O-])[O-] ZINC001229041735 857246124 /nfs/dbraw/zinc/24/61/24/857246124.db2.gz PVJIVVOKVNBDCK-CHWSQXEVSA-N -2 0 362.271 0.968 20 0 FCADRL COc1cccc2c(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc(C)nc12 ZINC001229818386 857288458 /nfs/dbraw/zinc/28/84/58/857288458.db2.gz NQBZOQUGFUZUJO-SECBINFHSA-N -2 0 358.243 0.322 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(Cl)c2c1C(=O)CC2)[C@@H](O)C(=O)[O-] ZINC001229851586 857290559 /nfs/dbraw/zinc/29/05/59/857290559.db2.gz YFNQENJIVUMVTG-WPPNPWJKSA-N -2 0 356.714 0.911 20 0 FCADRL COc1ccc2nc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])sc2n1 ZINC001229996794 857296876 /nfs/dbraw/zinc/29/68/76/857296876.db2.gz OWQWXSWNPRRDKK-MLUIRONXSA-N -2 0 356.312 0.142 20 0 FCADRL COC(=O)c1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(C)cc1F ZINC001230040176 857298568 /nfs/dbraw/zinc/29/85/68/857298568.db2.gz KKQBZLLLBPDMBR-PELKAZGASA-N -2 0 358.274 0.363 20 0 FCADRL O=C([O-])C[C@H](O)C(=O)Oc1c(Cl)cc(Cl)cc1S(=O)(=O)[O-] ZINC001230111928 857304004 /nfs/dbraw/zinc/30/40/04/857304004.db2.gz OGSUMCKIJQIJJG-LURJTMIESA-N -2 0 359.139 0.981 20 0 FCADRL COc1cc(C(C)=O)c(F)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230274259 857321318 /nfs/dbraw/zinc/32/13/18/857321318.db2.gz QUORMQSKCUSGHK-SDBXPKJASA-N -2 0 358.274 0.479 20 0 FCADRL COc1ccc(NC(C)=O)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001230391517 857332310 /nfs/dbraw/zinc/33/23/10/857332310.db2.gz QICIKUPHVPMVHG-NOZJJQNGSA-N -2 0 355.299 0.095 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ncnc2cccc(Cl)c21)[C@@H](O)C(=O)[O-] ZINC001230760210 857346543 /nfs/dbraw/zinc/34/65/43/857346543.db2.gz XRIPYHPHYBKYRX-UPONEAKYSA-N -2 0 354.702 0.725 20 0 FCADRL CC(=O)c1ccc2nc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])sc2c1 ZINC001233604129 857387289 /nfs/dbraw/zinc/38/72/89/857387289.db2.gz BCABEGSWAXXKHA-UFBFGSQYSA-N -2 0 367.335 0.941 20 0 FCADRL CCOC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1C ZINC001233806154 857389933 /nfs/dbraw/zinc/38/99/33/857389933.db2.gz WKAHZIWLBOZGAC-WCQYABFASA-N -2 0 354.311 0.614 20 0 FCADRL COC(=O)c1ccc(F)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1F ZINC001233909689 857392347 /nfs/dbraw/zinc/39/23/47/857392347.db2.gz KTVPVSBVGMJNOM-LHLIQPBNSA-N -2 0 362.237 0.193 20 0 FCADRL CSc1ncc2c(ccnc2OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001233956359 857392714 /nfs/dbraw/zinc/39/27/14/857392714.db2.gz GOVUKGURHADBPM-LHLIQPBNSA-N -2 0 367.339 0.189 20 0 FCADRL COc1cc(OC)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1Cl ZINC001234944032 857415844 /nfs/dbraw/zinc/41/58/44/857415844.db2.gz VTHRRUXWGQAXQD-SREIQFSDSA-N -2 0 362.718 0.799 20 0 FCADRL COc1cc(C(C)=O)c(C)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234957010 857416666 /nfs/dbraw/zinc/41/66/66/857416666.db2.gz VUNSWVYBVOUFBJ-IINYFYTJSA-N -2 0 354.311 0.648 20 0 FCADRL COc1cc(C(C)=O)c(C)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234957002 857416682 /nfs/dbraw/zinc/41/66/82/857416682.db2.gz VUNSWVYBVOUFBJ-HZMBPMFUSA-N -2 0 354.311 0.648 20 0 FCADRL O=P([O-])([O-])OCCNS(=O)(=O)c1ccc(Br)s1 ZINC001259059692 858236042 /nfs/dbraw/zinc/23/60/42/858236042.db2.gz VOELNFLJLBQFRE-UHFFFAOYSA-N -3 0 366.151 0.898 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cncc(N3CCOCC3)n2)cc1 ZINC001260221903 858356390 /nfs/dbraw/zinc/35/63/90/858356390.db2.gz ZNHPYWZZGCQUGT-UHFFFAOYSA-N -2 0 364.383 0.812 20 0 FCADRL CCOC(=O)c1noc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC001260219296 858356645 /nfs/dbraw/zinc/35/66/45/858356645.db2.gz LUCUTQRDMNTKBA-UHFFFAOYSA-N -2 0 373.318 0.562 20 0 FCADRL CCOC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260393727 858366346 /nfs/dbraw/zinc/36/63/46/858366346.db2.gz UVGAXILAAUGWSH-UHFFFAOYSA-N -2 0 367.339 0.858 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)N[C@H](c2nc(=O)o[n-]2)C(C)(C)C)cc1=O ZINC001299827661 866197389 /nfs/dbraw/zinc/19/73/89/866197389.db2.gz QVVOAHPMHMXMBH-CYBMUJFWSA-N -2 0 351.407 0.955 20 0 FCADRL COC(=O)Cc1cc(OC)ccc1S(=O)(=O)[N-]C(=O)CCCC(=O)[O-] ZINC001330253642 872543470 /nfs/dbraw/zinc/54/34/70/872543470.db2.gz NAQTUZCVWNJVCL-UHFFFAOYSA-N -2 0 373.383 0.471 20 0 FCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)CCC1 ZINC001331818616 873260260 /nfs/dbraw/zinc/26/02/60/873260260.db2.gz MQRXAGPJUMARRQ-UHFFFAOYSA-N -2 0 373.408 0.175 20 0 FCADRL COCCOc1ccc(S(=O)(=O)[N-]c2c(C(=O)[O-])cnn2C)cc1 ZINC000323867778 971048244 /nfs/dbraw/zinc/04/82/44/971048244.db2.gz HTXAIXJPPGWQGN-UHFFFAOYSA-N -2 0 355.372 0.944 20 0 FCADRL O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1 ZINC000826425915 948275626 /nfs/dbraw/zinc/27/56/26/948275626.db2.gz ZWMRYNIIAJVFSX-UHFFFAOYSA-N -2 0 352.318 0.193 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)cc1C(N)=O ZINC000392601192 951422424 /nfs/dbraw/zinc/42/24/24/951422424.db2.gz PVBHIHFYMVGGEZ-UHFFFAOYSA-N -2 0 351.384 0.942 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC001593707570 954153391 /nfs/dbraw/zinc/15/33/91/954153391.db2.gz RGBMUHQGFWTAAP-GFCCVEGCSA-N -2 0 356.400 0.722 20 0 FCADRL CNS(=O)(=O)c1cc(NC(=O)C2(C(=O)[O-])CCSCC2)ccc1[O-] ZINC001593798926 954843936 /nfs/dbraw/zinc/84/39/36/954843936.db2.gz HZOHFXIZAJZYEC-UHFFFAOYSA-N -2 0 374.440 0.837 20 0 FCADRL O=C([O-])[C@H]1COCCN1C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001594957685 954992673 /nfs/dbraw/zinc/99/26/73/954992673.db2.gz UTDYQFQDWQSZFL-LLVKDONJSA-N -2 0 353.281 0.782 20 0 FCADRL COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCCCC(=O)[O-])cc2)[n-]1 ZINC001593855141 955491214 /nfs/dbraw/zinc/49/12/14/955491214.db2.gz WNEYKRBXTPEDSM-UHFFFAOYSA-N -2 0 361.354 0.476 20 0 FCADRL Cn1cc(/C=C\C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])cn1 ZINC000852955763 955881809 /nfs/dbraw/zinc/88/18/09/955881809.db2.gz ARRAMSGRMSJSJP-CKUGJSDZSA-N -2 0 374.319 0.556 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CC(=O)Nc1ccccn1 ZINC001594692511 956758270 /nfs/dbraw/zinc/75/82/70/956758270.db2.gz WJWKKYBWFCKAGL-JOYOIKCWSA-N -2 0 374.319 0.616 20 0 FCADRL O=C([O-])c1c(F)ccc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])c1F ZINC000058117222 957555704 /nfs/dbraw/zinc/55/57/04/957555704.db2.gz VWCVMSWEPQUNAN-LURJTMIESA-N -2 0 353.324 0.811 20 0 FCADRL O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1ncc(Br)cc1[O-])C2 ZINC001574825152 957927580 /nfs/dbraw/zinc/92/75/80/957927580.db2.gz NBFVJYNMJMIVJA-CPFSXVBKSA-N -2 0 357.160 0.723 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC[C@H](C)[C@@H](C(=O)[O-])C3)cc2=O)n1 ZINC001594305331 957962334 /nfs/dbraw/zinc/96/23/34/957962334.db2.gz ANALHMUQSBIUPC-CABZTGNLSA-N -2 0 359.386 0.755 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cnc(C(=O)[O-])cn2)cc1N(C)C ZINC001594377195 958602649 /nfs/dbraw/zinc/60/26/49/958602649.db2.gz MMHZZWKTECVUNW-UHFFFAOYSA-N -2 0 364.383 0.668 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N[C@H](C(=O)[O-])c2ccnn2C)c1 ZINC001594131383 958674290 /nfs/dbraw/zinc/67/42/90/958674290.db2.gz FRJPQRVGXYDFEU-LFPIHBKWSA-N -2 0 351.384 0.478 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC001594247250 959587276 /nfs/dbraw/zinc/58/72/76/959587276.db2.gz DRTIXPRUTTYKJZ-KRWDZBQOSA-N -2 0 357.370 0.956 20 0 FCADRL Cc1cc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c(C)nn1 ZINC001574312420 960766410 /nfs/dbraw/zinc/76/64/10/960766410.db2.gz LBRAHSHEAMGMBZ-GHMZBOCLSA-N -2 0 374.319 0.830 20 0 FCADRL CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)[N-]OC/C=C/Cl)C1 ZINC001588698518 960781131 /nfs/dbraw/zinc/78/11/31/960781131.db2.gz JMZBRXBRVOFRJA-ISZGNANSSA-N -2 0 364.782 0.877 20 0 FCADRL Cc1ncc(CC(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])o1 ZINC001574426437 961366967 /nfs/dbraw/zinc/36/69/67/961366967.db2.gz GWOVSHHJAPSHSN-GXSJLCMTSA-N -2 0 363.292 0.648 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)cc1=O ZINC001588911137 962301725 /nfs/dbraw/zinc/30/17/25/962301725.db2.gz UXFAAZFPFAFZFY-HZEYSBKDSA-N -2 0 365.430 0.904 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ncccc1F ZINC001574649183 962412181 /nfs/dbraw/zinc/41/21/81/962412181.db2.gz XXWRFLUTNDDHNZ-PSASIEDQSA-N -2 0 363.267 0.957 20 0 FCADRL COc1cc(OC)cc(S(=O)(=O)[N-]C(=O)c2cnc(C(=O)[O-])cn2)c1 ZINC001607186958 970386264 /nfs/dbraw/zinc/38/62/64/970386264.db2.gz ZSKHXIMERMIJQJ-UHFFFAOYSA-N -2 0 367.339 0.311 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc(O)cn1 ZINC001605971315 972982587 /nfs/dbraw/zinc/98/25/87/972982587.db2.gz WZMUHUQBKHTPRY-WPRPVWTQSA-N -2 0 361.276 0.524 20 0 FCADRL C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC001603387921 972986320 /nfs/dbraw/zinc/98/63/20/972986320.db2.gz CZUDYCDACMKGDJ-GHMZBOCLSA-N -2 0 370.427 0.968 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1CCC1 ZINC001605974764 972995330 /nfs/dbraw/zinc/99/53/30/972995330.db2.gz WDEOWLFGZZUYHF-BDAKNGLRSA-N -2 0 358.338 0.465 20 0 FCADRL O=C([O-])CC1(C(=O)NCc2nc3c(c(=O)[nH]2)COCC3)CCOCC1 ZINC001606072020 973220810 /nfs/dbraw/zinc/22/08/10/973220810.db2.gz VSJMAMLOCREHPV-UHFFFAOYSA-N -2 0 351.359 0.143 20 0 FCADRL O=C([O-])CN1CCC[C@H](C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)C1=O ZINC001606253419 973575045 /nfs/dbraw/zinc/57/50/45/973575045.db2.gz QVEONRADDJIXJX-LLVKDONJSA-N -2 0 360.326 0.292 20 0 FCADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)n1 ZINC001603976642 974476003 /nfs/dbraw/zinc/47/60/03/974476003.db2.gz SHGNDESNKZOJMB-UHFFFAOYSA-N -2 0 372.381 0.509 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001591861899 976158379 /nfs/dbraw/zinc/15/83/79/976158379.db2.gz FSVDXGPDLZBCLP-AEJSXWLSSA-N -2 0 354.325 0.543 20 0 FCADRL CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001591889870 976257403 /nfs/dbraw/zinc/25/74/03/976257403.db2.gz KGVCSROQYWOGQO-ZDUSSCGKSA-N -2 0 372.399 0.468 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCN2Cc2ccccc2)on1 ZINC000716155814 977807015 /nfs/dbraw/zinc/80/70/15/977807015.db2.gz FVEJGVBIEMAOJW-LBPRGKRZSA-N -2 0 351.384 0.926 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cc(Br)no2)on1 ZINC000718883745 977981338 /nfs/dbraw/zinc/98/13/38/977981338.db2.gz RWQXQYBYBQSJLP-UHFFFAOYSA-N -2 0 352.122 0.602 20 0 FCADRL C[C@@H](C[C@@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1)C(=O)[O-] ZINC001592464336 978196830 /nfs/dbraw/zinc/19/68/30/978196830.db2.gz PAVPTAORXVYMQH-QWRGUYRKSA-N -2 0 359.404 0.479 20 0 FCADRL C[C@@](CCF)(NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC001592495633 978292932 /nfs/dbraw/zinc/29/29/32/978292932.db2.gz OCHAEBIWRWGRLO-ZDUSSCGKSA-N -2 0 368.333 0.562 20 0 FCADRL C[C@](CO)(NC(=O)c1cccc(I)c1[O-])C(=O)[O-] ZINC001592744520 979288507 /nfs/dbraw/zinc/28/85/07/979288507.db2.gz MFPWPWIVBWNCNY-LLVKDONJSA-N -2 0 365.123 0.562 20 0 FCADRL C[C@H](CO[N-]C(=O)CN1CCC[C@H](C(=O)[O-])C1=O)NC(=O)OC(C)(C)C ZINC001592780938 979413064 /nfs/dbraw/zinc/41/30/64/979413064.db2.gz QASIDGQKJARYBH-MNOVXSKESA-N -2 0 373.406 0.271 20 0 FCADRL C[C@H](CS(=O)(=O)N1C[C@@H](c2ccccc2)[C@](F)(C(=O)[O-])C1)C(=O)[O-] ZINC001592790196 979438369 /nfs/dbraw/zinc/43/83/69/979438369.db2.gz XHNHBZSHCQQLEI-GMXABZIVSA-N -2 0 359.375 0.929 20 0 FCADRL C[C@H](CS(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])C(=O)[O-] ZINC001592815887 979512321 /nfs/dbraw/zinc/51/23/21/979512321.db2.gz LJBCYBWYFYPGIM-NOZJJQNGSA-N -2 0 354.384 0.804 20 0 FCADRL CC[C@@H](CS(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1C(=O)[O-])OC ZINC001595203955 979970129 /nfs/dbraw/zinc/97/01/29/979970129.db2.gz YHPHWLPXXIWPJM-VIFPVBQESA-N -2 0 365.429 0.955 20 0 FCADRL C[C@H](NC(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001592979449 980146488 /nfs/dbraw/zinc/14/64/88/980146488.db2.gz JBQMYDHXDAGWKW-PDEGPIFNSA-N -2 0 352.387 0.528 20 0 FCADRL C[C@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001592989594 980174465 /nfs/dbraw/zinc/17/44/65/980174465.db2.gz IVLSEYJWUCIBEW-VIFPVBQESA-N -2 0 356.400 0.741 20 0 FCADRL C[C@H](NC(=O)CSc1n[nH]c(=O)[n-]1)c1ccc(OCC(=O)[O-])cc1 ZINC001593035908 980310424 /nfs/dbraw/zinc/31/04/24/980310424.db2.gz AKOUMKQUNLEHTR-QMMMGPOBSA-N -2 0 352.372 0.943 20 0 FCADRL CC[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cc(C(=O)[O-])no2)C1=O ZINC001595397722 980967030 /nfs/dbraw/zinc/96/70/30/980967030.db2.gz VWCHKBJFFRELLU-MRXNPFEDSA-N -2 0 358.310 0.875 20 0 FCADRL CCC[C@H](O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C)C(=O)[O-] ZINC001595607040 981597481 /nfs/dbraw/zinc/59/74/81/981597481.db2.gz CRTVIOKNLDWDEU-CMPLNLGQSA-N -2 0 363.363 0.725 20 0 FCADRL CCC[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-])C(=O)[O-] ZINC001595607450 981601174 /nfs/dbraw/zinc/60/11/74/981601174.db2.gz FWJVSLPOYZJPSW-MWLCHTKSSA-N -2 0 365.791 0.931 20 0 FCADRL CCC[C@H](O)[C@@H](NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-])C(=O)[O-] ZINC001595607680 981602920 /nfs/dbraw/zinc/60/29/20/981602920.db2.gz GJWAAHYJPFVDNW-GXSJLCMTSA-N -2 0 365.791 0.931 20 0 FCADRL CCN(CC)C(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cc1 ZINC001596250296 983654514 /nfs/dbraw/zinc/65/45/14/983654514.db2.gz VBRHNBXSZTVHHS-UHFFFAOYSA-N -2 0 356.400 0.703 20 0 FCADRL CCN(CCC(=O)[O-])S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC001596318370 983749332 /nfs/dbraw/zinc/74/93/32/983749332.db2.gz FGAIUQGBTBUYRJ-UHFFFAOYSA-N -2 0 359.356 0.641 20 0 FCADRL C[C@H](O)[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(=O)[O-] ZINC001599904617 984906586 /nfs/dbraw/zinc/90/65/86/984906586.db2.gz DIZXBLOJMGWQQO-IGJIYHIXSA-N -2 0 355.727 0.290 20 0 FCADRL C[C@H](O)[C@@H](NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-])C(=O)[O-] ZINC001599905094 984911883 /nfs/dbraw/zinc/91/18/83/984911883.db2.gz RAINOYLYOMTSKW-IMTBSYHQSA-N -2 0 359.381 0.712 20 0 FCADRL CC(=O)[C@H]1CC(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])=NN1c1ccccc1 ZINC001589026661 985044510 /nfs/dbraw/zinc/04/45/10/985044510.db2.gz IVNRJCVSASQNRM-CYBMUJFWSA-N -2 0 367.383 0.131 20 0 FCADRL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c[nH]1 ZINC001596750302 985097153 /nfs/dbraw/zinc/09/71/53/985097153.db2.gz SNNYHFCGKKCRGT-UHFFFAOYSA-N -2 0 369.355 0.851 20 0 FCADRL CC(=O)NCCN(CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)[C@@H](C)C(=O)[O-] ZINC001589140016 985449628 /nfs/dbraw/zinc/44/96/28/985449628.db2.gz SLUZSRRBRMICLR-JTQLQIEISA-N -2 0 353.375 0.424 20 0 FCADRL CC(=O)NCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)s1 ZINC001589150488 985472152 /nfs/dbraw/zinc/47/21/52/985472152.db2.gz SXFLSVKFHHSNKR-UHFFFAOYSA-N -2 0 358.401 0.617 20 0 FCADRL CC(=O)Nc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])ccc1F ZINC001589170182 985522176 /nfs/dbraw/zinc/52/21/76/985522176.db2.gz FDWLZLBHYCGPDR-YUMQZZPRSA-N -2 0 360.363 0.953 20 0 FCADRL CC(=O)Nc1ncc(S(=O)(=O)[N-]c2cnn(C(C)(C)C(=O)[O-])c2)s1 ZINC001589225562 985757111 /nfs/dbraw/zinc/75/71/11/985757111.db2.gz WFXHRQNZLZYXIE-UHFFFAOYSA-N -2 0 373.416 0.919 20 0 FCADRL C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001589350108 986307445 /nfs/dbraw/zinc/30/74/45/986307445.db2.gz OBOVJOFRLSUNIM-ZYHUDNBSSA-N -2 0 351.407 0.401 20 0 FCADRL CCOc1cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)ccc1OCC(=O)[O-] ZINC001596999692 986309067 /nfs/dbraw/zinc/30/90/67/986309067.db2.gz CJBJWWMVFNNXEP-INIZCTEOSA-N -2 0 353.327 0.522 20 0 FCADRL C[C@@H](C(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1)c1ccnn1C ZINC001589424704 986695969 /nfs/dbraw/zinc/69/59/69/986695969.db2.gz ZXVRVSMTCMYRQS-SECBINFHSA-N -2 0 352.372 0.695 20 0 FCADRL C[C@@H]1OC[C@]2(CC[C@@H](C[N-]S(=O)(=O)c3cc(C(=O)[O-])no3)O2)[C@H]1C ZINC001594640215 986784891 /nfs/dbraw/zinc/78/48/91/986784891.db2.gz MVPINSMFNHOSSP-RUMNANIHSA-N -2 0 360.388 0.624 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1COc2ccc(F)cc2C1 ZINC001589450240 986837891 /nfs/dbraw/zinc/83/78/91/986837891.db2.gz BZOKESNWGXXFSX-IQJOONFLSA-N -2 0 359.375 0.932 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C(=O)NC2CC2)c1 ZINC001589454340 986876347 /nfs/dbraw/zinc/87/63/47/986876347.db2.gz NSEHQDIIGCQPOJ-ZJUUUORDSA-N -2 0 368.411 0.748 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ncn(-c2ccccc2)n1 ZINC001589455035 986888709 /nfs/dbraw/zinc/88/87/09/986888709.db2.gz UTYJDWQVGZJEOH-VHSXEESVSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)cc1 ZINC001589455164 986891468 /nfs/dbraw/zinc/89/14/68/986891468.db2.gz VPLBYZXUIOXSME-VXGBXAGGSA-N -2 0 370.427 0.692 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1csc(-c2cnn(C)c2)n1 ZINC001589455243 986892407 /nfs/dbraw/zinc/89/24/07/986892407.db2.gz WPRSCIYJXLCHGG-SFYZADRCSA-N -2 0 372.428 0.712 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1csc(S(C)(=O)=O)c1 ZINC001589455337 986895774 /nfs/dbraw/zinc/89/57/74/986895774.db2.gz YIIZYHZNIOIWEL-BQBZGAKWSA-N -2 0 369.442 0.320 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)COc1ccc2ccc(=O)oc2c1 ZINC001589491022 987056808 /nfs/dbraw/zinc/05/68/08/987056808.db2.gz GXMDIBPRAGXURJ-MRVPVSSYSA-N -2 0 355.324 0.091 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001589491111 987057424 /nfs/dbraw/zinc/05/74/24/987057424.db2.gz HOQMIDHIRSJRDE-AXTSPUMRSA-N -2 0 362.404 0.018 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccccc1N(C)C(=O)C1CC1 ZINC001589491854 987060666 /nfs/dbraw/zinc/06/06/66/987060666.db2.gz ORRAWHQMZUKQIP-VIFPVBQESA-N -2 0 354.384 0.592 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001589492034 987061741 /nfs/dbraw/zinc/06/17/41/987061741.db2.gz QDBSPWSLJVAVQN-NXEZZACHSA-N -2 0 364.420 0.695 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccnc(OCC(F)(F)F)c1 ZINC001589492590 987064093 /nfs/dbraw/zinc/06/40/93/987064093.db2.gz VALWSGCLTKVXCU-LURJTMIESA-N -2 0 356.278 0.555 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001589492649 987064862 /nfs/dbraw/zinc/06/48/62/987064862.db2.gz XDEJYGVYFNEMAQ-IUCAKERBSA-N -2 0 350.393 0.305 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC001589495255 987074010 /nfs/dbraw/zinc/07/40/10/987074010.db2.gz ODADQKSKGBABDU-KXUCPTDWSA-N -2 0 364.420 0.599 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1(NC(=O)OCc2ccccc2)CC1 ZINC001589496175 987076924 /nfs/dbraw/zinc/07/69/24/987076924.db2.gz VEFWCHTURGTEOL-SNVBAGLBSA-N -2 0 370.383 0.365 20 0 FCADRL CCS(=O)(=O)CCNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001597214088 987135716 /nfs/dbraw/zinc/13/57/16/987135716.db2.gz PBZAHGSJWXSNMA-UHFFFAOYSA-N -2 0 373.811 0.890 20 0 FCADRL CC(C)(C(=O)[O-])[C@@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001589588754 987386268 /nfs/dbraw/zinc/38/62/68/987386268.db2.gz HYQVDPISPKCHJB-STQMWFEESA-N -2 0 362.382 0.888 20 0 FCADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)n1 ZINC001589670802 987665010 /nfs/dbraw/zinc/66/50/10/987665010.db2.gz FSUCOBCLQJTZDQ-UHFFFAOYSA-N -2 0 374.353 0.907 20 0 FCADRL CSCC[C@@H](NS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1)C(=O)[O-] ZINC001599794589 988073882 /nfs/dbraw/zinc/07/38/82/988073882.db2.gz QAGDOCNEDGBJFH-LLVKDONJSA-N -2 0 365.404 0.937 20 0 FCADRL CSc1nc(C)c(CCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c(=O)[nH]1 ZINC001599827718 988623535 /nfs/dbraw/zinc/62/35/35/988623535.db2.gz JKIWGLFOLXNQQR-SSDOTTSWSA-N -2 0 363.417 0.064 20 0 FCADRL CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001589919368 988646103 /nfs/dbraw/zinc/64/61/03/988646103.db2.gz ABIGQIHWAGYGEP-VIFPVBQESA-N -2 0 350.393 0.163 20 0 FCADRL C[C@@H](NS(=O)(=O)c1cc(Br)ccc1C(=O)[O-])C(=O)[O-] ZINC001599842268 988863996 /nfs/dbraw/zinc/86/39/96/988863996.db2.gz DYFRPDQSPXUHPT-RXMQYKEDSA-N -2 0 352.162 0.899 20 0 FCADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CC(=O)N(C)C)n1 ZINC001597790769 989315540 /nfs/dbraw/zinc/31/55/40/989315540.db2.gz ILGKQARKCLKDFV-UHFFFAOYSA-N -2 0 370.387 0.626 20 0 FCADRL CC(C)(C)OC(=O)NC/C=C\C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001590177577 989516148 /nfs/dbraw/zinc/51/61/48/989516148.db2.gz JSAZNZKOOCGEQL-PLNGDYQASA-N -2 0 361.376 0.732 20 0 FCADRL CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)C1(C)CC1 ZINC001590246555 989635580 /nfs/dbraw/zinc/63/55/80/989635580.db2.gz LBUVHEJUDIQAOE-QMMMGPOBSA-N -2 0 350.393 0.353 20 0 FCADRL CC(C)(C)OCCCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001590383186 989903053 /nfs/dbraw/zinc/90/30/53/989903053.db2.gz ZWQKTWDYNZXBEO-UHFFFAOYSA-N -2 0 350.437 0.739 20 0 FCADRL CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@@]1(CC(=O)[O-])CCCOC1 ZINC001590429461 989981384 /nfs/dbraw/zinc/98/13/84/989981384.db2.gz JTZGHTFQBGVGGE-XUSGNXJCSA-N -2 0 356.466 0.741 20 0 FCADRL CN(C)C(=O)Cc1ccc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])cc1 ZINC001598134363 990580105 /nfs/dbraw/zinc/58/01/05/990580105.db2.gz PNTUAFRRCYBNIK-UHFFFAOYSA-N -2 0 351.359 0.168 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(=O)[O-] ZINC001590798115 990619178 /nfs/dbraw/zinc/61/91/78/990619178.db2.gz LHOMLHTUDHENFM-NSHDSACASA-N -2 0 355.368 0.325 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1ccccc1SCC(N)=O)C(=O)[O-] ZINC001590798818 990624813 /nfs/dbraw/zinc/62/48/13/990624813.db2.gz FHPUDJSIYDLUDT-UHFFFAOYSA-N -2 0 374.440 0.434 20 0 FCADRL CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])co1 ZINC001598163314 990668261 /nfs/dbraw/zinc/66/82/61/990668261.db2.gz UCVLBUHEQCXVPM-UHFFFAOYSA-N -2 0 367.339 0.193 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)Nc2nn(C)cc2C(=O)[O-])c1 ZINC001598276950 991157156 /nfs/dbraw/zinc/15/71/56/991157156.db2.gz JTUKUUBKNFFWCW-UHFFFAOYSA-N -2 0 368.371 0.327 20 0 FCADRL CN(C)[S@@](C)(=O)=NS(=O)(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC001598284048 991178751 /nfs/dbraw/zinc/17/87/51/991178751.db2.gz WXMNOMWOZKFRHP-MGUXCZDKSA-N -2 0 371.387 0.499 20 0 FCADRL COc1ccccc1[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC001599700603 991212956 /nfs/dbraw/zinc/21/29/56/991212956.db2.gz WWCYTOAWMBZFSD-CYBMUJFWSA-N -2 0 372.399 0.452 20 0 FCADRL COc1ccccc1CNC(=O)CS(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001599712145 991389043 /nfs/dbraw/zinc/38/90/43/991389043.db2.gz WGHGURAHOSGGOX-UHFFFAOYSA-N -2 0 353.356 0.207 20 0 FCADRL CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001591111013 991764030 /nfs/dbraw/zinc/76/40/30/991764030.db2.gz CEJMNRNTCAKZSP-UHFFFAOYSA-N -2 0 371.415 0.710 20 0 FCADRL CC(C)C[C@H](NC(=O)Cn1[n-]c(=O)c(Cl)c(Cl)c1=O)C(=O)[O-] ZINC001591178148 991974346 /nfs/dbraw/zinc/97/43/46/991974346.db2.gz NPVQGUBUBCBSCC-LURJTMIESA-N -2 0 352.174 0.871 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001599760310 992111698 /nfs/dbraw/zinc/11/16/98/992111698.db2.gz KRIRXHWYQQEYKE-SCZZXKLOSA-N -2 0 360.363 0.105 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N(CC(=O)[O-])Cc1ccc(Cl)s1 ZINC001598480304 992137956 /nfs/dbraw/zinc/13/79/56/992137956.db2.gz LLNRCQIBTBSZRB-UHFFFAOYSA-N -2 0 370.836 0.939 20 0 FCADRL C[S@](=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC001599778731 992338522 /nfs/dbraw/zinc/33/85/22/992338522.db2.gz QMBUMJJOVNYWKH-QHCPKHFHSA-N -2 0 374.440 0.195 20 0 FCADRL CC(C)N(CC(=O)[O-])S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC001591571080 992774800 /nfs/dbraw/zinc/77/48/00/992774800.db2.gz VTAWVTLFXYYBTG-UHFFFAOYSA-N -2 0 359.356 0.640 20 0 FCADRL CC(C)N(CCC(=O)[N-]S(=O)(=O)CC(=O)[O-])C(=O)OC(C)(C)C ZINC001591576028 992788926 /nfs/dbraw/zinc/78/89/26/992788926.db2.gz XJZLJSBRQFDCDH-UHFFFAOYSA-N -2 0 352.409 0.553 20 0 FCADRL CN1C(=O)Cc2cc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)ccc21 ZINC001598552221 993017465 /nfs/dbraw/zinc/01/74/65/993017465.db2.gz TZIHFVMDULTKHD-UHFFFAOYSA-N -2 0 350.356 0.287 20 0 FCADRL CN1C(=O)c2ccccc2[C@@H]1CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001598556813 993065245 /nfs/dbraw/zinc/06/52/45/993065245.db2.gz SPISWMCACCTQQC-NSHDSACASA-N -2 0 350.356 0.213 20 0 FCADRL COc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c(C(=O)[O-])c1 ZINC001599586163 993616390 /nfs/dbraw/zinc/61/63/90/993616390.db2.gz NNZHJTHEJSCHPJ-BXKDBHETSA-N -2 0 364.354 0.901 20 0 FCADRL COc1ccc(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)c(OC)c1C(=O)[O-] ZINC001599609855 993937121 /nfs/dbraw/zinc/93/71/21/993937121.db2.gz VFVMBOQYXAOOKK-AYVTZFPOSA-N -2 0 371.367 0.497 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)c(CC(=O)[O-])c1 ZINC001599611762 993964385 /nfs/dbraw/zinc/96/43/85/993964385.db2.gz QNJBDAVQUBTSBJ-AMJWSMQMSA-N -2 0 371.411 0.941 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)c(CC(=O)[O-])c1 ZINC001599611976 993967207 /nfs/dbraw/zinc/96/72/07/993967207.db2.gz BIDJUHZTMKWNDM-KOLCDFICSA-N -2 0 355.368 0.630 20 0 FCADRL COc1ccc2[nH]nc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)c2c1 ZINC001599623526 994116804 /nfs/dbraw/zinc/11/68/04/994116804.db2.gz VGVGFRRGXYHVOG-UHFFFAOYSA-N -2 0 351.344 0.653 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cn1 ZINC001598651222 994445429 /nfs/dbraw/zinc/44/54/29/994445429.db2.gz OFTZUCJXZFIYOM-UHFFFAOYSA-N -2 0 356.335 0.267 20 0 FCADRL CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC001598656207 994526449 /nfs/dbraw/zinc/52/64/49/994526449.db2.gz WNXZHYCYAYVAEM-UHFFFAOYSA-N -2 0 374.400 0.647 20 0 FCADRL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC001598659499 994573306 /nfs/dbraw/zinc/57/33/06/994573306.db2.gz NMLFNEMESOITND-HAQNSBGRSA-N -2 0 368.411 0.742 20 0 FCADRL COc1cccc(C[C@H](CNS(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)[O-])c1 ZINC001599667170 994748901 /nfs/dbraw/zinc/74/89/01/994748901.db2.gz XQNFFQKOVFNYAB-GFCCVEGCSA-N -2 0 373.427 0.969 20 0 FCADRL COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001598684533 994985928 /nfs/dbraw/zinc/98/59/28/994985928.db2.gz MTCNAXCMXMAFIF-UHFFFAOYSA-N -2 0 361.416 0.667 20 0 FCADRL COC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)CC1 ZINC001598715993 995408863 /nfs/dbraw/zinc/40/88/63/995408863.db2.gz DDEWOFLJALCKLR-UHFFFAOYSA-N -2 0 359.331 0.211 20 0 FCADRL COC(=O)[C@H]1CN(C(=O)c2nn(-c3ccccc3)cc2[O-])C[C@H]1C(=O)[O-] ZINC001598819402 996307202 /nfs/dbraw/zinc/30/72/02/996307202.db2.gz OKHNRVIWLWCPEE-NEPJUHHUSA-N -2 0 359.338 0.524 20 0 FCADRL COC(=O)[C@@H]1CN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC001598824146 996363466 /nfs/dbraw/zinc/36/34/66/996363466.db2.gz ZFDWMBBYCMEJRX-GHMZBOCLSA-N -2 0 370.383 0.004 20 0 FCADRL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CCC(=O)NC1 ZINC001593755059 996401984 /nfs/dbraw/zinc/40/19/84/996401984.db2.gz LJHRIDUAWFNCHR-HNNXBMFYSA-N -2 0 354.384 0.247 20 0 FCADRL C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001593783800 996497963 /nfs/dbraw/zinc/49/79/63/996497963.db2.gz WGSQYQWKXZCAGL-HNNXBMFYSA-N -2 0 356.281 0.925 20 0 FCADRL COC(=O)C[C@@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C(=O)[O-] ZINC001598839109 996510187 /nfs/dbraw/zinc/51/01/87/996510187.db2.gz FPMVGNRVHDSZKH-SNVBAGLBSA-N -2 0 367.745 0.977 20 0 FCADRL COC(=O)CC[C@@H](NS(=O)(=O)Cc1ccccc1C(=O)[O-])C(=O)[O-] ZINC001598857359 996649212 /nfs/dbraw/zinc/64/92/12/996649212.db2.gz KFVLDVZBVMYINH-LLVKDONJSA-N -2 0 359.356 0.211 20 0 FCADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])OC)c1 ZINC001599279597 996873084 /nfs/dbraw/zinc/87/30/84/996873084.db2.gz MVXQGZHRPGIQTO-LLVKDONJSA-N -2 0 361.372 0.299 20 0 FCADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H]2CC=C(C(=O)[O-])C2)c1 ZINC001599282132 996908550 /nfs/dbraw/zinc/90/85/50/996908550.db2.gz RNNANOHIWMLAKH-GFCCVEGCSA-N -2 0 355.368 0.983 20 0 FCADRL CC1(C)CN(S(=O)(=O)CC2(C(=O)[O-])CCCCC2)[C@H](C(=O)[O-])CO1 ZINC001593945093 996985916 /nfs/dbraw/zinc/98/59/16/996985916.db2.gz PQZPVUVYWVJVKT-NSHDSACASA-N -2 0 363.432 0.915 20 0 FCADRL CC1(C)CN(S(=O)(=O)c2ccc(F)cc2C(=O)[O-])[C@H](C(=O)[O-])CO1 ZINC001593946406 996994999 /nfs/dbraw/zinc/99/49/99/996994999.db2.gz DMPFUMMBIYYSSL-JTQLQIEISA-N -2 0 361.347 0.777 20 0 FCADRL COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC001598897248 997105530 /nfs/dbraw/zinc/10/55/30/997105530.db2.gz BUAVUMFYINWYTH-JGVFFNPUSA-N -2 0 361.397 0.841 20 0 FCADRL CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ncn(CC(=O)[O-])n3)c2O1 ZINC001593968957 997124845 /nfs/dbraw/zinc/12/48/45/997124845.db2.gz PNAOJYZIOPZEEJ-UHFFFAOYSA-N -2 0 352.372 0.877 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C(=O)[O-] ZINC001599501559 997131248 /nfs/dbraw/zinc/13/12/48/997131248.db2.gz OCKHDCDQVHBHBZ-MWODSPESSA-N -2 0 373.383 0.645 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC001599502380 997148640 /nfs/dbraw/zinc/14/86/40/997148640.db2.gz GLGUOBVPDYTGRM-ZETCQYMHSA-N -2 0 353.299 0.780 20 0 FCADRL COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC001599196461 997226278 /nfs/dbraw/zinc/22/62/78/997226278.db2.gz ZRZZENKVQHFUNL-AWEZNQCLSA-N -2 0 361.347 0.636 20 0 FCADRL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2c[n-]n3c2nccc3=O)cc1 ZINC001599513482 997334836 /nfs/dbraw/zinc/33/48/36/997334836.db2.gz GVNPUBFWJYGMQZ-CYBMUJFWSA-N -2 0 356.338 0.977 20 0 FCADRL COCn1nc(C)c(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2C)c1C ZINC001599308446 997369053 /nfs/dbraw/zinc/36/90/53/997369053.db2.gz NOGXUQRFVWZOEO-UHFFFAOYSA-N -2 0 357.392 0.494 20 0 FCADRL CO[N-]C(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001599321199 997583866 /nfs/dbraw/zinc/58/38/66/997583866.db2.gz VXGMWQYMZCZKPR-UHFFFAOYSA-N -2 0 356.278 0.360 20 0 FCADRL CO[N-]C(=O)CNS(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001599321171 997584150 /nfs/dbraw/zinc/58/41/50/997584150.db2.gz UQSXWFOEYPOWBQ-UHFFFAOYSA-N -2 0 373.206 0.165 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)c1 ZINC001598922401 997591581 /nfs/dbraw/zinc/59/15/81/997591581.db2.gz PUFMETHXTIPSQD-KCJUWKMLSA-N -2 0 369.351 0.479 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c1 ZINC001598923209 997607541 /nfs/dbraw/zinc/60/75/41/997607541.db2.gz LCIFNBQNGVVJTR-QPUJVOFHSA-N -2 0 371.367 0.655 20 0 FCADRL COc1cc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001599428966 997724808 /nfs/dbraw/zinc/72/48/08/997724808.db2.gz RFSZTWOSORDPEE-MRXNPFEDSA-N -2 0 350.327 0.655 20 0 FCADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)NC[C@](C)(O)C(=O)[O-] ZINC001599330626 997742068 /nfs/dbraw/zinc/74/20/68/997742068.db2.gz XBTMFXRUCNKAEO-LBPRGKRZSA-N -2 0 367.763 0.161 20 0 FCADRL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001594051467 997743949 /nfs/dbraw/zinc/74/39/49/997743949.db2.gz FOQUTMSIUHBUMN-LLVKDONJSA-N -2 0 369.321 0.545 20 0 FCADRL COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC001599232597 997888746 /nfs/dbraw/zinc/88/87/46/997888746.db2.gz OHWSHPROLHQZAC-SSDOTTSWSA-N -2 0 367.326 0.773 20 0 FCADRL COCCN(CC(=O)[O-])S(=O)(=O)c1cc(COC)cc(C(=O)[O-])c1 ZINC001599235053 997930675 /nfs/dbraw/zinc/93/06/75/997930675.db2.gz HKVUGPUDJYUCKM-UHFFFAOYSA-N -2 0 361.372 0.253 20 0 FCADRL CO[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)[C@](C)(C(=O)[O-])C1 ZINC001599136311 998050042 /nfs/dbraw/zinc/05/00/42/998050042.db2.gz DRFCYMYZTNVTPN-CLAHSXSESA-N -2 0 361.347 0.777 20 0 FCADRL CO[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)[C@](C)(C(=O)[O-])C1 ZINC001599136564 998054350 /nfs/dbraw/zinc/05/43/50/998054350.db2.gz KCTNCSQBWZAWMM-XPTSAGLGSA-N -2 0 361.347 0.777 20 0 FCADRL COc1cc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc(OC)c1OC(F)F ZINC001599355245 998168141 /nfs/dbraw/zinc/16/81/41/998168141.db2.gz KSBFBGDUBSVUPM-UHFFFAOYSA-N -2 0 369.298 0.449 20 0 FCADRL COc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)nn1C ZINC001599355375 998170667 /nfs/dbraw/zinc/17/06/67/998170667.db2.gz PZMJHCAAFRZELC-UHFFFAOYSA-N -2 0 373.774 0.899 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])n2)cnc1C ZINC001598955195 998227814 /nfs/dbraw/zinc/22/78/14/998227814.db2.gz KTPHSFNZAWLHHT-UHFFFAOYSA-N -2 0 365.367 1.000 20 0 FCADRL COc1cc(S(=O)(=O)N[C@@H](CCSC)C(=O)[O-])ccc1C(=O)[O-] ZINC001599461311 998278446 /nfs/dbraw/zinc/27/84/46/998278446.db2.gz RZLDAIIAABXHRX-JTQLQIEISA-N -2 0 363.413 0.878 20 0 FCADRL COCCOc1ccnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)n1 ZINC001599261361 998392029 /nfs/dbraw/zinc/39/20/29/998392029.db2.gz IUUXZCKDNXDTKN-UHFFFAOYSA-N -2 0 354.344 0.396 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598969154 998481863 /nfs/dbraw/zinc/48/18/63/998481863.db2.gz ODUSXJYJVZTFRA-AOOOYVTPSA-N -2 0 371.367 0.655 20 0 FCADRL COC(=O)c1ccc(CCC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc1 ZINC001598971414 998521137 /nfs/dbraw/zinc/52/11/37/998521137.db2.gz DRWDFFSZOKYKSW-UHFFFAOYSA-N -2 0 371.411 0.963 20 0 FCADRL COc1ccc(F)cc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001599581977 998547113 /nfs/dbraw/zinc/54/71/13/998547113.db2.gz AMARBJJHYXIYMV-UHFFFAOYSA-N -2 0 360.363 0.606 20 0 FCADRL COC(=O)c1ccc(Cl)cc1NC(=O)C(=O)[N-]OCCCC(=O)[O-] ZINC001598976982 998611215 /nfs/dbraw/zinc/61/12/15/998611215.db2.gz RVXIVEKBJFJVKH-UHFFFAOYSA-N -2 0 358.734 0.978 20 0 FCADRL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)nn1 ZINC001598982997 998675490 /nfs/dbraw/zinc/67/54/90/998675490.db2.gz UDPYBRORPYNGFF-UHFFFAOYSA-N -2 0 367.339 0.527 20 0 FCADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)C1 ZINC001594209753 998812181 /nfs/dbraw/zinc/81/21/81/998812181.db2.gz HPOHWCYFDILCJY-VHSXEESVSA-N -2 0 366.374 0.211 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])[nH]2)c1 ZINC001599000929 998822314 /nfs/dbraw/zinc/82/23/14/998822314.db2.gz PZWDUBRXQYQWHE-UHFFFAOYSA-N -2 0 352.324 0.618 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)C23CC(C(=O)[O-])(C2)C3)c1 ZINC001599001056 998822994 /nfs/dbraw/zinc/82/29/94/998822994.db2.gz XMDYFDKMCMCATA-UHFFFAOYSA-N -2 0 353.352 0.533 20 0 FCADRL C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)[N-]OCCCC(=O)[O-])C2=O ZINC001594221219 998851903 /nfs/dbraw/zinc/85/19/03/998851903.db2.gz MBXLIBFAKUWHEP-QWRGUYRKSA-N -2 0 355.391 0.646 20 0 FCADRL CO[C@@](C)(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)OC(C)(C)C ZINC001599032175 999057987 /nfs/dbraw/zinc/05/79/87/999057987.db2.gz WMVHKAZTGLYOSY-AWEZNQCLSA-N -2 0 367.420 0.290 20 0 FCADRL CO[C@@H](CNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)CC(=O)[O-] ZINC001599056440 999233424 /nfs/dbraw/zinc/23/34/24/999233424.db2.gz XBWAHMNXOZWOJK-SSDOTTSWSA-N -2 0 353.299 0.431 20 0 FCADRL C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C[C@@H]1C(=O)[O-] ZINC001594392071 999478595 /nfs/dbraw/zinc/47/85/95/999478595.db2.gz BIYPFCNWRKMJQC-LPTSXCQYSA-N -2 0 352.387 0.125 20 0 FCADRL C[C@@H]1CCN(C(=O)C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C[C@@H]1C(=O)[O-] ZINC001594393702 999483556 /nfs/dbraw/zinc/48/35/56/999483556.db2.gz PVZALFUICCQRBN-ABAIWWIYSA-N -2 0 374.393 0.839 20 0 FCADRL C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CC[C@H]1C(=O)[O-] ZINC001594454405 999656558 /nfs/dbraw/zinc/65/65/58/999656558.db2.gz NJCGUEIAVQVIJS-SMDDNHRTSA-N -2 0 362.382 0.912 20 0 FCADRL CCOC(=O)c1ccc(CS(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1 ZINC000296927828 214370262 /nfs/dbraw/zinc/37/02/62/214370262.db2.gz LGTZEFCEKFUKQC-UHFFFAOYSA-N -2 0 359.356 0.164 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N(C)CCC(=O)[O-])c1 ZINC000262539705 209606627 /nfs/dbraw/zinc/60/66/27/209606627.db2.gz RDKUGZBZCYRJLV-UHFFFAOYSA-N -2 0 357.388 0.563 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2cccc3nsnc32)CC[C@@H]1C(=O)[O-] ZINC000281168350 212702315 /nfs/dbraw/zinc/70/23/15/212702315.db2.gz BVSWMLJNWDICCB-YUMQZZPRSA-N -2 0 371.396 0.487 20 0 FCADRL CCC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)[N-]c1ncnn1-2)C(=O)[O-] ZINC000262290264 209561811 /nfs/dbraw/zinc/56/18/11/209561811.db2.gz BMLPBVIXFVIQRI-VIFPVBQESA-N -2 0 365.371 0.365 20 0 FCADRL CCOC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000276632616 212267501 /nfs/dbraw/zinc/26/75/01/212267501.db2.gz WKDLCBIBOWGHBN-JTQLQIEISA-N -2 0 359.356 0.378 20 0 FCADRL CCN([C@@H](C(=O)[O-])C(C)C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000275357156 212013526 /nfs/dbraw/zinc/01/35/26/212013526.db2.gz UJIJWJWXBCKABL-SNVBAGLBSA-N -2 0 370.387 0.556 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)C[C@@H]1C(=O)[O-] ZINC000275162379 211974134 /nfs/dbraw/zinc/97/41/34/211974134.db2.gz UFRNGUGLPHKIJL-ZJUUUORDSA-N -2 0 357.340 0.211 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)CCC(=O)OCc1ccccc1)C(=O)[O-] ZINC000275046757 211952502 /nfs/dbraw/zinc/95/25/02/211952502.db2.gz WIPXWDYQYNKHEX-LBPRGKRZSA-N -2 0 373.383 0.215 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC[C@@H]1C(=O)[O-] ZINC000274951011 211936843 /nfs/dbraw/zinc/93/68/43/211936843.db2.gz AJSYRUMCFYEFCN-QWRGUYRKSA-N -2 0 371.367 0.254 20 0 FCADRL C[C@H]1CCCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@H]1C(=O)[O-] ZINC000424374826 247201168 /nfs/dbraw/zinc/20/11/68/247201168.db2.gz ZPTXUYKWAKZJOU-OIBJUYFYSA-N -2 0 368.371 0.310 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC000481978292 250373120 /nfs/dbraw/zinc/37/31/20/250373120.db2.gz CRYXYNUSEJSBEB-UHFFFAOYSA-N -2 0 353.356 0.484 20 0 FCADRL O=C([O-])CCC[C@@H](NS(=O)(=O)c1ccc2oc(=O)ccc2c1)C(=O)[O-] ZINC000278627636 488885489 /nfs/dbraw/zinc/88/54/89/488885489.db2.gz HUVXQGYZGGZEKJ-LLVKDONJSA-N -2 0 369.351 0.779 20 0 FCADRL Cc1nc(Cl)ccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000287622383 488888290 /nfs/dbraw/zinc/88/82/90/488888290.db2.gz SPYIODKIOCWHDN-IUCAKERBSA-N -2 0 362.791 0.839 20 0 FCADRL COc1cccc(OC)c1S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000278705284 488891240 /nfs/dbraw/zinc/89/12/40/488891240.db2.gz NPSOMSNJMIIZKP-SECBINFHSA-N -2 0 361.372 0.690 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)nc2)cc1C(=O)[O-] ZINC000320085588 488899286 /nfs/dbraw/zinc/89/92/86/488899286.db2.gz OSMGBGQYKOFNMJ-UHFFFAOYSA-N -2 0 359.385 0.323 20 0 FCADRL CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000287712551 488896959 /nfs/dbraw/zinc/89/69/59/488896959.db2.gz YCJVYBHGLVWPHB-WCBMZHEXSA-N -2 0 368.371 0.310 20 0 FCADRL CC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1 ZINC000325288836 488909458 /nfs/dbraw/zinc/90/94/58/488909458.db2.gz QSVMOUPXXOHOAU-QWHCGFSZSA-N -2 0 355.368 0.685 20 0 FCADRL CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cn1C ZINC000325611935 488911206 /nfs/dbraw/zinc/91/12/06/488911206.db2.gz BQFLWVOTICOMAL-UHFFFAOYSA-N -2 0 353.356 0.589 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2NS(C)(=O)=O)cc1C(=O)[O-] ZINC000324839651 488906949 /nfs/dbraw/zinc/90/69/49/488906949.db2.gz DUFFKWWCWOVUKJ-UHFFFAOYSA-N -2 0 373.412 0.896 20 0 FCADRL CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000325110630 488908955 /nfs/dbraw/zinc/90/89/55/488908955.db2.gz DUOQMBFMTIKJCB-UHFFFAOYSA-N -2 0 373.412 0.432 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cn1 ZINC000326835011 488916550 /nfs/dbraw/zinc/91/65/50/488916550.db2.gz JVFLFPNOACYKKW-UHFFFAOYSA-N -2 0 368.371 0.137 20 0 FCADRL Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000326939009 488917187 /nfs/dbraw/zinc/91/71/87/488917187.db2.gz XCXCTUPWBDXJHM-UHFFFAOYSA-N -2 0 362.371 0.808 20 0 FCADRL COCCCNC(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000064940794 488314745 /nfs/dbraw/zinc/31/47/45/488314745.db2.gz UYRXSRCEAUEHGP-UHFFFAOYSA-N -2 0 359.404 0.531 20 0 FCADRL O=C([O-])CNC(=O)c1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1 ZINC000065280453 488316531 /nfs/dbraw/zinc/31/65/31/488316531.db2.gz KCBZTJDCYCRGAD-UHFFFAOYSA-N -2 0 353.331 0.836 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccccc1Br)C(=O)[O-] ZINC000093091707 488478013 /nfs/dbraw/zinc/47/80/13/488478013.db2.gz LYPJXBBGJWIRFX-SSDOTTSWSA-N -2 0 352.162 0.655 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1cccc(Br)c1)C(=O)[O-] ZINC000093091694 488478054 /nfs/dbraw/zinc/47/80/54/488478054.db2.gz KEHUUUDJFBDYMF-QMMMGPOBSA-N -2 0 352.162 0.655 20 0 FCADRL CC(=O)NCCN(C(=O)c1nn(-c2ccccc2)cc1[O-])[C@H](C)C(=O)[O-] ZINC000262272082 488560399 /nfs/dbraw/zinc/56/03/99/488560399.db2.gz UWVWDWNDPCKXJY-LLVKDONJSA-N -2 0 360.370 0.629 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@H](C)CC(=O)[O-])c1 ZINC000262991298 488602140 /nfs/dbraw/zinc/60/21/40/488602140.db2.gz OJODAXQUPBPVFP-MRVPVSSYSA-N -2 0 357.388 0.610 20 0 FCADRL C[C@@H](CN(C)S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)C(=O)[O-] ZINC000263458110 488612093 /nfs/dbraw/zinc/61/20/93/488612093.db2.gz CQIQJDZRFUQINV-ZETCQYMHSA-N -2 0 359.795 0.861 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c(Cl)c1 ZINC000274899527 488741742 /nfs/dbraw/zinc/74/17/42/488741742.db2.gz HWLXEMXPJMKHLS-MRVPVSSYSA-N -2 0 365.747 0.333 20 0 FCADRL COC(=O)c1ccc(F)cc1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000274940748 488746202 /nfs/dbraw/zinc/74/62/02/488746202.db2.gz GFDHNDDFHHXZIZ-SSDOTTSWSA-N -2 0 363.319 0.066 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)c2cccc3c2OCCO3)C[C@H]1C(=O)[O-] ZINC000274961150 488748704 /nfs/dbraw/zinc/74/87/04/488748704.db2.gz BLHDZBDEDMRIMH-VHSXEESVSA-N -2 0 371.367 0.254 20 0 FCADRL COC(=O)C1(c2ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc2)CC1 ZINC000274967611 488748956 /nfs/dbraw/zinc/74/89/56/488748956.db2.gz VXJYEHGXTRZXLO-LLVKDONJSA-N -2 0 371.367 0.097 20 0 FCADRL COC(=O)c1cc(F)ccc1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-] ZINC000274986023 488750760 /nfs/dbraw/zinc/75/07/60/488750760.db2.gz MCAGZRDCCDNOLC-ZETCQYMHSA-N -2 0 363.319 0.066 20 0 FCADRL COC(=O)c1cc(C)ccc1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000275010349 488753095 /nfs/dbraw/zinc/75/30/95/488753095.db2.gz PTXINSUQOWOBFV-SECBINFHSA-N -2 0 359.356 0.235 20 0 FCADRL COC(=O)c1ccccc1CS(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000275009102 488753221 /nfs/dbraw/zinc/75/32/21/488753221.db2.gz PMDPCDIPJNIJJE-SNVBAGLBSA-N -2 0 359.356 0.068 20 0 FCADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)CCS(C)(=O)=O ZINC000275040249 488755844 /nfs/dbraw/zinc/75/58/44/488755844.db2.gz RCEOMUSMVDZFLA-UHFFFAOYSA-N -2 0 365.429 0.499 20 0 FCADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000275054797 488757064 /nfs/dbraw/zinc/75/70/64/488757064.db2.gz XUZLMZOKQIBEJS-SECBINFHSA-N -2 0 363.775 0.996 20 0 FCADRL CCn1nc(C)c(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)c1C ZINC000275080579 488759378 /nfs/dbraw/zinc/75/93/78/488759378.db2.gz IOQROKISSSNRCK-CQSZACIVSA-N -2 0 359.404 0.460 20 0 FCADRL Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cnc1Cl ZINC000275103822 488761813 /nfs/dbraw/zinc/76/18/13/488761813.db2.gz LZLSLFIWWOCNAT-ZJUUUORDSA-N -2 0 362.791 0.839 20 0 FCADRL O=C([O-])[C@@H](CCO)[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000275103677 488761860 /nfs/dbraw/zinc/76/18/60/488761860.db2.gz QWDSXCRJTNLWNG-MRVPVSSYSA-N -2 0 374.159 0.841 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000275133330 488764579 /nfs/dbraw/zinc/76/45/79/488764579.db2.gz IXUOIFYQQSROLI-LBPRGKRZSA-N -2 0 367.330 0.088 20 0 FCADRL Cc1cc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cnc1Cl ZINC000275175387 488769136 /nfs/dbraw/zinc/76/91/36/488769136.db2.gz WAGAVUGIUBMBOD-CYBMUJFWSA-N -2 0 362.791 0.984 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000166508075 488811786 /nfs/dbraw/zinc/81/17/86/488811786.db2.gz NBDFJNSBCOFMOR-ZETCQYMHSA-N -2 0 353.150 0.050 20 0 FCADRL CCC[C@H](NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)c1nnn[n-]1 ZINC000281931243 489118037 /nfs/dbraw/zinc/11/80/37/489118037.db2.gz KJHYCRLOAPFALD-NSHDSACASA-N -2 0 359.415 0.856 20 0 FCADRL CCC[C@@H](NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)c1nnn[n-]1 ZINC000281931238 489118075 /nfs/dbraw/zinc/11/80/75/489118075.db2.gz KJHYCRLOAPFALD-LLVKDONJSA-N -2 0 359.415 0.856 20 0 FCADRL Cc1c(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c2ccccc2n1C ZINC000570401055 491238368 /nfs/dbraw/zinc/23/83/68/491238368.db2.gz FOTOHUHXNBEJLD-SNVBAGLBSA-N -2 0 354.384 0.941 20 0 FCADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000489385076 489709578 /nfs/dbraw/zinc/70/95/78/489709578.db2.gz JLTJGGZIUULEIT-UHFFFAOYSA-N -2 0 366.399 0.734 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000489753336 489726995 /nfs/dbraw/zinc/72/69/95/489726995.db2.gz MNRVEHISJLFKPH-UHFFFAOYSA-N -2 0 356.335 0.397 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1C(N)=O ZINC000474392925 489760343 /nfs/dbraw/zinc/76/03/43/489760343.db2.gz VBNJSTRKKOAJED-UHFFFAOYSA-N -2 0 365.367 0.617 20 0 FCADRL CC(=O)N(C)c1ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC000563927772 491277874 /nfs/dbraw/zinc/27/78/74/491277874.db2.gz BPTQBYONUZFYPZ-HNNXBMFYSA-N -2 0 372.399 0.513 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cnn(CC(=O)N(C)C)c1 ZINC000477414122 489963395 /nfs/dbraw/zinc/96/33/95/489963395.db2.gz FEOSTEHPMCKKQR-UHFFFAOYSA-N -2 0 366.399 0.779 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2nn[n-]c2=O)cc1 ZINC000477528279 489971366 /nfs/dbraw/zinc/97/13/66/489971366.db2.gz RKEBBEYIBOQWQV-UHFFFAOYSA-N -3 0 365.327 0.768 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)ccc1C(=O)[O-] ZINC000506663972 490120822 /nfs/dbraw/zinc/12/08/22/490120822.db2.gz UARZLEYRTFJTHS-UHFFFAOYSA-N -2 0 352.372 0.566 20 0 FCADRL CN(C)S(=O)(=O)c1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000391784249 490144247 /nfs/dbraw/zinc/14/42/47/490144247.db2.gz VFGOKHONIJKOLF-UHFFFAOYSA-N -2 0 373.412 0.764 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc2c1OCCO2 ZINC000507026034 490162548 /nfs/dbraw/zinc/16/25/48/490162548.db2.gz LLJYOOWCTZBHDZ-VIFPVBQESA-N -2 0 371.367 0.641 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(N)=O)CC3)cc1C(=O)[O-] ZINC000447261909 490210690 /nfs/dbraw/zinc/21/06/90/490210690.db2.gz BGENCQYZGLNUGG-UHFFFAOYSA-N -2 0 364.383 0.965 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CCO)cc2)c[nH]1 ZINC000547499476 490305902 /nfs/dbraw/zinc/30/59/02/490305902.db2.gz SHWWCDFTOMYRIV-UHFFFAOYSA-N -2 0 374.396 0.280 20 0 FCADRL CC[C@H](C)[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000534064108 490314557 /nfs/dbraw/zinc/31/45/57/490314557.db2.gz JOVVEZINHGFBAE-RCOVLWMOSA-N -2 0 356.360 0.214 20 0 FCADRL CCC(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC000547609960 490329952 /nfs/dbraw/zinc/32/99/52/490329952.db2.gz SPNBNIIDIIARNR-OAHLLOKOSA-N -2 0 372.399 0.879 20 0 FCADRL CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000508453645 490331949 /nfs/dbraw/zinc/33/19/49/490331949.db2.gz GYINKHVIBOEPHN-UHFFFAOYSA-N -2 0 359.385 0.885 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cn1 ZINC000467751448 490337042 /nfs/dbraw/zinc/33/70/42/490337042.db2.gz BCPXQUMAVWFAMN-UHFFFAOYSA-N -2 0 355.328 0.261 20 0 FCADRL Cc1ccn(C)c(=O)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000467935353 490349727 /nfs/dbraw/zinc/34/97/27/490349727.db2.gz MJNFWFWFTBKDDV-UHFFFAOYSA-N -2 0 366.351 0.891 20 0 FCADRL C[C@@](CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)(CC(=O)[O-])C(=O)[O-] ZINC000547931959 490390983 /nfs/dbraw/zinc/39/09/83/490390983.db2.gz PMIUJPMNOGRNRB-ZDUSSCGKSA-N -2 0 357.344 0.112 20 0 FCADRL C[C@](CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)(CC(=O)[O-])C(=O)[O-] ZINC000547931958 490391384 /nfs/dbraw/zinc/39/13/84/490391384.db2.gz PMIUJPMNOGRNRB-CYBMUJFWSA-N -2 0 357.344 0.112 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])s1 ZINC000547938117 490392646 /nfs/dbraw/zinc/39/26/46/490392646.db2.gz VCQGIMBVKUQSCX-GFCCVEGCSA-N -2 0 365.385 0.379 20 0 FCADRL CCn1nc(C)c(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1C ZINC000548244106 490448058 /nfs/dbraw/zinc/44/80/58/490448058.db2.gz HCTZEWOLCALPLE-WDEREUQCSA-N -2 0 359.404 0.316 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)Cc2c(F)cccc2F)C[C@H]1C(=O)[O-] ZINC000548253659 490450347 /nfs/dbraw/zinc/45/03/47/490450347.db2.gz POPOAVYZZXNPFP-DTWKUNHWSA-N -2 0 363.338 0.902 20 0 FCADRL C[C@@](CNS(=O)(=O)Cc1c(F)cccc1F)(CC(=O)[O-])C(=O)[O-] ZINC000548264962 490454380 /nfs/dbraw/zinc/45/43/80/490454380.db2.gz YRGGCFHBLFGQNM-ZDUSSCGKSA-N -2 0 351.327 0.950 20 0 FCADRL COCc1ccccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000548573166 490508559 /nfs/dbraw/zinc/50/85/59/490508559.db2.gz GAWRZLCKUZTMQS-NWDGAFQWSA-N -2 0 357.384 0.629 20 0 FCADRL COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000548594928 490514296 /nfs/dbraw/zinc/51/42/96/490514296.db2.gz UCPHAHGXSTZRCJ-RULNRJAQSA-N -2 0 365.404 0.203 20 0 FCADRL C[C@@](CNS(=O)(=O)c1cc(F)c(F)c(F)c1)(CC(=O)[O-])C(=O)[O-] ZINC000548594318 490514996 /nfs/dbraw/zinc/51/49/96/490514996.db2.gz DZXCHHDHULOJQD-LBPRGKRZSA-N -2 0 355.290 0.948 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc3c2OCO3)C1 ZINC000549017343 490560297 /nfs/dbraw/zinc/56/02/97/490560297.db2.gz LVQSQNLWODPAOH-CQSZACIVSA-N -2 0 357.340 0.355 20 0 FCADRL Cc1cc(C(=O)Nc2cccnc2-n2cncn2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000524815621 490563630 /nfs/dbraw/zinc/56/36/30/490563630.db2.gz IYTKKQLHLSHWAP-UHFFFAOYSA-N -2 0 364.325 0.972 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c1C(=O)[O-] ZINC000536989289 490632888 /nfs/dbraw/zinc/63/28/88/490632888.db2.gz GZAKGGCSLHREKG-UHFFFAOYSA-N -2 0 350.356 0.438 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)c1C(=O)[O-] ZINC000538094251 490709968 /nfs/dbraw/zinc/70/99/68/490709968.db2.gz STTHVEHXLMRLNG-UHFFFAOYSA-N -2 0 363.359 0.110 20 0 FCADRL O=C([O-])CNC(=O)CC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000565056819 491348873 /nfs/dbraw/zinc/34/88/73/491348873.db2.gz UTTOELKJEQZRBE-UHFFFAOYSA-N -2 0 356.734 0.487 20 0 FCADRL CC(=O)Nc1ncc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])s1 ZINC000565056633 491348910 /nfs/dbraw/zinc/34/89/10/491348910.db2.gz RTOGEYKWFUINBA-SSDOTTSWSA-N -2 0 365.389 0.088 20 0 FCADRL COCCOc1ccc(F)cc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-] ZINC000527301207 490716037 /nfs/dbraw/zinc/71/60/37/490716037.db2.gz RYKPMTUDEVQJRS-SECBINFHSA-N -2 0 365.335 0.057 20 0 FCADRL COc1ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c(OC)c1 ZINC000516850822 490880743 /nfs/dbraw/zinc/88/07/43/490880743.db2.gz NOSAULSZSFIHIQ-AWEZNQCLSA-N -2 0 361.372 0.548 20 0 FCADRL CNC(=O)c1ccc(CS(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC000565426685 491375768 /nfs/dbraw/zinc/37/57/68/491375768.db2.gz IIUKLYDUPYXVNE-HNNXBMFYSA-N -2 0 372.399 0.031 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1cccc2c1OC(F)(F)O2)C(=O)[O-] ZINC000567332958 491499942 /nfs/dbraw/zinc/49/99/42/491499942.db2.gz RXXNWPXOCOZEOW-LURJTMIESA-N -2 0 367.282 0.604 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000574662745 491511949 /nfs/dbraw/zinc/51/19/49/491511949.db2.gz SUVPJOSZWWOACY-ZOBORPQBSA-N -2 0 353.396 0.980 20 0 FCADRL CC1(C)CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@@H]1C(=O)[O-] ZINC000560889237 491562732 /nfs/dbraw/zinc/56/27/32/491562732.db2.gz WJYWIXIUTZVQLD-SECBINFHSA-N -2 0 368.371 0.310 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000580429676 491730786 /nfs/dbraw/zinc/73/07/86/491730786.db2.gz FIZPSGKTRLPEDV-ZCFIWIBFSA-N -2 0 357.262 0.633 20 0 FCADRL COC(=O)c1oc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc1C ZINC000596035135 491972768 /nfs/dbraw/zinc/97/27/68/491972768.db2.gz NMIJAIUHEIHHHB-ZDUSSCGKSA-N -2 0 363.344 0.219 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1OC ZINC000619620531 492272476 /nfs/dbraw/zinc/27/24/76/492272476.db2.gz WKGBMAFFRCMBLO-UHFFFAOYSA-N -2 0 369.355 0.714 20 0 FCADRL CC[C@H](NC(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C)c1)C(=O)[O-] ZINC000647768521 492357831 /nfs/dbraw/zinc/35/78/31/492357831.db2.gz CTIMQVZETNEAIE-VIFPVBQESA-N -2 0 372.428 0.875 20 0 FCADRL O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000622609616 492480157 /nfs/dbraw/zinc/48/01/57/492480157.db2.gz CYFBYMCQTAAFPT-LLVKDONJSA-N -2 0 364.325 0.469 20 0 FCADRL COc1cccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)c1F ZINC000656159636 492558572 /nfs/dbraw/zinc/55/85/72/492558572.db2.gz ZPCVIARAIMGYGJ-CQSZACIVSA-N -2 0 361.347 0.774 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCc2ccccc2F)C1 ZINC000656513788 492627474 /nfs/dbraw/zinc/62/74/74/492627474.db2.gz BKKFZFXJYCUGOT-HNNXBMFYSA-N -2 0 359.375 0.949 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)CCc2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC000656514875 492628212 /nfs/dbraw/zinc/62/82/12/492628212.db2.gz YQOGSHPUCUCPOF-CHWSQXEVSA-N -2 0 359.375 0.805 20 0 FCADRL Cn1nncc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC000650389165 492637029 /nfs/dbraw/zinc/63/70/29/492637029.db2.gz ZAYVILUULNFQNH-UHFFFAOYSA-N -2 0 367.387 0.151 20 0 FCADRL COc1ncc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1Cl ZINC000650392917 492637785 /nfs/dbraw/zinc/63/77/85/492637785.db2.gz QEMPRANYRVVYPO-MRVPVSSYSA-N -2 0 352.752 0.340 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1cnc2onc(C3CC3)c2c1)C(=O)[O-] ZINC000650392793 492637911 /nfs/dbraw/zinc/63/79/11/492637911.db2.gz GQJJCBLDXGJVTO-SNVBAGLBSA-N -2 0 369.355 0.697 20 0 FCADRL C[C@](CNS(=O)(=O)CCc1ccc2c(c1)CCO2)(CC(=O)[O-])C(=O)[O-] ZINC000650410732 492638523 /nfs/dbraw/zinc/63/85/23/492638523.db2.gz WSMPLLINKQYJKZ-MRXNPFEDSA-N -2 0 371.411 0.649 20 0 FCADRL O=C([O-])c1ccc(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)cc1 ZINC000653311142 493092306 /nfs/dbraw/zinc/09/23/06/493092306.db2.gz MVVIQRZZBXXPOR-CYBMUJFWSA-N -2 0 360.366 0.923 20 0 FCADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000681563183 493186414 /nfs/dbraw/zinc/18/64/14/493186414.db2.gz NKRYABNICONQKN-SNVBAGLBSA-N -2 0 374.371 0.250 20 0 FCADRL COc1cc(F)c(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c(F)c1 ZINC000681578463 493189309 /nfs/dbraw/zinc/18/93/09/493189309.db2.gz DSSNGYZDTOOGND-CYBMUJFWSA-N -2 0 367.326 0.817 20 0 FCADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000663115477 493572169 /nfs/dbraw/zinc/57/21/69/493572169.db2.gz CCSNGWIJYLZGFU-MFKMUULPSA-N -2 0 354.403 0.657 20 0 FCADRL CCc1nc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cn1CC1CC1 ZINC000663284958 493581811 /nfs/dbraw/zinc/58/18/11/493581811.db2.gz AHBRTWPZICUGBR-JTQLQIEISA-N -2 0 359.404 0.452 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cn1 ZINC000436647381 536382553 /nfs/dbraw/zinc/38/25/53/536382553.db2.gz JYIBHQZKKLLYAW-UHFFFAOYSA-N -2 0 355.328 0.261 20 0 FCADRL Cc1n[n-]c(=NC(=O)c2ccc(C(=O)N=c3[n-]nc(C)s3)o2)s1 ZINC000473398825 547328453 /nfs/dbraw/zinc/32/84/53/547328453.db2.gz NOHCQXIILRZPHC-UHFFFAOYSA-N -2 0 350.385 0.948 20 0 FCADRL CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])s1 ZINC000738547519 597106104 /nfs/dbraw/zinc/10/61/04/597106104.db2.gz CPMIYNPQGRHDPJ-UHFFFAOYSA-N -2 0 366.442 0.007 20 0 FCADRL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])c1 ZINC000739601752 597108325 /nfs/dbraw/zinc/10/83/25/597108325.db2.gz HKPFLJLUAXWWPE-UHFFFAOYSA-N -2 0 360.413 0.011 20 0 FCADRL COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CC[C@@H](C(=O)[O-])C3)cc2)[n-]1 ZINC000818506864 597498425 /nfs/dbraw/zinc/49/84/25/597498425.db2.gz OVEIKNARBHOBKR-GFCCVEGCSA-N -2 0 373.365 0.428 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)NCC(=O)NC2(C(=O)[O-])CCCC2)cc1 ZINC000821388724 598195741 /nfs/dbraw/zinc/19/57/41/598195741.db2.gz BFIXOVNXIMXDKS-UHFFFAOYSA-N -2 0 370.383 0.177 20 0 FCADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)c1 ZINC000823387497 599305288 /nfs/dbraw/zinc/30/52/88/599305288.db2.gz MUYPPEVJEANFTJ-UHFFFAOYSA-N -2 0 360.355 0.690 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)o1 ZINC000324482207 599737331 /nfs/dbraw/zinc/73/73/31/599737331.db2.gz MMRWRLFVYGZUGY-UHFFFAOYSA-N -2 0 353.291 0.893 20 0 FCADRL COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1 ZINC000737649119 599738865 /nfs/dbraw/zinc/73/88/65/599738865.db2.gz IXZIYPPDVOEPKK-UHFFFAOYSA-N -2 0 357.344 0.765 20 0 FCADRL CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)CCNC(=O)[O-] ZINC000737202859 599797042 /nfs/dbraw/zinc/79/70/42/599797042.db2.gz HPMIPKZCPVWFIZ-UHFFFAOYSA-N -2 0 373.387 0.506 20 0 FCADRL COC(=O)NCCCC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000737638689 599800177 /nfs/dbraw/zinc/80/01/77/599800177.db2.gz VEHWCUOUCCERBK-UHFFFAOYSA-N -2 0 358.372 0.467 20 0 FCADRL COC(=O)c1sc(S(=O)(=O)N[C@@H](C)C(=O)[O-])c(C(=O)[O-])c1C ZINC000737721482 599870261 /nfs/dbraw/zinc/87/02/61/599870261.db2.gz YXIXNINAILLLKT-YFKPBYRVSA-N -2 0 351.358 0.293 20 0 FCADRL CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000737177086 599910550 /nfs/dbraw/zinc/91/05/50/599910550.db2.gz NDLAGZKCJDMACF-MRVPVSSYSA-N -2 0 351.402 0.693 20 0 FCADRL COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000737632911 599912630 /nfs/dbraw/zinc/91/26/30/599912630.db2.gz XSOSMCGXOMWILQ-UHFFFAOYSA-N -2 0 372.399 0.809 20 0 FCADRL CNC(=O)c1cc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cn1C ZINC000390331528 600052805 /nfs/dbraw/zinc/05/28/05/600052805.db2.gz SUJGFWKISRMIPU-UHFFFAOYSA-N -2 0 358.401 0.269 20 0 FCADRL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1nc(CC(=O)[O-])cs1 ZINC000737148926 600052927 /nfs/dbraw/zinc/05/29/27/600052927.db2.gz SKGKNERWVKBDIF-UHFFFAOYSA-N -2 0 374.400 0.779 20 0 FCADRL COC(=O)c1cc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc(C(=O)[O-])c1 ZINC000737666600 600149512 /nfs/dbraw/zinc/14/95/12/600149512.db2.gz MSKCCSYLWZVYFT-UHFFFAOYSA-N -2 0 371.309 0.195 20 0 FCADRL Cc1cccc(C[C@H](CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C(=O)[O-])c1 ZINC000738707966 600153692 /nfs/dbraw/zinc/15/36/92/600153692.db2.gz LRGBPYXGORGMHS-CYBMUJFWSA-N -2 0 369.381 0.439 20 0 FCADRL COc1ccc([C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C(=O)[O-])cc1 ZINC000737959946 600153824 /nfs/dbraw/zinc/15/38/24/600153824.db2.gz GSOIZDAQDOXNKB-CYBMUJFWSA-N -2 0 357.326 0.022 20 0 FCADRL CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1 ZINC000738155503 600211392 /nfs/dbraw/zinc/21/13/92/600211392.db2.gz QOJMUYFVHAHWQA-UHFFFAOYSA-N -2 0 373.412 0.313 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c1C(=O)[O-] ZINC000738829952 600232829 /nfs/dbraw/zinc/23/28/29/600232829.db2.gz VFKMJOCBSJVFRX-UHFFFAOYSA-N -2 0 358.763 0.969 20 0 FCADRL CNC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000737542268 600234796 /nfs/dbraw/zinc/23/47/96/600234796.db2.gz CBNHKFMYGLNVLG-UHFFFAOYSA-N -2 0 368.371 0.585 20 0 FCADRL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)N1CCCC1=O ZINC000736347773 600242520 /nfs/dbraw/zinc/24/25/20/600242520.db2.gz MBTAGTCBNBQVTN-AWEZNQCLSA-N -2 0 368.411 0.837 20 0 FCADRL O=C([O-])c1cn(CC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c2ccccc12 ZINC000739359736 600243421 /nfs/dbraw/zinc/24/34/21/600243421.db2.gz PQGKZZRVYZELDZ-SNVBAGLBSA-N -2 0 352.368 0.574 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc3ncccn3n2)c(F)cc1F ZINC000740090160 600245067 /nfs/dbraw/zinc/24/50/67/600245067.db2.gz VKOOUJJVQFKPSZ-UHFFFAOYSA-N -2 0 355.282 0.902 20 0 FCADRL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1nc(C)c(C(=O)[O-])s1 ZINC000737651249 600422551 /nfs/dbraw/zinc/42/25/51/600422551.db2.gz QVTHZMIGICBMMA-UHFFFAOYSA-N -2 0 360.373 0.769 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@H](c1ccccc1)n1cccn1 ZINC000739695106 600459738 /nfs/dbraw/zinc/45/97/38/600459738.db2.gz FLYLKXSPUDUZIS-CQSZACIVSA-N -2 0 351.384 0.783 20 0 FCADRL CCOC(=O)N1CCC(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000737144385 600460386 /nfs/dbraw/zinc/46/03/86/600460386.db2.gz PBOXDPALHDHOLN-UHFFFAOYSA-N -2 0 350.393 0.166 20 0 FCADRL CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736272265 600461100 /nfs/dbraw/zinc/46/11/00/600461100.db2.gz GPQIJQXZLHLKQF-JTQLQIEISA-N -2 0 364.420 0.697 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CN1C(=O)CCc2ccccc21 ZINC000739693311 600462129 /nfs/dbraw/zinc/46/21/29/600462129.db2.gz YJWYSKPFZGNOHH-UHFFFAOYSA-N -2 0 354.384 0.277 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)Cc1cc(F)cc2c1OCOC2 ZINC000739693029 600464746 /nfs/dbraw/zinc/46/47/46/600464746.db2.gz UOHMUHXUYXRIRM-UHFFFAOYSA-N -2 0 361.347 0.546 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])nnn1-c1cccc(C)c1 ZINC000738682334 600465084 /nfs/dbraw/zinc/46/50/84/600465084.db2.gz WOUBHHRCVNTSNJ-UHFFFAOYSA-N -2 0 366.399 0.809 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2nncn2Cc2ccccc2)c1C(=O)[O-] ZINC000738335674 600472749 /nfs/dbraw/zinc/47/27/49/600472749.db2.gz SYPKHGDVMHSPOB-UHFFFAOYSA-N -2 0 362.371 0.857 20 0 FCADRL COc1c(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c(C)nn1C ZINC000737839336 600520779 /nfs/dbraw/zinc/52/07/79/600520779.db2.gz KMOYPDADMVDNBQ-UHFFFAOYSA-N -2 0 359.385 0.616 20 0 FCADRL COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC000324558743 600529200 /nfs/dbraw/zinc/52/92/00/600529200.db2.gz OXJVSSFUESMYTR-UHFFFAOYSA-N -2 0 357.344 0.765 20 0 FCADRL COCCOc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1 ZINC000324538586 600529252 /nfs/dbraw/zinc/52/92/52/600529252.db2.gz JGFKDFYDZDUFAP-UHFFFAOYSA-N -2 0 355.372 0.794 20 0 FCADRL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC000737650268 600529826 /nfs/dbraw/zinc/52/98/26/600529826.db2.gz MMDBNODRJSOKBN-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000392281687 600672458 /nfs/dbraw/zinc/67/24/58/600672458.db2.gz RVPJZXLJYXDFNK-UHFFFAOYSA-N -2 0 366.399 0.908 20 0 FCADRL NC(=O)c1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)ccc1Cl ZINC000320034450 600673157 /nfs/dbraw/zinc/67/31/57/600673157.db2.gz HMTGPZIXHBITMT-UHFFFAOYSA-N -2 0 358.763 0.521 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)cn1 ZINC000326666597 600673636 /nfs/dbraw/zinc/67/36/36/600673636.db2.gz HLQDMSDKAKRBBK-UHFFFAOYSA-N -2 0 366.399 0.605 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cn1 ZINC000392183267 600674005 /nfs/dbraw/zinc/67/40/05/600674005.db2.gz AHVIMYNUVGXTOZ-UHFFFAOYSA-N -2 0 364.383 0.895 20 0 FCADRL C[C@@H]1Oc2ccc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)cc2NC1=O ZINC000326772181 600674012 /nfs/dbraw/zinc/67/40/12/600674012.db2.gz MVVYKVXCCBVLJI-QMMMGPOBSA-N -2 0 366.355 0.488 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CO3)cn1 ZINC000739911603 600674591 /nfs/dbraw/zinc/67/45/91/600674591.db2.gz FAKXQZAPWIYODA-UHFFFAOYSA-N -2 0 352.328 0.099 20 0 FCADRL COC(=O)COc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000327267279 600675792 /nfs/dbraw/zinc/67/57/92/600675792.db2.gz CMXCLDJATIVCKF-UHFFFAOYSA-N -2 0 369.355 0.320 20 0 FCADRL NC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833084474 600678385 /nfs/dbraw/zinc/67/83/85/600678385.db2.gz HQLFIOWGJPSQCK-UHFFFAOYSA-N -2 0 358.763 0.521 20 0 FCADRL CN1CCc2c(cccc2[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC000830963262 600679350 /nfs/dbraw/zinc/67/93/50/600679350.db2.gz ASMWSOQDDDEJQZ-UHFFFAOYSA-N -2 0 350.400 0.756 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cn2)cc1C(=O)[O-] ZINC000833055476 600830462 /nfs/dbraw/zinc/83/04/62/600830462.db2.gz DZRXZMLGGIAQLY-UHFFFAOYSA-N -2 0 366.399 0.756 20 0 FCADRL Cn1nc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1C1CC1 ZINC000833060063 600943849 /nfs/dbraw/zinc/94/38/49/600943849.db2.gz OGCGKCCEMRVLQG-UHFFFAOYSA-N -2 0 356.404 0.069 20 0 FCADRL Cc1nc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c2ccccn12 ZINC000832995096 600943865 /nfs/dbraw/zinc/94/38/65/600943865.db2.gz RFMFYSDDCCFZHE-UHFFFAOYSA-N -2 0 366.399 0.414 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccccc1Cn1cncn1 ZINC000833227832 600947610 /nfs/dbraw/zinc/94/76/10/600947610.db2.gz CONVKJTWZFGBEM-UHFFFAOYSA-N -2 0 352.372 0.251 20 0 FCADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ncn(CC(=O)N(C)C)n1 ZINC000832867968 600984242 /nfs/dbraw/zinc/98/42/42/600984242.db2.gz HNJUICCLRJOXLG-UHFFFAOYSA-N -2 0 367.387 0.174 20 0 FCADRL COC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC000831192378 600986364 /nfs/dbraw/zinc/98/63/64/600986364.db2.gz JVUTWNZZUFZTHP-UHFFFAOYSA-N -2 0 374.762 0.604 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)n1 ZINC000833276994 600987365 /nfs/dbraw/zinc/98/73/65/600987365.db2.gz VKDIUHYFFSBBKH-UHFFFAOYSA-N -2 0 365.371 0.056 20 0 FCADRL COC(=O)C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C(=O)[O-] ZINC000831133033 601271986 /nfs/dbraw/zinc/27/19/86/601271986.db2.gz ANDNQELLORWJSK-SNVBAGLBSA-N -2 0 365.317 0.772 20 0 FCADRL O=C([O-])c1ccccc1OS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000833335529 601272046 /nfs/dbraw/zinc/27/20/46/601272046.db2.gz UPQWLDCQFYYCBF-UHFFFAOYSA-N -2 0 363.307 0.902 20 0 FCADRL COC(=O)C[C@H](NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C(=O)[O-] ZINC000831133032 601272105 /nfs/dbraw/zinc/27/21/05/601272105.db2.gz ANDNQELLORWJSK-JTQLQIEISA-N -2 0 365.317 0.772 20 0 FCADRL Cn1ncc2cc(C(=O)[N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cnc21 ZINC000833061982 601303051 /nfs/dbraw/zinc/30/30/51/601303051.db2.gz WTLPQODLDAITST-UHFFFAOYSA-N -2 0 360.351 0.785 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cc(C)c1OCC(=O)[O-] ZINC000832864646 601501019 /nfs/dbraw/zinc/50/10/19/601501019.db2.gz QGIQNYAVAZCPBG-LBPRGKRZSA-N -2 0 357.384 0.615 20 0 FCADRL CCCCC[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000829346925 601520976 /nfs/dbraw/zinc/52/09/76/601520976.db2.gz FDQPJNMKXYYKEY-JTQLQIEISA-N -2 0 370.387 0.748 20 0 FCADRL CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000829648291 601598651 /nfs/dbraw/zinc/59/86/51/601598651.db2.gz JSALVFQAHWRLMS-UHFFFAOYSA-N -2 0 370.427 0.979 20 0 FCADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(CC(=O)NCC(=O)[O-])cc2)c1 ZINC000830429899 601782424 /nfs/dbraw/zinc/78/24/24/601782424.db2.gz ZUKWAHGIAKUAMY-UHFFFAOYSA-N -2 0 366.399 0.447 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H](C)C(=O)[O-])c1cc(F)ccc1F ZINC000831077846 601786019 /nfs/dbraw/zinc/78/60/19/601786019.db2.gz CSHPQONCMZYKPV-CPCISQLKSA-N -2 0 351.327 0.819 20 0 FCADRL NC(=O)Cn1cc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cn1 ZINC000833083854 601835752 /nfs/dbraw/zinc/83/57/52/601835752.db2.gz PFDZHLXZGFXRBN-UHFFFAOYSA-N -2 0 360.298 0.146 20 0 FCADRL O=C(CCOC1CCOCC1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833100896 601843286 /nfs/dbraw/zinc/84/32/86/601843286.db2.gz NMXICPBUUHVFFO-UHFFFAOYSA-N -2 0 363.413 0.837 20 0 FCADRL CN1C(=O)c2ccc(S(=O)(=O)[N-]c3csnc3C(=O)[O-])cc2C1=O ZINC000830907686 602154895 /nfs/dbraw/zinc/15/48/95/602154895.db2.gz OVAPQIXCHRJKJC-UHFFFAOYSA-N -2 0 367.364 0.868 20 0 FCADRL CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])c(OCC)c1 ZINC000829459206 604668141 /nfs/dbraw/zinc/66/81/41/604668141.db2.gz VPGIQKRAASDRIJ-UHFFFAOYSA-N -2 0 374.415 0.865 20 0 FCADRL O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000833355607 604709599 /nfs/dbraw/zinc/70/95/99/604709599.db2.gz NSXGDHPGBRVMJN-CQSZACIVSA-N -2 0 364.789 0.486 20 0 FCADRL CS(=O)(=O)[N-]c1nnc(NC(=O)Cc2ccccc2C(=O)[O-])s1 ZINC000833737606 604783807 /nfs/dbraw/zinc/78/38/07/604783807.db2.gz HRTUDQQDJYHWRN-UHFFFAOYSA-N -2 0 356.385 0.789 20 0 FCADRL COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000833723492 604880239 /nfs/dbraw/zinc/88/02/39/604880239.db2.gz HEPAEQGKSHQYHC-UHFFFAOYSA-N -2 0 351.764 0.760 20 0 FCADRL CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CCC1 ZINC000833700035 605119576 /nfs/dbraw/zinc/11/95/76/605119576.db2.gz ZLILJHXOTULTBX-UHFFFAOYSA-N -2 0 374.802 0.759 20 0 FCADRL CCc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)OC)c2)no1 ZINC000833674408 605305383 /nfs/dbraw/zinc/30/53/83/605305383.db2.gz AYLBARUWZWKJMM-UHFFFAOYSA-N -2 0 355.328 0.918 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])no2)c1 ZINC000833716444 605903097 /nfs/dbraw/zinc/90/30/97/605903097.db2.gz HCQHHKLUCCKKTP-UHFFFAOYSA-N -2 0 354.296 0.278 20 0 FCADRL O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cc(-c2nn[nH]n2)cs1 ZINC000823270066 606583240 /nfs/dbraw/zinc/58/32/40/606583240.db2.gz XJLANXDQMCJMCE-UHFFFAOYSA-N -2 0 361.387 0.828 20 0 FCADRL CC(C)[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C(=O)[O-] ZINC000824198645 608010401 /nfs/dbraw/zinc/01/04/01/608010401.db2.gz CFBJFPJLHFIFIT-SECBINFHSA-N -2 0 361.330 0.532 20 0 FCADRL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000826393137 608220431 /nfs/dbraw/zinc/22/04/31/608220431.db2.gz CSMCVIXSEHLCAV-UHFFFAOYSA-N -2 0 363.334 0.301 20 0 FCADRL N#Cc1ccc(S(=O)(=O)[N-][N-]C(=O)c2cnccn2)c(C(F)(F)F)c1 ZINC000055579857 666543455 /nfs/dbraw/zinc/54/34/55/666543455.db2.gz HHLZIUSZRRJFRK-UHFFFAOYSA-N -2 0 371.300 0.990 20 0 FCADRL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][N-]C(=O)c2cnccn2)cc1C ZINC000060442166 666582294 /nfs/dbraw/zinc/58/22/94/666582294.db2.gz JNJFGYAIHDPCNE-UHFFFAOYSA-N -2 0 351.344 0.625 20 0 FCADRL CC(C)[C@H](NS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2)C(=O)[O-] ZINC000919954683 667208791 /nfs/dbraw/zinc/20/87/91/667208791.db2.gz RPSZZUTWOXSPBE-NSHDSACASA-N -2 0 359.356 0.544 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)c1Cl ZINC000753774798 667565995 /nfs/dbraw/zinc/56/59/95/667565995.db2.gz HATKREDBJHFHDJ-UHFFFAOYSA-N -2 0 372.790 0.829 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])ccc1F ZINC000774623293 668163118 /nfs/dbraw/zinc/16/31/18/668163118.db2.gz YKZXAVUBLCCVTD-UHFFFAOYSA-N -2 0 357.319 0.845 20 0 FCADRL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000776443219 668262782 /nfs/dbraw/zinc/26/27/82/668262782.db2.gz DPFGICJODQTAGY-UWTATZPHSA-N -3 0 363.216 0.588 20 0 FCADRL CN1CCCc2ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc21 ZINC000776585126 668274655 /nfs/dbraw/zinc/27/46/55/668274655.db2.gz SCEXCAYTLXSPQR-INIZCTEOSA-N -2 0 370.427 0.913 20 0 FCADRL CC[C@@H](C)C[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000776616110 668279555 /nfs/dbraw/zinc/27/95/55/668279555.db2.gz RAIVPYMEKRZZOE-GMSGAONNSA-N -2 0 370.387 0.604 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000776646583 668283090 /nfs/dbraw/zinc/28/30/90/668283090.db2.gz ZXEQOZUVAGSPOF-UHFFFAOYSA-N -2 0 363.216 0.542 20 0 FCADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(N)=O)c1 ZINC000793368565 668926434 /nfs/dbraw/zinc/92/64/34/668926434.db2.gz OLTGAFCAODISGV-UHFFFAOYSA-N -2 0 356.335 0.315 20 0 FCADRL COc1ccc(OCCS(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)cc1 ZINC000821089431 669155707 /nfs/dbraw/zinc/15/57/07/669155707.db2.gz ICFVGHRPKCOLSA-UHFFFAOYSA-N -2 0 355.372 0.948 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000815932562 669930105 /nfs/dbraw/zinc/93/01/05/669930105.db2.gz KKQMRLPFEQONNB-UWVGGRQHSA-N -2 0 374.381 0.705 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])c(Br)o1 ZINC000837296610 670097421 /nfs/dbraw/zinc/09/74/21/670097421.db2.gz PRSMLKWZRIOZRN-SCSAIBSYSA-N -2 0 374.140 0.530 20 0 FCADRL CO[C@H]1COCC[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000840891704 670523998 /nfs/dbraw/zinc/52/39/98/670523998.db2.gz ZOKQIUOTEVTLMW-UFBFGSQYSA-N -2 0 365.354 0.993 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000844792421 670944390 /nfs/dbraw/zinc/94/43/90/670944390.db2.gz WBLRTEFGYPEMBA-UHFFFAOYSA-N -2 0 361.759 0.629 20 0 FCADRL COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])c1F ZINC000848679957 671289661 /nfs/dbraw/zinc/28/96/61/671289661.db2.gz XQMJOTSLQIONOC-SSDOTTSWSA-N -2 0 357.718 0.967 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc(F)cn1 ZINC000851700284 671460026 /nfs/dbraw/zinc/46/00/26/671460026.db2.gz AOTOYKQQZNTLQS-WPRPVWTQSA-N -2 0 363.267 0.957 20 0 FCADRL Cc1nnsc1CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852733283 671519976 /nfs/dbraw/zinc/51/99/76/671519976.db2.gz OQYJJOLYPBHJFK-APPZFPTMSA-N -2 0 352.338 0.943 20 0 FCADRL O=C([O-])C[C@@H]1COCCN1S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000853063179 671536180 /nfs/dbraw/zinc/53/61/80/671536180.db2.gz ZVFCONZSZLDUQV-MRVPVSSYSA-N -2 0 363.775 0.902 20 0 FCADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000863953990 672164542 /nfs/dbraw/zinc/16/45/42/672164542.db2.gz HNYCOMZWNMYBGA-NSHDSACASA-N -2 0 357.388 0.017 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc1C(N)=O ZINC000863954820 672165284 /nfs/dbraw/zinc/16/52/84/672165284.db2.gz NROXJBQNIOLOFI-OAHLLOKOSA-N -2 0 354.384 0.400 20 0 FCADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])nc1 ZINC000863956938 672166184 /nfs/dbraw/zinc/16/61/84/672166184.db2.gz VGPRZGUYSFTXMR-UHFFFAOYSA-N -2 0 366.399 0.757 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)nc1 ZINC000863956606 672166198 /nfs/dbraw/zinc/16/61/98/672166198.db2.gz DELJKMKIKLALQB-LLVKDONJSA-N -2 0 372.399 0.810 20 0 FCADRL COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC000863958734 672167169 /nfs/dbraw/zinc/16/71/69/672167169.db2.gz JAKTXXJDPIHZLJ-VHSXEESVSA-N -2 0 357.384 0.950 20 0 FCADRL CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)CC1 ZINC000863960875 672168314 /nfs/dbraw/zinc/16/83/14/672168314.db2.gz BXYSCUYEJMTYSQ-UHFFFAOYSA-N -2 0 374.415 0.474 20 0 FCADRL CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])CC2(C)C)cc1 ZINC000863961604 672168575 /nfs/dbraw/zinc/16/85/75/672168575.db2.gz SOQLOIKSRRUQLH-INIZCTEOSA-N -2 0 368.411 0.493 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc3nsnc32)O1 ZINC000863961384 672168604 /nfs/dbraw/zinc/16/86/04/672168604.db2.gz OLHVARIBVWSXBV-SFYZADRCSA-N -2 0 357.369 0.128 20 0 FCADRL COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000863962151 672168912 /nfs/dbraw/zinc/16/89/12/672168912.db2.gz VIOUYFFLGOTRHV-HNNXBMFYSA-N -2 0 370.383 0.100 20 0 FCADRL CC(C)c1nc(S(=O)(=O)[N-]C(=O)c2cnc(C(=O)[O-])cn2)cn1C ZINC000863962941 672169539 /nfs/dbraw/zinc/16/95/39/672169539.db2.gz CMDZCPFTGYAPQO-UHFFFAOYSA-N -2 0 353.360 0.150 20 0 FCADRL Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc12 ZINC000863962674 672169561 /nfs/dbraw/zinc/16/95/61/672169561.db2.gz SYPLFNPYPPJQFP-NSHDSACASA-N -2 0 368.415 0.829 20 0 FCADRL CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000863966312 672171442 /nfs/dbraw/zinc/17/14/42/672171442.db2.gz WHJMFZUOHDEVTI-UHFFFAOYSA-N -2 0 354.384 0.455 20 0 FCADRL Cc1ccc(-n2[n-]c(C(=O)N3CCSC[C@@H]3c3nnn[n-]3)cc2=O)cc1 ZINC000776564022 1209529645 /nfs/dbraw/zinc/52/96/45/1209529645.db2.gz MECHNHHLMVEXLB-CYBMUJFWSA-N -2 0 371.426 0.917 20 0 FCADRL Cc1nc[nH]c(=O)c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001110764255 1209808565 /nfs/dbraw/zinc/80/85/65/1209808565.db2.gz LEPHMDZAGPYPNV-RTXFEEFZSA-N -2 0 373.417 0.169 20 0 FCADRL COC(=O)c1cc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(OC)c1 ZINC001223485601 1225709071 /nfs/dbraw/zinc/70/90/71/1225709071.db2.gz ZBENWHRFNOUOOM-YPMHNXCESA-N -2 0 370.310 0.061 20 0 FCADRL O=C([O-])C[C@H](C(=O)OCCCC(=O)OCc1ccccc1)[C@H](O)C(=O)[O-] ZINC001224736513 1225791039 /nfs/dbraw/zinc/79/10/39/1225791039.db2.gz NCTAZIMMFXONDK-WFASDCNBSA-N -2 0 368.338 0.590 20 0 FCADRL CC(C)COC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001226084499 1225833114 /nfs/dbraw/zinc/83/31/14/1225833114.db2.gz SHYDARJTIGPNEX-GXTWGEPZSA-N -2 0 368.338 0.941 20 0 FCADRL CC(C)COC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001226084500 1225833209 /nfs/dbraw/zinc/83/32/09/1225833209.db2.gz SHYDARJTIGPNEX-JSGCOSHPSA-N -2 0 368.338 0.941 20 0 FCADRL Cc1c(C)c2ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc2oc1=O ZINC001226475385 1225844780 /nfs/dbraw/zinc/84/47/80/1225844780.db2.gz KXTXJCJEBKOXRG-SMDDNHRTSA-N -2 0 364.306 0.852 20 0 FCADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)n1 ZINC000826834973 1218908458 /nfs/dbraw/zinc/90/84/58/1218908458.db2.gz ZDDDMXMAPFAIMZ-CQSZACIVSA-N -2 0 369.385 0.867 20 0 FCADRL COc1ccc(C(C)=O)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1OC ZINC001227416640 1225873456 /nfs/dbraw/zinc/87/34/56/1225873456.db2.gz GKGHUXVUVXMSMX-SKDRFNHKSA-N -2 0 370.310 0.348 20 0 FCADRL COc1ccc2c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(=O)oc2c1 ZINC001227526794 1225878080 /nfs/dbraw/zinc/87/80/80/1225878080.db2.gz IBMRAGJCAPNZMQ-OTYXRUKQSA-N -2 0 366.278 0.243 20 0 FCADRL COc1cc2ccc(=O)oc2cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227565123 1225878760 /nfs/dbraw/zinc/87/87/60/1225878760.db2.gz WLANJYGVVFGUMV-XLKFXECMSA-N -2 0 366.278 0.243 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc2c3c1CCCN3CCC2)[C@@H](O)C(=O)[O-] ZINC001228426463 1225923531 /nfs/dbraw/zinc/92/35/31/1225923531.db2.gz LNINYKGCLRGWAJ-BLLLJJGKSA-N -2 0 363.366 0.827 20 0 FCADRL O=C([N-]N1CC(=O)NC1=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000752699753 1220080416 /nfs/dbraw/zinc/08/04/16/1220080416.db2.gz RSNMBAWZHHFMJQ-UHFFFAOYSA-N -2 0 369.259 0.793 20 0 FCADRL COC(=O)c1cc2ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc2[nH]1 ZINC001229559896 1226017910 /nfs/dbraw/zinc/01/79/10/1226017910.db2.gz CAFIMVSIPBZMLV-ZANVPECISA-N -2 0 365.294 0.396 20 0 FCADRL CC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2ncccc12 ZINC001229679653 1226026684 /nfs/dbraw/zinc/02/66/84/1226026684.db2.gz VVGSROYZVWJWSA-XHDPSFHLSA-N -2 0 361.306 0.879 20 0 FCADRL CC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2ncccc12 ZINC001229679652 1226027116 /nfs/dbraw/zinc/02/71/16/1226027116.db2.gz VVGSROYZVWJWSA-NHYWBVRUSA-N -2 0 361.306 0.879 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cccc(-c2cccc(=O)[nH]2)n1)[C@@H](O)C(=O)[O-] ZINC001230632084 1226085020 /nfs/dbraw/zinc/08/50/20/1226085020.db2.gz APHABNGALBKYHI-XLKFXECMSA-N -2 0 362.294 0.291 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cccc(-c2cccc(=O)[nH]2)n1)[C@H](O)C(=O)[O-] ZINC001230632083 1226085042 /nfs/dbraw/zinc/08/50/42/1226085042.db2.gz APHABNGALBKYHI-RTHLEPHNSA-N -2 0 362.294 0.291 20 0 FCADRL COC(=O)c1c[nH]c2cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc21 ZINC001233537761 1259552557 /nfs/dbraw/zinc/55/25/57/1259552557.db2.gz AGJNKAJUSZGWAB-RNCFNFMXSA-N -2 0 365.294 0.396 20 0 FCADRL CCOC(=O)c1ccc(OC)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234758311 1259564697 /nfs/dbraw/zinc/56/46/97/1259564697.db2.gz GYOYRJCUIYZRIT-GXFFZTMASA-N -2 0 370.310 0.314 20 0 FCADRL Cc1cc(=O)c2c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc([O-])cc2o1 ZINC001234821500 1259564801 /nfs/dbraw/zinc/56/48/01/1259564801.db2.gz TUTWXFQFAFWLEV-RMLUDKJBSA-N -3 0 366.278 0.249 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N[C@@H](CCSC)c2nnn[n-]2)c1 ZINC001557589755 1268956431 /nfs/dbraw/zinc/95/64/31/1268956431.db2.gz URLYTHAYEUTNEC-FNODVLLQSA-N -2 0 369.472 0.927 20 0 FCADRL CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001558028072 1269004490 /nfs/dbraw/zinc/00/44/90/1269004490.db2.gz UFUIUHLEJIFXCD-UHFFFAOYSA-N -2 0 350.404 0.591 20 0 FCADRL Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001580596925 1278550876 /nfs/dbraw/zinc/55/08/76/1278550876.db2.gz FGDQBXNLQBEMEP-MRVPVSSYSA-N -2 0 371.361 0.119 20 0 FCADRL C[C@H]1CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C2(CCC2)CO1 ZINC001576361040 1273184832 /nfs/dbraw/zinc/18/48/32/1273184832.db2.gz QGRZZBMAGGNZCL-JTQLQIEISA-N -2 0 356.390 0.758 20 0 FCADRL COCCN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)CC(F)(F)F ZINC001579810115 1277920928 /nfs/dbraw/zinc/92/09/28/1277920928.db2.gz NYXXJJWTTLKAME-UHFFFAOYSA-N -2 0 372.311 0.626 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(Cn2ccnn2)c1 ZINC001603188561 1287325102 /nfs/dbraw/zinc/32/51/02/1287325102.db2.gz OFWBEKYVZGQNQW-GHMZBOCLSA-N -2 0 366.399 0.495 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2cc[nH]c(=O)c2s1 ZINC001603187558 1287325440 /nfs/dbraw/zinc/32/54/40/1287325440.db2.gz IPVOOTDGNGMKAU-BQBZGAKWSA-N -2 0 358.397 0.758 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001603186881 1287325465 /nfs/dbraw/zinc/32/54/65/1287325465.db2.gz CTRICQVFMSBQGE-YUMQZZPRSA-N -2 0 356.356 0.186 20 0 FCADRL C[C@@H](C(=O)[O-])N(Cc1cccnc1)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001603198894 1287328057 /nfs/dbraw/zinc/32/80/57/1287328057.db2.gz PMLLAXWRAMKCRS-JTQLQIEISA-N -2 0 367.383 0.782 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1 ZINC001603201927 1287328943 /nfs/dbraw/zinc/32/89/43/1287328943.db2.gz PUQBWEFEKUJHRC-ZUZCIYMTSA-N -2 0 361.416 0.974 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001603202257 1287329612 /nfs/dbraw/zinc/32/96/12/1287329612.db2.gz WOKKQCHMMHDXRA-DGCLKSJQSA-N -2 0 368.411 0.458 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc(N2CCOC2=O)ccc1F ZINC001603204308 1287329713 /nfs/dbraw/zinc/32/97/13/1287329713.db2.gz MPXALYUEDCUGBN-ZETCQYMHSA-N -2 0 360.319 0.315 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1cccc(N2CCCC2=O)c1)C(=O)[O-] ZINC001603659805 1287460100 /nfs/dbraw/zinc/46/01/00/1287460100.db2.gz GSJJTXGPDPDVRF-UHFFFAOYSA-N -2 0 368.411 0.984 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)cs1)C(=O)[O-] ZINC001603660820 1287460496 /nfs/dbraw/zinc/46/04/96/1287460496.db2.gz RJMVGDSRRVMRKL-UHFFFAOYSA-N -2 0 369.442 0.322 20 0 FCADRL CC(C)[C@H](CNC(=O)C(=O)N1CCc2c(cccc2C(=O)[O-])C1)C(=O)[O-] ZINC001603723385 1287480785 /nfs/dbraw/zinc/48/07/85/1287480785.db2.gz LMNLRQNRXHPVSL-AWEZNQCLSA-N -2 0 362.382 0.743 20 0 FCADRL O=C(c1ncccc1O)N1CCC[C@H]1CNc1cncc(-c2nn[nH]n2)n1 ZINC001582751647 1281976777 /nfs/dbraw/zinc/97/67/77/1281976777.db2.gz QJXLXJHEXJHGSK-JTQLQIEISA-N -2 0 367.373 0.474 20 0 FCADRL CC(C)n1nccc1NC(=C(F)C(=O)[O-])c1c([O-])[nH]c(=S)[nH]c1=O ZINC001604048271 1287561840 /nfs/dbraw/zinc/56/18/40/1287561840.db2.gz TYIKTKHVHROWHA-QMMMGPOBSA-N -2 0 355.351 0.084 20 0 FCADRL C[C@@H](C1CCCCC1)N(CC(=O)[O-])S(=O)(=O)N(C)CCC(=O)[O-] ZINC001604050532 1287563486 /nfs/dbraw/zinc/56/34/86/1287563486.db2.gz QBBGSFREFPDHSS-NSHDSACASA-N -2 0 350.437 0.993 20 0 FCADRL C[C@H](CC(=O)[O-])C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001589795727 1283009441 /nfs/dbraw/zinc/00/94/41/1283009441.db2.gz YKZBUBSDOKQTGO-SECBINFHSA-N -2 0 369.403 0.971 20 0 FCADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001590087842 1283210032 /nfs/dbraw/zinc/21/00/32/1283210032.db2.gz ZNUFPCQOHPMYQN-AWEZNQCLSA-N -2 0 365.371 0.173 20 0 FCADRL C[C@@H]1C[C@H](C)[C@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)O1 ZINC001590190772 1283295908 /nfs/dbraw/zinc/29/59/08/1283295908.db2.gz GHGWMAZGZHGRNZ-JOAULVNJSA-N -2 0 359.346 0.472 20 0 FCADRL C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001590224969 1283351995 /nfs/dbraw/zinc/35/19/95/1283351995.db2.gz BAXDBBIZLXUIRJ-SFYZADRCSA-N -2 0 357.417 0.802 20 0 FCADRL COCc1ccc(C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)o1 ZINC001591456012 1284619651 /nfs/dbraw/zinc/61/96/51/1284619651.db2.gz DGHMAGUVDDIODF-UHFFFAOYSA-N -2 0 371.313 0.711 20 0 FCADRL CON(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)CC1CCOCC1 ZINC001591465259 1284636122 /nfs/dbraw/zinc/63/61/22/1284636122.db2.gz RVRXYAGGCGYLAZ-UHFFFAOYSA-N -2 0 360.378 0.405 20 0 FCADRL COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001591565109 1284739142 /nfs/dbraw/zinc/73/91/42/1284739142.db2.gz IFMQRDKBBQPDOK-VHSXEESVSA-N -2 0 374.357 0.183 20 0 FCADRL C[C@H]1CC[C@@](CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)(CC(=O)[O-])C1 ZINC001604699686 1287739177 /nfs/dbraw/zinc/73/91/77/1287739177.db2.gz CARMJWHRPNVZEX-NHYWBVRUSA-N -2 0 362.448 0.899 20 0 FCADRL C[C@H]1CCc2ccccc2N1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001604762868 1287769407 /nfs/dbraw/zinc/76/94/07/1287769407.db2.gz AIYHDUPCYLNHIW-GDLCADMTSA-N -2 0 368.411 0.821 20 0 FCADRL Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)n1 ZINC001592560175 1285472417 /nfs/dbraw/zinc/47/24/17/1285472417.db2.gz QFHMSFWWPSDOAP-VIFPVBQESA-N -2 0 366.234 0.926 20 0 FCADRL O=C(COCC(F)(F)F)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001592886490 1285791885 /nfs/dbraw/zinc/79/18/85/1285791885.db2.gz SRUASYDEDKYNQC-UHFFFAOYSA-N -2 0 373.251 0.237 20 0 FCADRL O=C(Cc1cccc(O)c1)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001592922201 1285813405 /nfs/dbraw/zinc/81/34/05/1285813405.db2.gz WSELANAHCZCCFY-UHFFFAOYSA-N -2 0 367.325 0.607 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)cnn1CC(=O)[O-] ZINC001600054862 1286433285 /nfs/dbraw/zinc/43/32/85/1286433285.db2.gz HLHJBJWPNKWGKB-UHFFFAOYSA-N -2 0 372.790 0.829 20 0 FCADRL Cc1c(S(=O)(=O)[N-]C(=O)c2cccc(OCC(=O)[O-])c2)cnn1C ZINC001600056062 1286434386 /nfs/dbraw/zinc/43/43/86/1286434386.db2.gz VMFKICWKNSKLON-UHFFFAOYSA-N -2 0 353.356 0.311 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c(C)n1-c1cnn(C)c1 ZINC001600096529 1286440764 /nfs/dbraw/zinc/44/07/64/1286440764.db2.gz QOOURTHXTQGALR-UHFFFAOYSA-N -2 0 354.388 0.362 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1F ZINC001600111301 1286442539 /nfs/dbraw/zinc/44/25/39/1286442539.db2.gz AGGJEUOQAXRKNH-MEBBXXQBSA-N -2 0 373.358 0.554 20 0 FCADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001600125121 1286445759 /nfs/dbraw/zinc/44/57/59/1286445759.db2.gz XCUHAUBCGGGXDO-LLVKDONJSA-N -2 0 353.356 0.391 20 0 FCADRL Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001600155984 1286448804 /nfs/dbraw/zinc/44/88/04/1286448804.db2.gz WEDDJGADCVRBJB-LBPRGKRZSA-N -2 0 350.327 0.252 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)CCn2c(C)csc2=O)oc1C(=O)[O-] ZINC001600296912 1286471616 /nfs/dbraw/zinc/47/16/16/1286471616.db2.gz ICZWTGMMFJTXHP-UHFFFAOYSA-N -2 0 374.396 0.713 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)c2cnc(N(C)C)cn2)oc1C(=O)[O-] ZINC001600298035 1286471736 /nfs/dbraw/zinc/47/17/36/1286471736.db2.gz YORJUPHBNHUEPN-UHFFFAOYSA-N -2 0 354.344 0.261 20 0 FCADRL Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)[N-]OCCCC(=O)[O-] ZINC001600302592 1286474127 /nfs/dbraw/zinc/47/41/27/1286474127.db2.gz DAYFIYBFZUJTNY-UHFFFAOYSA-N -2 0 358.372 0.250 20 0 FCADRL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001600316603 1286476460 /nfs/dbraw/zinc/47/64/60/1286476460.db2.gz LBIPGBMEGOLBPG-UHFFFAOYSA-N -2 0 369.337 0.984 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600476445 1286492416 /nfs/dbraw/zinc/49/24/16/1286492416.db2.gz MIWQGTVLJVALJN-ZWNOBZJWSA-N -2 0 357.384 0.539 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c(C(=O)[O-])c1 ZINC001600475962 1286492628 /nfs/dbraw/zinc/49/26/28/1286492628.db2.gz RBZVAGRNDKFJGG-ONGXEEELSA-N -3 0 371.367 0.489 20 0 FCADRL Cc1cccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccnn2C)c1C(=O)[O-] ZINC001600551685 1286506435 /nfs/dbraw/zinc/50/64/35/1286506435.db2.gz YCNITGRORXPQNA-GFCCVEGCSA-N -2 0 353.356 0.531 20 0 FCADRL Cc1ccccc1CCNC(=O)[C@@H](C)S(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001600579494 1286509815 /nfs/dbraw/zinc/50/98/15/1286509815.db2.gz GWEIPBRNUBHFSK-LLVKDONJSA-N -2 0 365.411 0.937 20 0 FCADRL Cc1ccncc1/C=C/C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001600604299 1286512645 /nfs/dbraw/zinc/51/26/45/1286512645.db2.gz CERGRQSTMSTEAU-NSCUHMNNSA-N -2 0 353.400 0.561 20 0 FCADRL Cc1cnn(C[C@H](NS(=O)(=O)CC2(C(=O)[O-])CCCCC2)C(=O)[O-])c1 ZINC001600636421 1286518529 /nfs/dbraw/zinc/51/85/29/1286518529.db2.gz BGQPXXDIKJZYMW-LBPRGKRZSA-N -2 0 373.431 0.599 20 0 FCADRL Cc1cnn(C[C@H](NS(=O)(=O)c2cccc(CC(=O)[O-])c2)C(=O)[O-])c1 ZINC001600636866 1286518684 /nfs/dbraw/zinc/51/86/84/1286518684.db2.gz QUKVJQFXNBLYME-ZDUSSCGKSA-N -2 0 367.383 0.250 20 0 FCADRL Cc1n[nH]c(C(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)c1[O-] ZINC001600665654 1286521473 /nfs/dbraw/zinc/52/14/73/1286521473.db2.gz NFLPLIZIVBVUIF-UHFFFAOYSA-N -2 0 367.383 0.353 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc3c(c2F)CCNC3=O)c1C(=O)[O-] ZINC001600673800 1286525054 /nfs/dbraw/zinc/52/50/54/1286525054.db2.gz AXRJKMNBTVJFEA-UHFFFAOYSA-N -2 0 368.346 0.642 20 0 FCADRL Cc1nc(C2CC2)oc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001600693782 1286527483 /nfs/dbraw/zinc/52/74/83/1286527483.db2.gz OHMVHEZRUCAXMT-UHFFFAOYSA-N -2 0 357.388 0.632 20 0 FCADRL Cc1nn(-c2ccccc2)c(C)c1CC(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001600763205 1286539870 /nfs/dbraw/zinc/53/98/70/1286539870.db2.gz NANQFLHXXYJBDH-UHFFFAOYSA-N -2 0 365.411 0.952 20 0 FCADRL Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001600778190 1286543086 /nfs/dbraw/zinc/54/30/86/1286543086.db2.gz YZMZWMGYDQHSBU-UHFFFAOYSA-N -2 0 353.356 0.311 20 0 FCADRL Cc1nn(CC(F)(F)F)c(C)c1CC(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001600784333 1286544621 /nfs/dbraw/zinc/54/46/21/1286544621.db2.gz LFYIWEHZXXDHGJ-UHFFFAOYSA-N -2 0 371.337 0.525 20 0 FCADRL Cc1noc(C)c1[C@H](C)CC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001600808113 1286549655 /nfs/dbraw/zinc/54/96/55/1286549655.db2.gz UGEUYBJBZDNBIW-SECBINFHSA-N -2 0 373.431 0.943 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@H](C)Sc1nncn1C ZINC001600834562 1286552879 /nfs/dbraw/zinc/55/28/79/1286552879.db2.gz VUWSWVZWVOTCID-ZETCQYMHSA-N -2 0 374.400 0.400 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)CCCNC(=O)C1CC1 ZINC001600834645 1286553103 /nfs/dbraw/zinc/55/31/03/1286553103.db2.gz ZOSWEYAJADKQOY-UHFFFAOYSA-N -2 0 358.372 0.398 20 0 FCADRL Cc1oc(CN(C)C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600841453 1286555313 /nfs/dbraw/zinc/55/53/13/1286555313.db2.gz YTDRRKDNWBGBJC-RNCFNFMXSA-N -2 0 366.370 0.814 20 0 FCADRL Cc1onc(-c2cccnc2)c1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC001600863165 1286559611 /nfs/dbraw/zinc/55/96/11/1286559611.db2.gz SEXUWLZQMJVLHE-UHFFFAOYSA-N -2 0 353.356 0.969 20 0 FCADRL Cn1c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cn3)cc2n(C)c1=O ZINC001600894599 1286564527 /nfs/dbraw/zinc/56/45/27/1286564527.db2.gz JXLOXEGDMUZICA-UHFFFAOYSA-N -2 0 362.367 0.771 20 0 FCADRL Cn1c(C(=O)[O-])ccc1C(=O)[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC001600903789 1286565931 /nfs/dbraw/zinc/56/59/31/1286565931.db2.gz LMXQYAKOEWUMPG-UHFFFAOYSA-N -2 0 352.372 0.449 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cncc(N3CCCC3)n2)cc1C(=O)[O-] ZINC001600969851 1286585908 /nfs/dbraw/zinc/58/59/08/1286585908.db2.gz NPAGRADVVOAGHH-UHFFFAOYSA-N -2 0 351.388 0.914 20 0 FCADRL Cn1cccc(C(=O)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c1=O ZINC001600978160 1286587667 /nfs/dbraw/zinc/58/76/67/1286587667.db2.gz LPEFREYSGNHHAZ-UHFFFAOYSA-N -2 0 372.305 0.480 20 0 FCADRL Cn1nnc2ccc(C(=O)[N-]S(=O)(=O)Cc3ccc(C(=O)[O-])cc3)cc21 ZINC001601043231 1286619834 /nfs/dbraw/zinc/61/98/34/1286619834.db2.gz WXRCZWZVMSSHBO-UHFFFAOYSA-N -2 0 374.378 0.926 20 0 FCADRL NC(=O)[C@@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)c1ccccn1 ZINC001601138955 1286646590 /nfs/dbraw/zinc/64/65/90/1286646590.db2.gz GIMSDLQYLPRKJP-LBPRGKRZSA-N -2 0 371.321 0.563 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)NCCc2ccc(C(=O)[O-])cc2)c1 ZINC001601199624 1286694332 /nfs/dbraw/zinc/69/43/32/1286694332.db2.gz AUWMSHCVYIGMIT-UHFFFAOYSA-N -2 0 364.379 0.710 20 0 FCADRL NS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001601201841 1286697243 /nfs/dbraw/zinc/69/72/43/1286697243.db2.gz PFBQXXAQNSUVOS-UHFFFAOYSA-N -2 0 370.408 0.762 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]C(=O)CN2CCCCCCC2=O)c1 ZINC001601312627 1286722432 /nfs/dbraw/zinc/72/24/32/1286722432.db2.gz HQNKIKYJGJVMNY-UHFFFAOYSA-N -2 0 358.372 0.575 20 0 FCADRL O=C([O-])[C@H](CC1OCCO1)NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001601412305 1286741972 /nfs/dbraw/zinc/74/19/72/1286741972.db2.gz CSIRZFXSLCOWTB-NSHDSACASA-N -2 0 365.317 0.663 20 0 FCADRL O=C([O-])[C@@H](O)CNC(=O)c1cccc(I)c1[O-] ZINC001601524192 1286778564 /nfs/dbraw/zinc/77/85/64/1286778564.db2.gz YBDNNRGKCDUPEO-ZETCQYMHSA-N -2 0 351.096 0.172 20 0 FCADRL O=C([O-])[C@H](CC1OCCO1)[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001601646597 1286799066 /nfs/dbraw/zinc/79/90/66/1286799066.db2.gz WAVWIWNQVDBSRW-ZETCQYMHSA-N -2 0 366.779 0.700 20 0 FCADRL O=C([O-])[C@H](Cc1ccncn1)NS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001601660556 1286802560 /nfs/dbraw/zinc/80/25/60/1286802560.db2.gz QICFXDOLUDGVMZ-LBPRGKRZSA-N -2 0 371.415 0.427 20 0 FCADRL O=C([O-])[C@H](Cc1ncccn1)NS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001601662557 1286803669 /nfs/dbraw/zinc/80/36/69/1286803669.db2.gz JDUUVCQFTMPOKW-JTQLQIEISA-N -2 0 357.388 0.037 20 0 FCADRL O=C([O-])[C@@H]1CC(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])=NN1c1ccccc1 ZINC001601750715 1286821268 /nfs/dbraw/zinc/82/12/68/1286821268.db2.gz KCDBECASCQBWSL-MJBXVCDLSA-N -2 0 361.354 0.142 20 0 FCADRL O=C([O-])C1CCC(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CC1 ZINC001601798782 1286837460 /nfs/dbraw/zinc/83/74/60/1286837460.db2.gz LOGJFTOSWNBQFA-HSOILSAZSA-N -2 0 358.420 0.663 20 0 FCADRL O=C([O-])[C@H]1CSCCN1C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC001601858771 1286855831 /nfs/dbraw/zinc/85/58/31/1286855831.db2.gz WZPMAEYYHJAPKB-LLVKDONJSA-N -2 0 365.436 0.714 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC001601915379 1286870934 /nfs/dbraw/zinc/87/09/34/1286870934.db2.gz WEUNAAZGCIPPKL-AWEZNQCLSA-N -3 0 357.340 0.325 20 0 FCADRL O=C([O-])CC1(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CC1 ZINC001601930063 1286875376 /nfs/dbraw/zinc/87/53/76/1286875376.db2.gz SQFMMVRWUYVSLW-UHFFFAOYSA-N -2 0 368.411 0.914 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cccc(N2CCNC2=O)c1 ZINC001601998935 1286893874 /nfs/dbraw/zinc/89/38/74/1286893874.db2.gz BQNDBXOOGIZTOW-UHFFFAOYSA-N -2 0 355.372 0.141 20 0 FCADRL O=C([O-])CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC001602024952 1286907180 /nfs/dbraw/zinc/90/71/80/1286907180.db2.gz HBRJEFSZTJROJH-CMPLNLGQSA-N -2 0 364.354 0.848 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@@H](c1ccccc1)N1CCCCC1=O ZINC001602027455 1286907373 /nfs/dbraw/zinc/90/73/73/1286907373.db2.gz DMLPNPXLEZRWMZ-OAHLLOKOSA-N -2 0 368.411 0.661 20 0 FCADRL O=C([O-])CCOc1ccc(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])cc1 ZINC001602027789 1286908709 /nfs/dbraw/zinc/90/87/09/1286908709.db2.gz QWHOVPTUIPJSQN-SNVBAGLBSA-N -2 0 367.326 0.927 20 0 FCADRL O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)[N-]OC/C=C/Cl)cc1 ZINC001602072563 1286926667 /nfs/dbraw/zinc/92/66/67/1286926667.db2.gz BMXHEAQUGDJJBW-LZCJLJQNSA-N -2 0 355.734 0.240 20 0 FCADRL O=C([O-])COC1CCN(S(=O)(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC001602075528 1286928990 /nfs/dbraw/zinc/92/89/90/1286928990.db2.gz ICGRDKOELHPIBG-UHFFFAOYSA-N -2 0 357.384 0.780 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC001602097063 1286933574 /nfs/dbraw/zinc/93/35/74/1286933574.db2.gz HFVMMVAWSWPGRN-UHFFFAOYSA-N -2 0 360.775 0.611 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001602097084 1286933797 /nfs/dbraw/zinc/93/37/97/1286933797.db2.gz ITKBSHPQQSUPCX-LDYMZIIASA-N -2 0 367.301 0.699 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]C(=O)CN2CCCCC2=O)cc1F ZINC001602131550 1286943843 /nfs/dbraw/zinc/94/38/43/1286943843.db2.gz AJZZANBHTYYZKC-UHFFFAOYSA-N -2 0 372.374 0.270 20 0 FCADRL O=C([O-])Cc1csc(NC(=O)CN2CCC(c3n[nH]c(=O)[n-]3)CC2)n1 ZINC001602150722 1286949328 /nfs/dbraw/zinc/94/93/28/1286949328.db2.gz MDSQAMGAKXMDHG-UHFFFAOYSA-N -2 0 366.403 0.412 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cn1 ZINC001602163812 1286954270 /nfs/dbraw/zinc/95/42/70/1286954270.db2.gz QCBSWJPSLMUVOP-JLLWLGSASA-N -2 0 357.388 0.374 20 0 FCADRL O=C([O-])[C@@H](O)C[N-]S(=O)(=O)c1c(F)cc(Br)cc1F ZINC001602171513 1286956906 /nfs/dbraw/zinc/95/69/06/1286956906.db2.gz JPDRRBRHJTYEPQ-ZETCQYMHSA-N -2 0 360.132 0.451 20 0 FCADRL O=C([O-])c1cc(C(=O)[N-]S(=O)(=O)c2c(Cl)nc3ccccn32)on1 ZINC001602246761 1286975562 /nfs/dbraw/zinc/97/55/62/1286975562.db2.gz AXUFVXSVLRFMAH-UHFFFAOYSA-N -2 0 370.730 0.793 20 0 FCADRL O=C([O-])c1cc(Cl)ccc1S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC001602267509 1286977765 /nfs/dbraw/zinc/97/77/65/1286977765.db2.gz VKFCLIPKAMYGOW-UHFFFAOYSA-N -2 0 363.775 0.950 20 0 FCADRL O=C([O-])c1cc(F)cc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC001602273338 1286980238 /nfs/dbraw/zinc/98/02/38/1286980238.db2.gz RCYVOUHBOMSTOW-QMMMGPOBSA-N -2 0 370.362 0.916 20 0 FCADRL O=C([O-])c1cc(F)ccc1S(=O)(=O)N1CC2(CCOCC2)[C@@H]1C(=O)[O-] ZINC001602277377 1286981481 /nfs/dbraw/zinc/98/14/81/1286981481.db2.gz PQPMYLUFSZVIPK-LBPRGKRZSA-N -2 0 373.358 0.778 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)[O-])cc1 ZINC001602354666 1286990639 /nfs/dbraw/zinc/99/06/39/1286990639.db2.gz AKSSYALLACQEEG-YPMHNXCESA-N -2 0 357.384 0.684 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)[O-])cc1 ZINC001602354664 1286990952 /nfs/dbraw/zinc/99/09/52/1286990952.db2.gz AKSSYALLACQEEG-DGCLKSJQSA-N -2 0 357.384 0.684 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)s1 ZINC001602394524 1286993323 /nfs/dbraw/zinc/99/33/23/1286993323.db2.gz VXMSSDPKBYTQSB-UHFFFAOYSA-N -2 0 372.346 0.745 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c(F)c1 ZINC001602395819 1286994523 /nfs/dbraw/zinc/99/45/23/1286994523.db2.gz VOILGMOPTMQUJV-YMTOWFKASA-N -2 0 359.331 0.246 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC001602440343 1287002595 /nfs/dbraw/zinc/00/25/95/1287002595.db2.gz LGSLUGOMYUSZQI-LBPRGKRZSA-N -2 0 353.356 0.223 20 0 FCADRL O=C([O-])c1cn([C@@H]2CCCN(C(=O)c3cnc(C4CC4)[nH]c3=O)C2)nn1 ZINC001602495781 1287013897 /nfs/dbraw/zinc/01/38/97/1287013897.db2.gz UQXOLUHJEKQVLH-SNVBAGLBSA-N -2 0 358.358 0.827 20 0 FCADRL O=C([O-])c1nccc(N[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)n1 ZINC001602575380 1287029908 /nfs/dbraw/zinc/02/99/08/1287029908.db2.gz WEQAFVOJXWSYJW-AAEUAGOBSA-N -2 0 356.338 0.435 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]N1CCc2ccccc2C1=O ZINC001602584487 1287031938 /nfs/dbraw/zinc/03/19/38/1287031938.db2.gz GLJCUNILXZQPNX-UHFFFAOYSA-N -2 0 353.381 0.733 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC001602597667 1287033100 /nfs/dbraw/zinc/03/31/00/1287033100.db2.gz VYPIUXIMTLLTGA-AMIZOPFISA-N -2 0 361.397 0.558 20 0 FCADRL O=C([O-])c1c(Cl)cccc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCC(=O)N1 ZINC001602642079 1287046022 /nfs/dbraw/zinc/04/60/22/1287046022.db2.gz BZGSDHDULMMAMB-QMMMGPOBSA-N -2 0 374.802 0.902 20 0 FCADRL O=C([O-])C(F)=C(Nc1ccc2c(c1)OCO2)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001602656689 1287051894 /nfs/dbraw/zinc/05/18/94/1287051894.db2.gz RUNIGBYLQQNPNR-SECBINFHSA-N -2 0 367.314 0.035 20 0 FCADRL O=C([O-])C(F)=C(NCCc1ccc(F)cc1)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001602655857 1287052624 /nfs/dbraw/zinc/05/26/24/1287052624.db2.gz ISHWLCPGULFJAU-SNVBAGLBSA-N -2 0 369.349 0.166 20 0 FCADRL CC(=O)N(C)c1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])cc1 ZINC001603004923 1287177900 /nfs/dbraw/zinc/17/79/00/1287177900.db2.gz HRPMCWBPGQNARH-VHSXEESVSA-N -2 0 356.400 0.838 20 0 FCADRL CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001603047750 1287197097 /nfs/dbraw/zinc/19/70/97/1287197097.db2.gz OSEVEKMYPYTDJW-JTQLQIEISA-N -2 0 372.399 0.293 20 0 FCADRL CC(=O)NCCN(CC(=O)Nc1cccc(C(=O)[O-])c1)[C@H](C)C(=O)[O-] ZINC001603047829 1287197213 /nfs/dbraw/zinc/19/72/13/1287197213.db2.gz SHQGXQKBICGKSB-SNVBAGLBSA-N -2 0 351.359 0.235 20 0 FCADRL COC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[nH]n1 ZINC001605047919 1287855859 /nfs/dbraw/zinc/85/58/59/1287855859.db2.gz GXCZWOGZOCVQGP-QWRGUYRKSA-N -2 0 367.431 0.731 20 0 FCADRL CCOC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001605578488 1288017008 /nfs/dbraw/zinc/01/70/08/1288017008.db2.gz YYMXRLJIFZYOFZ-UHFFFAOYSA-N -2 0 368.371 0.799 20 0 FCADRL CCOC(=O)c1cnccc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001605577800 1288017618 /nfs/dbraw/zinc/01/76/18/1288017618.db2.gz GZKVCITXGPUSKA-UHFFFAOYSA-N -2 0 351.340 0.574 20 0 FCADRL CCO[C@@H]1C[C@](NS(=O)(=O)CC2(C(=O)[O-])CCC2)(C(=O)[O-])C1(C)C ZINC001605606555 1288031378 /nfs/dbraw/zinc/03/13/78/1288031378.db2.gz VEMWCWLFCLOLCK-BMIGLBTASA-N -2 0 363.432 0.819 20 0 FCADRL CCOc1cc(C(=O)NCCCc2n[nH]c(=O)[n-]2)ccc1OCC(=O)[O-] ZINC001605658994 1288046162 /nfs/dbraw/zinc/04/61/62/1288046162.db2.gz GZRXNEXMHKRORU-UHFFFAOYSA-N -2 0 364.358 0.735 20 0 FCADRL CCc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)nn1C ZINC001605785732 1288085651 /nfs/dbraw/zinc/08/56/51/1288085651.db2.gz GTVSDRANNRFGAZ-UHFFFAOYSA-N -2 0 351.384 0.941 20 0 FCADRL CCc1ocnc1C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001605895167 1288100937 /nfs/dbraw/zinc/10/09/37/1288100937.db2.gz NVSAPTDJICNQPP-UHFFFAOYSA-N -2 0 368.367 0.991 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC001606104519 1288166321 /nfs/dbraw/zinc/16/63/21/1288166321.db2.gz AXGIVWVKLRSUAQ-UHFFFAOYSA-N -2 0 370.427 0.756 20 0 FCADRL CNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001606261324 1288240846 /nfs/dbraw/zinc/24/08/46/1288240846.db2.gz LKMRUXNWPYXIEN-JTQLQIEISA-N -2 0 353.356 0.008 20 0 FCADRL CNS(=O)(=O)c1cc(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)ccc1[O-] ZINC001606304111 1288260183 /nfs/dbraw/zinc/26/01/83/1288260183.db2.gz AAEMGJXIHNWTHR-GXSJLCMTSA-N -2 0 372.399 0.509 20 0 FCADRL COC(=O)C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C)C(=O)[O-] ZINC001606442680 1288321687 /nfs/dbraw/zinc/32/16/87/1288321687.db2.gz ZWSVGGXOMVCYNM-SNVBAGLBSA-N -2 0 359.356 0.296 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2nc(C)n(C)n2)c(C(=O)[O-])s1 ZINC001606570852 1288390764 /nfs/dbraw/zinc/39/07/64/1288390764.db2.gz MTJVWGBWQCWNGI-UHFFFAOYSA-N -2 0 360.373 0.471 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001606579857 1288393465 /nfs/dbraw/zinc/39/34/65/1288393465.db2.gz SFNSBKMRKQNWFQ-SFYZADRCSA-N -2 0 359.356 0.559 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001606583110 1288395900 /nfs/dbraw/zinc/39/59/00/1288395900.db2.gz HSJXMDQAPZNBPL-SFYZADRCSA-N -2 0 359.356 0.559 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])CC1CC1 ZINC001606583678 1288396090 /nfs/dbraw/zinc/39/60/90/1288396090.db2.gz SVVHAGHWDGCARM-UHFFFAOYSA-N -2 0 371.367 0.657 20 0 FCADRL COC(=O)c1ccc(NC(=O)C(=O)[N-]OC/C=C/Cl)cc1C(=O)[O-] ZINC001606594980 1288400223 /nfs/dbraw/zinc/40/02/23/1288400223.db2.gz LWFAVHAWNOEYAL-GORDUTHDSA-N -2 0 356.718 0.910 20 0 FCADRL CO[C@H](C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(=O)[O-])C1CC1 ZINC001606667844 1288429949 /nfs/dbraw/zinc/42/99/49/1288429949.db2.gz CPPGZUABSYSAFP-GHMZBOCLSA-N -2 0 361.372 0.833 20 0 FCADRL COC[C@](C)([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F)C(=O)[O-] ZINC001606791226 1288520079 /nfs/dbraw/zinc/52/00/79/1288520079.db2.gz IHVJODDWIJZYOI-AMXDTQDGSA-N -2 0 368.408 0.607 20 0 FCADRL COCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-])C(=O)[O-] ZINC001606862701 1288542470 /nfs/dbraw/zinc/54/24/70/1288542470.db2.gz CBYLFIBFBYPUDP-VIFPVBQESA-N -2 0 351.764 0.806 20 0 FCADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC001606943006 1288571642 /nfs/dbraw/zinc/57/16/42/1288571642.db2.gz XWOUKYBJKDOSKR-ZWNOBZJWSA-N -2 0 373.383 0.299 20 0 FCADRL O=C(c1ncccc1O)N1CCC[C@H](Nc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001607034032 1288604896 /nfs/dbraw/zinc/60/48/96/1288604896.db2.gz QTHFQBIBWUIJDE-JTQLQIEISA-N -2 0 367.373 0.474 20 0 FCADRL COc1ccc(-n2ccc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])n2)cc1 ZINC001607199383 1288683129 /nfs/dbraw/zinc/68/31/29/1288683129.db2.gz JWFJMDUTMBFZFA-SECBINFHSA-N -2 0 353.356 0.414 20 0 FCADRL COc1cccnc1CC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001607349166 1288700519 /nfs/dbraw/zinc/70/05/19/1288700519.db2.gz VCTSDTGWOKZFCR-UHFFFAOYSA-N -2 0 357.369 0.293 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cnn1-c1ccccc1F ZINC001607508273 1288721828 /nfs/dbraw/zinc/72/18/28/1288721828.db2.gz CDIYECVAEKAMON-VIFPVBQESA-N -2 0 355.347 0.853 20 0 FCADRL Cc1oc(C(=O)[O-])cc1C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001608032625 1288761740 /nfs/dbraw/zinc/76/17/40/1288761740.db2.gz OFXVPCUHURASMX-SNVBAGLBSA-N -2 0 364.354 0.824 20 0 FCADRL Cc1sc(=O)n(CCC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1C ZINC001608059104 1288763669 /nfs/dbraw/zinc/76/36/69/1288763669.db2.gz ZYCJJGDMDCQMTO-UHFFFAOYSA-N -2 0 364.445 0.474 20 0 FCADRL Cn1ccnc1[C@@H]([N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)C(F)(F)F ZINC001608130930 1288776928 /nfs/dbraw/zinc/77/69/28/1288776928.db2.gz CLPRLLFLQYNZQV-SECBINFHSA-N -2 0 370.353 0.655 20 0 FCADRL Cn1cnc2c1nccc2C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001608135529 1288778084 /nfs/dbraw/zinc/77/80/84/1288778084.db2.gz VPUVGKDNMMJCTL-UHFFFAOYSA-N -2 0 367.368 0.242 20 0 FCADRL Cn1ncc2c1C[C@H](C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-])CC2 ZINC001608160421 1288784398 /nfs/dbraw/zinc/78/43/98/1288784398.db2.gz JYOUTAYAQQQDKI-SSDOTTSWSA-N -2 0 370.412 0.185 20 0 FCADRL NC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)n1 ZINC001608237394 1288799098 /nfs/dbraw/zinc/79/90/98/1288799098.db2.gz YGIGNNSOBAZNFW-UHFFFAOYSA-N -2 0 364.383 0.285 20 0 FCADRL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001608245609 1288802094 /nfs/dbraw/zinc/80/20/94/1288802094.db2.gz OGGNALCBNARARM-GHMZBOCLSA-N -2 0 354.384 0.481 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC001608262672 1288808495 /nfs/dbraw/zinc/80/84/95/1288808495.db2.gz LVSWXTRZPPSZFS-CYBMUJFWSA-N -2 0 350.352 0.595 20 0 FCADRL O=C([O-])[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)c1cc(F)ccc1F ZINC001608306173 1288816705 /nfs/dbraw/zinc/81/67/05/1288816705.db2.gz HJGWBNDZWHKBQL-NSHDSACASA-N -2 0 356.285 0.690 20 0 FCADRL O=C(CCOC1CCOCC1)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001608311873 1288817627 /nfs/dbraw/zinc/81/76/27/1288817627.db2.gz SQNYAHWRGMXVDG-UHFFFAOYSA-N -2 0 364.401 0.232 20 0 FCADRL O=C([O-])c1occc1CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001608341995 1288826745 /nfs/dbraw/zinc/82/67/45/1288826745.db2.gz OAZLRJCABCUQQX-UHFFFAOYSA-N -2 0 374.321 0.851 20 0 FCADRL O=C([O-])c1cn(CC(=O)[N-]S(=O)(=O)N2CCCC2)c2ccccc12 ZINC001608373724 1288832152 /nfs/dbraw/zinc/83/21/52/1288832152.db2.gz JPDXECWIERNFSY-UHFFFAOYSA-N -2 0 351.384 0.796 20 0 FCADRL O=C([O-])c1cc2c(cc1NC(=O)C(=O)[N-]OCC(F)(F)F)OCO2 ZINC001608484989 1288848631 /nfs/dbraw/zinc/84/86/31/1288848631.db2.gz XSEQCEJGQZHHHX-UHFFFAOYSA-N -2 0 350.205 0.662 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)c2ocnc2C(F)F)CC1 ZINC001608484869 1288849448 /nfs/dbraw/zinc/84/94/48/1288849448.db2.gz MPXQAYVDYUBNRE-UHFFFAOYSA-N -2 0 353.303 0.383 20 0 FCADRL O=C([O-])[C@H](CC1OCCO1)[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC001608537473 1288855365 /nfs/dbraw/zinc/85/53/65/1288855365.db2.gz XESNSCRBRGXKCT-VIFPVBQESA-N -2 0 355.290 0.598 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)C[C@]12CCOC2 ZINC001608645264 1288861381 /nfs/dbraw/zinc/86/13/81/1288861381.db2.gz NGWIYJVDNGVQHY-ABAIWWIYSA-N -2 0 361.416 0.384 20 0 FCADRL O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC001608694575 1288866044 /nfs/dbraw/zinc/86/60/44/1288866044.db2.gz INPGLLSIQJJMEY-KGYLQXTDSA-N -2 0 352.387 0.269 20 0 FCADRL O=C([O-])CCCS(=O)(=O)N1CCN(C(=O)c2ccccc2O)CC1 ZINC001608717846 1288869188 /nfs/dbraw/zinc/86/91/88/1288869188.db2.gz CINTUSVDJVDRSG-UHFFFAOYSA-N -2 0 356.400 0.345 20 0 FCADRL O=C([O-])c1noc2c1CN(S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)CC2 ZINC001608860034 1288876931 /nfs/dbraw/zinc/87/69/31/1288876931.db2.gz SFODESPUDTXYIT-UHFFFAOYSA-N -2 0 370.314 0.957 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H](O)COc2ccc(F)cc2)on1 ZINC001608860863 1288877392 /nfs/dbraw/zinc/87/73/92/1288877392.db2.gz DMXSILLGXCCHSK-SECBINFHSA-N -2 0 360.319 0.230 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCN2CC(F)(F)F)on1 ZINC001608861112 1288877549 /nfs/dbraw/zinc/87/75/49/1288877549.db2.gz QEMYLORJZKNOQI-SSDOTTSWSA-N -2 0 357.310 0.678 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)c2cn(C3CC3)nn2)c1 ZINC001608932572 1288880112 /nfs/dbraw/zinc/88/01/12/1288880112.db2.gz QIMPFKOOUZDUBN-UHFFFAOYSA-N -2 0 350.356 0.571 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC001608931963 1288880263 /nfs/dbraw/zinc/88/02/63/1288880263.db2.gz FJTGABDPBGECFH-GFCCVEGCSA-N -2 0 366.399 0.918 20 0 FCADRL CC(C)COCCC(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001609096570 1288916771 /nfs/dbraw/zinc/91/67/71/1288916771.db2.gz JFONGELWEOVHIJ-UHFFFAOYSA-N -2 0 361.362 0.721 20 0 FCADRL CC(C)c1nc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)o2)cn1C ZINC001609105915 1288921738 /nfs/dbraw/zinc/92/17/38/1288921738.db2.gz GGLMEUQMZVKZCA-UHFFFAOYSA-N -2 0 365.375 0.435 20 0 FCADRL C[C@](O)(C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CCC1 ZINC001609127014 1288934045 /nfs/dbraw/zinc/93/40/45/1288934045.db2.gz RNIMWTNTKLJGSD-OAHLLOKOSA-N -2 0 359.346 0.209 20 0 FCADRL CCC(CC)(CNS(=O)(=O)c1cccnc1-c1nnn[n-]1)C(=O)[O-] ZINC001609189070 1288976934 /nfs/dbraw/zinc/97/69/34/1288976934.db2.gz SFVYAGBPHREILS-UHFFFAOYSA-N -2 0 354.392 0.431 20 0 FCADRL CC[C@H]1CC[C@@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)O1 ZINC001609198952 1288983050 /nfs/dbraw/zinc/98/30/50/1288983050.db2.gz LZFOQYOMMWZXKG-ONGXEEELSA-N -2 0 359.346 0.616 20 0 FCADRL O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1ccc2[n-]c(=S)oc2c1 ZINC001609552503 1289219608 /nfs/dbraw/zinc/21/96/08/1289219608.db2.gz NVFXKMWGDSXMLS-UHFFFAOYSA-N -2 0 357.359 0.318 20 0 FCADRL O=C([O-])[C@@H](CC1CCCC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609571576 1289233422 /nfs/dbraw/zinc/23/34/22/1289233422.db2.gz NOOFRPIOQCUBRX-SECBINFHSA-N -2 0 355.376 0.772 20 0 FCADRL CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001609591035 1289249184 /nfs/dbraw/zinc/24/91/84/1289249184.db2.gz DPHOLIYYBXOIPK-LBPRGKRZSA-N -2 0 369.399 0.416 20 0 FCADRL CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001609622289 1289265600 /nfs/dbraw/zinc/26/56/00/1289265600.db2.gz MEDDIRNJGSOBRP-QMMMGPOBSA-N -2 0 363.417 0.197 20 0 FCADRL CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001609621497 1289265618 /nfs/dbraw/zinc/26/56/18/1289265618.db2.gz LDIRLWASOWMIGF-SNVBAGLBSA-N -2 0 372.399 0.293 20 0 FCADRL CC(=O)Nc1ccc(S[C@H](C)C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1 ZINC001609625450 1289267592 /nfs/dbraw/zinc/26/75/92/1289267592.db2.gz WVWVAERCQVQJMR-MRVPVSSYSA-N -2 0 360.413 0.656 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCNC(=O)c1cccnc1 ZINC001609638326 1289269874 /nfs/dbraw/zinc/26/98/74/1289269874.db2.gz DIQDZHAZXLSPPB-GHMZBOCLSA-N -2 0 371.415 0.147 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1ccncc1 ZINC001609639077 1289270685 /nfs/dbraw/zinc/27/06/85/1289270685.db2.gz QKVVVFIPFIORJJ-ZJUUUORDSA-N -2 0 366.399 0.651 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2ccnn2)cc1 ZINC001609638927 1289270800 /nfs/dbraw/zinc/27/08/00/1289270800.db2.gz OHZHFNBBYIVDTK-UWVGGRQHSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(-n2ccnn2)cc1 ZINC001609638926 1289270831 /nfs/dbraw/zinc/27/08/31/1289270831.db2.gz OHZHFNBBYIVDTK-NXEZZACHSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCc1cccc2c1OCO2 ZINC001609638703 1289270865 /nfs/dbraw/zinc/27/08/65/1289270865.db2.gz JSYQJSWBRPJKBT-ZJUUUORDSA-N -2 0 357.384 0.903 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cncc(OCC(F)F)c1 ZINC001609639487 1289271018 /nfs/dbraw/zinc/27/10/18/1289271018.db2.gz YLALARPDJDRRLE-YUMQZZPRSA-N -2 0 366.342 0.894 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1nn(C)cc1Br ZINC001609639379 1289271063 /nfs/dbraw/zinc/27/10/63/1289271063.db2.gz WHTRPPWONYEREF-PHDIDXHHSA-N -2 0 368.209 0.351 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCN1C(=O)CCc2ccccc21 ZINC001609642493 1289271555 /nfs/dbraw/zinc/27/15/55/1289271555.db2.gz TWMGULKGZHSHEV-SNVBAGLBSA-N -2 0 354.384 0.275 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCc1nnc(-c2ccsc2)o1 ZINC001609642436 1289271577 /nfs/dbraw/zinc/27/15/77/1289271577.db2.gz RIZBQVPXQIMAJT-SSDOTTSWSA-N -2 0 359.385 0.650 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC001609644355 1289272420 /nfs/dbraw/zinc/27/24/20/1289272420.db2.gz YFENOJOBDGTEBZ-SNVBAGLBSA-N -2 0 363.395 0.894 20 0 FCADRL CC(C)(C)OC[C@H](NS(=O)(=O)c1scnc1C(=O)[O-])C(=O)[O-] ZINC001609668808 1289278109 /nfs/dbraw/zinc/27/81/09/1289278109.db2.gz QPWVERAUPZYBOC-LURJTMIESA-N -2 0 352.390 0.388 20 0 FCADRL CC(C)C[C@@H](CNC(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)C(=O)[O-] ZINC001609692039 1289280793 /nfs/dbraw/zinc/28/07/93/1289280793.db2.gz ALZHTGMRPNOIGR-RYUDHWBXSA-N -2 0 354.403 0.563 20 0 FCADRL CC(C)Cn1ncc2cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cnc21 ZINC001609703615 1289282342 /nfs/dbraw/zinc/28/23/42/1289282342.db2.gz YNBYOLHUNCIWRR-VIFPVBQESA-N -2 0 354.388 0.620 20 0 FCADRL C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC001609734490 1289288165 /nfs/dbraw/zinc/28/81/65/1289288165.db2.gz ANVXGRGLXIKAQV-QMMMGPOBSA-N -2 0 365.791 0.884 20 0 FCADRL C[C@@H](OCc1ccccc1)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001609801799 1289301635 /nfs/dbraw/zinc/30/16/35/1289301635.db2.gz LHDMDJRYVLPMCV-GFCCVEGCSA-N -2 0 370.427 0.749 20 0 FCADRL C[C@]1(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])CCCN1C(=O)c1ccccc1 ZINC001609810006 1289302289 /nfs/dbraw/zinc/30/22/89/1289302289.db2.gz ACUGMZAGFBTALG-MRXNPFEDSA-N -2 0 368.411 0.602 20 0 FCADRL CC[C@@H](NC(=O)c1cccc(C(=O)N[C@H](CC)C(=O)OC)c1[O-])C(=O)[O-] ZINC001609929340 1289330424 /nfs/dbraw/zinc/33/04/24/1289330424.db2.gz ZJSLLALTVFQECV-VXGBXAGGSA-N -2 0 366.370 0.667 20 0 FCADRL CCCN1C[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CC1=O ZINC001609979358 1289335471 /nfs/dbraw/zinc/33/54/71/1289335471.db2.gz XQEUDBSQYKASAA-CYBMUJFWSA-N -2 0 368.411 0.589 20 0 FCADRL CCCNC(=O)Nc1ccc(CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1 ZINC001609980682 1289335973 /nfs/dbraw/zinc/33/59/73/1289335973.db2.gz UYCLMHUDDWYSKP-JTQLQIEISA-N -2 0 371.415 0.680 20 0 FCADRL CCN(C)C(=O)c1cccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC001609990382 1289337720 /nfs/dbraw/zinc/33/77/20/1289337720.db2.gz IZBBSJPZCGFUFX-QWRGUYRKSA-N -2 0 370.427 0.947 20 0 FCADRL CCN(C)C(=O)c1cccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001609990378 1289337846 /nfs/dbraw/zinc/33/78/46/1289337846.db2.gz IZBBSJPZCGFUFX-GHMZBOCLSA-N -2 0 370.427 0.947 20 0 FCADRL CCOC(=O)c1[nH]c(=O)n(-c2cccc(CSCC(=O)[O-])c2)c1[O-] ZINC001610015178 1289345854 /nfs/dbraw/zinc/34/58/54/1289345854.db2.gz VVKZZKCWEPLDIS-GFCCVEGCSA-N -2 0 352.368 0.992 20 0 FCADRL CCO[C@@H]1C[C@@](NS(=O)(=O)c2cc(C(=O)[O-])co2)(C(=O)[O-])C1(C)C ZINC001610027824 1289350915 /nfs/dbraw/zinc/35/09/15/1289350915.db2.gz AIOMXQXVBBNCNM-YMTOWFKASA-N -2 0 361.372 0.915 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])n2C)cn1 ZINC001610044243 1289356166 /nfs/dbraw/zinc/35/61/66/1289356166.db2.gz HXXNNXBXBWMAPH-UHFFFAOYSA-N -2 0 353.356 0.636 20 0 FCADRL CCc1nc(CC(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])cs1 ZINC001610073898 1289363552 /nfs/dbraw/zinc/36/35/52/1289363552.db2.gz FQNVYOUJMUBDSX-UHFFFAOYSA-N -2 0 361.426 0.908 20 0 FCADRL CCn1cc(-c2nn(C)cc2C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cn1 ZINC001610084995 1289365584 /nfs/dbraw/zinc/36/55/84/1289365584.db2.gz HGZNSWVHLXSMML-UHFFFAOYSA-N -2 0 369.403 0.228 20 0 FCADRL CN(C)c1cc(C(=O)[O-])ccc1NC(=O)C(=O)[N-]O[C@@H]1CCCCO1 ZINC001610104385 1289375321 /nfs/dbraw/zinc/37/53/21/1289375321.db2.gz IKOGKGXQWKSRRJ-CYBMUJFWSA-N -2 0 351.359 0.964 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N1CCc2ccccc2[C@H]1CC(=O)[O-] ZINC001610114437 1289379084 /nfs/dbraw/zinc/37/90/84/1289379084.db2.gz PMUUPSXKDFNJIZ-CYBMUJFWSA-N -2 0 356.400 0.712 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1C ZINC001610142406 1289395129 /nfs/dbraw/zinc/39/51/29/1289395129.db2.gz PWNQKNDXICBGDL-UHFFFAOYSA-N -2 0 370.362 0.576 20 0 FCADRL COC(=O)c1cnccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001610219219 1289429646 /nfs/dbraw/zinc/42/96/46/1289429646.db2.gz QGMOXMOFDFAEKK-UHFFFAOYSA-N -2 0 354.315 0.928 20 0 FCADRL COc1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc2c1OCCO2 ZINC001610282152 1289449949 /nfs/dbraw/zinc/44/99/49/1289449949.db2.gz GBBFOKFXKXHAFN-UHFFFAOYSA-N -2 0 373.383 0.637 20 0 FCADRL COc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001610298197 1289454534 /nfs/dbraw/zinc/45/45/34/1289454534.db2.gz GRQLJNPSAGHKLF-SKDRFNHKSA-N -2 0 364.354 0.901 20 0 FCADRL COc1cccc(OCC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001610358531 1289469100 /nfs/dbraw/zinc/46/91/00/1289469100.db2.gz IKQVDBGPYFLUOA-UHFFFAOYSA-N -2 0 372.399 0.232 20 0 FCADRL COc1ncc(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)cn1 ZINC001610370593 1289471106 /nfs/dbraw/zinc/47/11/06/1289471106.db2.gz HYGXOYYNRSBIOJ-UHFFFAOYSA-N -2 0 351.340 0.443 20 0 FCADRL COc1ncc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])cc1Cl ZINC001610370935 1289471241 /nfs/dbraw/zinc/47/12/41/1289471241.db2.gz MRRWRVAJAAXSPW-RQJHMYQMSA-N -2 0 350.780 0.912 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N[C@H](Cc1ccncn1)C(=O)[O-] ZINC001610408899 1289482342 /nfs/dbraw/zinc/48/23/42/1289482342.db2.gz QPIPOPDBQHQXCX-GFCCVEGCSA-N -2 0 365.367 0.457 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])nn1-c1ccc(F)cc1 ZINC001610436595 1289487076 /nfs/dbraw/zinc/48/70/76/1289487076.db2.gz CIJGXFIYRKSFEV-VIFPVBQESA-N -2 0 355.347 0.853 20 0 FCADRL Cc1cc(-c2noc(CCC(=O)[N-]S(=O)(=O)CC(=O)[O-])n2)ccc1F ZINC001610431020 1289487313 /nfs/dbraw/zinc/48/73/13/1289487313.db2.gz WTOMLGQGRGHYTO-UHFFFAOYSA-N -2 0 371.346 0.647 20 0 FCADRL Cc1cc(C)cc(OCC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001610455724 1289488949 /nfs/dbraw/zinc/48/89/49/1289488949.db2.gz USOYNJFTIFMKKC-UHFFFAOYSA-N -2 0 370.427 0.840 20 0 FCADRL Cc1cc(C)n(C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)C(=O)[O-])n1 ZINC001610456419 1289489676 /nfs/dbraw/zinc/48/96/76/1289489676.db2.gz XPDKWJJUCHPPKR-SNVBAGLBSA-N -2 0 373.412 0.691 20 0 FCADRL Cc1cc(OCC(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)no1 ZINC001610477176 1289493232 /nfs/dbraw/zinc/49/32/32/1289493232.db2.gz IBSBGZJJXGHICK-UHFFFAOYSA-N -2 0 354.340 0.706 20 0 FCADRL Cc1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)[C@H]2C(=O)[O-])c1C(=O)[O-] ZINC001610525483 1289501793 /nfs/dbraw/zinc/50/17/93/1289501793.db2.gz YWBRJPMOXYKGCF-KWBADKCTSA-N -2 0 357.384 0.944 20 0 FCADRL Cc1cnn(C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)C(=O)[O-])c1 ZINC001610542193 1289504186 /nfs/dbraw/zinc/50/41/86/1289504186.db2.gz XRLRACUWSAOYLY-VIFPVBQESA-N -2 0 359.385 0.383 20 0 FCADRL Cc1nn(C)c(C)c1OCC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001610568557 1289512846 /nfs/dbraw/zinc/51/28/46/1289512846.db2.gz MCQNJRWZRWZKBI-UHFFFAOYSA-N -2 0 374.400 0.076 20 0 FCADRL Cc1nn(C)c(C)c1[C@H](C)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001610569246 1289513157 /nfs/dbraw/zinc/51/31/57/1289513157.db2.gz TYNDHFYCOKRQLR-VIFPVBQESA-N -2 0 372.447 0.298 20 0 FCADRL Cc1oc(CN(C)C(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001610579778 1289515332 /nfs/dbraw/zinc/51/53/32/1289515332.db2.gz LYORMKOPMSIMQF-KOLCDFICSA-N -2 0 366.370 0.814 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)CCCC(=O)NC(C)C ZINC001610581138 1289516576 /nfs/dbraw/zinc/51/65/76/1289516576.db2.gz HKRQRMSYXVBWKH-UHFFFAOYSA-N -2 0 360.388 0.786 20 0 FCADRL Cn1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC001610600497 1289522807 /nfs/dbraw/zinc/52/28/07/1289522807.db2.gz VBTLXRKJBLUMDO-UHFFFAOYSA-N -2 0 365.411 0.950 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2O[C@H]2CC(=O)N2)cc1C(=O)[O-] ZINC001610606909 1289525624 /nfs/dbraw/zinc/52/56/24/1289525624.db2.gz NPOPONFLCWGAHZ-AWEZNQCLSA-N -2 0 365.367 0.749 20 0 FCADRL NC(=O)CCCCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001610636355 1289535893 /nfs/dbraw/zinc/53/58/93/1289535893.db2.gz DJGZGWBNKPKASQ-UHFFFAOYSA-N -2 0 362.791 0.889 20 0 FCADRL O=C([O-])[C@H](CF)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC001610681618 1289550707 /nfs/dbraw/zinc/55/07/07/1289550707.db2.gz PBAZIPFOPWCBLZ-NSHDSACASA-N -2 0 360.363 0.329 20 0 FCADRL O=C([O-])[C@H](CNC(=O)c1n[nH]c(=O)[n-]1)Oc1ccc(Br)cc1 ZINC001610688804 1289553690 /nfs/dbraw/zinc/55/36/90/1289553690.db2.gz TUSAOYYXIATCMK-QMMMGPOBSA-N -2 0 371.147 0.535 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)C[C@@H]1C(=O)[O-] ZINC001610744740 1289575274 /nfs/dbraw/zinc/57/52/74/1289575274.db2.gz LBFQYKMLOFDBQW-ZJUUUORDSA-N -3 0 363.388 0.069 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cc(Cc2ccccc2)n[nH]1 ZINC001610771536 1289585901 /nfs/dbraw/zinc/58/59/01/1289585901.db2.gz CVIPNEFBOGHBSZ-UHFFFAOYSA-N -2 0 351.384 0.925 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@@H](O)C1 ZINC001610775073 1289587329 /nfs/dbraw/zinc/58/73/29/1289587329.db2.gz HCTUMNYCDQXTBW-LLVKDONJSA-N -2 0 356.400 0.500 20 0 FCADRL O=C([O-])CNC(=O)Cc1ccc(NC(=O)NC2(CC(=O)[O-])CCC2)cc1 ZINC001610783409 1289591169 /nfs/dbraw/zinc/59/11/69/1289591169.db2.gz JQLHRZAGYKOVCL-UHFFFAOYSA-N -2 0 363.370 0.949 20 0 FCADRL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NC[C@H](O)C3CCC3)cc2)[nH]1 ZINC001610791522 1289594532 /nfs/dbraw/zinc/59/45/32/1289594532.db2.gz GPSRIHIQUHMFJR-HNNXBMFYSA-N -2 0 359.382 0.684 20 0 FCADRL O=C([O-])c1cc2c(cc1NS(=O)(=O)N1CCC(C(=O)[O-])CC1)OCO2 ZINC001610819150 1289601250 /nfs/dbraw/zinc/60/12/50/1289601250.db2.gz PMIGAMXTGMEWED-UHFFFAOYSA-N -2 0 372.355 0.567 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)cc1 ZINC001610829793 1289602339 /nfs/dbraw/zinc/60/23/39/1289602339.db2.gz LZQBYVNMUXYAKU-STQMWFEESA-N -2 0 357.384 0.372 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cc1F ZINC001610837879 1289603918 /nfs/dbraw/zinc/60/39/18/1289603918.db2.gz FLDZMWBAOHGTDC-QMMMGPOBSA-N -2 0 370.362 0.916 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)cc1=O ZINC001630784065 1290699512 /nfs/dbraw/zinc/69/95/12/1290699512.db2.gz XTODHQCKXBLKGO-MRXNPFEDSA-N -2 0 355.402 0.794 20 0 FCADRL CC(=O)N1CCc2ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc21 ZINC000392648723 836060809 /nfs/dbraw/zinc/06/08/09/836060809.db2.gz NGVUGSVYOMBLHC-GFCCVEGCSA-N -2 0 370.383 0.192 20 0 FCADRL Cn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC000751213180 836472058 /nfs/dbraw/zinc/47/20/58/836472058.db2.gz QXWHIRISQGHTRE-LLVKDONJSA-N -2 0 366.399 0.787 20 0 FCADRL CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)NCCOP(=O)([O-])[O-] ZINC001146214809 849548219 /nfs/dbraw/zinc/54/82/19/849548219.db2.gz MUFPWCQBFLLTGO-BBBLOLIVSA-N -2 0 350.308 0.610 20 0 FCADRL CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]2C(=O)NCCOP(=O)([O-])[O-] ZINC001146313908 849556256 /nfs/dbraw/zinc/55/62/56/849556256.db2.gz BNTFOOUPVFKPEP-GARJFASQSA-N -2 0 364.335 1.000 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1nc2c(Cl)nc3ccccc3n2n1 ZINC001149984238 849652416 /nfs/dbraw/zinc/65/24/16/849652416.db2.gz KCBWGXCYMSUROL-UHFFFAOYSA-N -2 0 371.677 0.770 20 0 FCADRL Nc1c2c(=O)nccc-2[n-]n1C(=O)c1sc(C(=O)[O-])c2c1OCCO2 ZINC001152714680 849722771 /nfs/dbraw/zinc/72/27/71/849722771.db2.gz IPOPGMDCVABNRM-UHFFFAOYSA-N -2 0 362.323 0.478 20 0 FCADRL CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001154155815 849780047 /nfs/dbraw/zinc/78/00/47/849780047.db2.gz WSNZOHXHRPRQOF-UHFFFAOYSA-N -2 0 355.199 0.895 20 0 FCADRL COC[C@@H](NC(=O)c1cc(Br)cc(F)c1[O-])c1nnn[n-]1 ZINC001155068108 849827422 /nfs/dbraw/zinc/82/74/22/849827422.db2.gz FMDORSCAZIHLOS-MRVPVSSYSA-N -2 0 360.143 0.924 20 0 FCADRL COC(=O)C1CCN(c2ccnc(NCCOP(=O)([O-])[O-])n2)CC1 ZINC001157790590 849995616 /nfs/dbraw/zinc/99/56/16/849995616.db2.gz AZBSRNGILIMUPE-UHFFFAOYSA-N -2 0 360.307 0.387 20 0 FCADRL O=P([O-])([O-])OCCNc1ncccc1S(=O)(=O)N1CCCCC1 ZINC001157795851 849995778 /nfs/dbraw/zinc/99/57/78/849995778.db2.gz OENOQZXQWODDHG-UHFFFAOYSA-N -2 0 365.348 0.777 20 0 FCADRL COC(=O)C1CCN(c2ncc(NCCOP(=O)([O-])[O-])cn2)CC1 ZINC001168590944 850590593 /nfs/dbraw/zinc/59/05/93/850590593.db2.gz DJPSWQPGLRHAGJ-UHFFFAOYSA-N -2 0 360.307 0.387 20 0 FCADRL COC(=O)c1ccc(S(C)(=O)=O)c(NCCOP(=O)([O-])[O-])c1 ZINC001168592205 850590856 /nfs/dbraw/zinc/59/08/56/850590856.db2.gz MYUKKOKDENGEBF-UHFFFAOYSA-N -2 0 353.289 0.398 20 0 FCADRL COC(=O)[N-]S(=O)(=O)c1ccc(Nc2cnn(CC(=O)[O-])c2)cc1 ZINC001176270436 850785357 /nfs/dbraw/zinc/78/53/57/850785357.db2.gz ABSNGHUWCDMNKH-UHFFFAOYSA-N -2 0 354.344 0.756 20 0 FCADRL O=C(CNC(=O)c1cnccc1C(F)(F)F)NCCOP(=O)([O-])[O-] ZINC001177752814 850868122 /nfs/dbraw/zinc/86/81/22/850868122.db2.gz YOVSVYJZTKJPML-UHFFFAOYSA-N -2 0 371.208 0.056 20 0 FCADRL COc1ccc(C2(C(=O)NCCOP(=O)([O-])[O-])CCOCC2)cc1 ZINC001180601186 851053153 /nfs/dbraw/zinc/05/31/53/851053153.db2.gz PJMVLRYDMJPXCO-UHFFFAOYSA-N -2 0 359.315 0.969 20 0 FCADRL CNC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185276246 851349439 /nfs/dbraw/zinc/34/94/39/851349439.db2.gz WVYFHOXKNMFCFU-UHFFFAOYSA-N -2 0 366.355 0.344 20 0 FCADRL COC(=O)c1nn(C)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186144222 851414305 /nfs/dbraw/zinc/41/43/05/851414305.db2.gz QKXKTBGRKCCGIU-UHFFFAOYSA-N -2 0 357.319 0.845 20 0 FCADRL CCOCCS(=O)(=O)[N-]c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC001187287290 851539948 /nfs/dbraw/zinc/53/99/48/851539948.db2.gz VXJYZAMDIWEPMR-UHFFFAOYSA-N -2 0 352.434 0.421 20 0 FCADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H]2SC(=O)[N-]C2=O)c1 ZINC001187591756 851582151 /nfs/dbraw/zinc/58/21/51/851582151.db2.gz OYGUSGUMRLDUJN-QMMMGPOBSA-N -2 0 350.761 0.626 20 0 FCADRL CCOC(=O)[C@H]1COCCN1C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189886243 851837046 /nfs/dbraw/zinc/83/70/46/851837046.db2.gz CFKZVMDECVKHLG-LLVKDONJSA-N -2 0 359.271 0.562 20 0 FCADRL O=C([O-])c1cc(C(=O)N2CCC[C@H](F)C(=O)C2)cc(S(=O)(=O)[O-])c1 ZINC001189914163 851841497 /nfs/dbraw/zinc/84/14/97/851841497.db2.gz FLVXFWRTMQXFQC-NSHDSACASA-N -2 0 359.331 0.775 20 0 FCADRL Nc1cc[nH]c(=O)c1NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189915893 851842876 /nfs/dbraw/zinc/84/28/76/851842876.db2.gz YSXGOIIDRHKEGE-UHFFFAOYSA-N -2 0 353.312 0.567 20 0 FCADRL CC(=O)N[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)C1 ZINC001189924424 851844524 /nfs/dbraw/zinc/84/45/24/851844524.db2.gz OSVREGIADTZESX-GFCCVEGCSA-N -2 0 370.383 0.372 20 0 FCADRL O=C([O-])c1cc(C(=O)N2CCC[C@H](CCO)C2)cc(S(=O)(=O)[O-])c1 ZINC001189924194 851844683 /nfs/dbraw/zinc/84/46/83/851844683.db2.gz LLPFYOSPZYSFOZ-SNVBAGLBSA-N -2 0 357.384 0.866 20 0 FCADRL N=C(NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1)c1nccs1 ZINC001189933928 851845486 /nfs/dbraw/zinc/84/54/86/851845486.db2.gz POIPQJJTBHVUGX-UHFFFAOYSA-N -2 0 355.353 0.843 20 0 FCADRL C[C@H]1COCCN1CCNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189941867 851847734 /nfs/dbraw/zinc/84/77/34/851847734.db2.gz SSZSNUZLHUJXLY-JTQLQIEISA-N -2 0 372.399 0.082 20 0 FCADRL NC(=O)[C@H]1[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1OP(=O)([O-])[O-])C2 ZINC001278366669 862306525 /nfs/dbraw/zinc/30/65/25/862306525.db2.gz PMNWIOREFYVLTE-DDFAGTSDSA-N -2 0 354.299 0.742 20 0 FCADRL O=C([O-])CCc1ccc(S(=O)(=O)NCC[N-]C(=O)C(F)(F)F)cc1 ZINC001192149314 852188816 /nfs/dbraw/zinc/18/88/16/852188816.db2.gz FJOBMXANTVWYJY-UHFFFAOYSA-N -2 0 368.333 0.661 20 0 FCADRL CCOc1ccc(S(=O)(=O)NCCOP(=O)([O-])[O-])cc1C(=O)[O-] ZINC001192660002 852270481 /nfs/dbraw/zinc/27/04/81/852270481.db2.gz KVMAXXQRXGDDIA-UHFFFAOYSA-N -3 0 369.288 0.171 20 0 FCADRL O=C([O-])COc1ccc(S(=O)(=O)NCCCC[P@](=O)([O-])O)cc1 ZINC001192743509 852287113 /nfs/dbraw/zinc/28/71/13/852287113.db2.gz KPHMHAKTJNSBFG-UHFFFAOYSA-N -2 0 367.316 0.386 20 0 FCADRL CC(C)(C)OC(=O)Nc1cnc(C(=O)NCCOP(=O)([O-])[O-])cn1 ZINC001195642897 852804361 /nfs/dbraw/zinc/80/43/61/852804361.db2.gz MHUOHVYMGXXQSE-UHFFFAOYSA-N -2 0 362.279 0.663 20 0 FCADRL COC(=O)c1cncc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[O-])cc2)c1 ZINC001201858082 853550786 /nfs/dbraw/zinc/55/07/86/853550786.db2.gz ODPDXEOHPGXWDI-UHFFFAOYSA-N -2 0 372.380 0.916 20 0 FCADRL O=C([O-])C[C@@H](C(=O)OCc1ccc(-c2csnn2)cc1)[C@@H](O)C(=O)[O-] ZINC001206468558 853691748 /nfs/dbraw/zinc/69/17/48/853691748.db2.gz JSTWHSOPURALCE-ZWNOBZJWSA-N -2 0 366.351 0.785 20 0 FCADRL COC(=O)[C@H](OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1cccc(Cl)c1 ZINC001223928669 856952051 /nfs/dbraw/zinc/95/20/51/856952051.db2.gz FKZREZBQMRYQNL-MVWJERBFSA-N -2 0 374.729 0.634 20 0 FCADRL CCOc1ccccc1OCCOC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001224494479 856984752 /nfs/dbraw/zinc/98/47/52/856984752.db2.gz PTKWCHIUTXDVAJ-QMTHXVAHSA-N -2 0 356.327 0.544 20 0 FCADRL COc1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc(OC)c1OC ZINC001225312198 857033430 /nfs/dbraw/zinc/03/34/30/857033430.db2.gz HJVXAWMERXLVKO-MRVPVSSYSA-N -2 0 352.232 0.088 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(C(F)(F)F)nc(=S)[nH]1)[C@@H](O)C(=O)[O-] ZINC001225850463 857066639 /nfs/dbraw/zinc/06/66/39/857066639.db2.gz KHDWLNMXZBBPGI-WVBDSBKLSA-N -2 0 370.261 0.226 20 0 FCADRL Cc1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(=O)n1CC1CC1 ZINC001225867214 857067553 /nfs/dbraw/zinc/06/75/53/857067553.db2.gz MRXHZBPIQNLBPE-BXUZGUMPSA-N -2 0 353.327 0.009 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(-c2csnn2)cc1)[C@H](O)C(=O)[O-] ZINC001226014245 857077237 /nfs/dbraw/zinc/07/72/37/857077237.db2.gz UIKJQYCDEKCWRJ-SKDRFNHKSA-N -2 0 352.324 0.647 20 0 FCADRL Cc1cc(C(F)(F)F)nc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001226175751 857087741 /nfs/dbraw/zinc/08/77/41/857087741.db2.gz ZRHMWJMEKKFCLO-XRGYYRRGSA-N -2 0 352.221 0.246 20 0 FCADRL CCc1cc2c(ncnc2OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])s1 ZINC001227100606 857140409 /nfs/dbraw/zinc/14/04/09/857140409.db2.gz KCKOMQWNNLZQTP-GMSGAONNSA-N -2 0 354.340 0.696 20 0 FCADRL CCOC(=O)c1ccc(F)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001227146922 857145960 /nfs/dbraw/zinc/14/59/60/857145960.db2.gz FAVWRVDDFOOALT-SECBINFHSA-N -2 0 352.207 0.378 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(=O)cc(C(F)(F)F)[n-]1)[C@@H](O)C(=O)[O-] ZINC001227584435 857166062 /nfs/dbraw/zinc/16/60/62/857166062.db2.gz RTPTWXXRBSLFOL-MLUIRONXSA-N -3 0 353.205 0.248 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1nc(Br)cs1)[C@@H](O)C(=O)[O-] ZINC001227675951 857169811 /nfs/dbraw/zinc/16/98/11/857169811.db2.gz OIPWFIADQVUMAF-AWFVSMACSA-N -2 0 354.134 0.347 20 0 FCADRL COC(=O)CCc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001227904157 857183308 /nfs/dbraw/zinc/18/33/08/857183308.db2.gz PUHINVFOJMHMRA-FZMZJTMJSA-N -2 0 354.311 0.234 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2cc(Cl)ccc21)[C@@H](O)C(=O)[O-] ZINC001227989895 857188686 /nfs/dbraw/zinc/18/86/86/857188686.db2.gz YYCTXUWGALXACE-GMSGAONNSA-N -3 0 370.701 0.431 20 0 FCADRL CCOC(=O)c1cc(O)cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001228038758 857189402 /nfs/dbraw/zinc/18/94/02/857189402.db2.gz ZXDMFLJHANGEBF-ZYHUDNBSSA-N -2 0 356.283 0.011 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1nc(Cl)nc2ccccc21)[C@H](O)C(=O)[O-] ZINC001228033893 857189546 /nfs/dbraw/zinc/18/95/46/857189546.db2.gz JUXRKCVXAFFDTG-XCBNKYQSSA-N -2 0 354.702 0.725 20 0 FCADRL COc1cc2c(cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])C=NCC2 ZINC001228093719 857191436 /nfs/dbraw/zinc/19/14/36/857191436.db2.gz ZXSPMXRCJCHDJT-IINYFYTJSA-N -2 0 351.311 0.112 20 0 FCADRL O=C(Oc1cc(-c2ccccc2)nc(=S)[nH]1)[C@H](O)COP(=O)([O-])[O-] ZINC001228348045 857205425 /nfs/dbraw/zinc/20/54/25/857205425.db2.gz YVQCTLALEFQKIH-SNVBAGLBSA-N -2 0 372.295 0.808 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(F)nc1Br)[C@@H](O)C(=O)[O-] ZINC001228614346 857218540 /nfs/dbraw/zinc/21/85/40/857218540.db2.gz OGOVWWNSLJCVRO-SPGJFGJESA-N -2 0 366.095 0.425 20 0 FCADRL CSc1nc2c(c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1)CCCC2 ZINC001229161603 857255404 /nfs/dbraw/zinc/25/54/04/857255404.db2.gz OVESZAWXJZZLNX-GZMMTYOYSA-N -2 0 370.383 0.519 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(Br)c(F)n1)[C@H](O)C(=O)[O-] ZINC001229237691 857260157 /nfs/dbraw/zinc/26/01/57/857260157.db2.gz AOOOGWGSJJQIQA-VHWMUFPASA-N -2 0 366.095 0.425 20 0 FCADRL Cc1nc2cnc(Cl)cc2c(OC(=O)[C@H](O)COP(=O)([O-])[O-])n1 ZINC001229276384 857262483 /nfs/dbraw/zinc/26/24/83/857262483.db2.gz DVPHGYWVIIXMLH-MRVPVSSYSA-N -2 0 363.650 0.362 20 0 FCADRL C[C@@H]1COCC[C@H]1Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-] ZINC001230143287 857307000 /nfs/dbraw/zinc/30/70/00/857307000.db2.gz COJXHIBILQFDLO-GMSGAONNSA-N -2 0 368.385 0.689 20 0 FCADRL C[C@H]1COC[C@@H]1Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-] ZINC001230145996 857307457 /nfs/dbraw/zinc/30/74/57/857307457.db2.gz HFYFPKBEGQSRLT-RCOVLWMOSA-N -2 0 354.358 0.299 20 0 FCADRL O=S(=O)([O-])c1cc(O)c(OC[C@H]2CCCO2)c(S(=O)(=O)[O-])c1 ZINC001230146325 857307466 /nfs/dbraw/zinc/30/74/66/857307466.db2.gz KGLJGUHDUCOUSP-SSDOTTSWSA-N -2 0 354.358 0.443 20 0 FCADRL COc1ccc2sc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc2c1 ZINC001230338815 857327333 /nfs/dbraw/zinc/32/73/33/857327333.db2.gz GELTVNHTXANXDR-HQJQHLMTSA-N -2 0 355.324 0.747 20 0 FCADRL COC(=O)c1cc(C)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1C ZINC001230527989 857343585 /nfs/dbraw/zinc/34/35/85/857343585.db2.gz LJZWYJGTLQBTNE-ZWNOBZJWSA-N -2 0 354.311 0.532 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc2c(Cl)ncnc2c1)[C@H](O)C(=O)[O-] ZINC001231115126 857356799 /nfs/dbraw/zinc/35/67/99/857356799.db2.gz KOVQMUSYYJCLEO-KCJUWKMLSA-N -2 0 354.702 0.725 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cnc2cc(F)c(F)cc2c1)[C@H](O)C(=O)[O-] ZINC001231141329 857356950 /nfs/dbraw/zinc/35/69/50/857356950.db2.gz AKMWEUBOIBDZHU-OQPBUACISA-N -2 0 355.249 0.955 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cnc(F)c(Br)c1)[C@@H](O)C(=O)[O-] ZINC001233670636 857389029 /nfs/dbraw/zinc/38/90/29/857389029.db2.gz PPAQJYFFSXDOKM-SVGQVSJJSA-N -2 0 366.095 0.425 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1nc(Cl)nc2ccsc21)[C@H](O)C(=O)[O-] ZINC001233877962 857391043 /nfs/dbraw/zinc/39/10/43/857391043.db2.gz INUYFRYXEUEBEZ-FFWSUHOLSA-N -2 0 360.731 0.787 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ncnc2ccc(F)c(F)c21)[C@@H](O)C(=O)[O-] ZINC001234027285 857394979 /nfs/dbraw/zinc/39/49/79/857394979.db2.gz SKDKJXMNTZAGKO-BLTYZCFWSA-N -2 0 356.237 0.350 20 0 FCADRL O=C(Oc1ncnc2cc(F)c(F)cc21)[C@H](O)COP(=O)([O-])[O-] ZINC001234030372 857395218 /nfs/dbraw/zinc/39/52/18/857395218.db2.gz DZISGONFCKYTPF-SECBINFHSA-N -2 0 350.170 0.284 20 0 FCADRL CC(C)Oc1ncc(Cl)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234311441 857401027 /nfs/dbraw/zinc/40/10/27/857401027.db2.gz JMZVCXRGMDKPDU-KCJUWKMLSA-N -2 0 361.734 0.964 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc([C@@H]2CCC(=O)N2)cc1)[C@H](O)C(=O)[O-] ZINC001234485742 857406962 /nfs/dbraw/zinc/40/69/62/857406962.db2.gz KDUVJMHUZQPFRQ-MJVIPROJSA-N -2 0 351.311 0.080 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(Cl)c2c1CCC2=O)[C@@H](O)C(=O)[O-] ZINC001234507451 857408081 /nfs/dbraw/zinc/40/80/81/857408081.db2.gz HGXGXEYHNLUSGL-FUXBKTLASA-N -2 0 356.714 0.911 20 0 FCADRL CC(=O)n1ncc2cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccc21 ZINC001234871719 857415154 /nfs/dbraw/zinc/41/51/54/857415154.db2.gz MFQYIMAWQRVYNF-ZWNOBZJWSA-N -2 0 350.283 0.138 20 0 FCADRL CC(C)(C)[C@@H](O)CNc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001253735963 857909619 /nfs/dbraw/zinc/90/96/19/857909619.db2.gz RHJMZGNVWUULJF-NSHDSACASA-N -2 0 353.418 0.999 20 0 FCADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(N)=O)cc1 ZINC001258659363 858209673 /nfs/dbraw/zinc/20/96/73/858209673.db2.gz JEVZVOWHUHLOAK-UHFFFAOYSA-N -2 0 374.400 0.449 20 0 FCADRL COC(=O)c1cncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC001260209703 858353800 /nfs/dbraw/zinc/35/38/00/858353800.db2.gz RKBIEOVADYVLNQ-UHFFFAOYSA-N -2 0 355.303 0.901 20 0 FCADRL COC(=O)c1ccnnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260210443 858354985 /nfs/dbraw/zinc/35/49/85/858354985.db2.gz WSMDCHDUPNYMAI-UHFFFAOYSA-N -2 0 355.303 0.901 20 0 FCADRL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cn1C ZINC001260393269 858365675 /nfs/dbraw/zinc/36/56/75/858365675.db2.gz DQMQGGKSTIDTEE-UHFFFAOYSA-N -2 0 369.355 0.801 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc(OC3COC3)nc2)ccc1O ZINC001260392925 858365856 /nfs/dbraw/zinc/36/58/56/858365856.db2.gz VCRLBTBFTJNAQT-UHFFFAOYSA-N -2 0 367.339 0.459 20 0 FCADRL COC1CCN(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C(=O)[O-])CC1 ZINC001351662127 866935446 /nfs/dbraw/zinc/93/54/46/866935446.db2.gz HZUOPSTYSQRMEW-UHFFFAOYSA-N -2 0 358.372 0.851 20 0 FCADRL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001594786865 953676932 /nfs/dbraw/zinc/67/69/32/953676932.db2.gz JZDPKPAEMCTOFO-CQSZACIVSA-N -2 0 368.349 0.692 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCc1cnccn1 ZINC001594891100 954526239 /nfs/dbraw/zinc/52/62/39/954526239.db2.gz SZRPJCIPZQTHSB-CMPLNLGQSA-N -2 0 374.319 0.532 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCc1cnccn1 ZINC001594891104 954526748 /nfs/dbraw/zinc/52/67/48/954526748.db2.gz SZRPJCIPZQTHSB-PWSUYJOCSA-N -2 0 374.319 0.532 20 0 FCADRL CNc1ccc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])nc1 ZINC001593803410 954865996 /nfs/dbraw/zinc/86/59/96/954865996.db2.gz XZXORHOYGMYDQP-ONGXEEELSA-N -2 0 374.319 0.860 20 0 FCADRL CNc1ccc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])nc1 ZINC001593803408 954866164 /nfs/dbraw/zinc/86/61/64/954866164.db2.gz XZXORHOYGMYDQP-KOLCDFICSA-N -2 0 374.319 0.860 20 0 FCADRL Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)c3c[n-]n4c3nccc4=O)C2)cn1 ZINC001594536707 955580577 /nfs/dbraw/zinc/58/05/77/955580577.db2.gz GYRQZNMLBONUAS-GHMZBOCLSA-N -2 0 370.369 0.087 20 0 FCADRL Cc1ncc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c(C)n1 ZINC000852959274 955897260 /nfs/dbraw/zinc/89/72/60/955897260.db2.gz ZKTUWDZDVUMVAT-QWRGUYRKSA-N -2 0 374.319 0.830 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001594660015 956525608 /nfs/dbraw/zinc/52/56/08/956525608.db2.gz QBIOXATUUYVXFS-ZDUSSCGKSA-N -2 0 364.379 0.465 20 0 FCADRL C[C@H](C(=O)[O-])C(=O)Nc1nnc([N-]S(=O)(=O)c2ccccc2)s1 ZINC001573374421 958647779 /nfs/dbraw/zinc/64/77/79/958647779.db2.gz JAJWEAWPNPTVGX-ZETCQYMHSA-N -2 0 356.385 0.998 20 0 FCADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])cn1 ZINC001594139806 958728031 /nfs/dbraw/zinc/72/80/31/958728031.db2.gz UVXANQKPWROCHS-UHFFFAOYSA-N -2 0 353.356 0.551 20 0 FCADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c(C)c1 ZINC000392115952 972410497 /nfs/dbraw/zinc/41/04/97/972410497.db2.gz PIXWHQDXSOCMMZ-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL Cc1nnc(CC(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])o1 ZINC001594490388 959692644 /nfs/dbraw/zinc/69/26/44/959692644.db2.gz DAWZWILXPNRVEZ-XVKPBYJWSA-N -2 0 364.280 0.043 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c1 ZINC001574232706 960419047 /nfs/dbraw/zinc/41/90/47/960419047.db2.gz PPSLLXVKIDTMCF-NDHGSNPTSA-N -2 0 370.427 0.241 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC)cn1 ZINC000392815828 972527819 /nfs/dbraw/zinc/52/78/19/972527819.db2.gz PXDULBGDMNVYLL-UHFFFAOYSA-N -2 0 368.371 0.137 20 0 FCADRL CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CC1(C(=O)[O-])CCOCC1 ZINC001588738267 961138122 /nfs/dbraw/zinc/13/81/22/961138122.db2.gz HSAJUHQSMOJJCC-OAQYLSRUSA-N -2 0 356.466 0.599 20 0 FCADRL Cn1nc(C(=O)[O-])cc1C(=O)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC001574464914 961561990 /nfs/dbraw/zinc/56/19/90/961561990.db2.gz FUEXSZOBLVJPKD-JTQLQIEISA-N -2 0 356.342 0.656 20 0 FCADRL COC[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)C1 ZINC001574133354 962553769 /nfs/dbraw/zinc/55/37/69/962553769.db2.gz IMGPCFMAVKUXRK-OAHLLOKOSA-N -2 0 374.390 0.761 20 0 FCADRL COc1cccc([C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)N(C)C)c1 ZINC000315835970 963941299 /nfs/dbraw/zinc/94/12/99/963941299.db2.gz VIZAXOJNKNHHTP-CYBMUJFWSA-N -2 0 369.399 0.963 20 0 FCADRL CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)ccc1[O-] ZINC001604249106 972775941 /nfs/dbraw/zinc/77/59/41/972775941.db2.gz QPTYUYYBKBPAIS-GXSJLCMTSA-N -2 0 372.399 0.509 20 0 FCADRL CNS(=O)(=O)c1cc(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)ccc1[O-] ZINC001604249107 972776070 /nfs/dbraw/zinc/77/60/70/972776070.db2.gz QPTYUYYBKBPAIS-KOLCDFICSA-N -2 0 372.399 0.509 20 0 FCADRL CO[C@@H](C(=O)[O-])C(=O)Nc1cccc(S(=O)(=O)[N-]c2ncccn2)c1 ZINC001604441147 973244226 /nfs/dbraw/zinc/24/42/26/973244226.db2.gz KIETXGWSROPGMC-LLVKDONJSA-N -2 0 366.355 0.316 20 0 FCADRL Cn1ccnc1[C@H]([N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-])C(F)(F)F ZINC001605511922 973692377 /nfs/dbraw/zinc/69/23/77/973692377.db2.gz IEXMGBKODBILQT-YUMQZZPRSA-N -2 0 356.326 0.407 20 0 FCADRL CC[C@H](O)[C@H](C)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001603585763 973755262 /nfs/dbraw/zinc/75/52/62/973755262.db2.gz BKNVNUDMIDJSQW-AATLWQCWSA-N -2 0 354.325 0.516 20 0 FCADRL COc1nc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])co1 ZINC001604907017 974174324 /nfs/dbraw/zinc/17/43/24/974174324.db2.gz VNGUFCJDXFAPIX-SVRRBLITSA-N -2 0 365.264 0.420 20 0 FCADRL CC(C)OC(=O)N1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001591681936 975472920 /nfs/dbraw/zinc/47/29/20/975472920.db2.gz ARUKQZBQMIWATQ-UHFFFAOYSA-N -2 0 361.376 0.661 20 0 FCADRL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC001591761218 975847492 /nfs/dbraw/zinc/84/74/92/975847492.db2.gz JKNACVZFBPPVJM-VIFPVBQESA-N -2 0 352.343 0.947 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001591861900 976158473 /nfs/dbraw/zinc/15/84/73/976158473.db2.gz FSVDXGPDLZBCLP-BBBLOLIVSA-N -2 0 354.325 0.543 20 0 FCADRL CC(C)c1nc(S(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])ccn2)cn1C ZINC001592030483 976736430 /nfs/dbraw/zinc/73/64/30/976736430.db2.gz PLIMVXJGOWBJRR-UHFFFAOYSA-N -2 0 352.372 0.755 20 0 FCADRL CC(C)n1c(=O)[nH]c2ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc21 ZINC001592117196 976919996 /nfs/dbraw/zinc/91/99/96/976919996.db2.gz NLRNEKKDEBMCCT-QMMMGPOBSA-N -2 0 355.372 0.856 20 0 FCADRL C[C@H](C[C@H]1CCCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC001592463888 978192219 /nfs/dbraw/zinc/19/22/19/978192219.db2.gz JBQOPAUODFCFFV-DGCLKSJQSA-N -2 0 362.448 0.993 20 0 FCADRL C[C@@H](CN(C)C(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2)C(=O)[O-] ZINC001592564421 978458607 /nfs/dbraw/zinc/45/86/07/978458607.db2.gz WVCMAHPHIHOSPL-ZETCQYMHSA-N -2 0 352.299 0.231 20 0 FCADRL C[C@@H](CN(C)C(=O)C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1)C(=O)[O-] ZINC001592564484 978459391 /nfs/dbraw/zinc/45/93/91/978459391.db2.gz YHAZMZQBTFRXKB-SGTLLEGYSA-N -2 0 362.382 0.420 20 0 FCADRL C[C@@H](CN(C)C(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)c1nnn[n-]1 ZINC001592574040 978468549 /nfs/dbraw/zinc/46/85/49/978468549.db2.gz BSVHISRAGXWSEK-IUCAKERBSA-N -2 0 356.383 0.130 20 0 FCADRL C[C@](CO)(CNS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-])CC(=O)[O-] ZINC001592730659 979250379 /nfs/dbraw/zinc/25/03/79/979250379.db2.gz YMNOOEHZKNDFGK-CYBMUJFWSA-N -2 0 365.791 0.790 20 0 FCADRL CCCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001595523231 981346736 /nfs/dbraw/zinc/34/67/36/981346736.db2.gz CNWVLGKHYPTKPK-JTQLQIEISA-N -2 0 358.372 0.574 20 0 FCADRL CCCC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001595523683 981348835 /nfs/dbraw/zinc/34/88/35/981348835.db2.gz OJDCNQHQJVWVIN-LLVKDONJSA-N -2 0 362.448 0.582 20 0 FCADRL CCOC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)n1 ZINC001596637682 984627583 /nfs/dbraw/zinc/62/75/83/984627583.db2.gz GFNLTVKCNUOALT-UHFFFAOYSA-N -2 0 357.344 0.847 20 0 FCADRL CCOC(=O)N[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)CC(C)C ZINC001596657793 984702214 /nfs/dbraw/zinc/70/22/14/984702214.db2.gz NXMRZVBBPDRAIK-SECBINFHSA-N -2 0 363.392 0.812 20 0 FCADRL CCOC(=O)c1cnc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)n1C ZINC001596739347 985032982 /nfs/dbraw/zinc/03/29/82/985032982.db2.gz ANSCDAUBTDNXBV-UHFFFAOYSA-N -2 0 357.344 0.997 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC001599940984 985454059 /nfs/dbraw/zinc/45/40/59/985454059.db2.gz BIXGQTLJMPFUCO-JQWIXIFHSA-N -2 0 357.370 0.860 20 0 FCADRL CC(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])cc1F ZINC001589186370 985572619 /nfs/dbraw/zinc/57/26/19/985572619.db2.gz OOZSTWGHZQXGFC-JGVFFNPUSA-N -2 0 360.363 0.953 20 0 FCADRL CC(=O)[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1(C)C ZINC001589230754 985777766 /nfs/dbraw/zinc/77/77/66/985777766.db2.gz FCQNMIOEBWFEKC-NWDGAFQWSA-N -2 0 360.432 0.395 20 0 FCADRL CCOCCCC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001596904998 985884630 /nfs/dbraw/zinc/88/46/30/985884630.db2.gz LYVNVZIFZAKNLR-UHFFFAOYSA-N -2 0 359.400 0.944 20 0 FCADRL CC(=O)c1ccc(OCCCC(=O)[N-]S(=O)(=O)CCC(=O)[O-])cc1 ZINC001589297445 986041406 /nfs/dbraw/zinc/04/14/06/986041406.db2.gz VVORSNMWIOYLHZ-UHFFFAOYSA-N -2 0 357.384 0.969 20 0 FCADRL CC(=O)c1cccc(NC(=C(F)C(=O)[O-])c2c([O-])[nH]c(=S)[nH]c2=O)c1 ZINC001589309439 986078795 /nfs/dbraw/zinc/07/87/95/986078795.db2.gz METSJAZDPLUXIF-JTQLQIEISA-N -2 0 365.342 0.509 20 0 FCADRL CCOCc1nnc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)o1 ZINC001596958884 986147593 /nfs/dbraw/zinc/14/75/93/986147593.db2.gz MUXYEZFKXMSBKC-UHFFFAOYSA-N -2 0 357.344 0.870 20 0 FCADRL CCO[N-]C(=O)CNC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(F)cc2F)C1 ZINC001596968833 986186428 /nfs/dbraw/zinc/18/64/28/986186428.db2.gz QOUMQXRAAAGFPA-NEPJUHHUSA-N -2 0 371.340 0.842 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)[C@@H](C(=O)[O-])[C@H](C)O1 ZINC001594557091 986300134 /nfs/dbraw/zinc/30/01/34/986300134.db2.gz NYCYGAPEXAJLLU-ISTVAULSSA-N -2 0 357.384 0.565 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC[C@H]1CCC(=O)[O-] ZINC001594562596 986335709 /nfs/dbraw/zinc/33/57/09/986335709.db2.gz VBOYYPHKISDYPX-GHMZBOCLSA-N -2 0 359.404 0.479 20 0 FCADRL C[C@H](C(=O)NCCc1ccccc1)S(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001589409814 986605602 /nfs/dbraw/zinc/60/56/02/986605602.db2.gz JRXWOEITFJIYMT-SNVBAGLBSA-N -2 0 351.384 0.629 20 0 FCADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)N(C)CC(F)(F)F ZINC001589423079 986673723 /nfs/dbraw/zinc/67/37/23/986673723.db2.gz KZGVGKAOUXVFMF-LURJTMIESA-N -2 0 358.294 0.665 20 0 FCADRL C[C@@H]1OC[C@]2(CC[C@H](C[N-]S(=O)(=O)c3cc(C(=O)[O-])no3)O2)[C@H]1C ZINC001594640212 986784300 /nfs/dbraw/zinc/78/43/00/986784300.db2.gz MVPINSMFNHOSSP-LFNDISMMSA-N -2 0 360.388 0.624 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccn(-c2ccccc2)n1 ZINC001589452673 986850837 /nfs/dbraw/zinc/85/08/37/986850837.db2.gz MFZWMXIOLNYSQJ-RYUDHWBXSA-N -2 0 365.411 0.970 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CCS(=O)(=O)C1CCCC1 ZINC001589452961 986854799 /nfs/dbraw/zinc/85/47/99/986854799.db2.gz OCSIMDURZDWDPW-NXEZZACHSA-N -2 0 369.461 0.289 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCS(=O)(=O)C1CCCC1 ZINC001589452968 986855211 /nfs/dbraw/zinc/85/52/11/986855211.db2.gz OCSIMDURZDWDPW-ZJUUUORDSA-N -2 0 369.461 0.289 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cn1ccc2ccccc2c1=O ZINC001589453167 986857830 /nfs/dbraw/zinc/85/78/30/986857830.db2.gz OMYXOAHUASMERB-QWRGUYRKSA-N -2 0 366.395 0.557 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cc[nH]c2=O)cc1 ZINC001589453199 986859204 /nfs/dbraw/zinc/85/92/04/986859204.db2.gz OVGCCZYRPRBWOY-VHSXEESVSA-N -2 0 367.383 0.747 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1COC[C@H]1c1ccccc1 ZINC001589454687 986882500 /nfs/dbraw/zinc/88/25/00/986882500.db2.gz XFFYEZCKSFKLIX-IMIFBBOLSA-N -2 0 355.412 0.972 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)cc1 ZINC001589455163 986891108 /nfs/dbraw/zinc/89/11/08/986891108.db2.gz VPLBYZXUIOXSME-RYUDHWBXSA-N -2 0 370.427 0.692 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CCNC(=O)OC(C)(C)C ZINC001589455136 986891307 /nfs/dbraw/zinc/89/13/07/986891307.db2.gz ZZQAFOZWFZXYRZ-RKDXNWHRSA-N -2 0 352.409 0.456 20 0 FCADRL CCOc1cccc(CCNS(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])n1 ZINC001597153204 986935987 /nfs/dbraw/zinc/93/59/87/986935987.db2.gz FAQCECUEOLIWNI-UHFFFAOYSA-N -2 0 354.388 0.731 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC001589491870 987060699 /nfs/dbraw/zinc/06/06/99/987060699.db2.gz OYIUSSZVNOIEDH-VIFPVBQESA-N -2 0 354.384 0.497 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC001589492340 987063522 /nfs/dbraw/zinc/06/35/22/987063522.db2.gz SOLBCADZSCEQTE-GXFFZTMASA-N -2 0 357.384 0.777 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC001589495220 987073122 /nfs/dbraw/zinc/07/31/22/987073122.db2.gz NLVOIMOJEOSZIS-MFKMUULPSA-N -2 0 358.391 0.709 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001589496505 987079172 /nfs/dbraw/zinc/07/91/72/987079172.db2.gz XHSQLBLPWUDYPG-VHSXEESVSA-N -2 0 372.374 0.488 20 0 FCADRL CC(C)(C(=O)[O-])[C@@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001589588752 987385997 /nfs/dbraw/zinc/38/59/97/987385997.db2.gz HYQVDPISPKCHJB-OLZOCXBDSA-N -2 0 362.382 0.888 20 0 FCADRL CCc1c(C(=O)[N-]S(=O)(=O)CC(=O)[O-])nnn1-c1cccc(Cl)c1 ZINC001597410676 987694481 /nfs/dbraw/zinc/69/44/81/987694481.db2.gz CTNZKQMRNJJIOB-UHFFFAOYSA-N -2 0 372.790 0.627 20 0 FCADRL CCc1c(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cnn1-c1ccccc1 ZINC001597410982 987697586 /nfs/dbraw/zinc/69/75/86/987697586.db2.gz RCIGYAZRPJGNPD-SNVBAGLBSA-N -2 0 351.384 0.967 20 0 FCADRL CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2n[nH]c(=O)[n-]c2=O)cc1 ZINC001599811713 988347523 /nfs/dbraw/zinc/34/75/23/988347523.db2.gz VSCCBEOHUHEPRY-VIFPVBQESA-N -2 0 350.356 0.951 20 0 FCADRL CC(C)(C)OC(=O)[C@@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CCOC1 ZINC001589857396 988413724 /nfs/dbraw/zinc/41/37/24/988413724.db2.gz OPEPJUJPGBCHAR-CYBMUJFWSA-N -2 0 362.360 0.152 20 0 FCADRL CCc1csc(-n2cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cn2)n1 ZINC001597639557 988632495 /nfs/dbraw/zinc/63/24/95/988632495.db2.gz LEXFFLVMOFJNJE-ZETCQYMHSA-N -2 0 358.401 0.424 20 0 FCADRL CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001597722741 989000630 /nfs/dbraw/zinc/00/06/30/989000630.db2.gz HSWCDGHMRCBVRV-UHFFFAOYSA-N -2 0 351.384 0.941 20 0 FCADRL C[C@@H]1CN(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)C[C@@H](C(=O)[O-])O1 ZINC001599856364 989094385 /nfs/dbraw/zinc/09/43/85/989094385.db2.gz BIOUQHRYNKICLU-ZUCKAHLUSA-N -2 0 350.371 0.912 20 0 FCADRL CC(C)(C)OC(=O)NCCC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001590176881 989511536 /nfs/dbraw/zinc/51/15/36/989511536.db2.gz DKWJZRVCJNCGQE-UHFFFAOYSA-N -2 0 352.409 0.458 20 0 FCADRL CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001590236897 989624709 /nfs/dbraw/zinc/62/47/09/989624709.db2.gz JQLACORBHQQKGT-UWVGGRQHSA-N -2 0 368.394 0.274 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)N3CC[C@](O)(C(=O)[O-])C3)cc2[n-]c1=S ZINC001597860014 989632646 /nfs/dbraw/zinc/63/26/46/989632646.db2.gz HIEYYPPTXJSYIK-MRXNPFEDSA-N -2 0 363.395 0.367 20 0 FCADRL CC(C)(C)OC[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCCC1)C(=O)[O-] ZINC001590389028 989911568 /nfs/dbraw/zinc/91/15/68/989911568.db2.gz KWKHCLGVBJYNMN-JTQLQIEISA-N -2 0 351.421 0.819 20 0 FCADRL CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@]1(CC(=O)[O-])CCCOC1 ZINC001590429459 989981450 /nfs/dbraw/zinc/98/14/50/989981450.db2.gz JTZGHTFQBGVGGE-LAJNKCICSA-N -2 0 356.466 0.741 20 0 FCADRL CN(C(=O)CCCn1c(=O)[n-][nH]c1=O)c1ccc(OCC(=O)[O-])cc1 ZINC001598012587 990184797 /nfs/dbraw/zinc/18/47/97/990184797.db2.gz KRTFVMKVIPBUEN-UHFFFAOYSA-N -2 0 350.331 0.596 20 0 FCADRL CC(C)(C)OC(=O)NC(C)(C)CC(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001590621524 990301910 /nfs/dbraw/zinc/30/19/10/990301910.db2.gz BFWPZVZCYXTWNX-UHFFFAOYSA-N -2 0 352.409 0.601 20 0 FCADRL CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2N)cn1C ZINC001598150819 990627075 /nfs/dbraw/zinc/62/70/75/990627075.db2.gz FKTPXWZOXCHGCQ-UHFFFAOYSA-N -2 0 366.399 0.808 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1cccc(Cn2ccnn2)c1)C(=O)[O-] ZINC001590799319 990627851 /nfs/dbraw/zinc/62/78/51/990627851.db2.gz QBMQTVXMZCWYLO-UHFFFAOYSA-N -2 0 366.399 0.497 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1cnnn1-c1cccc(F)c1)C(=O)[O-] ZINC001590799428 990629344 /nfs/dbraw/zinc/62/93/44/990629344.db2.gz VFYXFEONPFQVKX-UHFFFAOYSA-N -2 0 370.362 0.577 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2=O)cc1)C(=O)[O-] ZINC001590799465 990629401 /nfs/dbraw/zinc/62/94/01/990629401.db2.gz XDEUVIGCUWTZDP-UHFFFAOYSA-N -2 0 368.411 0.984 20 0 FCADRL CC(C)(CS(=O)(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)[O-])C(=O)[O-] ZINC001590802761 990632774 /nfs/dbraw/zinc/63/27/74/990632774.db2.gz GEPMWUVAOQZWCE-NSHDSACASA-N -2 0 363.363 0.688 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1nnc(CCC(=O)[O-])s1 ZINC001590839706 990700275 /nfs/dbraw/zinc/70/02/75/990700275.db2.gz DZJROHDVJZZUAJ-UHFFFAOYSA-N -2 0 354.310 0.951 20 0 FCADRL CC(C)(NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1)C(=O)[O-] ZINC001590880010 990796708 /nfs/dbraw/zinc/79/67/08/990796708.db2.gz ZTZTWKWMSFZUFX-VIFPVBQESA-N -2 0 370.383 0.266 20 0 FCADRL CC(C)C(=O)N(C)Cc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1 ZINC001590928087 990938506 /nfs/dbraw/zinc/93/85/06/990938506.db2.gz RCLVMNAFNQFNJN-LLVKDONJSA-N -2 0 370.427 0.834 20 0 FCADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1 ZINC001599683793 990953977 /nfs/dbraw/zinc/95/39/77/990953977.db2.gz ZASNBGBAQHHVKG-JOCHJYFZSA-N -3 0 363.413 0.114 20 0 FCADRL COc1ccccc1-n1ncc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])c1C ZINC001599696435 991155292 /nfs/dbraw/zinc/15/52/92/991155292.db2.gz XNHVTRLBUSFWCS-UHFFFAOYSA-N -2 0 353.356 0.334 20 0 FCADRL COc1ccccc1[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(=O)[O-] ZINC001599700501 991210944 /nfs/dbraw/zinc/21/09/44/991210944.db2.gz SLDJSOPLYPZSNP-CYBMUJFWSA-N -2 0 369.355 0.081 20 0 FCADRL CN(C)c1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)ncn1 ZINC001598307821 991278124 /nfs/dbraw/zinc/27/81/24/991278124.db2.gz MGBJWSBLXMLKJB-UHFFFAOYSA-N -2 0 352.372 0.807 20 0 FCADRL COc1ncc(/C=C\C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC001599735808 991773152 /nfs/dbraw/zinc/77/31/52/991773152.db2.gz KNPQQBASSFPFTC-WAYWQWQTSA-N -2 0 363.351 0.702 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N[C@H](C(=O)[O-])c1c(F)cccc1F ZINC001598471602 992034337 /nfs/dbraw/zinc/03/43/37/992034337.db2.gz WDQCKHUFNUCHIJ-NSHDSACASA-N -2 0 352.315 0.331 20 0 FCADRL CS(=O)(=O)[N-]c1nnc(NC(=O)c2ccc(C(=O)[O-])cc2F)s1 ZINC001599762392 992140437 /nfs/dbraw/zinc/14/04/37/992140437.db2.gz NNSVAMGXNPZCEG-UHFFFAOYSA-N -2 0 360.348 0.999 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)cn1 ZINC001599772977 992267059 /nfs/dbraw/zinc/26/70/59/992267059.db2.gz QITMNJRKOUHHCT-UHFFFAOYSA-N -2 0 357.369 0.379 20 0 FCADRL COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c1 ZINC001599603848 993856232 /nfs/dbraw/zinc/85/62/32/993856232.db2.gz LYTCWUKYUPAZSZ-CMPLNLGQSA-N -2 0 357.384 0.728 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC(C)(C)OC[C@H]2C(=O)[O-])cc1C(=O)[O-] ZINC001599607495 993906658 /nfs/dbraw/zinc/90/66/58/993906658.db2.gz BABNQQFKTDRBAL-NSHDSACASA-N -2 0 373.383 0.646 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])cc1C(=O)[O-] ZINC001599609813 993936989 /nfs/dbraw/zinc/93/69/89/993936989.db2.gz TVCZZTFJXDYFRS-SECBINFHSA-N -2 0 365.310 0.876 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)c(CC(=O)[O-])c1 ZINC001599611977 993967215 /nfs/dbraw/zinc/96/72/15/993967215.db2.gz BIDJUHZTMKWNDM-MWLCHTKSSA-N -2 0 355.368 0.630 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1ccccc1 ZINC001593176303 994054622 /nfs/dbraw/zinc/05/46/22/994054622.db2.gz SOPDOMUJSNBVLZ-DCAQKATOSA-N -2 0 356.400 0.360 20 0 FCADRL CNC(=O)Cc1ccccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001598648337 994404777 /nfs/dbraw/zinc/40/47/77/994404777.db2.gz HJCWDDPDZLCZQY-UHFFFAOYSA-N -2 0 355.397 0.931 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1C ZINC001598650892 994440548 /nfs/dbraw/zinc/44/05/48/994440548.db2.gz KYQBDMDYBAYZOJ-UHFFFAOYSA-N -2 0 356.360 0.338 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])cc1C ZINC001598651162 994445555 /nfs/dbraw/zinc/44/55/55/994445555.db2.gz NARUBQRBZKWYOG-UHFFFAOYSA-N -2 0 366.399 0.745 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1C ZINC001598652275 994463359 /nfs/dbraw/zinc/46/33/59/994463359.db2.gz ZZNNGBGPVBBDHB-UHFFFAOYSA-N -2 0 370.387 0.646 20 0 FCADRL CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001598657799 994550571 /nfs/dbraw/zinc/55/05/71/994550571.db2.gz LTMXGPIGRJHCBB-UHFFFAOYSA-N -2 0 366.351 0.597 20 0 FCADRL CNC(=O)c1cncc(/C=C/C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])c1 ZINC001598662186 994614611 /nfs/dbraw/zinc/61/46/11/994614611.db2.gz VERTUWDQHKJQTL-OCIBVNFRSA-N -2 0 369.399 0.010 20 0 FCADRL COc1cccc(COCC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001599675114 994885118 /nfs/dbraw/zinc/88/51/18/994885118.db2.gz MADFJMWLEIYQGG-GHMZBOCLSA-N -2 0 359.400 0.767 20 0 FCADRL COc1cccc(COCC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1 ZINC001599675199 994885781 /nfs/dbraw/zinc/88/57/81/994885781.db2.gz REQLNZKJRCZCLM-UHFFFAOYSA-N -2 0 359.400 0.769 20 0 FCADRL COc1cccc(OC)c1CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001599681063 994982169 /nfs/dbraw/zinc/98/21/69/994982169.db2.gz YZIUAYYJNVYPEZ-ZJUUUORDSA-N -2 0 359.400 0.802 20 0 FCADRL COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC001598695241 995126033 /nfs/dbraw/zinc/12/60/33/995126033.db2.gz QVWCLRZYBYLYMW-ZCFIWIBFSA-N -2 0 351.358 0.049 20 0 FCADRL COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC001598695371 995128217 /nfs/dbraw/zinc/12/82/17/995128217.db2.gz RVYLEQLDCAZWBG-NSHDSACASA-N -2 0 359.356 0.296 20 0 FCADRL C[C@](O)(CNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(=O)[O-] ZINC001593416942 995201272 /nfs/dbraw/zinc/20/12/72/995201272.db2.gz IPXBBSXZAQVCSC-NSHDSACASA-N -2 0 355.727 0.291 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1ccccc1C(=O)[O-])c1ccn(C)n1 ZINC001598713859 995380914 /nfs/dbraw/zinc/38/09/14/995380914.db2.gz OYJQXHVANPOHOQ-GFCCVEGCSA-N -2 0 353.356 0.311 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1ccn(C)n1 ZINC001598714354 995387046 /nfs/dbraw/zinc/38/70/46/995387046.db2.gz RIRVZBNMLIESMA-JTQLQIEISA-N -2 0 359.385 0.372 20 0 FCADRL C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001593608623 995797706 /nfs/dbraw/zinc/79/77/06/995797706.db2.gz MMIRXRBAHXUKHP-BXUZGUMPSA-N -2 0 371.411 0.915 20 0 FCADRL C[C@@H](Oc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001593620034 995866579 /nfs/dbraw/zinc/86/65/79/995866579.db2.gz BFFJEAXDDOQFLY-SNVBAGLBSA-N -2 0 374.390 0.751 20 0 FCADRL CC1(C(=O)[O-])CCN(C(=O)C(=O)NCc2ccc(C(=O)[O-])s2)CC1 ZINC001593783242 996493418 /nfs/dbraw/zinc/49/34/18/996493418.db2.gz HZOHNVWSVTZTTG-UHFFFAOYSA-N -2 0 354.384 0.776 20 0 FCADRL COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)C(=O)[O-] ZINC001598839213 996510913 /nfs/dbraw/zinc/51/09/13/996510913.db2.gz HQIXOZVPUZLMSJ-SECBINFHSA-N -2 0 365.747 0.333 20 0 FCADRL COC(=O)C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C)C(=O)[O-] ZINC001598839273 996511228 /nfs/dbraw/zinc/51/12/28/996511228.db2.gz KPECCQCBPSTDET-SNVBAGLBSA-N -2 0 359.356 0.296 20 0 FCADRL COC(=O)CCCO[N-]C(=O)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001598852280 996614528 /nfs/dbraw/zinc/61/45/28/996614528.db2.gz LSHDABZCXIIWKQ-UHFFFAOYSA-N -2 0 363.326 0.806 20 0 FCADRL COC(=O)CC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1C)C(=O)[O-] ZINC001598857950 996653719 /nfs/dbraw/zinc/65/37/19/996653719.db2.gz FPGMVVZHDSTGGN-JTQLQIEISA-N -2 0 359.356 0.378 20 0 FCADRL COC(=O)Cn1ncc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1C ZINC001598876734 996767616 /nfs/dbraw/zinc/76/76/16/996767616.db2.gz VLZPDKLVLGWXQU-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL COc1ccc(C(=O)[O-])c(NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)c1 ZINC001599486562 996860088 /nfs/dbraw/zinc/86/00/88/996860088.db2.gz ATYRVHBYIRKJSD-LBPRGKRZSA-N -2 0 364.354 0.949 20 0 FCADRL COC[C@H]([N-]S(=O)(=O)c1nc(C)c(Br)s1)C(=O)[O-] ZINC001599177631 996880955 /nfs/dbraw/zinc/88/09/55/996880955.db2.gz DKCKQEDUGDFHRW-YFKPBYRVSA-N -2 0 359.223 0.592 20 0 FCADRL COC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1)C(=O)[O-] ZINC001599177670 996882460 /nfs/dbraw/zinc/88/24/60/996882460.db2.gz NQKWRXMZHVVEIW-SECBINFHSA-N -2 0 371.289 0.782 20 0 FCADRL COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC001599488946 996904459 /nfs/dbraw/zinc/90/44/59/996904459.db2.gz UUBLHMDQMSOHMA-INIZCTEOSA-N -2 0 350.327 0.655 20 0 FCADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])c1 ZINC001599282149 996909450 /nfs/dbraw/zinc/90/94/50/996909450.db2.gz SHRQYWMYNBRGFD-GFCCVEGCSA-N -2 0 373.383 0.395 20 0 FCADRL CC1(C)CN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])[C@@H](C(=O)[O-])CO1 ZINC001593947711 997006668 /nfs/dbraw/zinc/00/66/68/997006668.db2.gz XWUMKVIGOKKLNQ-SNVBAGLBSA-N -2 0 361.347 0.777 20 0 FCADRL COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC001598894068 997046925 /nfs/dbraw/zinc/04/69/25/997046925.db2.gz VKXVKCPRLSRKRE-MRVPVSSYSA-N -2 0 351.764 0.730 20 0 FCADRL COc1cc(C)c(S(=O)(=O)[N-]c2nnc(CC(=O)[O-])[nH]2)cc1OC ZINC001599392991 997072512 /nfs/dbraw/zinc/07/25/12/997072512.db2.gz BQHPWFBSVWIYJC-UHFFFAOYSA-N -2 0 356.360 0.558 20 0 FCADRL COc1cc(C)ccc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001599394518 997100508 /nfs/dbraw/zinc/10/05/08/997100508.db2.gz REPOCIXTXDOVBD-UHFFFAOYSA-N -2 0 356.400 0.775 20 0 FCADRL COCc1ccccc1CS(=O)(=O)[N-]C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001599296271 997147870 /nfs/dbraw/zinc/14/78/70/997147870.db2.gz KSNDJCIFKLKHGN-UHFFFAOYSA-N -2 0 367.383 0.374 20 0 FCADRL COc1ccc([C@@H](CC(=O)[O-])NC(=O)CCCc2nnn[n-]2)c(OC)c1 ZINC001599510873 997296135 /nfs/dbraw/zinc/29/61/35/997296135.db2.gz QHKDPMYVKVSOEN-GFCCVEGCSA-N -2 0 363.374 0.872 20 0 FCADRL COCC[C@@H](NC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1)C(=O)[O-] ZINC001599216442 997590306 /nfs/dbraw/zinc/59/03/06/997590306.db2.gz VTDRSNNVIODCIX-MRVPVSSYSA-N -2 0 352.265 0.678 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)c1 ZINC001598923205 997607519 /nfs/dbraw/zinc/60/75/19/997607519.db2.gz LCIFNBQNGVVJTR-PELKAZGASA-N -2 0 371.367 0.655 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c1 ZINC001598923302 997608323 /nfs/dbraw/zinc/60/83/23/997608323.db2.gz HLMDJKNPUJSOMI-CZMCAQCFSA-N -2 0 357.340 0.313 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N(CC(=O)[O-])C(C)C)c1 ZINC001598924058 997622273 /nfs/dbraw/zinc/62/22/73/997622273.db2.gz SSYKAGPDTNPJDW-UHFFFAOYSA-N -2 0 359.356 0.655 20 0 FCADRL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C1 ZINC001594052181 997753902 /nfs/dbraw/zinc/75/39/02/997753902.db2.gz MTLBZKYTWRGJFI-LLVKDONJSA-N -2 0 372.365 0.714 20 0 FCADRL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)Cc2ccc(C(=O)[O-])nc2)C1 ZINC001594053999 997781849 /nfs/dbraw/zinc/78/18/49/997781849.db2.gz ZEADUNQHXFSOQH-CQSZACIVSA-N -2 0 359.304 0.992 20 0 FCADRL COc1ccc(C[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1OC ZINC001599550094 997991116 /nfs/dbraw/zinc/99/11/16/997991116.db2.gz KQBVCJPIQSBNJF-VHSXEESVSA-N -2 0 359.400 0.802 20 0 FCADRL CO[C@H]1CN(S(=O)(=O)c2ccc(F)cc2C(=O)[O-])[C@](C)(C(=O)[O-])C1 ZINC001599136361 998050456 /nfs/dbraw/zinc/05/04/56/998050456.db2.gz FQOSQJPKPZIQRU-OTYXRUKQSA-N -2 0 361.347 0.777 20 0 FCADRL COC(=O)c1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c(C)s1 ZINC001598950044 998133207 /nfs/dbraw/zinc/13/32/07/998133207.db2.gz KDOLSQQFOOKDMV-UHFFFAOYSA-N -2 0 359.385 0.925 20 0 FCADRL COc1cc(S(=O)(=O)NCCCCC(=O)[O-])cc(C(=O)[O-])c1OC ZINC001599459370 998244582 /nfs/dbraw/zinc/24/45/82/998244582.db2.gz XCJLLWHAFXOJNX-UHFFFAOYSA-N -2 0 361.372 0.935 20 0 FCADRL COC[C@@](C)(CC(=O)[O-])NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC001599147996 998245145 /nfs/dbraw/zinc/24/51/45/998245145.db2.gz XBWNDMWKDOCJJX-MRXNPFEDSA-N -2 0 365.411 0.681 20 0 FCADRL COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001599366939 998349269 /nfs/dbraw/zinc/34/92/69/998349269.db2.gz GBUZUMHRCVEHHM-GXSJLCMTSA-N -2 0 364.354 0.901 20 0 FCADRL COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001599367431 998357484 /nfs/dbraw/zinc/35/74/84/998357484.db2.gz LPXBYEZDJOPSQL-ONGXEEELSA-N -2 0 364.354 0.901 20 0 FCADRL COc1ccc(COCC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc1 ZINC001599575277 998433114 /nfs/dbraw/zinc/43/31/14/998433114.db2.gz RXGPDSYMVGQJLA-UHFFFAOYSA-N -2 0 359.400 0.769 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001598969007 998479133 /nfs/dbraw/zinc/47/91/33/998479133.db2.gz LTLZQBPNNGJIOB-JTQLQIEISA-N -2 0 371.367 0.657 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001598969284 998484252 /nfs/dbraw/zinc/48/42/52/998484252.db2.gz PZRNWWNSOPBTRR-WPRPVWTQSA-N -2 0 371.367 0.655 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC001598970353 998503142 /nfs/dbraw/zinc/50/31/42/998503142.db2.gz JZEWGIVESMKVHF-KWQFWETISA-N -2 0 371.367 0.798 20 0 FCADRL COCCn1cc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c(C)n1 ZINC001599272305 998560119 /nfs/dbraw/zinc/56/01/19/998560119.db2.gz YLQAGGCMJCPMIG-UHFFFAOYSA-N -2 0 357.344 0.248 20 0 FCADRL COCCn1nc(C)c([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1C ZINC001599273859 998581941 /nfs/dbraw/zinc/58/19/41/998581941.db2.gz OOFSMFCQRKHZTD-UHFFFAOYSA-N -2 0 357.392 0.228 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)cc1F ZINC001598990932 998736658 /nfs/dbraw/zinc/73/66/58/998736658.db2.gz VLIWGELWMFKSMC-UHFFFAOYSA-N -2 0 355.303 0.901 20 0 FCADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)C1 ZINC001594209752 998812444 /nfs/dbraw/zinc/81/24/44/998812444.db2.gz HPOHWCYFDILCJY-UWVGGRQHSA-N -2 0 366.374 0.211 20 0 FCADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCc2ccc(C(=O)[O-])cc2)C1 ZINC001594211115 998821959 /nfs/dbraw/zinc/82/19/59/998821959.db2.gz YWUVCMAALMFAOZ-BXUZGUMPSA-N -2 0 362.382 0.613 20 0 FCADRL C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)[N-]OCCCC(=O)[O-])C2=O ZINC001594221218 998852137 /nfs/dbraw/zinc/85/21/37/998852137.db2.gz MBXLIBFAKUWHEP-GHMZBOCLSA-N -2 0 355.391 0.646 20 0 FCADRL COC(=O)c1cn(CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c2ccccc12 ZINC001599008843 998878938 /nfs/dbraw/zinc/87/89/38/998878938.db2.gz YZMKOCQWJNHFRL-VIFPVBQESA-N -2 0 368.367 0.347 20 0 FCADRL CO[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)c1cnn(C)c1 ZINC001599028181 999030900 /nfs/dbraw/zinc/03/09/00/999030900.db2.gz KHFUEFBWJMLZOJ-LLVKDONJSA-N -2 0 357.344 0.212 20 0 FCADRL CO[C@@H](C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(=O)[O-])C1CC1 ZINC001599042338 999126953 /nfs/dbraw/zinc/12/69/53/999126953.db2.gz BCEKVQQALYRLOI-RYUDHWBXSA-N -2 0 358.372 0.326 20 0 FCADRL CO[C@@H](C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)[O-])C1CC1 ZINC001599044025 999138361 /nfs/dbraw/zinc/13/83/61/999138361.db2.gz PTTNLBSLYBCWHG-JQWIXIFHSA-N -2 0 360.388 0.270 20 0 FCADRL CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1 ZINC001599058341 999247146 /nfs/dbraw/zinc/24/71/46/999247146.db2.gz LYVKSDQMLPLLET-CYBMUJFWSA-N -2 0 353.400 0.967 20 0 FCADRL CC1CCN(c2ccc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cn2)CC1 ZINC001594434306 999612926 /nfs/dbraw/zinc/61/29/26/999612926.db2.gz LZOAOVLBNHWEJY-UHFFFAOYSA-N -2 0 355.416 0.852 20 0 FCADRL C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC[C@@H]1C(=O)[O-] ZINC001594459892 999671490 /nfs/dbraw/zinc/67/14/90/999671490.db2.gz YQNFIEMDDXRVMV-CABZTGNLSA-N -2 0 366.345 0.961 20 0 FCADRL CO[C@H](CS(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1)c1ccccc1 ZINC000297106718 214380067 /nfs/dbraw/zinc/38/00/67/214380067.db2.gz ZQOOASOOFDBNLS-CZUORRHYSA-N -2 0 371.411 0.955 20 0 FCADRL CC(C)[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)[N-]c1ncnn1-2)C(=O)[O-] ZINC000262937508 209683016 /nfs/dbraw/zinc/68/30/16/209683016.db2.gz YYCSGNRLVKKAOZ-LLVKDONJSA-N -2 0 365.371 0.221 20 0 FCADRL CC(C)N(CC(=O)[O-])C(=O)c1ccc2c(c1)S(=O)(=O)[N-]c1ncnn1-2 ZINC000262846498 209671977 /nfs/dbraw/zinc/67/19/77/209671977.db2.gz VVFBJUJQXIUREA-UHFFFAOYSA-N -2 0 365.371 0.317 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N(C)CCCC(=O)[O-])c1 ZINC000262567972 209613859 /nfs/dbraw/zinc/61/38/59/209613859.db2.gz BUCABSPCBTVYDO-UHFFFAOYSA-N -2 0 371.415 0.953 20 0 FCADRL O=C([O-])CCC[C@@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)[O-] ZINC000278780124 212486006 /nfs/dbraw/zinc/48/60/06/212486006.db2.gz UDVVLXZUUQERJC-LLVKDONJSA-N -2 0 356.356 0.168 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])c(OC)c1 ZINC000278671143 212476055 /nfs/dbraw/zinc/47/60/55/212476055.db2.gz LEJSDOUPSSSWTM-SNVBAGLBSA-N -2 0 361.372 0.690 20 0 FCADRL CCOC(=O)c1ccc(C)c(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000276652491 212272072 /nfs/dbraw/zinc/27/20/72/212272072.db2.gz ZHWMUXIDKZVVAF-LLVKDONJSA-N -2 0 373.383 0.626 20 0 FCADRL CC(C)Cn1cnc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1 ZINC000275188090 211978285 /nfs/dbraw/zinc/97/82/85/211978285.db2.gz XMHTWPNLQYVWAU-GHMZBOCLSA-N -2 0 359.404 0.335 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000275099026 211961671 /nfs/dbraw/zinc/96/16/71/211961671.db2.gz LHLPCDSZJJQNQG-RYUDHWBXSA-N -2 0 357.384 0.800 20 0 FCADRL COC(=O)c1ccc(CS(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000275014306 211947915 /nfs/dbraw/zinc/94/79/15/211947915.db2.gz QNNUIOKWVJWUTB-NSHDSACASA-N -2 0 359.356 0.068 20 0 FCADRL COCCc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1 ZINC000274967583 211940097 /nfs/dbraw/zinc/94/00/97/211940097.db2.gz CARBJXKVSSVBBQ-KBPBESRZSA-N -2 0 371.411 0.672 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)C[C@@H]1C(=O)[O-] ZINC000274988692 211943135 /nfs/dbraw/zinc/94/31/35/211943135.db2.gz DXEWZPIQHMLREO-RQJHMYQMSA-N -2 0 367.301 0.900 20 0 FCADRL CC(=O)Nc1cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])ccc1C ZINC000274921495 211930993 /nfs/dbraw/zinc/93/09/93/211930993.db2.gz BFJPWBLWKZHKNY-JTQLQIEISA-N -2 0 358.372 0.407 20 0 FCADRL C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000424394445 247206408 /nfs/dbraw/zinc/20/64/08/247206408.db2.gz TXXBFVPYIAQTOL-JGVFFNPUSA-N -2 0 368.371 0.310 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2NCCC(N)=O)cc1C(=O)[O-] ZINC000438779301 248094994 /nfs/dbraw/zinc/09/49/94/248094994.db2.gz OAPNAAROOOZJPT-UHFFFAOYSA-N -2 0 366.399 0.811 20 0 FCADRL NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000436994380 248057209 /nfs/dbraw/zinc/05/72/09/248057209.db2.gz MGDWDCKNPOIZON-UHFFFAOYSA-N -2 0 372.380 0.539 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000170307110 208864900 /nfs/dbraw/zinc/86/49/00/208864900.db2.gz FRYRVGQHSMTRDO-SSDOTTSWSA-N -2 0 366.189 0.903 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000044243034 487911248 /nfs/dbraw/zinc/91/12/48/487911248.db2.gz NLGMYBXABCLZIH-QMMMGPOBSA-N -2 0 367.177 0.440 20 0 FCADRL CC(=O)Nc1cc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])ccc1C ZINC000278840386 488898899 /nfs/dbraw/zinc/89/88/99/488898899.db2.gz ZSFXUQCGOHOUMR-GFCCVEGCSA-N -2 0 372.399 0.940 20 0 FCADRL CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000287712544 488897051 /nfs/dbraw/zinc/89/70/51/488897051.db2.gz YCJVYBHGLVWPHB-PSASIEDQSA-N -2 0 368.371 0.310 20 0 FCADRL CC(=O)N1c2ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc2C[C@H]1C ZINC000364419369 488957840 /nfs/dbraw/zinc/95/78/40/488957840.db2.gz OMMASOBHUVCOOI-SECBINFHSA-N -2 0 370.383 0.144 20 0 FCADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)NC1CCCC1 ZINC000065832950 488321886 /nfs/dbraw/zinc/32/18/86/488321886.db2.gz HLLVHXGSKVNUAL-UHFFFAOYSA-N -2 0 371.415 0.757 20 0 FCADRL CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N[C@H](C)C(=O)[O-] ZINC000262366469 488566532 /nfs/dbraw/zinc/56/65/32/488566532.db2.gz DRPNOTLBEHLICX-MRVPVSSYSA-N -2 0 366.417 0.208 20 0 FCADRL O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000262671913 488585495 /nfs/dbraw/zinc/58/54/95/488585495.db2.gz PRHRONUFPYJENI-SECBINFHSA-N -2 0 354.344 0.064 20 0 FCADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000264488729 488678433 /nfs/dbraw/zinc/67/84/33/488678433.db2.gz NKRYABNICONQKN-JTQLQIEISA-N -2 0 374.371 0.250 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)[O-] ZINC000274914734 488743168 /nfs/dbraw/zinc/74/31/68/488743168.db2.gz LMEGSQDIKSXYNB-LLVKDONJSA-N -2 0 356.356 0.168 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc3nonc32)C1 ZINC000274949709 488746880 /nfs/dbraw/zinc/74/68/80/488746880.db2.gz AFUKWJBGRKUTMY-ZDUSSCGKSA-N -2 0 355.328 0.163 20 0 FCADRL COC(=O)c1cc(Cl)ccc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-] ZINC000274958606 488748258 /nfs/dbraw/zinc/74/82/58/488748258.db2.gz IUUPMPHKKUXBPV-UHFFFAOYSA-N -2 0 365.747 0.287 20 0 FCADRL CCC(=O)Nc1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000274991261 488751471 /nfs/dbraw/zinc/75/14/71/488751471.db2.gz MTVWOBFFISUMDO-VIFPVBQESA-N -2 0 358.372 0.489 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000274998393 488752031 /nfs/dbraw/zinc/75/20/31/488752031.db2.gz AKDXKCGHDMWZHX-ZETCQYMHSA-N -2 0 367.177 0.440 20 0 FCADRL COC(=O)Cc1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s1 ZINC000275029426 488754898 /nfs/dbraw/zinc/75/48/98/488754898.db2.gz FKQHUJHOQINYMG-QMMMGPOBSA-N -2 0 365.385 0.060 20 0 FCADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)CCS(C)(=O)=O)c1OC ZINC000275053272 488756781 /nfs/dbraw/zinc/75/67/81/488756781.db2.gz SUODCNCPJZUJNG-UHFFFAOYSA-N -2 0 367.401 0.188 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)C[C@H]1C(=O)[O-] ZINC000275083833 488759860 /nfs/dbraw/zinc/75/98/60/488759860.db2.gz JDOKVXTYEHCMDD-QWHCGFSZSA-N -2 0 369.395 0.808 20 0 FCADRL CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000275133463 488764752 /nfs/dbraw/zinc/76/47/52/488764752.db2.gz PJAMUBXPIQFCJD-OIBJUYFYSA-N -2 0 370.387 0.556 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cc1C ZINC000275187916 488770318 /nfs/dbraw/zinc/77/03/18/488770318.db2.gz XKCRNWMSYXBQRQ-OAHLLOKOSA-N -2 0 357.384 0.944 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1cc2c(cc1Cl)OCCO2)C(=O)[O-] ZINC000275198710 488771811 /nfs/dbraw/zinc/77/18/11/488771811.db2.gz GMQPASMKZILRAS-ZETCQYMHSA-N -2 0 365.747 0.317 20 0 FCADRL CCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cn1 ZINC000275213445 488773273 /nfs/dbraw/zinc/77/32/73/488773273.db2.gz ZZMNODXXHLBTIZ-MNOVXSKESA-N -2 0 358.372 0.276 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc1 ZINC000170307824 488813493 /nfs/dbraw/zinc/81/34/93/488813493.db2.gz LKLGXDJMWJKZGU-GFCCVEGCSA-N -2 0 358.372 0.631 20 0 FCADRL COC(=O)C[C@H]1CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)CCO1 ZINC000267931138 488829514 /nfs/dbraw/zinc/82/95/14/488829514.db2.gz ZOIOTXIFSCRSOP-VIFPVBQESA-N -2 0 362.342 0.149 20 0 FCADRL Cc1ccc(-n2[n-]nnc2=N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cc1 ZINC000416448587 489593866 /nfs/dbraw/zinc/59/38/66/489593866.db2.gz UIYJOANWRQVVFM-KGLIPLIRSA-N -2 0 358.402 0.515 20 0 FCADRL CCn1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c(C(N)=O)n1 ZINC000430987361 489784337 /nfs/dbraw/zinc/78/43/37/489784337.db2.gz KNUWPRRKCFPVBM-UHFFFAOYSA-N -2 0 368.371 0.266 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)cn1 ZINC000476391459 489884594 /nfs/dbraw/zinc/88/45/94/489884594.db2.gz RIPLQGRGBSBNDW-UHFFFAOYSA-N -2 0 359.385 0.323 20 0 FCADRL NC(=O)CCNc1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000462097868 489957454 /nfs/dbraw/zinc/95/74/54/489957454.db2.gz AYZCIYLEBYCNIE-UHFFFAOYSA-N -2 0 352.372 0.801 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2)cc1C(=O)[O-] ZINC000390429855 490137908 /nfs/dbraw/zinc/13/79/08/490137908.db2.gz RXWXFEVCCRIQLF-UHFFFAOYSA-N -2 0 358.397 0.928 20 0 FCADRL COC(=O)c1ccc(CS(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc1 ZINC000392964599 490157517 /nfs/dbraw/zinc/15/75/17/490157517.db2.gz LNAOFDYCOHMRFI-GFCCVEGCSA-N -2 0 373.383 0.601 20 0 FCADRL Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)c1 ZINC000533572834 490259465 /nfs/dbraw/zinc/25/94/65/490259465.db2.gz NARZAFSEASGVKG-NSHDSACASA-N -2 0 364.431 0.899 20 0 FCADRL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000547608103 490328590 /nfs/dbraw/zinc/32/85/90/490328590.db2.gz LOOFORFXJLHPNL-ZDUSSCGKSA-N -2 0 360.344 0.747 20 0 FCADRL Cc1cc(C(=O)Nc2cccc(OCC(N)=O)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000468257238 490376013 /nfs/dbraw/zinc/37/60/13/490376013.db2.gz OCKSZLMSNCQDBH-UHFFFAOYSA-N -2 0 369.337 0.861 20 0 FCADRL C[C@H](CCC(=O)[O-])CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000547901124 490381768 /nfs/dbraw/zinc/38/17/68/490381768.db2.gz MECJKWAYXCJHGJ-SSDOTTSWSA-N -2 0 356.360 0.215 20 0 FCADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CCC(N)=O)n1 ZINC000522745232 490399830 /nfs/dbraw/zinc/39/98/30/490399830.db2.gz LNHVGUMGNGJHMP-UHFFFAOYSA-N -2 0 358.401 0.627 20 0 FCADRL Cc1nc(-c2ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc2)co1 ZINC000548206270 490438942 /nfs/dbraw/zinc/43/89/42/490438942.db2.gz SEBFDQLPTANLFJ-UHFFFAOYSA-N -2 0 354.340 0.810 20 0 FCADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000548553785 490504181 /nfs/dbraw/zinc/50/41/81/490504181.db2.gz GUSUBLLMYFJJHG-LLVKDONJSA-N -2 0 361.420 0.610 20 0 FCADRL CC(=O)N1CCc2cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])ccc21 ZINC000548549763 490504187 /nfs/dbraw/zinc/50/41/87/490504187.db2.gz IJVUCHVZRCMJGI-NSHDSACASA-N -2 0 370.383 0.049 20 0 FCADRL Cc1nnnn1-c1cc([N-]S(=O)(=O)c2ccnn2C)ccc1C(=O)[O-] ZINC000548588629 490513545 /nfs/dbraw/zinc/51/35/45/490513545.db2.gz TWVQEKKHYTYPMM-UHFFFAOYSA-N -2 0 363.359 0.203 20 0 FCADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cccc(CS(N)(=O)=O)c2)c1 ZINC000537196065 490660399 /nfs/dbraw/zinc/66/03/99/490660399.db2.gz PTHGIUUMUKKLEI-UHFFFAOYSA-N -2 0 372.424 0.990 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cn1 ZINC000512752473 490696625 /nfs/dbraw/zinc/69/66/25/490696625.db2.gz OKQQHVCQXMADSJ-UHFFFAOYSA-N -2 0 366.399 0.745 20 0 FCADRL COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c1 ZINC000538092922 490710045 /nfs/dbraw/zinc/71/00/45/490710045.db2.gz FPLQCCZJUHVOTD-UHFFFAOYSA-N -2 0 369.355 0.714 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])ccc1OCC(=O)[O-] ZINC000539194371 490768253 /nfs/dbraw/zinc/76/82/53/490768253.db2.gz SDYNOKYVQBQYAL-UHFFFAOYSA-N -3 0 369.355 0.691 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1C ZINC000504293057 490794173 /nfs/dbraw/zinc/79/41/73/490794173.db2.gz JBJNMOUGZMATGM-UHFFFAOYSA-N -2 0 366.399 0.745 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)cc1C(=O)[O-] ZINC000519455125 490972681 /nfs/dbraw/zinc/97/26/81/490972681.db2.gz ADLKBULSFHYUFJ-UHFFFAOYSA-N -2 0 353.356 0.455 20 0 FCADRL CO[C@H](CS(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c1ccccc1 ZINC000562643035 491178074 /nfs/dbraw/zinc/17/80/74/491178074.db2.gz DAUSPHFKHNBEGJ-DOMZBBRYSA-N -2 0 359.400 0.859 20 0 FCADRL CN(C)c1n[nH]c(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)n1 ZINC000572907951 491401109 /nfs/dbraw/zinc/40/11/09/491401109.db2.gz JSUKVEFKSSGCDZ-UHFFFAOYSA-N -2 0 356.408 0.793 20 0 FCADRL COc1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c(Cl)c1 ZINC000575215599 491546448 /nfs/dbraw/zinc/54/64/48/491546448.db2.gz VDLVVXDFIOYWRS-ZETCQYMHSA-N -2 0 351.764 0.802 20 0 FCADRL Cc1ncsc1CCS(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000576521060 491622191 /nfs/dbraw/zinc/62/21/91/491622191.db2.gz LFGSXMBICWHYJL-CYBMUJFWSA-N -2 0 362.429 0.575 20 0 FCADRL CC(=O)N(C)c1ccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc1 ZINC000576809103 491646312 /nfs/dbraw/zinc/64/63/12/491646312.db2.gz MQVQXQZAHOUXNX-CYBMUJFWSA-N -2 0 372.399 0.656 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000581124820 491760359 /nfs/dbraw/zinc/76/03/59/491760359.db2.gz XXMXWVRWQXPYSM-LURJTMIESA-N -2 0 371.289 0.881 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(F)c(Br)c1)C(=O)[O-] ZINC000583669068 491849703 /nfs/dbraw/zinc/84/97/03/491849703.db2.gz WQZXMIIMRNNAIQ-MRVPVSSYSA-N -2 0 370.152 0.794 20 0 FCADRL NC(=O)CC[C@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000584116699 491859041 /nfs/dbraw/zinc/85/90/41/491859041.db2.gz HINLQMGBMSGNNI-LURJTMIESA-N -2 0 358.269 0.240 20 0 FCADRL O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000614518588 492037051 /nfs/dbraw/zinc/03/70/51/492037051.db2.gz IJTSXGJTSOQCCS-LLVKDONJSA-N -2 0 356.342 0.873 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H](NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000647779711 492361558 /nfs/dbraw/zinc/36/15/58/492361558.db2.gz IFWVZAUZTFOANU-BDAKNGLRSA-N -2 0 362.354 0.613 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NCC2(C(=O)[O-])CC2)c1 ZINC000621572325 492392965 /nfs/dbraw/zinc/39/29/65/492392965.db2.gz IJZICRZNNNLANO-UHFFFAOYSA-N -2 0 369.399 0.611 20 0 FCADRL CC(C)[C@H](CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000655559924 492457069 /nfs/dbraw/zinc/45/70/69/492457069.db2.gz SIKNOVMHYAEELY-VIFPVBQESA-N -2 0 364.370 0.716 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)CCc1c(F)cccc1F)C(=O)[O-] ZINC000629297328 492604204 /nfs/dbraw/zinc/60/42/04/492604204.db2.gz PNOCVKJFZVYDMH-QMMMGPOBSA-N -2 0 351.327 0.602 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)CCc2ccccc2F)C[C@H]1C(=O)[O-] ZINC000656513976 492627664 /nfs/dbraw/zinc/62/76/64/492627664.db2.gz HGFAUSBNRVIWCN-NWDGAFQWSA-N -2 0 359.375 0.805 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)CCc2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC000656514877 492628087 /nfs/dbraw/zinc/62/80/87/492628087.db2.gz YQOGSHPUCUCPOF-QWHCGFSZSA-N -2 0 359.375 0.805 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)CCc2ccc(F)cc2)C[C@@H]1C(=O)[O-] ZINC000656514876 492628284 /nfs/dbraw/zinc/62/82/84/492628284.db2.gz YQOGSHPUCUCPOF-OLZOCXBDSA-N -2 0 359.375 0.805 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)CCc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000650392778 492637873 /nfs/dbraw/zinc/63/78/73/492637873.db2.gz DWMYSNVKERLEDX-GFCCVEGCSA-N -2 0 357.384 0.401 20 0 FCADRL O=C([O-])c1cccc(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c1 ZINC000653311348 493092171 /nfs/dbraw/zinc/09/21/71/493092171.db2.gz QUKIZYSYRRJHTE-ZDUSSCGKSA-N -2 0 360.366 0.923 20 0 FCADRL CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O ZINC000653337330 493095201 /nfs/dbraw/zinc/09/52/01/493095201.db2.gz ZDNGXEBMMUQZBE-ZDUSSCGKSA-N -2 0 371.415 0.952 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)[O-] ZINC000681562864 493186939 /nfs/dbraw/zinc/18/69/39/493186939.db2.gz HUIALMLWEAXCRB-LLVKDONJSA-N -2 0 354.340 0.124 20 0 FCADRL Cc1cc2cccnc2c(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000681578148 493189121 /nfs/dbraw/zinc/18/91/21/493189121.db2.gz KAIBWEVKRHMPKX-LLVKDONJSA-N -2 0 352.368 0.997 20 0 FCADRL Cc1ccc2cccnc2c1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000681578731 493189749 /nfs/dbraw/zinc/18/97/49/493189749.db2.gz SGULEVUNDNGQED-LLVKDONJSA-N -2 0 352.368 0.997 20 0 FCADRL CN(CC1CC1)S(=O)(=O)N[C@@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684562052 493419352 /nfs/dbraw/zinc/41/93/52/493419352.db2.gz NGVIEWIYDQHSDQ-AWEZNQCLSA-N -2 0 370.427 0.486 20 0 FCADRL COCCN(CC(=O)[O-])C(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O ZINC000676208747 493530030 /nfs/dbraw/zinc/53/00/30/493530030.db2.gz DRXXLFVTDGKSNZ-UHFFFAOYSA-N -2 0 361.358 0.050 20 0 FCADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000663115541 493572176 /nfs/dbraw/zinc/57/21/76/493572176.db2.gz CNLHOYYIEIHMOY-DYZYQPBXSA-N -2 0 352.387 0.411 20 0 FCADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000663115781 493572391 /nfs/dbraw/zinc/57/23/91/493572391.db2.gz CNLHOYYIEIHMOY-QGHHPUGFSA-N -2 0 352.387 0.411 20 0 FCADRL CC(=O)N1Cc2ccc(S(=O)(=O)[N-]c3cnn(C)c3C(=O)[O-])cc2C1 ZINC000663257397 493581191 /nfs/dbraw/zinc/58/11/91/493581191.db2.gz LCIBLFURWSXHRZ-UHFFFAOYSA-N -2 0 364.383 0.781 20 0 FCADRL CCc1nc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cn1CC1CC1 ZINC000663286689 493581871 /nfs/dbraw/zinc/58/18/71/493581871.db2.gz SZUJOBRNIPBNRO-JTQLQIEISA-N -2 0 359.404 0.309 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)N(C)CC(=O)[O-])c2)no1 ZINC000738241248 596909290 /nfs/dbraw/zinc/90/92/90/596909290.db2.gz VRMUNYIQVBBSCI-UHFFFAOYSA-N -2 0 353.356 0.940 20 0 FCADRL CC(=O)NCCN(C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)[C@@H](C)C(=O)[O-] ZINC000262290049 597685454 /nfs/dbraw/zinc/68/54/54/597685454.db2.gz YGYKQDWIIYQDTD-LBPRGKRZSA-N -2 0 374.397 0.525 20 0 FCADRL O=C([O-])[C@@H]1CC(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)=NN1c1ccccc1 ZINC000821483475 598055379 /nfs/dbraw/zinc/05/53/79/598055379.db2.gz DDGKDIRFBVXJEQ-FZMZJTMJSA-N -2 0 369.385 0.625 20 0 FCADRL COCCOCCS(=O)(=O)[N-]c1cc(N(C)C)ccc1-c1nn[nH]n1 ZINC000826160837 607846252 /nfs/dbraw/zinc/84/62/52/607846252.db2.gz IVXCCJHNOMEVTK-UHFFFAOYSA-N -2 0 370.435 0.337 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc(SC)n[nH]1 ZINC000737688556 599883172 /nfs/dbraw/zinc/88/31/72/599883172.db2.gz MDDIFJWWFMLKIE-UHFFFAOYSA-N -2 0 372.384 0.812 20 0 FCADRL COC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)C(C)C ZINC000737634828 599885375 /nfs/dbraw/zinc/88/53/75/599885375.db2.gz XNVBNOKTZXMSEQ-LLVKDONJSA-N -2 0 358.372 0.570 20 0 FCADRL CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000737177459 599911867 /nfs/dbraw/zinc/91/18/67/599911867.db2.gz ONVCWLIQAYJTAI-MRVPVSSYSA-N -2 0 351.402 0.693 20 0 FCADRL CN(CCCC(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1)C(=O)[O-] ZINC000737426231 599912635 /nfs/dbraw/zinc/91/26/35/599912635.db2.gz ALGDARLBCOXBEK-UHFFFAOYSA-N -2 0 355.416 0.796 20 0 FCADRL CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cn1 ZINC000737544470 600056823 /nfs/dbraw/zinc/05/68/23/600056823.db2.gz KJNIFHXKJPIWQZ-UHFFFAOYSA-N -2 0 369.380 0.320 20 0 FCADRL O=C([O-])c1cccc2c1CCCN2C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000740240754 600150997 /nfs/dbraw/zinc/15/09/97/600150997.db2.gz FJWJAQPOYMELNF-UHFFFAOYSA-N -2 0 353.338 0.749 20 0 FCADRL Cc1cccc(C[C@@H](CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C(=O)[O-])c1 ZINC000738707967 600153865 /nfs/dbraw/zinc/15/38/65/600153865.db2.gz LRGBPYXGORGMHS-ZDUSSCGKSA-N -2 0 369.381 0.439 20 0 FCADRL C[C@@H](Sc1ccccc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)C(=O)[O-] ZINC000736714677 600170348 /nfs/dbraw/zinc/17/03/48/600170348.db2.gz YXPRQXZNOKFJCT-MWLCHTKSSA-N -2 0 363.399 0.979 20 0 FCADRL CCN(CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C(=O)OC(C)(C)C ZINC000737069553 600203193 /nfs/dbraw/zinc/20/31/93/600203193.db2.gz JIAWAIOBQOWCDR-UHFFFAOYSA-N -2 0 352.409 0.554 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(N)=O)c1C(=O)[O-] ZINC000738829226 600232758 /nfs/dbraw/zinc/23/27/58/600232758.db2.gz MUPPTNOATHCRIP-UHFFFAOYSA-N -2 0 358.763 0.969 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccn(Cc3ccncc3)n2)c1C(=O)[O-] ZINC000738827063 600235236 /nfs/dbraw/zinc/23/52/36/600235236.db2.gz HHWDUEPQUSGXDO-UHFFFAOYSA-N -2 0 362.371 0.857 20 0 FCADRL C[C@@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000736782885 600241772 /nfs/dbraw/zinc/24/17/72/600241772.db2.gz DNMFSKKNGAUBFA-DGCLKSJQSA-N -2 0 362.448 0.739 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cn2)c1C(=O)[O-] ZINC000738338538 600247154 /nfs/dbraw/zinc/24/71/54/600247154.db2.gz RBRVJHVUVKUDMC-UHFFFAOYSA-N -2 0 367.387 0.449 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c(C(=O)[O-])[nH]1 ZINC000738463441 600255746 /nfs/dbraw/zinc/25/57/46/600255746.db2.gz DDJVNIKUPANCCO-UHFFFAOYSA-N -2 0 364.339 0.352 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)CCCn1ccccc1=O ZINC000739243747 600272774 /nfs/dbraw/zinc/27/27/74/600272774.db2.gz LJPANTNGPHTSFO-UHFFFAOYSA-N -2 0 370.408 0.893 20 0 FCADRL O=C([O-])C[C@@H](NC(=O)c1cc(=O)[nH][n-]1)c1ccc(Br)cc1 ZINC000738564219 600359746 /nfs/dbraw/zinc/35/97/46/600359746.db2.gz SLJXSQZBQYNTHF-SECBINFHSA-N -2 0 354.160 0.957 20 0 FCADRL CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccn1 ZINC000737352989 600360460 /nfs/dbraw/zinc/36/04/60/600360460.db2.gz TWFLGHMABZRFCA-UHFFFAOYSA-N -2 0 355.397 0.766 20 0 FCADRL CN(CCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C(=O)[O-] ZINC000737429963 600376395 /nfs/dbraw/zinc/37/63/95/600376395.db2.gz RPSREZIJZNCMTC-UHFFFAOYSA-N -2 0 369.399 0.167 20 0 FCADRL CC[C@H](C(=O)[O-])N(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccccc1 ZINC000736853912 600388940 /nfs/dbraw/zinc/38/89/40/600388940.db2.gz VTDUUBJWZCRIGT-CYBMUJFWSA-N -2 0 355.354 0.968 20 0 FCADRL CS(=O)(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000738164183 600392757 /nfs/dbraw/zinc/39/27/57/600392757.db2.gz NLGKGKALFAIJCB-UHFFFAOYSA-N -2 0 374.396 0.828 20 0 FCADRL Cc1ccccc1[C@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])NC(N)=O ZINC000738758647 600461600 /nfs/dbraw/zinc/46/16/00/600461600.db2.gz QGRAFGCBQRVXMV-LBPRGKRZSA-N -2 0 371.415 0.405 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000739691296 600461620 /nfs/dbraw/zinc/46/16/20/600461620.db2.gz HEPRZRZBIRXINR-UHFFFAOYSA-N -2 0 357.388 0.175 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCc1nnc(-c2ccccc2)o1 ZINC000739692553 600461624 /nfs/dbraw/zinc/46/16/24/600461624.db2.gz RKOHFRGZZZBYPP-UHFFFAOYSA-N -2 0 367.383 0.980 20 0 FCADRL CC(=O)N[C@@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccc(C)cc1 ZINC000736147806 600462064 /nfs/dbraw/zinc/46/20/64/600462064.db2.gz YKQMJYSFUWPMEL-AWEZNQCLSA-N -2 0 370.427 0.873 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000739690823 600463238 /nfs/dbraw/zinc/46/32/38/600463238.db2.gz BQUIQPZUOMXRKQ-GFCCVEGCSA-N -2 0 368.411 0.888 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000739696013 600466440 /nfs/dbraw/zinc/46/64/40/600466440.db2.gz VJQSUNNFHPFQKW-VIFPVBQESA-N -2 0 360.354 0.572 20 0 FCADRL O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000739721143 600502584 /nfs/dbraw/zinc/50/25/84/600502584.db2.gz BPGRXUOOLVPTGQ-SNVBAGLBSA-N -2 0 362.342 0.532 20 0 FCADRL Cn1c2ccc(S(=O)(=O)[N-]c3cnccc3C(=O)[O-])cc2n(C)c1=O ZINC000739006373 600515386 /nfs/dbraw/zinc/51/53/86/600515386.db2.gz SSGATDPJWDDUID-UHFFFAOYSA-N -2 0 362.367 0.771 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c(F)c1 ZINC000324556607 600529330 /nfs/dbraw/zinc/52/93/30/600529330.db2.gz OAAPBTFTWRGIBQ-UHFFFAOYSA-N -2 0 356.335 0.866 20 0 FCADRL CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)s1 ZINC000736152688 600529590 /nfs/dbraw/zinc/52/95/90/600529590.db2.gz ROJMODNMAAUQFK-UHFFFAOYSA-N -2 0 372.428 0.509 20 0 FCADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cn1 ZINC000739912000 600531396 /nfs/dbraw/zinc/53/13/96/600531396.db2.gz ULJBNFOCOCEXJY-UHFFFAOYSA-N -3 0 365.367 0.955 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)ccc1-n1cnnn1 ZINC000326907188 600672796 /nfs/dbraw/zinc/67/27/96/600672796.db2.gz NDENRERIASUITL-UHFFFAOYSA-N -2 0 363.359 0.053 20 0 FCADRL CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000325117122 600673309 /nfs/dbraw/zinc/67/33/09/600673309.db2.gz OLRCWCPZTNZVDK-UHFFFAOYSA-N -2 0 352.372 0.470 20 0 FCADRL Cn1cnnc1-c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000326954124 600674152 /nfs/dbraw/zinc/67/41/52/600674152.db2.gz IGFFVIXSLXTSSR-UHFFFAOYSA-N -2 0 362.371 0.564 20 0 FCADRL NC(=O)CCNc1ccccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833082490 600687218 /nfs/dbraw/zinc/68/72/18/600687218.db2.gz TURQRMAVTMLDEY-UHFFFAOYSA-N -2 0 367.387 0.056 20 0 FCADRL O=C([O-])[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])C1 ZINC000819271170 600824494 /nfs/dbraw/zinc/82/44/94/600824494.db2.gz MUAWAFVBBVTUEF-LLVKDONJSA-N -2 0 368.411 0.723 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cn1C ZINC000831353111 600827760 /nfs/dbraw/zinc/82/77/60/600827760.db2.gz BRSKQPFBOSIEEA-UHFFFAOYSA-N -2 0 359.385 0.696 20 0 FCADRL CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000829508616 600941162 /nfs/dbraw/zinc/94/11/62/600941162.db2.gz WBMAZVPJAMIWSB-UHFFFAOYSA-N -2 0 362.429 0.948 20 0 FCADRL CCOc1cc(C(=O)[N-]S(=O)(=O)N(C)CC)ccc1OCC(=O)[O-] ZINC000830039104 600961856 /nfs/dbraw/zinc/96/18/56/600961856.db2.gz XCTYQUCQIOLLAZ-UHFFFAOYSA-N -2 0 360.388 0.475 20 0 FCADRL O=C([O-])[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000833179208 600962223 /nfs/dbraw/zinc/96/22/23/600962223.db2.gz NOXHMWCSYNVSJC-VHSXEESVSA-N -2 0 353.331 0.537 20 0 FCADRL CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ncn(CC(=O)[O-])n3)cc21 ZINC000825847623 600986153 /nfs/dbraw/zinc/98/61/53/600986153.db2.gz VHWMNLYTKUGMCF-UHFFFAOYSA-N -2 0 365.371 0.073 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1OCC ZINC000830094546 600986213 /nfs/dbraw/zinc/98/62/13/600986213.db2.gz LFPNKKPXKYWZAV-UHFFFAOYSA-N -2 0 370.387 0.961 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)n1 ZINC000833277538 600986349 /nfs/dbraw/zinc/98/63/49/600986349.db2.gz RKHXJWIHDXSXAT-UHFFFAOYSA-N -2 0 356.751 0.465 20 0 FCADRL CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1 ZINC000828570563 600986416 /nfs/dbraw/zinc/98/64/16/600986416.db2.gz LZUAVZZWRFTMMO-UHFFFAOYSA-N -2 0 353.360 0.512 20 0 FCADRL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c1 ZINC000831390920 600987014 /nfs/dbraw/zinc/98/70/14/600987014.db2.gz SAWIKZWGPWKSPI-UHFFFAOYSA-N -2 0 358.307 0.089 20 0 FCADRL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ncn(CC(=O)[O-])n1 ZINC000831226806 600987109 /nfs/dbraw/zinc/98/71/09/600987109.db2.gz RWYJNKVBVKFTDL-UHFFFAOYSA-N -2 0 354.344 0.259 20 0 FCADRL COC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])n1 ZINC000831192976 600987190 /nfs/dbraw/zinc/98/71/90/600987190.db2.gz XTWYHFYKHVCDTE-UHFFFAOYSA-N -2 0 354.344 0.259 20 0 FCADRL CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000825828867 601192371 /nfs/dbraw/zinc/19/23/71/601192371.db2.gz PMPOAFWROWICRI-MRXNPFEDSA-N -2 0 368.411 0.589 20 0 FCADRL CC(C)(O)COc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000826636862 601224528 /nfs/dbraw/zinc/22/45/28/601224528.db2.gz QRYOCAZYEGMSJK-UHFFFAOYSA-N -2 0 369.399 0.918 20 0 FCADRL Cc1oc(S(=O)(=O)[N-]c2cccc(OCC(N)=O)c2)cc1C(=O)[O-] ZINC000833029423 601232413 /nfs/dbraw/zinc/23/24/13/601232413.db2.gz ITRZXBJBLOYNGN-UHFFFAOYSA-N -2 0 354.340 0.951 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC000831192381 601330615 /nfs/dbraw/zinc/33/06/15/601330615.db2.gz JYFIWQJJICTJQR-QPJJXVBHSA-N -2 0 365.367 0.955 20 0 FCADRL C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000828495010 601341533 /nfs/dbraw/zinc/34/15/33/601341533.db2.gz UAVLNWNEYMTZEX-LLVKDONJSA-N -2 0 372.381 0.535 20 0 FCADRL CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)n1 ZINC000831000330 601361107 /nfs/dbraw/zinc/36/11/07/601361107.db2.gz CJYBCBKGKFDXPC-UHFFFAOYSA-N -2 0 367.387 0.140 20 0 FCADRL O=C([O-])c1cccc(OCc2noc(Cn3[n-]cc4c(=O)ncnc3-4)n2)c1 ZINC000833332909 601363811 /nfs/dbraw/zinc/36/38/11/601363811.db2.gz DNSNNSVKYUMYBP-UHFFFAOYSA-N -2 0 368.309 0.780 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])n1 ZINC000833082523 601484141 /nfs/dbraw/zinc/48/41/41/601484141.db2.gz UHEZBXGKJZZXDF-UHFFFAOYSA-N -2 0 373.778 0.306 20 0 FCADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cnn(-c2ncccn2)c1 ZINC000833345590 601485468 /nfs/dbraw/zinc/48/54/68/601485468.db2.gz DTNXJTIJEXLSCY-UHFFFAOYSA-N -2 0 352.357 0.618 20 0 FCADRL C[C@H](CN(C1CC1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000827450291 601512583 /nfs/dbraw/zinc/51/25/83/601512583.db2.gz VABXIBQFUOHJLO-SSDOTTSWSA-N -2 0 368.371 0.310 20 0 FCADRL Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833042425 601597831 /nfs/dbraw/zinc/59/78/31/601597831.db2.gz NAWQPIYHRIMRTF-UHFFFAOYSA-N -2 0 357.369 0.002 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)N[C@](C)(COC)C(=O)[O-])cc2[n-]c1=S ZINC000830411221 601696868 /nfs/dbraw/zinc/69/68/68/601696868.db2.gz CXMGZLKZDOUBSO-MRXNPFEDSA-N -2 0 365.411 0.925 20 0 FCADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H](CC(=O)[O-])C(=O)OC)n1 ZINC000830269694 601757196 /nfs/dbraw/zinc/75/71/96/601757196.db2.gz CWCTWKNVJXOMCJ-LLVKDONJSA-N -2 0 361.354 0.886 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)cc1C(=O)[O-] ZINC000833053642 601784417 /nfs/dbraw/zinc/78/44/17/601784417.db2.gz ZIEUXERVWFXMMG-UHFFFAOYSA-N -2 0 358.397 0.928 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cn1 ZINC000831000829 601837224 /nfs/dbraw/zinc/83/72/24/601837224.db2.gz NIAUHHZZNUELJZ-UHFFFAOYSA-N -2 0 373.778 0.177 20 0 FCADRL NC(=O)NCc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000833085185 601839076 /nfs/dbraw/zinc/83/90/76/601839076.db2.gz BWXQXPKJFYROHS-UHFFFAOYSA-N -2 0 356.385 0.810 20 0 FCADRL CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])n1 ZINC000830556924 601861083 /nfs/dbraw/zinc/86/10/83/601861083.db2.gz KPWGVPSYYHZVIN-UHFFFAOYSA-N -2 0 370.362 0.609 20 0 FCADRL CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000829973327 602076993 /nfs/dbraw/zinc/07/69/93/602076993.db2.gz WCKLEPDIEPDVDG-LBPRGKRZSA-N -2 0 365.411 0.784 20 0 FCADRL Cc1nonc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000833023564 602159511 /nfs/dbraw/zinc/15/95/11/602159511.db2.gz FQRZXWOBTLVGPR-UHFFFAOYSA-N -2 0 366.149 0.910 20 0 FCADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZINC000827303858 602188328 /nfs/dbraw/zinc/18/83/28/602188328.db2.gz JTIWJNTULKFRKC-CYBMUJFWSA-N -2 0 369.443 0.276 20 0 FCADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000827304519 602191826 /nfs/dbraw/zinc/19/18/26/602191826.db2.gz WSEZRQFDMHZOHH-LURJTMIESA-N -2 0 351.178 0.760 20 0 FCADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-])cn1 ZINC000832582767 602194999 /nfs/dbraw/zinc/19/49/99/602194999.db2.gz HNNLCKQTPUWMDF-JTQLQIEISA-N -2 0 367.383 0.797 20 0 FCADRL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)ccc1O ZINC000825890543 602196397 /nfs/dbraw/zinc/19/63/97/602196397.db2.gz PJFNPXNVBVEHPG-UHFFFAOYSA-N -2 0 354.344 0.433 20 0 FCADRL O=C([O-])Nc1ccc(CCNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1 ZINC000740016105 603455770 /nfs/dbraw/zinc/45/57/70/603455770.db2.gz BJSWMMSZSJMHCI-UHFFFAOYSA-N -2 0 356.342 0.520 20 0 FCADRL O=C([O-])NCCC(=O)[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000832599203 604162235 /nfs/dbraw/zinc/16/22/35/604162235.db2.gz FZAYKMDHLPKHTC-UHFFFAOYSA-N -2 0 352.372 0.394 20 0 FCADRL Cc1ccc(-n2nccc2[N-]S(=O)(=O)c2csnc2C(=O)[O-])nn1 ZINC000832910075 604623272 /nfs/dbraw/zinc/62/32/72/604623272.db2.gz ZTTCLGIDDUUIDN-UHFFFAOYSA-N -2 0 366.384 0.926 20 0 FCADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000827303981 604736119 /nfs/dbraw/zinc/73/61/19/604736119.db2.gz MXBDZNCYLSOCEX-UWVGGRQHSA-N -2 0 364.420 0.553 20 0 FCADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000827303984 604736250 /nfs/dbraw/zinc/73/62/50/604736250.db2.gz MXBDZNCYLSOCEX-ZJUUUORDSA-N -2 0 364.420 0.553 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccc([C@@H]3CNC(=O)C3)c2)cn1 ZINC000833274076 605010222 /nfs/dbraw/zinc/01/02/22/605010222.db2.gz NWGSCIRQSCQWDB-NSHDSACASA-N -2 0 364.383 0.372 20 0 FCADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)c1cnccn1 ZINC000055579883 666543490 /nfs/dbraw/zinc/54/34/90/666543490.db2.gz HVZWYFZJNOEZHV-UHFFFAOYSA-N -3 0 350.356 0.361 20 0 FCADRL C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])sc1Br)C(=O)[O-] ZINC000915185636 666824772 /nfs/dbraw/zinc/82/47/72/666824772.db2.gz JJOOWTZNZYKPPP-VKHMYHEASA-N -2 0 358.191 0.960 20 0 FCADRL CN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000915185809 666824929 /nfs/dbraw/zinc/82/49/29/666824929.db2.gz RHYSWNFXGJNVJL-UHFFFAOYSA-N -2 0 358.191 0.914 20 0 FCADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)cc1C(=O)[O-] ZINC000753777886 667565850 /nfs/dbraw/zinc/56/58/50/667565850.db2.gz AVMLYUQDFKPGQH-UHFFFAOYSA-N -2 0 370.362 0.705 20 0 FCADRL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1 ZINC000759600986 667813415 /nfs/dbraw/zinc/81/34/15/667813415.db2.gz YHOTZZLMMMIRGL-UHFFFAOYSA-N -2 0 370.353 0.726 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000759598697 667813464 /nfs/dbraw/zinc/81/34/64/667813464.db2.gz MYSDWTNRVFQVCC-UHFFFAOYSA-N -2 0 373.740 0.997 20 0 FCADRL Cc1[nH]nc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c1C(N)=O ZINC000760515030 667852198 /nfs/dbraw/zinc/85/21/98/667852198.db2.gz HLKSIRCTHFSRMY-UHFFFAOYSA-N -2 0 356.335 0.764 20 0 FCADRL COc1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c(OC)c1OC ZINC000737929473 667893848 /nfs/dbraw/zinc/89/38/48/667893848.db2.gz GKCQVPWWKPJIEY-UHFFFAOYSA-N -2 0 361.372 0.637 20 0 FCADRL CN(CC(=O)[O-])S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000771511569 668255331 /nfs/dbraw/zinc/25/53/31/668255331.db2.gz MYLGJMKWLRGMFQ-UHFFFAOYSA-N -2 0 358.191 0.914 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1c(Cl)nc2sccn21)C(=O)[O-] ZINC000776437529 668261680 /nfs/dbraw/zinc/26/16/80/668261680.db2.gz KWEVAXFVOAOIDX-YFKPBYRVSA-N -2 0 367.792 0.646 20 0 FCADRL CN1CCCc2ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc21 ZINC000776437584 668261871 /nfs/dbraw/zinc/26/18/71/668261871.db2.gz SQXUKUDAUBUHNC-GFCCVEGCSA-N -2 0 356.400 0.665 20 0 FCADRL COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000776445505 668263386 /nfs/dbraw/zinc/26/33/86/668263386.db2.gz YESVQMAANBUPDU-ZPMKCOPCSA-N -2 0 357.340 0.079 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccc2oc(=O)ccc2c1)C(=O)[O-] ZINC000776636212 668281358 /nfs/dbraw/zinc/28/13/58/668281358.db2.gz VTTXDHHWPRSIFQ-SECBINFHSA-N -2 0 355.324 0.247 20 0 FCADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000772201325 668293262 /nfs/dbraw/zinc/29/32/62/668293262.db2.gz MYYPFVANFZGOHU-FBIMIBRVSA-N -2 0 355.334 0.913 20 0 FCADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)c1 ZINC000820405219 669092302 /nfs/dbraw/zinc/09/23/02/669092302.db2.gz IJCVIRJPXZLHAL-XFNZEKPQSA-N -2 0 361.441 0.285 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)nc1Cl ZINC000799925911 669324349 /nfs/dbraw/zinc/32/43/49/669324349.db2.gz DOQPFNSOGXTJJM-UHFFFAOYSA-N -2 0 355.767 0.556 20 0 FCADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C(=O)[O-])cn1 ZINC000832583359 669910795 /nfs/dbraw/zinc/91/07/95/669910795.db2.gz RZDUFCULJGLENL-GHMZBOCLSA-N -2 0 365.367 0.407 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000815997692 669934320 /nfs/dbraw/zinc/93/43/20/669934320.db2.gz ULGCIQZECZSIOB-IUCAKERBSA-N -2 0 360.354 0.172 20 0 FCADRL CCc1cc([N-]S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)nn1C ZINC000817353399 670008114 /nfs/dbraw/zinc/00/81/14/670008114.db2.gz TXNYURKRKCLAAA-UHFFFAOYSA-N -2 0 366.399 0.598 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)c1ccc(F)cn1 ZINC000836043978 670029111 /nfs/dbraw/zinc/02/91/11/670029111.db2.gz NMITWHMIWLKEFQ-VIFPVBQESA-N -2 0 371.312 0.729 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)c1ccc(F)cn1 ZINC000836042580 670029196 /nfs/dbraw/zinc/02/91/96/670029196.db2.gz ABGLHJZLNNYDAC-UHFFFAOYSA-N -2 0 357.285 0.483 20 0 FCADRL CC(C)[C@@H](CO)O[N-]C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000836907715 670068135 /nfs/dbraw/zinc/06/81/35/670068135.db2.gz RWZAQJZNGCAFCX-LLVKDONJSA-N -2 0 352.359 0.308 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cncc(F)c1 ZINC000851700360 671460189 /nfs/dbraw/zinc/46/01/89/671460189.db2.gz BEYGYOOAUDKULT-ZJUUUORDSA-N -2 0 363.267 0.957 20 0 FCADRL CCc1nc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])no1 ZINC000852736822 671522000 /nfs/dbraw/zinc/52/20/00/671522000.db2.gz OOJNQUSSUQLSBM-OIBJUYFYSA-N -2 0 350.297 0.728 20 0 FCADRL Cc1nnsc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852958414 671533976 /nfs/dbraw/zinc/53/39/76/671533976.db2.gz KZHIBQNEYQIDLG-RNFRBKRXSA-N -2 0 366.321 0.583 20 0 FCADRL COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1C ZINC000863408094 672122202 /nfs/dbraw/zinc/12/22/02/672122202.db2.gz JUIUSLVOBFKOLP-SECBINFHSA-N -2 0 374.371 0.627 20 0 FCADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000863952157 672163572 /nfs/dbraw/zinc/16/35/72/672163572.db2.gz LZHDEDKRWBBCCW-OAHLLOKOSA-N -2 0 355.368 0.764 20 0 FCADRL CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)s1 ZINC000863954399 672164889 /nfs/dbraw/zinc/16/48/89/672164889.db2.gz XPDKAGGXDQXCMU-LLVKDONJSA-N -2 0 362.429 0.546 20 0 FCADRL CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)s1 ZINC000863954031 672164902 /nfs/dbraw/zinc/16/49/02/672164902.db2.gz JGUCGDAKWKXLOD-UHFFFAOYSA-N -2 0 374.440 0.487 20 0 FCADRL CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cn2)c1 ZINC000863958232 672166843 /nfs/dbraw/zinc/16/68/43/672166843.db2.gz QFYJHBOTDGYDDF-UHFFFAOYSA-N -2 0 352.372 0.751 20 0 FCADRL CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc1 ZINC000863961606 672168627 /nfs/dbraw/zinc/16/86/27/672168627.db2.gz SOQLOIKSRRUQLH-MRXNPFEDSA-N -2 0 368.411 0.493 20 0 FCADRL CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)s1 ZINC000863962001 672168963 /nfs/dbraw/zinc/16/89/63/672168963.db2.gz WQEITQOBPIQLPP-SFYZADRCSA-N -2 0 361.401 0.407 20 0 FCADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)nc1 ZINC000863963890 672170148 /nfs/dbraw/zinc/17/01/48/672170148.db2.gz JXRZKTNXARHUNV-JTQLQIEISA-N -2 0 366.355 0.056 20 0 FCADRL Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2[nH]nc(C)c2[O-])c1[O-] ZINC000976531706 1185976536 /nfs/dbraw/zinc/97/65/36/1185976536.db2.gz CVBXBZIDWXXVAL-NXEZZACHSA-N -2 0 362.390 0.632 20 0 FCADRL CC(=O)NCCCNC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000045138122 1196483276 /nfs/dbraw/zinc/48/32/76/1196483276.db2.gz OUXVJYALPMYALK-UHFFFAOYSA-N -2 0 360.374 0.048 20 0 FCADRL Cc1c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)nnn1-c1cccc2cnccc21 ZINC000816731663 1203076679 /nfs/dbraw/zinc/07/66/79/1203076679.db2.gz ZWOMJLOXPCRDGF-UHFFFAOYSA-N -2 0 352.314 0.511 20 0 FCADRL O=C(Cn1nc(C(=O)[N-]OCC2CCC2)ccc1=O)[N-]OCC1CCC1 ZINC000856350340 1209707154 /nfs/dbraw/zinc/70/71/54/1209707154.db2.gz GPTNHMBGRRKHDZ-UHFFFAOYSA-N -2 0 364.402 0.553 20 0 FCADRL O=C([O-])C[C@@H](C(=O)OCc1ccc(C(=O)NC2CC2)cc1)[C@@H](O)C(=O)[O-] ZINC001223824791 1225739151 /nfs/dbraw/zinc/73/91/51/1225739151.db2.gz VCFVDURDZDQBSG-TZMCWYRMSA-N -2 0 365.338 0.158 20 0 FCADRL COc1ccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(OC)c1OC ZINC001223908214 1225745510 /nfs/dbraw/zinc/74/55/10/1225745510.db2.gz QJVJDUWTPCSUMB-SKDRFNHKSA-N -2 0 372.326 0.292 20 0 FCADRL O=C([O-])C[C@@H](C(=O)OCc1ccccc1N1CCOCC1)[C@@H](O)C(=O)[O-] ZINC001224250077 1225768022 /nfs/dbraw/zinc/76/80/22/1225768022.db2.gz RKVGBNDUWHEALB-IUODEOHRSA-N -2 0 367.354 0.103 20 0 FCADRL Cc1cc(=O)oc2cc(O)cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c12 ZINC001226487020 1225844927 /nfs/dbraw/zinc/84/49/27/1225844927.db2.gz UDIFLOJKWFCYBG-RMLUDKJBSA-N -2 0 366.278 0.249 20 0 FCADRL Cc1cc(=O)oc2c1ccc(O)c2OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228622405 1225936680 /nfs/dbraw/zinc/93/66/80/1225936680.db2.gz IOSXLYFZTAVQSO-PELKAZGASA-N -2 0 366.278 0.249 20 0 FCADRL CC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2ncccc12 ZINC001229679650 1226026464 /nfs/dbraw/zinc/02/64/64/1226026464.db2.gz VVGSROYZVWJWSA-ABAIWWIYSA-N -2 0 361.306 0.879 20 0 FCADRL CC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2ncccc12 ZINC001229679651 1226026886 /nfs/dbraw/zinc/02/68/86/1226026886.db2.gz VVGSROYZVWJWSA-IAQYHMDHSA-N -2 0 361.306 0.879 20 0 FCADRL CC(=O)Nc1cccc(C(C)=O)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230927234 1226091867 /nfs/dbraw/zinc/09/18/67/1226091867.db2.gz JCLHSEHYAIHAKR-MFKMUULPSA-N -2 0 367.310 0.289 20 0 FCADRL COC(=O)c1cc(F)c(OC)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001231111696 1226099281 /nfs/dbraw/zinc/09/92/81/1226099281.db2.gz YACPUJWBQPEOAI-WRWORJQWSA-N -2 0 374.273 0.063 20 0 FCADRL COc1cc2c(ccnc2OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1F ZINC001234866487 1259564671 /nfs/dbraw/zinc/56/46/71/1259564671.db2.gz BUJGKKSQOKXPDZ-TVQRCGJNSA-N -2 0 367.285 0.824 20 0 FCADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2nc(N3CCOCC3)nc3c2CCN3)c1 ZINC001242159618 1259634725 /nfs/dbraw/zinc/63/47/25/1259634725.db2.gz NNMCFAIKIFLGPJ-UHFFFAOYSA-N -2 0 370.365 0.888 20 0 FCADRL O=C([O-])[C@H](CO)[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC001574817963 1271560158 /nfs/dbraw/zinc/56/01/58/1271560158.db2.gz ZCILQKOKPDBOOO-ZETCQYMHSA-N -2 0 364.173 0.919 20 0 FCADRL C[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])n1ccc2ccccc2c1=O ZINC001603173466 1287321693 /nfs/dbraw/zinc/32/16/93/1287321693.db2.gz MDPKCWJAOVFRCP-NXEZZACHSA-N -2 0 352.368 0.482 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCOc1ccc2c(c1)OCO2 ZINC001603201561 1287329640 /nfs/dbraw/zinc/32/96/40/1287329640.db2.gz IOQQHULJDZODEW-SECBINFHSA-N -2 0 359.356 0.493 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC001603204386 1287330515 /nfs/dbraw/zinc/33/05/15/1287330515.db2.gz ODADQKSKGBABDU-AEJSXWLSSA-N -2 0 364.420 0.599 20 0 FCADRL CC(C)[C@H](NC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl)C(=O)[O-] ZINC001603386781 1287364729 /nfs/dbraw/zinc/36/47/29/1287364729.db2.gz UZOUCXHRJWOZCJ-JTQLQIEISA-N -2 0 366.765 0.684 20 0 FCADRL CC(C)(C)n1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cn1 ZINC001603567381 1287426952 /nfs/dbraw/zinc/42/69/52/1287426952.db2.gz KULGLVUURIDZFI-UHFFFAOYSA-N -2 0 358.420 0.409 20 0 FCADRL CC(C)(C)OC(=O)NCC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001603638466 1287454048 /nfs/dbraw/zinc/45/40/48/1287454048.db2.gz ZWWQKLNNYFRHOM-UHFFFAOYSA-N -2 0 363.392 0.954 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)C[C@H](n1cccn1)C(F)(F)F)C(=O)[O-] ZINC001603660304 1287460934 /nfs/dbraw/zinc/46/09/34/1287460934.db2.gz OYLMOOJDRXSSSS-QMMMGPOBSA-N -2 0 371.337 0.933 20 0 FCADRL O=C(c1ncccc1O)N1CCC[C@H]1CNc1cnc(-c2nn[nH]n2)cn1 ZINC001582751619 1281976166 /nfs/dbraw/zinc/97/61/66/1281976166.db2.gz OZOWOTRKWUPCFF-JTQLQIEISA-N -2 0 367.373 0.474 20 0 FCADRL O=C(c1ncccc1O)N1CCCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001582751610 1281976469 /nfs/dbraw/zinc/97/64/69/1281976469.db2.gz OIUVWJUEMQPQAY-UHFFFAOYSA-N -2 0 367.373 0.110 20 0 FCADRL O=C(c1ncccc1O)N1CCCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001582751828 1281978616 /nfs/dbraw/zinc/97/86/16/1281978616.db2.gz YRYXTKCXIUHDSJ-UHFFFAOYSA-N -2 0 367.373 0.110 20 0 FCADRL O=C1c2ccccc2CCN1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001582791367 1282008959 /nfs/dbraw/zinc/00/89/59/1282008959.db2.gz ZRMINASZQRCNQX-UHFFFAOYSA-N -2 0 360.355 0.352 20 0 FCADRL C[C@@H](CS(=O)(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-])C(=O)[O-] ZINC001604209192 1287591636 /nfs/dbraw/zinc/59/16/36/1287591636.db2.gz GLWMTQSIFTVHTQ-ISVAXAHUSA-N -2 0 372.374 0.943 20 0 FCADRL CCCc1nc(C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)co1 ZINC001604246461 1287593054 /nfs/dbraw/zinc/59/30/54/1287593054.db2.gz JQXFVDREIGPASO-UHFFFAOYSA-N -2 0 370.329 0.913 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001589313989 1282838244 /nfs/dbraw/zinc/83/82/44/1282838244.db2.gz MGOXNMVVPRWHEP-UHFFFAOYSA-N -2 0 358.280 0.734 20 0 FCADRL C[C@@H]1C[C@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCC1=O ZINC001590184810 1283292038 /nfs/dbraw/zinc/29/20/38/1283292038.db2.gz JFUOEGTZFQFRKA-RKDXNWHRSA-N -2 0 371.357 0.664 20 0 FCADRL COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[nH]n2)c1 ZINC001591374991 1284511227 /nfs/dbraw/zinc/51/12/27/1284511227.db2.gz INBIJIORDFOMID-JIMOISOXSA-N -2 0 365.415 0.451 20 0 FCADRL COc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ncn(C(C)C)n1 ZINC001591506989 1284693075 /nfs/dbraw/zinc/69/30/75/1284693075.db2.gz UHGQATAZMLZDIG-UHFFFAOYSA-N -2 0 364.391 0.849 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1 ZINC001604701160 1287739287 /nfs/dbraw/zinc/73/92/87/1287739287.db2.gz AJPBDCSGDPTRPH-LVFLEHKBSA-N -2 0 360.432 0.333 20 0 FCADRL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC001591795304 1284910319 /nfs/dbraw/zinc/91/03/19/1284910319.db2.gz YQVSKICDBWPGPP-JTQLQIEISA-N -2 0 374.401 0.981 20 0 FCADRL Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1[C@H](C)SC[C@@H]1C(=O)[O-] ZINC001591870813 1284957378 /nfs/dbraw/zinc/95/73/78/1284957378.db2.gz SYPCQCMOXXXICO-WCBMZHEXSA-N -2 0 369.428 0.712 20 0 FCADRL Cc1ccc(CN(C)Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)nc1 ZINC001592152324 1285161292 /nfs/dbraw/zinc/16/12/92/1285161292.db2.gz LIMYNSSRSMUJRJ-UHFFFAOYSA-N -2 0 351.374 0.950 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)Cc2ccccc2C(=O)[O-])[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC001604802567 1287786376 /nfs/dbraw/zinc/78/63/76/1287786376.db2.gz HJCVPBMMSHCJAQ-GIPNMCIBSA-N -2 0 357.384 0.777 20 0 FCADRL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)cc1F ZINC001592735871 1285646867 /nfs/dbraw/zinc/64/68/67/1285646867.db2.gz LLLUZUHIHYZBMC-UHFFFAOYSA-N -2 0 352.307 0.499 20 0 FCADRL O=C([O-])C1(CNS(=O)(=O)c2ccsc2-c2nnn[n-]2)CCOCC1 ZINC001593276788 1286060275 /nfs/dbraw/zinc/06/02/75/1286060275.db2.gz SMJYXRKPAHFADX-UHFFFAOYSA-N -2 0 373.416 0.088 20 0 FCADRL O=C([O-])CC[C@H]1CCCN1S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001593278548 1286061733 /nfs/dbraw/zinc/06/17/33/1286061733.db2.gz LVEBGGRYZSMYQV-MRVPVSSYSA-N -2 0 357.417 0.946 20 0 FCADRL O=C([O-])c1csc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)n1 ZINC001593281943 1286064714 /nfs/dbraw/zinc/06/47/14/1286064714.db2.gz OHAFHSLBNVGCAZ-UHFFFAOYSA-N -2 0 356.345 0.093 20 0 FCADRL O=C([O-])CCC1CCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CC1 ZINC001595019846 1286238449 /nfs/dbraw/zinc/23/84/49/1286238449.db2.gz NDXYYLSYAJSWMH-UHFFFAOYSA-N -2 0 360.370 0.983 20 0 FCADRL Cc1c([C@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2)C(=O)[O-])cnn1C ZINC001600010087 1286423086 /nfs/dbraw/zinc/42/30/86/1286423086.db2.gz VOOOTMBQBOQHPL-LBPRGKRZSA-N -2 0 353.356 0.531 20 0 FCADRL Cc1c(S(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)coc1C(=O)N(C)C ZINC001600058247 1286434068 /nfs/dbraw/zinc/43/40/68/1286434068.db2.gz YDLHHHNBKNBYSM-UHFFFAOYSA-N -2 0 354.344 0.579 20 0 FCADRL Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3ccc(C(=O)[O-])cc3F)nc2n1 ZINC001600065293 1286434971 /nfs/dbraw/zinc/43/49/71/1286434971.db2.gz AQZZGXJVNWTSBX-UHFFFAOYSA-N -2 0 367.318 0.364 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])c(C)n1Cc1ccccn1 ZINC001600096704 1286440676 /nfs/dbraw/zinc/44/06/76/1286440676.db2.gz ZDFHMQUHLXULIP-UHFFFAOYSA-N -2 0 351.384 0.692 20 0 FCADRL Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001600180821 1286451302 /nfs/dbraw/zinc/45/13/02/1286451302.db2.gz VUIXTTJGHKUOKH-UHFFFAOYSA-N -2 0 368.415 0.825 20 0 FCADRL Cc1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C2CCOCC2)oc1C(=O)[O-] ZINC001600297950 1286471798 /nfs/dbraw/zinc/47/17/98/1286471798.db2.gz VKVGBFGHUPSBLJ-SNVBAGLBSA-N -2 0 361.372 0.834 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600475659 1286492786 /nfs/dbraw/zinc/49/27/86/1286492786.db2.gz BRRHMBXJUDTFTB-CMPLNLGQSA-N -3 0 371.367 0.489 20 0 FCADRL Cc1cccc2c(=O)n(CCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cnc12 ZINC001600552902 1286506838 /nfs/dbraw/zinc/50/68/38/1286506838.db2.gz UDZBRUJYFVBMBE-JTQLQIEISA-N -2 0 367.383 0.014 20 0 FCADRL Cc1cnn(C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])s2)C(=O)[O-])c1 ZINC001600636625 1286518076 /nfs/dbraw/zinc/51/80/76/1286518076.db2.gz IKMWBYWAFLXYES-MRVPVSSYSA-N -2 0 359.385 0.383 20 0 FCADRL Cc1[nH]nc(C(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])c1[O-] ZINC001600665856 1286521130 /nfs/dbraw/zinc/52/11/30/1286521130.db2.gz SIUSLXWSHJTPMK-SNVBAGLBSA-N -2 0 368.390 0.960 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)N2CCC[C@@H](C[C@H](C)C(=O)[O-])C2)c1C(=O)[O-] ZINC001600673036 1286524145 /nfs/dbraw/zinc/52/41/45/1286524145.db2.gz SGWYEGNXBTXDET-WPRPVWTQSA-N -2 0 359.404 0.928 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)c1C(=O)[O-] ZINC001600672778 1286524184 /nfs/dbraw/zinc/52/41/84/1286524184.db2.gz KNWBWZFGNZXRDL-WDEREUQCSA-N -2 0 371.415 0.928 20 0 FCADRL Cc1nc(CNS(=O)(=O)c2scnc2C(=O)[O-])ccc1C(=O)[O-] ZINC001600701766 1286529552 /nfs/dbraw/zinc/52/95/52/1286529552.db2.gz NVVXHNIWSROVDA-UHFFFAOYSA-N -2 0 357.369 0.721 20 0 FCADRL Cc1nc(S(=O)(=O)[N-][C@H]2CCO[C@H]2C(=O)[O-])sc1Br ZINC001600716412 1286531013 /nfs/dbraw/zinc/53/10/13/1286531013.db2.gz LMWONNQPLKENEU-NTSWFWBYSA-N -2 0 371.234 0.734 20 0 FCADRL Cc1ncc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cc1C(=O)[O-] ZINC001600745889 1286536021 /nfs/dbraw/zinc/53/60/21/1286536021.db2.gz SECYFSMZNGVVFC-SECBINFHSA-N -2 0 367.387 0.480 20 0 FCADRL Cc1ncc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cc1C(=O)[O-] ZINC001600745893 1286536040 /nfs/dbraw/zinc/53/60/40/1286536040.db2.gz SECYFSMZNGVVFC-VIFPVBQESA-N -2 0 367.387 0.480 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]c2cc(F)ccc2C(=O)N[C@H](C)C(=O)[O-])c[nH]1 ZINC001600746678 1286536292 /nfs/dbraw/zinc/53/62/92/1286536292.db2.gz FNEMRJIKYXGSDI-SSDOTTSWSA-N -2 0 370.362 0.861 20 0 FCADRL Cc1nn(C)c2ncc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])cc12 ZINC001600775964 1286541678 /nfs/dbraw/zinc/54/16/78/1286541678.db2.gz MOHATOZVTFIGPW-CBAPKCEASA-N -2 0 354.388 0.446 20 0 FCADRL Cc1nn2c([n-]nc2S[C@@H](CNC(=O)c2ccccc2)C(=O)[O-])nc1=O ZINC001600790530 1286546119 /nfs/dbraw/zinc/54/61/19/1286546119.db2.gz JTQPTFZYDIZTEZ-JTQLQIEISA-N -2 0 374.382 0.096 20 0 FCADRL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cccc(OCC(=O)[O-])c1 ZINC001600810124 1286549870 /nfs/dbraw/zinc/54/98/70/1286549870.db2.gz VKNUSTPIBJGYJL-UHFFFAOYSA-N -2 0 354.340 0.874 20 0 FCADRL Cc1oc(S(C)(=O)=O)cc1C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001600856840 1286559046 /nfs/dbraw/zinc/55/90/46/1286559046.db2.gz OWZQXZYSALIZQQ-UHFFFAOYSA-N -2 0 367.401 0.162 20 0 FCADRL Cn1cc([C@H](NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)C(=O)[O-])cn1 ZINC001600939918 1286575189 /nfs/dbraw/zinc/57/51/89/1286575189.db2.gz KOJLGUARDXTDNB-LBPRGKRZSA-N -2 0 353.356 0.364 20 0 FCADRL Cn1cc(CC(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c(Cl)n1 ZINC001600948890 1286577580 /nfs/dbraw/zinc/57/75/80/1286577580.db2.gz VVTZEORRGVYECY-UHFFFAOYSA-N -2 0 363.804 0.881 20 0 FCADRL Cn1cnnc1-c1cncc([N-]S(=O)(=O)c2scnc2C(=O)[O-])c1 ZINC001600994786 1286592260 /nfs/dbraw/zinc/59/22/60/1286592260.db2.gz VNDRCTWGSQOTTM-UHFFFAOYSA-N -2 0 366.384 0.833 20 0 FCADRL Cn1nc(C(=O)[O-])cc1NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC001601007440 1286596433 /nfs/dbraw/zinc/59/64/33/1286596433.db2.gz YQGAXAQGFZCKBG-UHFFFAOYSA-N -2 0 356.335 0.881 20 0 FCADRL Cn1[n-]c(C(=O)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1=O ZINC001601012964 1286598462 /nfs/dbraw/zinc/59/84/62/1286598462.db2.gz SCBFZVZTNIHQMY-MRVPVSSYSA-N -2 0 350.356 0.421 20 0 FCADRL Nc1cn[n-]c(=NNS(=O)(=O)c2cccc(CC(=O)[O-])c2)c1Cl ZINC001601218164 1286701014 /nfs/dbraw/zinc/70/10/14/1286701014.db2.gz GNJGFJJUEDUKKP-UHFFFAOYSA-N -2 0 357.779 0.645 20 0 FCADRL O=C([O-])[C@H](CNC(=O)CCCn1c(=O)[n-][nH]c1=O)c1ccc(F)cc1 ZINC001601271568 1286709611 /nfs/dbraw/zinc/70/96/11/1286709611.db2.gz GHYIGRIELZLTRD-LLVKDONJSA-N -2 0 352.322 0.593 20 0 FCADRL O=C([O-])c1ccc2c(c1)CC[C@@H](NC(=O)CCCc1nnn[n-]1)C(=O)N2 ZINC001601271809 1286710234 /nfs/dbraw/zinc/71/02/34/1286710234.db2.gz HLTJZQQDORJKLG-GFCCVEGCSA-N -2 0 358.358 0.290 20 0 FCADRL O=C([O-])c1ccc(NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)cn1 ZINC001601327641 1286729109 /nfs/dbraw/zinc/72/91/09/1286729109.db2.gz STKIJTNTDKXVHR-UHFFFAOYSA-N -2 0 371.321 0.975 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)COCc2ccccn2)cc1 ZINC001601338109 1286731071 /nfs/dbraw/zinc/73/10/71/1286731071.db2.gz GLIZYBVMTXRNIE-UHFFFAOYSA-N -2 0 364.379 0.943 20 0 FCADRL O=C([O-])c1cnc(S(=O)(=O)CC(=O)NCc2cc(F)cc(F)c2)[n-]1 ZINC001601346821 1286732702 /nfs/dbraw/zinc/73/27/02/1286732702.db2.gz FMVNRIGXCQDTIJ-UHFFFAOYSA-N -2 0 359.310 0.476 20 0 FCADRL O=C([O-])[C@@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc(F)cc1 ZINC001601378854 1286736862 /nfs/dbraw/zinc/73/68/62/1286736862.db2.gz LHZOPTFBCRHORZ-NSHDSACASA-N -2 0 359.317 0.195 20 0 FCADRL O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001601407734 1286740941 /nfs/dbraw/zinc/74/09/41/1286740941.db2.gz ZSVBUZAVBGDHCL-QMMMGPOBSA-N -2 0 360.248 0.402 20 0 FCADRL O=C([O-])c1ccc2c(c1)CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)CC2 ZINC001601450586 1286754320 /nfs/dbraw/zinc/75/43/20/1286754320.db2.gz OLBPBWFMYFPFOE-HNNXBMFYSA-N -2 0 374.393 0.887 20 0 FCADRL O=C([O-])[C@H](CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)c1ccccc1 ZINC001601454382 1286755312 /nfs/dbraw/zinc/75/53/12/1286755312.db2.gz CUKFOPFJYZBSQB-CQSZACIVSA-N -2 0 368.349 0.864 20 0 FCADRL O=C([O-])c1ccccc1CCNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001601513069 1286774768 /nfs/dbraw/zinc/77/47/68/1286774768.db2.gz BDQVBWMTYPZGSP-UHFFFAOYSA-N -2 0 368.349 0.937 20 0 FCADRL O=C([O-])[C@@]1(C[N-]S(=O)(=O)c2occc2Br)CCOC1 ZINC001601711606 1286812448 /nfs/dbraw/zinc/81/24/48/1286812448.db2.gz XQEMECGPGRXSIW-SNVBAGLBSA-N -2 0 354.178 0.812 20 0 FCADRL O=C([O-])[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H]([C@@H]2CCCO2)C1 ZINC001601822335 1286842692 /nfs/dbraw/zinc/84/26/92/1286842692.db2.gz AWZBAUIDHJRHQH-WOPDTQHZSA-N -2 0 368.390 0.340 20 0 FCADRL O=C([O-])[C@H]1c2ccccc2OCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001601872608 1286860223 /nfs/dbraw/zinc/86/02/23/1286860223.db2.gz PSNNECZKAWREFV-CYBMUJFWSA-N -2 0 362.342 0.516 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C1CCOCC1 ZINC001601908846 1286866025 /nfs/dbraw/zinc/86/60/25/1286866025.db2.gz RSBHTJIOEQRZRF-SNVBAGLBSA-N -2 0 363.413 0.995 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])C1CCOCC1 ZINC001601906581 1286866608 /nfs/dbraw/zinc/86/66/08/1286866608.db2.gz LVHPCDCVSMFQPF-RWMBFGLXSA-N -2 0 363.432 0.819 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccccn1 ZINC001601908836 1286866766 /nfs/dbraw/zinc/86/67/66/1286866766.db2.gz ROJVSTUHDXJOLU-LBPRGKRZSA-N -2 0 357.388 0.228 20 0 FCADRL O=C([O-])C[C@@H](O)CNC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC001601911045 1286869567 /nfs/dbraw/zinc/86/95/67/1286869567.db2.gz SCGVOYIFYQZNPD-SECBINFHSA-N -2 0 370.305 0.514 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC001601915316 1286870301 /nfs/dbraw/zinc/87/03/01/1286870301.db2.gz UMKDHMXXINPDTH-AWEZNQCLSA-N -3 0 357.340 0.325 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC001601915479 1286871212 /nfs/dbraw/zinc/87/12/12/1286871212.db2.gz XBPQDKXCZDUBBC-LBPRGKRZSA-N -3 0 363.369 0.386 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)NC[C@H](Cc2cccnc2)C(=O)[O-])CC1 ZINC001601921974 1286872128 /nfs/dbraw/zinc/87/21/28/1286872128.db2.gz OBKTXGFGOBZMHL-LBPRGKRZSA-N -2 0 356.400 0.499 20 0 FCADRL O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)C1 ZINC001601949532 1286882250 /nfs/dbraw/zinc/88/22/50/1286882250.db2.gz IAOCJOPNPRXMBL-RYUDHWBXSA-N -2 0 352.387 0.413 20 0 FCADRL O=C([O-])C[C@@H]1CN(C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)CCO1 ZINC001601961985 1286886438 /nfs/dbraw/zinc/88/64/38/1286886438.db2.gz CRMQUIGDUBQOCZ-SECBINFHSA-N -2 0 364.276 0.774 20 0 FCADRL O=C([O-])CCC1CCN(C(=O)C(=O)N2CCSC[C@@H](C(=O)[O-])C2)CC1 ZINC001601977114 1286892228 /nfs/dbraw/zinc/89/22/28/1286892228.db2.gz XIAOCQRBIRUXKB-LBPRGKRZSA-N -2 0 372.443 0.366 20 0 FCADRL O=C([O-])CCC[C@H]1CCCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001601981977 1286892238 /nfs/dbraw/zinc/89/22/38/1286892238.db2.gz XMFPQJIZXBYFCF-LLVKDONJSA-N -2 0 359.404 0.766 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)c1nnn(-c2ccccc2)c1C(F)F ZINC001602028188 1286908715 /nfs/dbraw/zinc/90/87/15/1286908715.db2.gz OXXSFFHKNGFKFV-UHFFFAOYSA-N -2 0 374.325 0.739 20 0 FCADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2ccnc3ncnn32)cc1 ZINC001602028014 1286908749 /nfs/dbraw/zinc/90/87/49/1286908749.db2.gz NQKMDOKIKDPBKG-UHFFFAOYSA-N -2 0 363.355 0.779 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC001602027964 1286908856 /nfs/dbraw/zinc/90/88/56/1286908856.db2.gz LYQPQMJSWZARFI-UHFFFAOYSA-N -2 0 360.363 0.197 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC001602097151 1286934627 /nfs/dbraw/zinc/93/46/27/1286934627.db2.gz MJAWRDFDOOKBFA-UHFFFAOYSA-N -2 0 365.289 0.586 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)CCc1cccc(Br)c1 ZINC001602097875 1286935800 /nfs/dbraw/zinc/93/58/00/1286935800.db2.gz XLHJAINEXIXNPK-UHFFFAOYSA-N -2 0 350.190 0.912 20 0 FCADRL O=C([O-])Cc1ccc(CCNS(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1 ZINC001602118459 1286940650 /nfs/dbraw/zinc/94/06/50/1286940650.db2.gz FULSSMKOIXRGJK-UHFFFAOYSA-N -2 0 353.356 0.256 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)N2CCc3cccc(C(=O)[O-])c3C2)cn1 ZINC001602163682 1286953190 /nfs/dbraw/zinc/95/31/90/1286953190.db2.gz VKBGSBUDMMUNKM-UHFFFAOYSA-N -2 0 365.367 0.413 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccccc2[C@@H]2CCC(=O)N2)cn1 ZINC001602164923 1286954933 /nfs/dbraw/zinc/95/49/33/1286954933.db2.gz RBPCUBGQXSXJQG-LBPRGKRZSA-N -2 0 364.383 0.720 20 0 FCADRL O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1ccc([O-])c(Cl)c1 ZINC001602200096 1286966306 /nfs/dbraw/zinc/96/63/06/1286966306.db2.gz ZAXFCXQPLKGMJX-WPRPVWTQSA-N -2 0 367.745 0.265 20 0 FCADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CCCO[C@H]32)c1F ZINC001602228413 1286972377 /nfs/dbraw/zinc/97/23/77/1286972377.db2.gz OIQRABMRYTVAFH-AKGNYGMASA-N -2 0 361.322 0.893 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ccc1F ZINC001602292371 1286983517 /nfs/dbraw/zinc/98/35/17/1286983517.db2.gz JMJGXPGUVIVJHB-XLKFXECMSA-N -2 0 359.331 0.246 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)NC[C@@H](Cc2cccnc2)C(=O)[O-])c[nH]1 ZINC001602294861 1286984583 /nfs/dbraw/zinc/98/45/83/1286984583.db2.gz ZMVUIUSUHNKNDO-SNVBAGLBSA-N -2 0 353.356 0.330 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c(F)cc1Cl ZINC001602295373 1286986363 /nfs/dbraw/zinc/98/63/63/1286986363.db2.gz UXYZMJZIUKJECY-QMMMGPOBSA-N -2 0 355.727 0.291 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@]3(CCOC3)C2)cc1 ZINC001602393934 1286994063 /nfs/dbraw/zinc/99/40/63/1286994063.db2.gz FHJCBEXWGVOHDB-WFASDCNBSA-N -2 0 355.368 0.497 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccccc2)s1 ZINC001602396652 1286996067 /nfs/dbraw/zinc/99/60/67/1286996067.db2.gz XDEGARRGJFITCK-RYUDHWBXSA-N -2 0 371.392 0.911 20 0 FCADRL O=C([O-])c1cccc(NC2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)c1 ZINC001602446386 1287002271 /nfs/dbraw/zinc/00/22/71/1287002271.db2.gz QNSBBWGMZHBDQL-UHFFFAOYSA-N -2 0 359.342 0.698 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC001602440342 1287002447 /nfs/dbraw/zinc/00/24/47/1287002447.db2.gz LGSLUGOMYUSZQI-GFCCVEGCSA-N -2 0 353.356 0.223 20 0 FCADRL O=C([O-])c1cccc2c1CN(C(=O)Cn1[n-]cc3c(=O)ncnc1-3)CC2 ZINC001602457897 1287004803 /nfs/dbraw/zinc/00/48/03/1287004803.db2.gz CGRYFNLRUFFBQM-UHFFFAOYSA-N -2 0 353.338 0.354 20 0 FCADRL O=C([O-])c1ccnc(C(=O)[N-]S(=O)(=O)N2CCc3sccc3C2)c1 ZINC001602481725 1287008033 /nfs/dbraw/zinc/00/80/33/1287008033.db2.gz IIFTZXHPUNYCTQ-UHFFFAOYSA-N -2 0 367.408 0.874 20 0 FCADRL O=C([O-])c1cn([C@H]2CCCN(C(=O)c3cnc(C4CC4)[nH]c3=O)C2)nn1 ZINC001602495780 1287013168 /nfs/dbraw/zinc/01/31/68/1287013168.db2.gz UQXOLUHJEKQVLH-JTQLQIEISA-N -2 0 358.358 0.827 20 0 FCADRL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]c1nc(-c2ccncc2)ns1 ZINC001602507281 1287019393 /nfs/dbraw/zinc/01/93/93/1287019393.db2.gz WLEVHPPBBVJPDR-UHFFFAOYSA-N -2 0 352.357 0.822 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2C(=O)C2CC2)c1 ZINC001602557506 1287025008 /nfs/dbraw/zinc/02/50/08/1287025008.db2.gz YGBDPWMZNXGEPH-JTQLQIEISA-N -2 0 356.356 0.184 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2cccc(N3C(=O)CNC3=O)c2)c1 ZINC001602557817 1287025525 /nfs/dbraw/zinc/02/55/25/1287025525.db2.gz FNLWOVSTHBRJOX-UHFFFAOYSA-N -2 0 365.323 0.835 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001602583770 1287031413 /nfs/dbraw/zinc/03/14/13/1287031413.db2.gz QYKMKVINUWGKCL-LURJTMIESA-N -2 0 359.389 0.233 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCCS1(=O)=O ZINC001602599371 1287033147 /nfs/dbraw/zinc/03/31/47/1287033147.db2.gz WGOCJGRNTUXCEZ-QMMMGPOBSA-N -2 0 367.426 0.219 20 0 FCADRL O=C([O-])C(F)=C(NCc1ccccc1F)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001602656117 1287052168 /nfs/dbraw/zinc/05/21/68/1287052168.db2.gz KTBHGFQDCWYHPO-SECBINFHSA-N -2 0 355.322 0.123 20 0 FCADRL COC(=O)[C@@H](NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C(C)(C)C ZINC001604957757 1287819150 /nfs/dbraw/zinc/81/91/50/1287819150.db2.gz QUPOSUVJSCIFCB-LLVKDONJSA-N -2 0 360.378 0.292 20 0 FCADRL CSc1[nH]c(=O)c(C(=O)[N-]OC[C@H]2CCOC2)cc1-c1nnn[n-]1 ZINC001605380201 1287945390 /nfs/dbraw/zinc/94/53/90/1287945390.db2.gz DKXACBBZLQMEHA-ZETCQYMHSA-N -2 0 352.376 0.387 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCO[C@@H]3C(=O)[O-])cc2[n-]c1=S ZINC001605911061 1288102553 /nfs/dbraw/zinc/10/25/53/1288102553.db2.gz HMMNSFMMTDQLRI-PWSUYJOCSA-N -2 0 363.395 0.677 20 0 FCADRL CCn1cnnc1-c1ccccc1NC(=O)C(=O)[N-]OCCCC(=O)[O-] ZINC001605932913 1288104817 /nfs/dbraw/zinc/10/48/17/1288104817.db2.gz QXEPWGDUMHENCH-UHFFFAOYSA-N -2 0 361.358 0.816 20 0 FCADRL CN([C@@H](C(=O)[O-])c1ccccc1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001605989447 1288120556 /nfs/dbraw/zinc/12/05/56/1288120556.db2.gz LDTJAKQTIVLNBH-CYBMUJFWSA-N -2 0 353.356 0.414 20 0 FCADRL CN(CC(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1)C(=O)C1CC1 ZINC001606080989 1288157334 /nfs/dbraw/zinc/15/73/34/1288157334.db2.gz CBNVRPZIJSCWAG-UHFFFAOYSA-N -2 0 355.372 0.026 20 0 FCADRL CN(CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)[C@H]1CCSC1 ZINC001606081375 1288157565 /nfs/dbraw/zinc/15/75/65/1288157565.db2.gz LEHRQNARXDGRDC-QMMMGPOBSA-N -2 0 364.470 0.689 20 0 FCADRL CN1CCc2cc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)ccc2C1=O ZINC001606249945 1288235305 /nfs/dbraw/zinc/23/53/05/1288235305.db2.gz GPTHDTXIBRMQMN-UHFFFAOYSA-N -2 0 364.383 0.397 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C)c1ccn(C)n1 ZINC001606342201 1288264341 /nfs/dbraw/zinc/26/43/41/1288264341.db2.gz MCBFNVSZESSUHF-ZDUSSCGKSA-N -2 0 367.383 0.619 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1C(=O)[O-])c1ccn(C)n1 ZINC001606343401 1288265037 /nfs/dbraw/zinc/26/50/37/1288265037.db2.gz UWEZEAUDPSCTAM-ZDUSSCGKSA-N -2 0 367.383 0.619 20 0 FCADRL COC(=O)CC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1)C(=O)[O-] ZINC001606460826 1288328722 /nfs/dbraw/zinc/32/87/22/1288328722.db2.gz VRFMXQUYTHAUFM-JTQLQIEISA-N -2 0 363.319 0.209 20 0 FCADRL COC(=O)COc1c(C)cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1C ZINC001606474453 1288335094 /nfs/dbraw/zinc/33/50/94/1288335094.db2.gz ZUPGZAOGTYLJDD-JTQLQIEISA-N -2 0 373.383 0.388 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@H](C)CCC(=O)[O-])c1 ZINC001606531538 1288366152 /nfs/dbraw/zinc/36/61/52/1288366152.db2.gz NXQXMGRFXAAGTM-SECBINFHSA-N -2 0 373.383 0.951 20 0 FCADRL O=C(CCc1cncs1)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001606536225 1288370094 /nfs/dbraw/zinc/37/00/94/1288370094.db2.gz ZSUVMOVBSMQHDR-UHFFFAOYSA-N -2 0 372.370 0.748 20 0 FCADRL COC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1C(=O)[O-] ZINC001606595184 1288400998 /nfs/dbraw/zinc/40/09/98/1288400998.db2.gz NJXYKDMGFJKFLX-LLVKDONJSA-N -2 0 364.310 0.186 20 0 FCADRL COC(=O)c1ncc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1Cl ZINC001606635586 1288418446 /nfs/dbraw/zinc/41/84/46/1288418446.db2.gz HKZYPZBEPYBMNN-UHFFFAOYSA-N -2 0 374.762 0.604 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001606637107 1288418911 /nfs/dbraw/zinc/41/89/11/1288418911.db2.gz VBLBTRCXFOTSTQ-XAVMHZPKSA-N -2 0 360.413 0.707 20 0 FCADRL CO[C@@H](C[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCCC1)C(=O)[O-])C1CC1 ZINC001606668612 1288431326 /nfs/dbraw/zinc/43/13/26/1288431326.db2.gz NKPNKSMVOCYELM-NEPJUHHUSA-N -2 0 363.432 0.819 20 0 FCADRL CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1n[nH]c(CC(=O)[O-])n1 ZINC001606686211 1288439994 /nfs/dbraw/zinc/43/99/94/1288439994.db2.gz NEFMOLVTEHTURV-NSHDSACASA-N -2 0 372.378 0.570 20 0 FCADRL COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001606777298 1288507764 /nfs/dbraw/zinc/50/77/64/1288507764.db2.gz ODDKPLGXFNIRRX-GFCCVEGCSA-N -2 0 357.384 0.523 20 0 FCADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])c1 ZINC001606942440 1288570992 /nfs/dbraw/zinc/57/09/92/1288570992.db2.gz NRBQESOHOZTPFZ-NSHDSACASA-N -2 0 361.397 0.679 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]2CCN(S(=O)(=O)c3ccsc3-c3nnn[n-]3)C[C@@H]21 ZINC001606957385 1288574515 /nfs/dbraw/zinc/57/45/15/1288574515.db2.gz AZXTZVWSWDOZIK-BKPPORCPSA-N -2 0 355.401 0.269 20 0 FCADRL O=C([O-])[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)c1cccc(F)c1 ZINC001606960874 1288576680 /nfs/dbraw/zinc/57/66/80/1288576680.db2.gz UMIKVAWMGMSZJK-LLVKDONJSA-N -2 0 367.318 0.703 20 0 FCADRL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001606962080 1288578132 /nfs/dbraw/zinc/57/81/32/1288578132.db2.gz CIMUIWPPKHDUPT-GUBZILKMSA-N -2 0 367.387 0.866 20 0 FCADRL COc1cc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])ccc1Br ZINC001607085253 1288653932 /nfs/dbraw/zinc/65/39/32/1288653932.db2.gz WOVZOHFNSZJBDM-UHFFFAOYSA-N -2 0 352.162 0.602 20 0 FCADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@H](CCSC)C(=O)[O-] ZINC001607142935 1288672792 /nfs/dbraw/zinc/67/27/92/1288672792.db2.gz LKLICEUAYWEDCJ-SECBINFHSA-N -2 0 363.413 0.878 20 0 FCADRL COc1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)ccc1C(=O)[O-] ZINC001607190367 1288681950 /nfs/dbraw/zinc/68/19/50/1288681950.db2.gz ITJBUSMYZIKNLJ-QPUJVOFHSA-N -2 0 359.356 0.161 20 0 FCADRL COc1ccc([C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C(=O)[O-])cc1 ZINC001607227698 1288687069 /nfs/dbraw/zinc/68/70/69/1288687069.db2.gz YMJNGGKYIKXXSI-GFCCVEGCSA-N -2 0 350.331 0.420 20 0 FCADRL COc1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1C(=O)[O-] ZINC001607260327 1288690228 /nfs/dbraw/zinc/69/02/28/1288690228.db2.gz HEPPVYGIVPFTOJ-UHFFFAOYSA-N -2 0 368.367 0.909 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CC2(CCOCC2)[C@H]1C(=O)[O-] ZINC001607519168 1288723683 /nfs/dbraw/zinc/72/36/83/1288723683.db2.gz VFMDJJUWGCGDPU-CYBMUJFWSA-N -2 0 369.395 0.948 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])ccc1-n1cnnn1 ZINC001607579993 1288727030 /nfs/dbraw/zinc/72/70/30/1288727030.db2.gz MPCKAGNAXWUYJZ-ZJUUUORDSA-N -2 0 367.387 0.140 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])ccc1N1CCNC1=O ZINC001607580476 1288728395 /nfs/dbraw/zinc/72/83/95/1288728395.db2.gz ZILVJAGSBQLNQG-UHFFFAOYSA-N -2 0 355.372 0.059 20 0 FCADRL Cc1c([C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)C(=O)[O-])cnn1C ZINC001607598945 1288729058 /nfs/dbraw/zinc/72/90/58/1288729058.db2.gz KVBYMSWTRMFESL-CYBMUJFWSA-N -2 0 367.383 0.839 20 0 FCADRL Cc1cnccc1/C=C\C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001607913225 1288746373 /nfs/dbraw/zinc/74/63/73/1288746373.db2.gz WFEJDEOMCXYFRA-IHWYPQMZSA-N -2 0 353.400 0.561 20 0 FCADRL Cn1c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])nn3)cc2n(C)c1=O ZINC001608077968 1288765799 /nfs/dbraw/zinc/76/57/99/1288765799.db2.gz PYCWLLURBWYSIA-UHFFFAOYSA-N -2 0 363.355 0.166 20 0 FCADRL Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)CC(C)(C)C)cc1C(=O)[O-] ZINC001608121814 1288774506 /nfs/dbraw/zinc/77/45/06/1288774506.db2.gz FGJRUTBAVHGXEA-QWRGUYRKSA-N -2 0 362.404 0.252 20 0 FCADRL Cn1cnnc1-c1ccnc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC001608122363 1288775193 /nfs/dbraw/zinc/77/51/93/1288775193.db2.gz SJHOMQVQGSJJMS-UHFFFAOYSA-N -2 0 362.371 0.715 20 0 FCADRL Cn1nnc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])n1 ZINC001608167855 1288786093 /nfs/dbraw/zinc/78/60/93/1288786093.db2.gz QHLHRAUIFLOAKG-UHFFFAOYSA-N -2 0 351.266 0.728 20 0 FCADRL Cn1nnc2cc(S(=O)(=O)[N-]C(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)ccc21 ZINC001608168367 1288786121 /nfs/dbraw/zinc/78/61/21/1288786121.db2.gz PQEFKTXQRSQXET-ZJUUUORDSA-N -2 0 366.399 0.664 20 0 FCADRL NC(=O)CCOc1ccccc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001608234859 1288797443 /nfs/dbraw/zinc/79/74/43/1288797443.db2.gz NRCKRSWNANJVRZ-UHFFFAOYSA-N -2 0 365.367 0.835 20 0 FCADRL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001608245611 1288801980 /nfs/dbraw/zinc/80/19/80/1288801980.db2.gz OGGNALCBNARARM-QWRGUYRKSA-N -2 0 354.384 0.481 20 0 FCADRL O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001608305991 1288816924 /nfs/dbraw/zinc/81/69/24/1288816924.db2.gz GAFTWYOOPQZEKC-ZDUSSCGKSA-N -2 0 362.342 0.347 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCO2 ZINC001608485064 1288849249 /nfs/dbraw/zinc/84/92/49/1288849249.db2.gz RNBXTQPXRGEUOZ-UHFFFAOYSA-N -2 0 354.365 0.895 20 0 FCADRL O=C([O-])[C@]1(O)CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])C1 ZINC001608578796 1288856754 /nfs/dbraw/zinc/85/67/54/1288856754.db2.gz LNCJAVXDQGOEFC-NSHDSACASA-N -2 0 355.290 0.621 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cnn(-c2ccc(F)cc2)c1 ZINC001608718307 1288869506 /nfs/dbraw/zinc/86/95/06/1288869506.db2.gz JWEZDJPMMSGXSF-UHFFFAOYSA-N -2 0 355.347 0.936 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](C2CC2)C2(CO)CCOCC2)on1 ZINC001608860188 1288876198 /nfs/dbraw/zinc/87/61/98/1288876198.db2.gz ZGBOXKKEUUWHHG-LBPRGKRZSA-N -2 0 360.388 0.219 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CCSC[C@@H](C(=O)[O-])C2)cs1 ZINC001608858920 1288876746 /nfs/dbraw/zinc/87/67/46/1288876746.db2.gz PWHUEXYPZUTDFU-ZETCQYMHSA-N -2 0 351.427 0.885 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCN(CC(F)(F)F)CC2)on1 ZINC001608860756 1288877532 /nfs/dbraw/zinc/87/75/32/1288877532.db2.gz YOKOTFDQHCVXRS-UHFFFAOYSA-N -2 0 357.310 0.678 20 0 FCADRL O=C([O-])c1cn([C@H]2CCN(C(=O)NC[C@@H](C(=O)[O-])C3CCC3)C2)nn1 ZINC001608959822 1288880495 /nfs/dbraw/zinc/88/04/95/1288880495.db2.gz LZVQWZMCKXFVEP-WDEREUQCSA-N -2 0 351.363 0.434 20 0 FCADRL O=C([O-])C(F)=C(NC1CCCCCCC1)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001609043545 1288885798 /nfs/dbraw/zinc/88/57/98/1288885798.db2.gz CPVPRYRSSBHEOZ-SNVBAGLBSA-N -2 0 357.407 0.897 20 0 FCADRL C[C@@H](C(=O)[N-]S(=O)(=O)CC1CCCCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001609070001 1288900579 /nfs/dbraw/zinc/90/05/79/1288900579.db2.gz IKMUMNRXQRVEKD-VIFPVBQESA-N -2 0 368.423 0.046 20 0 FCADRL C[C@]1(C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCCCO1 ZINC001609143028 1288945112 /nfs/dbraw/zinc/94/51/12/1288945112.db2.gz VWEOSBSWABLQSF-OAHLLOKOSA-N -2 0 359.346 0.617 20 0 FCADRL CC[C@H]1CC[C@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)O1 ZINC001609198949 1288983704 /nfs/dbraw/zinc/98/37/04/1288983704.db2.gz LZFOQYOMMWZXKG-GXSJLCMTSA-N -2 0 359.346 0.616 20 0 FCADRL CC(=O)[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001609567806 1289231715 /nfs/dbraw/zinc/23/17/15/1289231715.db2.gz IZECKBHGZZBVQD-NSHDSACASA-N -2 0 362.448 0.930 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CCCNC(=O)c1cccnc1 ZINC001609638329 1289269781 /nfs/dbraw/zinc/26/97/81/1289269781.db2.gz DIQDZHAZXLSPPB-WDEREUQCSA-N -2 0 371.415 0.147 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)COc1cc(F)cc(F)c1 ZINC001609638457 1289270095 /nfs/dbraw/zinc/27/00/95/1289270095.db2.gz GIWPMQSGLSPOLM-YUMQZZPRSA-N -2 0 351.327 0.899 20 0 FCADRL CC(C)n1cnnc1SCC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-] ZINC001609638459 1289270228 /nfs/dbraw/zinc/27/02/28/1289270228.db2.gz GKHOIJZRYNGSST-DTWKUNHWSA-N -2 0 364.449 0.506 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1ccc(C(N)=O)cc1 ZINC001609638698 1289270598 /nfs/dbraw/zinc/27/05/98/1289270598.db2.gz JRSNWELBTBOQFU-VHSXEESVSA-N -2 0 356.400 0.273 20 0 FCADRL C[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-] ZINC001609639503 1289270658 /nfs/dbraw/zinc/27/06/58/1289270658.db2.gz YRMPYKBLUWWCCM-YIZRAAEISA-N -2 0 352.409 0.455 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C(=O)N(C)C)c1 ZINC001609638924 1289270669 /nfs/dbraw/zinc/27/06/69/1289270669.db2.gz OHIPATNKNISQCY-VHSXEESVSA-N -2 0 356.400 0.557 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H](c1ccccc1)N1CCSCC1 ZINC001609642358 1289271533 /nfs/dbraw/zinc/27/15/33/1289271533.db2.gz NXVATZWWRXCAPE-YPMHNXCESA-N -2 0 372.468 0.696 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cnn2c1nccc2-c1ccccc1 ZINC001609643263 1289271582 /nfs/dbraw/zinc/27/15/82/1289271582.db2.gz KVGDUSGBGSDCCG-SNVBAGLBSA-N -2 0 374.378 0.929 20 0 FCADRL CC(C)C(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001609682525 1289278977 /nfs/dbraw/zinc/27/89/77/1289278977.db2.gz RDTONJSGJCFWAO-VIFPVBQESA-N -2 0 374.440 0.898 20 0 FCADRL CC(C)Cn1ncc2cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cnc21 ZINC001609703614 1289282502 /nfs/dbraw/zinc/28/25/02/1289282502.db2.gz YNBYOLHUNCIWRR-SECBINFHSA-N -2 0 354.388 0.620 20 0 FCADRL C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)C1 ZINC001609814988 1289303460 /nfs/dbraw/zinc/30/34/60/1289303460.db2.gz QXJZFMPHKUKUEO-SJKOYZFVSA-N -2 0 354.403 0.803 20 0 FCADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)C1 ZINC001609839713 1289310186 /nfs/dbraw/zinc/31/01/86/1289310186.db2.gz MQZUYVYHWDNRQN-WOPDTQHZSA-N -2 0 352.387 0.269 20 0 FCADRL C[C@@H]1CCCC[C@H]1OCCNC(=O)CS(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001609851555 1289311821 /nfs/dbraw/zinc/31/18/21/1289311821.db2.gz BZGZSHCYTDBYRO-ZYHUDNBSSA-N -2 0 373.431 0.593 20 0 FCADRL C[C@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)c3scnc3C(=O)[O-])c2C1 ZINC001609862414 1289313715 /nfs/dbraw/zinc/31/37/15/1289313715.db2.gz GRKRBLCYGJMGAS-ZETCQYMHSA-N -2 0 370.412 0.739 20 0 FCADRL C[C@H]1CN(c2ccc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cn2)C[C@H](C)O1 ZINC001609873652 1289322215 /nfs/dbraw/zinc/32/22/15/1289322215.db2.gz OPAIMCGZVWTATA-QWRGUYRKSA-N -2 0 371.415 0.230 20 0 FCADRL CCC[C@H](O)[C@@H](NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)C(=O)[O-] ZINC001609958991 1289333720 /nfs/dbraw/zinc/33/37/20/1289333720.db2.gz XUSCZPUROIZYOQ-GXSJLCMTSA-N -2 0 367.326 0.556 20 0 FCADRL CCN(C)C(=O)c1cccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])c1 ZINC001609990384 1289337167 /nfs/dbraw/zinc/33/71/67/1289337167.db2.gz IZBBSJPZCGFUFX-WDEREUQCSA-N -2 0 370.427 0.947 20 0 FCADRL CCOC1CC(C(=O)[N-]S(=O)(=O)c2ccc(OC)cc2CC(=O)[O-])C1 ZINC001610026058 1289351165 /nfs/dbraw/zinc/35/11/65/1289351165.db2.gz VJPUYXOAJPORHB-UHFFFAOYSA-N -2 0 371.411 0.942 20 0 FCADRL CCO[C@H]1C[C@@](NS(=O)(=O)c2ccc(C(=O)[O-])o2)(C(=O)[O-])C1(C)C ZINC001610030361 1289352429 /nfs/dbraw/zinc/35/24/29/1289352429.db2.gz JMCJUAQLLIOCNY-LKFCYVNXSA-N -2 0 361.372 0.915 20 0 FCADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)c1cncc(C(=O)[O-])c1 ZINC001610072513 1289363003 /nfs/dbraw/zinc/36/30/03/1289363003.db2.gz GRNQISIEQWYFPV-UHFFFAOYSA-N -2 0 366.399 0.757 20 0 FCADRL CCn1ncnc1CS(=O)(=O)C=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C ZINC001610087012 1289364940 /nfs/dbraw/zinc/36/49/40/1289364940.db2.gz WFXLICDJLJVKDS-UHFFFAOYSA-N -2 0 354.388 0.739 20 0 FCADRL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1 ZINC001610096981 1289369481 /nfs/dbraw/zinc/36/94/81/1289369481.db2.gz YFIIMKQCEDPEBL-UHFFFAOYSA-N -2 0 352.372 0.470 20 0 FCADRL COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC001610150459 1289400556 /nfs/dbraw/zinc/40/05/56/1289400556.db2.gz FMYJMHMKFAFBKB-LLVKDONJSA-N -2 0 363.326 0.333 20 0 FCADRL COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC001610151073 1289400888 /nfs/dbraw/zinc/40/08/88/1289400888.db2.gz MXCCGIWJSIDWRS-LLVKDONJSA-N -2 0 371.367 0.168 20 0 FCADRL COC(=O)CC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])s1)C(=O)[O-] ZINC001610182883 1289414140 /nfs/dbraw/zinc/41/41/40/1289414140.db2.gz SVDAUXTUXYRALJ-LURJTMIESA-N -2 0 351.358 0.131 20 0 FCADRL COC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)n1 ZINC001610187260 1289416585 /nfs/dbraw/zinc/41/65/85/1289416585.db2.gz OLPRXQGPRKVCKM-UHFFFAOYSA-N -2 0 372.334 0.398 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)NC1(C(=O)[O-])CCC1 ZINC001610208831 1289426886 /nfs/dbraw/zinc/42/68/86/1289426886.db2.gz BBPKUASBTPRNPA-UHFFFAOYSA-N -2 0 357.340 0.457 20 0 FCADRL COC(=O)c1cnccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001610218542 1289429706 /nfs/dbraw/zinc/42/97/06/1289429706.db2.gz INHGWIDXVJFSRC-UHFFFAOYSA-N -2 0 354.315 0.928 20 0 FCADRL COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001610241235 1289435969 /nfs/dbraw/zinc/43/59/69/1289435969.db2.gz FZBIDWLPYZYCKQ-SECBINFHSA-N -2 0 369.754 0.897 20 0 FCADRL COCCCOc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])cn1 ZINC001610257145 1289439426 /nfs/dbraw/zinc/43/94/26/1289439426.db2.gz XTWSVVJKBMQDIE-MNOVXSKESA-N -2 0 374.415 0.666 20 0 FCADRL COCCOc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])ccn1 ZINC001610262675 1289443075 /nfs/dbraw/zinc/44/30/75/1289443075.db2.gz ZTQJTMKOBPOHJS-NXEZZACHSA-N -2 0 360.388 0.276 20 0 FCADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)c1 ZINC001610265435 1289444014 /nfs/dbraw/zinc/44/40/14/1289444014.db2.gz FUVMLACGRUPFFY-NHYWBVRUSA-N -2 0 355.368 0.626 20 0 FCADRL COc1ccc(COCC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])cc1 ZINC001610336038 1289462042 /nfs/dbraw/zinc/46/20/42/1289462042.db2.gz BYGSCBPELYLJEX-WDEREUQCSA-N -2 0 359.400 0.767 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC([C@H](C)C(=O)[O-])C2)c(OC)c1C(=O)[O-] ZINC001610345407 1289465826 /nfs/dbraw/zinc/46/58/26/1289465826.db2.gz ZWOIEQOPVLKCQR-QMMMGPOBSA-N -2 0 373.383 0.743 20 0 FCADRL COc1ccccc1-n1ncc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c1C ZINC001610364829 1289469995 /nfs/dbraw/zinc/46/99/95/1289469995.db2.gz SXEGDUOKBYRDEJ-UHFFFAOYSA-N -2 0 367.383 0.724 20 0 FCADRL C[C@H]1OCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)[C@@H]1C(=O)[O-] ZINC001610397251 1289479650 /nfs/dbraw/zinc/47/96/50/1289479650.db2.gz ZNOQXFWGVNREQR-HQJQHLMTSA-N -2 0 363.775 0.901 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])nnn1-c1ccccc1Cl ZINC001610407524 1289480558 /nfs/dbraw/zinc/48/05/58/1289480558.db2.gz HEHSZZOMGUWRDB-QMMMGPOBSA-N -2 0 372.790 0.762 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)nn2c1OCCC2 ZINC001610407402 1289480807 /nfs/dbraw/zinc/48/08/07/1289480807.db2.gz ADXCSRBWPOYTDK-UHFFFAOYSA-N -2 0 371.396 0.852 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCC(OCC(=O)[O-])CC1 ZINC001610409074 1289481956 /nfs/dbraw/zinc/48/19/56/1289481956.db2.gz XWXRGKMKQYPTEU-UHFFFAOYSA-N -2 0 357.384 0.948 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cnn1CC(=O)[O-] ZINC001610426853 1289486098 /nfs/dbraw/zinc/48/60/98/1289486098.db2.gz GIZVOWDHDQLULR-UHFFFAOYSA-N -2 0 363.359 0.053 20 0 FCADRL Cc1cc(=O)cc(C)n1CCCC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001610431477 1289487087 /nfs/dbraw/zinc/48/70/87/1289487087.db2.gz WEDGIHIJRQABBL-UHFFFAOYSA-N -2 0 372.443 0.802 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)c1C ZINC001610439906 1289487994 /nfs/dbraw/zinc/48/79/94/1289487994.db2.gz IYIUWPCAICIPAJ-ZWNOBZJWSA-N -2 0 357.384 0.770 20 0 FCADRL Cc1cc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)ccc1C(=O)[O-] ZINC001610458995 1289489686 /nfs/dbraw/zinc/48/96/86/1289489686.db2.gz BOKDOLYPHCWGEZ-UHFFFAOYSA-N -2 0 353.356 0.453 20 0 FCADRL Cc1cnc(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)[O-])c2)c([O-])c1 ZINC001610538462 1289503381 /nfs/dbraw/zinc/50/33/81/1289503381.db2.gz ALHNUSPCVHWYES-UHFFFAOYSA-N -2 0 365.367 0.711 20 0 FCADRL Cc1cnn(-c2ccc(C(=O)[O-])cc2NC(=O)C(=O)N[C@H](C)CC(=O)[O-])c1 ZINC001610541931 1289504736 /nfs/dbraw/zinc/50/47/36/1289504736.db2.gz QTDVHGNNVPMRML-SNVBAGLBSA-N -2 0 374.353 0.797 20 0 FCADRL Cc1ncccc1/C=C\C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001610566345 1289512104 /nfs/dbraw/zinc/51/21/04/1289512104.db2.gz CCFMXZPPXKLYID-PLNGDYQASA-N -2 0 353.400 0.561 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)c1cnc2n1CCCC2 ZINC001610581252 1289517039 /nfs/dbraw/zinc/51/70/39/1289517039.db2.gz ITLJDLDBPADDKY-UHFFFAOYSA-N -2 0 353.356 0.938 20 0 FCADRL Cn1cc2c(n1)CCC[C@H]2C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001610607266 1289525651 /nfs/dbraw/zinc/52/56/51/1289525651.db2.gz RBFBLNIKJCYBFD-SSDOTTSWSA-N -2 0 370.412 0.500 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccn2)cc1C(=O)[O-] ZINC001610606880 1289526170 /nfs/dbraw/zinc/52/61/70/1289526170.db2.gz JEGHLPQBSHHOLX-UHFFFAOYSA-N -2 0 359.385 0.323 20 0 FCADRL Cn1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)n1 ZINC001610610588 1289526858 /nfs/dbraw/zinc/52/68/58/1289526858.db2.gz ZQFOJBYMNAXSDE-UHFFFAOYSA-N -2 0 359.310 0.444 20 0 FCADRL Cn1nnc2ccc(C(=O)[N-]S(=O)(=O)Cc3cccc(C(=O)[O-])c3)cc21 ZINC001610617540 1289530953 /nfs/dbraw/zinc/53/09/53/1289530953.db2.gz AFIWQYCPYAVTOS-UHFFFAOYSA-N -2 0 374.378 0.926 20 0 FCADRL Nc1cn[n-]c(=NNS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1Cl ZINC001610648356 1289542191 /nfs/dbraw/zinc/54/21/91/1289542191.db2.gz SXYQBWQSXARYJI-UHFFFAOYSA-N -2 0 361.742 0.855 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)CCCN2C(=O)CCC2=O)c1 ZINC001610655403 1289543943 /nfs/dbraw/zinc/54/39/43/1289543943.db2.gz AYZDJIMSSBQTBW-UHFFFAOYSA-N -2 0 368.367 0.119 20 0 FCADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnn(CC(=O)NC2CC2)c1 ZINC001610677785 1289549368 /nfs/dbraw/zinc/54/93/68/1289549368.db2.gz NBXXZPCATQJEKH-UHFFFAOYSA-N -2 0 364.383 0.661 20 0 FCADRL O=C([O-])[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cnn(CC3CC3)c2)C1 ZINC001610741159 1289573780 /nfs/dbraw/zinc/57/37/80/1289573780.db2.gz OAXRXWUQDPNHGZ-NEPJUHHUSA-N -2 0 355.416 0.989 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccccc2C(=O)[O-])C1 ZINC001610753514 1289578457 /nfs/dbraw/zinc/57/84/57/1289578457.db2.gz SFWXACDPINLXKU-OAHLLOKOSA-N -3 0 371.367 0.466 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)Cc1ccccc1O[C@H]1CCOC1 ZINC001610771575 1289586006 /nfs/dbraw/zinc/58/60/06/1289586006.db2.gz HMDHCUHFSFEXKA-ZDUSSCGKSA-N -2 0 371.411 0.708 20 0 FCADRL O=C([O-])CCCOc1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC001610770325 1289586201 /nfs/dbraw/zinc/58/62/01/1289586201.db2.gz JZSCUFOTWIIYDS-NSHDSACASA-N -2 0 364.354 0.802 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC001610775294 1289587706 /nfs/dbraw/zinc/58/77/06/1289587706.db2.gz OAFKTJHWQQCGFV-UHFFFAOYSA-N -2 0 355.347 0.475 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001610775319 1289587977 /nfs/dbraw/zinc/58/79/77/1289587977.db2.gz PTBOGTCZTKFRHW-LLVKDONJSA-N -2 0 374.802 0.614 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC001610775271 1289588036 /nfs/dbraw/zinc/58/80/36/1289588036.db2.gz MNCKGAFEDUFRJX-CYBMUJFWSA-N -2 0 357.384 0.779 20 0 FCADRL O=C([O-])C[N@@H+]1CCCN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])CC1 ZINC001610781965 1289589320 /nfs/dbraw/zinc/58/93/20/1289589320.db2.gz QHWHSTQLGHMJBJ-UHFFFAOYSA-N -2 0 360.363 0.305 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001610789416 1289594503 /nfs/dbraw/zinc/59/45/03/1289594503.db2.gz OJROCBLDDUNZOY-LBPRGKRZSA-N -2 0 354.384 0.069 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)cc1 ZINC001610829790 1289601860 /nfs/dbraw/zinc/60/18/60/1289601860.db2.gz LZQBYVNMUXYAKU-CHWSQXEVSA-N -2 0 357.384 0.372 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)N[C@H](Cn2cc(Cl)cn2)C(=O)[O-])c1 ZINC001610849702 1289606799 /nfs/dbraw/zinc/60/67/99/1289606799.db2.gz DSVCEGRCLWIFJU-LLVKDONJSA-N -2 0 373.774 0.666 20 0 FCADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)N1CSC[C@@H]1C(=O)[O-] ZINC001610870710 1289614899 /nfs/dbraw/zinc/61/48/99/1289614899.db2.gz WZHZHDSCTRCVKM-RXMQYKEDSA-N -2 0 352.777 0.581 20 0 FCADRL CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001276295452 861395763 /nfs/dbraw/zinc/39/57/63/861395763.db2.gz BAFLEXVCULZSDU-VXGBXAGGSA-N -2 0 354.299 0.993 20 0 FCADRL COCCn1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])ccc1=O ZINC001116288573 846647923 /nfs/dbraw/zinc/64/79/23/846647923.db2.gz JKWGTYQCQPWMCQ-UHFFFAOYSA-N -2 0 368.367 0.699 20 0 FCADRL CNS(=O)(=O)c1ccc(O)c(NC(=O)c2c(CO)cnc(C)c2O)c1 ZINC001147840300 849593878 /nfs/dbraw/zinc/59/38/78/849593878.db2.gz IEGQSAIUISJEIA-UHFFFAOYSA-N -2 0 367.383 0.454 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cc2cc(Br)ccn2n1 ZINC001153093998 849735303 /nfs/dbraw/zinc/73/53/03/849735303.db2.gz YEGNSHRPYYLINH-UHFFFAOYSA-N -2 0 364.092 0.936 20 0 FCADRL NS(=O)(=O)c1ccc(NCCOP(=O)([O-])[O-])cc1C(F)(F)F ZINC001168590996 850590605 /nfs/dbraw/zinc/59/06/05/850590605.db2.gz GDBTZAIYTOIEEY-UHFFFAOYSA-N -2 0 364.238 0.874 20 0 FCADRL CCOC(=O)[C@H]1NC(=O)c2cc(NCCOP(=O)([O-])[O-])ccc2O1 ZINC001168591544 850590667 /nfs/dbraw/zinc/59/06/67/850590667.db2.gz AVHKAHGZMCRRQJ-LBPRGKRZSA-N -2 0 360.259 0.219 20 0 FCADRL NC(=O)c1nc(Cl)c(N)nc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237443 850784218 /nfs/dbraw/zinc/78/42/18/850784218.db2.gz HOEQWMUIOYUURM-UHFFFAOYSA-N -2 0 351.706 0.951 20 0 FCADRL COC(=O)NC(=S)N(C(=O)Cn1nn[n-]c1=S)c1ccccc1N ZINC001177744286 850865776 /nfs/dbraw/zinc/86/57/76/850865776.db2.gz VAWGZCNSLAXJEP-UHFFFAOYSA-N -2 0 367.416 0.218 20 0 FCADRL CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCOP(=O)([O-])[O-])C[C@H](F)C1 ZINC001178892672 850937557 /nfs/dbraw/zinc/93/75/57/850937557.db2.gz LSKZMBWCVPNZTP-ZJUUUORDSA-N -2 0 370.314 0.807 20 0 FCADRL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-]CC(=O)NCc1ccc(F)cc1 ZINC001180176696 851017650 /nfs/dbraw/zinc/01/76/50/851017650.db2.gz LIASWZVUJRVNCX-UHFFFAOYSA-N -2 0 354.231 0.913 20 0 FCADRL O=C([O-])COc1ccc(OCC(=O)NCCCC[P@](=O)([O-])O)cc1 ZINC001183909608 851276856 /nfs/dbraw/zinc/27/68/56/851276856.db2.gz IXRCGDVTMKVFKU-UHFFFAOYSA-N -2 0 361.287 0.603 20 0 FCADRL COC(=O)[C@@H](NC(=O)c1ccccc1OP(=O)([O-])[O-])C(F)(F)F ZINC001189899449 851838667 /nfs/dbraw/zinc/83/86/67/851838667.db2.gz QCPFBYUAIZWKHC-MRVPVSSYSA-N -2 0 357.177 0.992 20 0 FCADRL O=C(NCCCC[P@](=O)([O-])O)c1ccccc1OP(=O)([O-])[O-] ZINC001189900107 851838789 /nfs/dbraw/zinc/83/87/89/851838789.db2.gz QNOKNVNIZSYHOL-UHFFFAOYSA-N -3 0 353.204 0.846 20 0 FCADRL O=C([O-])c1cc(C(=O)NC[C@H](O)c2ccco2)cc(S(=O)(=O)[O-])c1 ZINC001189914731 851842332 /nfs/dbraw/zinc/84/23/32/851842332.db2.gz QLJZDZYFEQOZQX-NSHDSACASA-N -2 0 355.324 0.688 20 0 FCADRL Cc1nc(CCN(C)C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)no1 ZINC001189923414 851843061 /nfs/dbraw/zinc/84/30/61/851843061.db2.gz KLBQAVLJKLKVBY-UHFFFAOYSA-N -2 0 369.355 0.638 20 0 FCADRL COCCN1CCN(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)CC1 ZINC001189923434 851843336 /nfs/dbraw/zinc/84/33/36/851843336.db2.gz KZLCCOUNPBOQJR-UHFFFAOYSA-N -2 0 372.399 0.036 20 0 FCADRL O=C([O-])c1cc(C(=O)N2CCN(CCF)CC2)cc(S(=O)(=O)[O-])c1 ZINC001189924359 851844052 /nfs/dbraw/zinc/84/40/52/851844052.db2.gz LQTBKCBZDCQWSY-UHFFFAOYSA-N -2 0 360.363 0.359 20 0 FCADRL C[C@@H]1CO[C@@H]2CN(C(=O)c3cc(C(=O)[O-])cc(S(=O)(=O)[O-])c3)C[C@H]12 ZINC001189923836 851844167 /nfs/dbraw/zinc/84/41/67/851844167.db2.gz DEZOUIRJLUBMKQ-BZHVJNSISA-N -2 0 355.368 0.738 20 0 FCADRL NC(=O)[C@@H]1CCSC12CN(C(=O)c1ccccc1OP(=O)([O-])[O-])C2 ZINC001278366062 862306560 /nfs/dbraw/zinc/30/65/60/862306560.db2.gz HCGLFXKPVZVNNZ-JTQLQIEISA-N -2 0 372.339 0.591 20 0 FCADRL NC(=O)[C@H]1CCC2(CN(C(=O)c3ccccc3OP(=O)([O-])[O-])C2)O1 ZINC001278367281 862307631 /nfs/dbraw/zinc/30/76/31/862307631.db2.gz YPLSTWJBPVKHGA-LLVKDONJSA-N -2 0 356.271 0.017 20 0 FCADRL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)n(C)n1 ZINC001192686318 852276823 /nfs/dbraw/zinc/27/68/23/852276823.db2.gz OPZRWKVCSLJZKP-UHFFFAOYSA-N -2 0 369.355 0.471 20 0 FCADRL NC(=O)c1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cn1 ZINC001193971889 852519059 /nfs/dbraw/zinc/51/90/59/852519059.db2.gz OFASIAISVNEFIH-UHFFFAOYSA-N -2 0 374.737 0.867 20 0 FCADRL NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC001195195202 852722208 /nfs/dbraw/zinc/72/22/08/852722208.db2.gz SFDNXTCDBWCPJJ-UHFFFAOYSA-N -2 0 357.294 0.958 20 0 FCADRL NC(=O)c1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195194216 852722516 /nfs/dbraw/zinc/72/25/16/852722516.db2.gz CELKTEOULXFQBX-UHFFFAOYSA-N -2 0 357.294 0.958 20 0 FCADRL NC(=O)c1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC001195195034 852722669 /nfs/dbraw/zinc/72/26/69/852722669.db2.gz OISLWTGAIJXZAL-UHFFFAOYSA-N -2 0 358.282 0.353 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@H]2[C@H](O)CCC[C@@H]2O)c(F)cc1F ZINC001195267754 852734866 /nfs/dbraw/zinc/73/48/66/852734866.db2.gz GABCEIRAJBDGDY-IAZYJMLFSA-N -2 0 351.327 0.216 20 0 FCADRL O=C(NCS(=O)(=O)[O-])c1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F ZINC001195360891 852750055 /nfs/dbraw/zinc/75/00/55/852750055.db2.gz NTTOARMMALEULV-UHFFFAOYSA-N -2 0 367.254 0.065 20 0 FCADRL C[C@H]1[C@H](NC(=S)Nc2ccc(C(=O)[O-])cc2)C(=O)N1S(=O)(=O)[O-] ZINC001197127628 853063104 /nfs/dbraw/zinc/06/31/04/853063104.db2.gz WKHNXTZQHFZHKJ-RCOVLWMOSA-N -2 0 359.385 0.073 20 0 FCADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnc(N2CCOCC2)nc1 ZINC001198741134 853310725 /nfs/dbraw/zinc/31/07/25/853310725.db2.gz OKABQTYGAJEWGS-UHFFFAOYSA-N -2 0 364.383 0.812 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cncc(OCC2CCOCC2)n1 ZINC001199165603 853383332 /nfs/dbraw/zinc/38/33/32/853383332.db2.gz YWROHPGGKVVBEX-UHFFFAOYSA-N -2 0 361.291 0.121 20 0 FCADRL COC(=O)c1ccc(N)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])nc1 ZINC001210177798 854086258 /nfs/dbraw/zinc/08/62/58/854086258.db2.gz ZDWZUHOWKOKBGU-UHFFFAOYSA-N -2 0 351.340 0.949 20 0 FCADRL COc1ccc(CCOC(=O)[C@H](O)COP(=O)([O-])[O-])cc1OC ZINC001222286653 856822626 /nfs/dbraw/zinc/82/26/26/856822626.db2.gz KZFDKYDZYZBJAR-SNVBAGLBSA-N -2 0 350.260 0.260 20 0 FCADRL CCOC(=O)c1ccccc1COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001223084171 856895272 /nfs/dbraw/zinc/89/52/72/856895272.db2.gz MQQVFETZDPKKDZ-YPMHNXCESA-N -2 0 354.311 0.443 20 0 FCADRL CCOC(=O)[C@H](OC(=O)[C@H](O)COP(=O)([O-])[O-])c1ccc(F)cc1 ZINC001223095977 856896486 /nfs/dbraw/zinc/89/64/86/856896486.db2.gz IJLJUPXPQLTZSJ-GHMZBOCLSA-N -2 0 366.234 0.443 20 0 FCADRL CCOC(=O)[C@H](OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1ccccc1 ZINC001223617792 856933211 /nfs/dbraw/zinc/93/32/11/856933211.db2.gz GXSRIECWVIZYNR-RAIGVLPGSA-N -2 0 354.311 0.370 20 0 FCADRL COC(=O)c1ccc([C@H](C)OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001223753153 856941453 /nfs/dbraw/zinc/94/14/53/856941453.db2.gz FPEHSKMXFMMLIG-KDDOJWQBSA-N -2 0 354.311 0.614 20 0 FCADRL O=C(OCc1ccc(C(=O)N2CCCC2)cc1)[C@H](O)COP(=O)([O-])[O-] ZINC001223831764 856944832 /nfs/dbraw/zinc/94/48/32/856944832.db2.gz SSDMVIPELUYHDR-CYBMUJFWSA-N -2 0 373.298 0.436 20 0 FCADRL COC(=O)[C@H](OC(=O)[C@H](O)COP(=O)([O-])[O-])c1cccc(Cl)c1 ZINC001223928972 856953074 /nfs/dbraw/zinc/95/30/74/856953074.db2.gz GYNZSHMEYPTUIE-NXEZZACHSA-N -2 0 368.662 0.568 20 0 FCADRL COC(=O)c1ccc(C)cc1COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001224205660 856969303 /nfs/dbraw/zinc/96/93/03/856969303.db2.gz ZRAKUSIYEZEYTB-YPMHNXCESA-N -2 0 354.311 0.361 20 0 FCADRL COC(=O)c1ccc(CCOC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001224433898 856983927 /nfs/dbraw/zinc/98/39/27/856983927.db2.gz BQCNCHXUETZDSH-YPMHNXCESA-N -2 0 354.311 0.095 20 0 FCADRL CCOc1ccccc1OCCOC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001224494477 856985158 /nfs/dbraw/zinc/98/51/58/856985158.db2.gz PTKWCHIUTXDVAJ-HZMBPMFUSA-N -2 0 356.327 0.544 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@@H]1COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225052770 857015765 /nfs/dbraw/zinc/01/57/65/857015765.db2.gz IXBOQWDNKYSDAW-YWVKMMECSA-N -2 0 361.347 0.075 20 0 FCADRL Nc1nc(-c2ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc2)cs1 ZINC001226027027 857079868 /nfs/dbraw/zinc/07/98/68/857079868.db2.gz STTLENKLHPMLNW-BXKDBHETSA-N -2 0 366.351 0.834 20 0 FCADRL Nc1nc(-c2cccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2)cs1 ZINC001226109408 857085780 /nfs/dbraw/zinc/08/57/80/857085780.db2.gz FUJASHIKLZAGKK-SKDRFNHKSA-N -2 0 366.351 0.834 20 0 FCADRL CCCc1ccc(NC(C)=O)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001226500550 857107144 /nfs/dbraw/zinc/10/71/44/857107144.db2.gz MTUSGXSGQXSQKH-GFCCVEGCSA-N -2 0 361.287 0.973 20 0 FCADRL COc1ccc2nc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])sc2c1 ZINC001226652869 857118992 /nfs/dbraw/zinc/11/89/92/857118992.db2.gz OSGCVRIXBIHRHZ-RDDDGLTNSA-N -2 0 355.324 0.747 20 0 FCADRL O=C(Oc1ncnc2cc(F)cc(F)c21)[C@H](O)COP(=O)([O-])[O-] ZINC001226826840 857127890 /nfs/dbraw/zinc/12/78/90/857127890.db2.gz SGALQNXZPGLQCK-MRVPVSSYSA-N -2 0 350.170 0.284 20 0 FCADRL CC(=O)Nc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(Cl)c1 ZINC001226880095 857130260 /nfs/dbraw/zinc/13/02/60/857130260.db2.gz LZSTWLIJCPXSEV-UFBFGSQYSA-N -2 0 359.718 0.740 20 0 FCADRL COc1cccc2sc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc21 ZINC001226988682 857135597 /nfs/dbraw/zinc/13/55/97/857135597.db2.gz HZLPAZMMSLWVHZ-KSBSHMNSSA-N -2 0 355.324 0.747 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1nccc(C(F)(F)F)c1F)[C@H](O)C(=O)[O-] ZINC001227024071 857137538 /nfs/dbraw/zinc/13/75/38/857137538.db2.gz WFILZRNVCKEMOI-NVNXEXLPSA-N -2 0 355.196 0.681 20 0 FCADRL CCOC(=O)c1ccc(F)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227147647 857145454 /nfs/dbraw/zinc/14/54/54/857145454.db2.gz ONNGEYWQSDMXGI-CABZTGNLSA-N -2 0 358.274 0.444 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(Br)nc1F)[C@@H](O)C(=O)[O-] ZINC001227608195 857167165 /nfs/dbraw/zinc/16/71/65/857167165.db2.gz VGDNGLCOHSKLPX-RNHFCUEFSA-N -2 0 366.095 0.425 20 0 FCADRL COC(=O)Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(C)c1 ZINC001227729872 857173179 /nfs/dbraw/zinc/17/31/79/857173179.db2.gz UUMFCZFSWYCSRF-IINYFYTJSA-N -2 0 354.311 0.152 20 0 FCADRL Cn1ccc2nc(Cl)nc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c21 ZINC001227790097 857178340 /nfs/dbraw/zinc/17/83/40/857178340.db2.gz JFWJZLVYCYEJTE-CDUCUWFYSA-N -2 0 357.706 0.064 20 0 FCADRL COC(=O)CCc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001227904158 857183538 /nfs/dbraw/zinc/18/35/38/857183538.db2.gz PUHINVFOJMHMRA-RISCZKNCSA-N -2 0 354.311 0.234 20 0 FCADRL COC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1Cl ZINC001227937214 857185173 /nfs/dbraw/zinc/18/51/73/857185173.db2.gz FXODSIWTCYXISC-KCJUWKMLSA-N -2 0 360.702 0.568 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(O)cc1Br)[C@@H](O)C(=O)[O-] ZINC001228207382 857197387 /nfs/dbraw/zinc/19/73/87/857197387.db2.gz XTBGORVCGTZJGO-LHLIQPBNSA-N -2 0 363.116 0.597 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc2cc(Cl)cnc2n1)[C@H](O)C(=O)[O-] ZINC001228384083 857207850 /nfs/dbraw/zinc/20/78/50/857207850.db2.gz DPKQBKYHPJPLJT-KCJUWKMLSA-N -2 0 354.702 0.725 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(Br)cnc1F)[C@H](O)C(=O)[O-] ZINC001228550941 857215501 /nfs/dbraw/zinc/21/55/01/857215501.db2.gz JDYJWTYLXWGEAZ-XRGYYRRGSA-N -2 0 366.095 0.425 20 0 FCADRL CC(=O)c1ccc2nc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])oc2c1 ZINC001228667982 857221082 /nfs/dbraw/zinc/22/10/82/857221082.db2.gz AQXKTKTXDDYGAW-PRHODGIISA-N -2 0 351.267 0.472 20 0 FCADRL COC(=O)c1scc(Cl)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228778736 857227797 /nfs/dbraw/zinc/22/77/97/857227797.db2.gz WLRWYZMEVHJGTH-FBCQKBJTSA-N -2 0 366.731 0.630 20 0 FCADRL COc1cccc2c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ncnc12 ZINC001228873935 857233274 /nfs/dbraw/zinc/23/32/74/857233274.db2.gz JPPSSRGPGUAABK-PELKAZGASA-N -2 0 350.283 0.080 20 0 FCADRL Cc1ccnc(Br)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001229207712 857258678 /nfs/dbraw/zinc/25/86/78/857258678.db2.gz PJTOZAMIKQQPKI-XPUUQOCRSA-N -2 0 362.132 0.594 20 0 FCADRL Cc1csc2nc(=S)[nH]c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c12 ZINC001229352514 857265675 /nfs/dbraw/zinc/26/56/75/857265675.db2.gz IAEVPSAMQGBEGP-YLWLKBPMSA-N -2 0 372.380 0.730 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc(Cl)c2cccnc2n1)[C@@H](O)C(=O)[O-] ZINC001229511923 857272479 /nfs/dbraw/zinc/27/24/79/857272479.db2.gz QPXUOVPZGGENDW-WRWORJQWSA-N -2 0 354.702 0.725 20 0 FCADRL CCOC(=O)CCc1cccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1 ZINC001229520126 857273327 /nfs/dbraw/zinc/27/33/27/857273327.db2.gz NRCDTNQQVGTHMR-GFCCVEGCSA-N -2 0 362.271 0.558 20 0 FCADRL CCOC(=O)Cc1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001229719018 857284598 /nfs/dbraw/zinc/28/45/98/857284598.db2.gz COJXCNZNFYBAFP-SMDDNHRTSA-N -2 0 354.311 0.234 20 0 FCADRL COC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(Cl)c1 ZINC001229751327 857285211 /nfs/dbraw/zinc/28/52/11/857285211.db2.gz OPPFORJIDMYRKY-CPCISQLKSA-N -2 0 360.702 0.568 20 0 FCADRL COC(=O)c1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(C)cc1F ZINC001230040188 857298532 /nfs/dbraw/zinc/29/85/32/857298532.db2.gz KKQBZLLLBPDMBR-UFBFGSQYSA-N -2 0 358.274 0.363 20 0 FCADRL CC[C@@H](COC)Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-] ZINC001230146999 857307700 /nfs/dbraw/zinc/30/77/00/857307700.db2.gz NQTSHIUDJMWWER-ZETCQYMHSA-N -2 0 356.374 0.689 20 0 FCADRL COC(=O)c1cc(C)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1C ZINC001230527988 857343624 /nfs/dbraw/zinc/34/36/24/857343624.db2.gz LJZWYJGTLQBTNE-MFKMUULPSA-N -2 0 354.311 0.532 20 0 FCADRL O=C(Oc1[n-]c(=O)nc2cccc(Cl)c21)[C@H](O)COP(=O)([O-])[O-] ZINC001230885080 857350929 /nfs/dbraw/zinc/35/09/29/857350929.db2.gz IQOYKVQSEQDAAX-SSDOTTSWSA-N -3 0 364.634 0.364 20 0 FCADRL CC(=O)Nc1cccc(C(C)=O)c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001230928711 857351730 /nfs/dbraw/zinc/35/17/30/857351730.db2.gz SZUNJKPBESVUSH-LLVKDONJSA-N -2 0 361.243 0.223 20 0 FCADRL COC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(C)c1C ZINC001230981784 857353806 /nfs/dbraw/zinc/35/38/06/857353806.db2.gz VINPPIAXGXFSJP-ZWNOBZJWSA-N -2 0 354.311 0.532 20 0 FCADRL Cn1c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc2ccc(Cl)nc21 ZINC001231042035 857354542 /nfs/dbraw/zinc/35/45/42/857354542.db2.gz PCOSASUWRKLCLN-ANLVUFKYSA-N -2 0 357.706 0.064 20 0 FCADRL Cc1cc(=O)c2ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc2o1 ZINC001231172164 857357074 /nfs/dbraw/zinc/35/70/74/857357074.db2.gz RJMXXLWVNPXVME-IINYFYTJSA-N -2 0 350.279 0.543 20 0 FCADRL CCOC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(Cl)c1 ZINC001233581785 857387106 /nfs/dbraw/zinc/38/71/06/857387106.db2.gz CKSHTUIMYPNDDH-QPUJVOFHSA-N -2 0 374.729 0.959 20 0 FCADRL COC(=O)Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(Cl)c1 ZINC001233960491 857392651 /nfs/dbraw/zinc/39/26/51/857392651.db2.gz FQIKEMMZCBZTDM-ISVAXAHUSA-N -2 0 374.729 0.497 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ncnc2ccc(F)c(F)c21)[C@@H](O)C(=O)[O-] ZINC001234027305 857394890 /nfs/dbraw/zinc/39/48/90/857394890.db2.gz SKDKJXMNTZAGKO-ULHQUTTKSA-N -2 0 356.237 0.350 20 0 FCADRL COc1cc(Br)cnc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001234102211 857396018 /nfs/dbraw/zinc/39/60/18/857396018.db2.gz KRLXAJXMEUOHGR-ZCFIWIBFSA-N -2 0 372.064 0.228 20 0 FCADRL CC(C)Oc1ncc(Cl)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234311438 857401161 /nfs/dbraw/zinc/40/11/61/857401161.db2.gz JMZVCXRGMDKPDU-GZMMTYOYSA-N -2 0 361.734 0.964 20 0 FCADRL CC(C)Oc1ncc(Cl)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001234311377 857401231 /nfs/dbraw/zinc/40/12/31/857401231.db2.gz IUUNIBOBFXJZLT-MRVPVSSYSA-N -2 0 355.667 0.898 20 0 FCADRL O=C(Oc1cc2c(c(Cl)c1)C(=O)CC2)[C@H](O)COP(=O)([O-])[O-] ZINC001234846811 857413749 /nfs/dbraw/zinc/41/37/49/857413749.db2.gz TZRHSWUNBPTBJP-SNVBAGLBSA-N -2 0 350.647 0.845 20 0 FCADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(NC[C@@H](O)C(F)(F)F)c1 ZINC001250980967 857674125 /nfs/dbraw/zinc/67/41/25/857674125.db2.gz KGSABBYCVZCZBQ-MRVPVSSYSA-N -2 0 365.307 0.515 20 0 FCADRL COC(=O)C([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)=C(C)[O-] ZINC001251242744 857710679 /nfs/dbraw/zinc/71/06/79/857710679.db2.gz MQYDFEJWSQMHRR-SECBINFHSA-N -2 0 361.244 0.791 20 0 FCADRL O=P([O-])([O-])OCC[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC001251239806 857710703 /nfs/dbraw/zinc/71/07/03/857710703.db2.gz ZHMCADOUEVIVRZ-UHFFFAOYSA-N -3 0 371.176 0.770 20 0 FCADRL O=P([O-])([O-])OCCNS(=O)(=O)c1cccc(Br)c1 ZINC001257884101 858162109 /nfs/dbraw/zinc/16/21/09/858162109.db2.gz LXDCJRUIYQMFPQ-UHFFFAOYSA-N -2 0 360.122 0.837 20 0 FCADRL CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NCCOP(=O)([O-])[O-])C(=O)C2 ZINC001258975317 858214653 /nfs/dbraw/zinc/21/46/53/858214653.db2.gz RWITYZALSTXLJD-CABZTGNLSA-N -2 0 355.349 0.411 20 0 FCADRL NC(=O)S(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)C2CCOCC2)c1 ZINC001259916652 858305761 /nfs/dbraw/zinc/30/57/61/858305761.db2.gz KOFYBFWQUDIIEX-UHFFFAOYSA-N -2 0 364.401 0.579 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(C(N)=O)nn1C ZINC001260210208 858355198 /nfs/dbraw/zinc/35/51/98/858355198.db2.gz SKGLBJNNDVUQHA-UHFFFAOYSA-N -2 0 356.335 0.466 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nccnc2N2CCOCC2)cc1 ZINC001260221867 858356360 /nfs/dbraw/zinc/35/63/60/858356360.db2.gz XTXIJUAXMOIILW-UHFFFAOYSA-N -2 0 364.383 0.812 20 0 FCADRL O=c1nc2ccc(S(=O)(=O)[N-]c3nccn4cnnc34)cc2c([O-])[n-]1 ZINC001260611536 858403429 /nfs/dbraw/zinc/40/34/29/858403429.db2.gz WROLLXRMBHXCCG-UHFFFAOYSA-N -3 0 359.327 0.280 20 0 FCADRL CC(=O)Nc1ncc(S(=O)(=O)[N-]c2cc(O)cc(C(N)=O)c2)s1 ZINC001260707627 858417108 /nfs/dbraw/zinc/41/71/08/858417108.db2.gz HSHUSFYIHIBGGE-UHFFFAOYSA-N -2 0 356.385 0.707 20 0 FCADRL C[C@H](CNC(=O)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)C(=O)[O-] ZINC001332945124 873727026 /nfs/dbraw/zinc/72/70/26/873727026.db2.gz JTJJOKYKTPNIKY-SSDOTTSWSA-N -2 0 352.372 0.192 20 0 FCADRL O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1 ZINC001601977356 971102575 /nfs/dbraw/zinc/10/25/75/971102575.db2.gz VVESBFUTIBSSDO-NSHDSACASA-N -2 0 360.370 0.983 20 0 FCADRL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]c1cccc(C(=O)NC2CC2)c1 ZINC000324612755 971139688 /nfs/dbraw/zinc/13/96/88/971139688.db2.gz LEXMGVTXCYNNBW-UHFFFAOYSA-N -2 0 350.356 0.801 20 0 FCADRL CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(OCC(=O)[O-])c2)cn1C ZINC000326863813 971337855 /nfs/dbraw/zinc/33/78/55/971337855.db2.gz VTOMKBOPYCMISR-UHFFFAOYSA-N -2 0 367.383 0.649 20 0 FCADRL O=C([O-])c1cnc(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)cn1 ZINC001595266061 949748961 /nfs/dbraw/zinc/74/89/61/949748961.db2.gz CMOBGTWHWXIPJC-UHFFFAOYSA-N -2 0 356.747 0.483 20 0 FCADRL O=Cc1cc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])co1 ZINC001595295500 950124951 /nfs/dbraw/zinc/12/49/51/950124951.db2.gz OZDPGYFNDXJNQU-UWVGGRQHSA-N -2 0 362.260 0.828 20 0 FCADRL CC[C@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C(=O)[O-] ZINC001593613600 953477113 /nfs/dbraw/zinc/47/71/13/953477113.db2.gz QVFIPTRTWSQXEL-ZANVPECISA-N -2 0 358.416 0.872 20 0 FCADRL O=C([O-])c1ccccc1CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001594771818 953566359 /nfs/dbraw/zinc/56/63/59/953566359.db2.gz BCRDUQBEBUUMRY-UHFFFAOYSA-N -2 0 354.322 0.894 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC001593706727 954150516 /nfs/dbraw/zinc/15/05/16/954150516.db2.gz HJOCMFVETRMVBP-JTQLQIEISA-N -2 0 356.400 0.579 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC001594659910 956524653 /nfs/dbraw/zinc/52/46/53/956524653.db2.gz ONTMFVOVBPZACZ-UHFFFAOYSA-N -2 0 356.400 0.757 20 0 FCADRL Nc1cccnc1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001594665808 956573750 /nfs/dbraw/zinc/57/37/50/956573750.db2.gz OHRPKSGUSYANJJ-WCBMZHEXSA-N -2 0 360.292 0.400 20 0 FCADRL Nc1cccnc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001594665807 956574151 /nfs/dbraw/zinc/57/41/51/956574151.db2.gz OHRPKSGUSYANJJ-SCZZXKLOSA-N -2 0 360.292 0.400 20 0 FCADRL COC[C@]1(C(=O)[O-])CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C1 ZINC001593968865 956591046 /nfs/dbraw/zinc/59/10/46/956591046.db2.gz ZBPCLOQSMONUAN-HNNXBMFYSA-N -2 0 356.400 0.621 20 0 FCADRL O=C([O-])[C@H](Cc1ccncc1)NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001594719736 956963635 /nfs/dbraw/zinc/96/36/35/956963635.db2.gz WSGUJBOLJXIJNS-ZDUSSCGKSA-N -2 0 354.322 0.851 20 0 FCADRL COCc1ccccc1CS(=O)(=O)[N-]C(=O)c1cnc(C(=O)[O-])cn1 ZINC001594029283 957744922 /nfs/dbraw/zinc/74/49/22/957744922.db2.gz SVQIKHQQPDEDSM-UHFFFAOYSA-N -2 0 365.367 0.581 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC001594247251 959587611 /nfs/dbraw/zinc/58/76/11/959587611.db2.gz DRTIXPRUTTYKJZ-QGZVFWFLSA-N -2 0 357.370 0.956 20 0 FCADRL C[C@](O)(CNC(=O)c1cccc(I)c1[O-])C(=O)[O-] ZINC001603261579 972446194 /nfs/dbraw/zinc/44/61/94/972446194.db2.gz IHDRWCFYTQTJEY-NSHDSACASA-N -2 0 365.123 0.562 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001594248159 959599812 /nfs/dbraw/zinc/59/98/12/959599812.db2.gz WKCBPNBLXSBCLD-QGZVFWFLSA-N -2 0 357.370 0.813 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c1 ZINC001574232704 960419273 /nfs/dbraw/zinc/41/92/73/960419273.db2.gz PPSLLXVKIDTMCF-FTJNGKRUSA-N -2 0 370.427 0.241 20 0 FCADRL C[S@@](=O)(=NS(=O)(=O)[N-][C@@]1(C(=O)[O-])CCOC1)c1ccccc1F ZINC001574241858 960466022 /nfs/dbraw/zinc/46/60/22/960466022.db2.gz GJEYYSLCIGNZCQ-YTEVENLXSA-N -2 0 366.392 0.361 20 0 FCADRL O=C([O-])[C@H]1CC(C(=O)NCCc2n[n-]c(=S)o2)=NN1c1ccccc1 ZINC001605792861 972506411 /nfs/dbraw/zinc/50/64/11/972506411.db2.gz YZCJRHRPKJIGTA-LLVKDONJSA-N -2 0 361.383 0.737 20 0 FCADRL CC[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001573936809 961603122 /nfs/dbraw/zinc/60/31/22/961603122.db2.gz VGOWXFJNJUOQEY-VPOLOUISSA-N -2 0 366.336 0.924 20 0 FCADRL CC(C)C[C@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-])CC(=O)[O-] ZINC001588894676 962230119 /nfs/dbraw/zinc/23/01/19/962230119.db2.gz TZQIBBIPZJODBN-JTQLQIEISA-N -2 0 358.416 0.906 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2c([O-])cccc2OC(F)(F)F)CCO1 ZINC001574661160 962490670 /nfs/dbraw/zinc/49/06/70/962490670.db2.gz HWDBKFSKWIDPBM-SECBINFHSA-N -2 0 371.289 0.765 20 0 FCADRL COc1ccc(-n2cc([O-])c(C(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)n2)cc1 ZINC001574194376 962860135 /nfs/dbraw/zinc/86/01/35/962860135.db2.gz KUXKWORHDQQMEW-VOJFVSQTSA-N -2 0 373.365 0.760 20 0 FCADRL Cc1ccc(C(=O)NCC[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cc1 ZINC000315890828 963947000 /nfs/dbraw/zinc/94/70/00/963947000.db2.gz BVDBYZWTIWCWBY-UHFFFAOYSA-N -2 0 353.356 0.390 20 0 FCADRL CNS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000319673941 970559801 /nfs/dbraw/zinc/55/98/01/970559801.db2.gz URAXKTWBDPJWLR-UHFFFAOYSA-N -2 0 359.385 0.422 20 0 FCADRL CNc1ccc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cn1 ZINC001604254497 972793275 /nfs/dbraw/zinc/79/32/75/972793275.db2.gz YCROHGYUJMKRPC-GXSJLCMTSA-N -2 0 374.319 0.860 20 0 FCADRL CC[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cnc(C(=O)[O-])cn2)C1=O ZINC001605149547 972832962 /nfs/dbraw/zinc/83/29/62/972832962.db2.gz KCJJOFYLEURAJL-QGZVFWFLSA-N -2 0 369.337 0.677 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cnn(C2CC2)c1 ZINC001605970956 972978502 /nfs/dbraw/zinc/97/85/02/972978502.db2.gz SXOSTXZANDZGPJ-GHMZBOCLSA-N -2 0 374.319 0.954 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cncs1 ZINC001605970974 972981015 /nfs/dbraw/zinc/98/10/15/972981015.db2.gz TXDWXXUQSDNEPL-HTRCEHHLSA-N -2 0 351.306 0.879 20 0 FCADRL COC(=O)c1c(C)n[n-]c1S(=O)(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC001604366397 973068030 /nfs/dbraw/zinc/06/80/30/973068030.db2.gz UXUYJWLBFGQXQM-UHFFFAOYSA-N -2 0 354.340 0.900 20 0 FCADRL COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)CCO1 ZINC001604558918 973612458 /nfs/dbraw/zinc/61/24/58/973612458.db2.gz ZQIFXFSNWBWQDW-TVQRCGJNSA-N -2 0 370.324 0.018 20 0 FCADRL COc1ccccc1-c1n[nH]c(NC(=O)c2cccn(CC(=O)[O-])c2=O)n1 ZINC001604883587 974135583 /nfs/dbraw/zinc/13/55/83/974135583.db2.gz AEHPHYXZQUDJKZ-UHFFFAOYSA-N -2 0 369.337 0.979 20 0 FCADRL C[C@@H](CCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001592521251 978373445 /nfs/dbraw/zinc/37/34/45/978373445.db2.gz MXTHPZOCPPQFDO-QMMMGPOBSA-N -2 0 363.392 0.954 20 0 FCADRL C[C@@H](CNC(=O)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C(=O)[O-] ZINC001592629179 978608761 /nfs/dbraw/zinc/60/87/61/978608761.db2.gz HYWNOIRFPUOAGK-JQWIXIFHSA-N -2 0 350.371 0.792 20 0 FCADRL O=C([O-])c1cn([C@@H]2CCN(C(=O)c3n[n-]c4ccccc4c3=O)C2)nn1 ZINC000818317973 978913643 /nfs/dbraw/zinc/91/36/43/978913643.db2.gz OKFZXKMZTIRHCI-SECBINFHSA-N -2 0 354.326 0.712 20 0 FCADRL C[C@H](C(=O)[O-])N(CCOc1ccccc1)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001592790177 979437477 /nfs/dbraw/zinc/43/74/77/979437477.db2.gz WYVPOEXNDVNMTB-VXGBXAGGSA-N -2 0 359.400 0.891 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])C1=O ZINC001595372189 980859418 /nfs/dbraw/zinc/85/94/18/980859418.db2.gz ZTOSYMHSFIFAKM-CYBMUJFWSA-N -2 0 359.360 0.508 20 0 FCADRL CCC[C@H](O)[C@H](NS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1)C(=O)[O-] ZINC001595608570 981612522 /nfs/dbraw/zinc/61/25/22/981612522.db2.gz KPJAWTOPJKPGJE-AAEUAGOBSA-N -2 0 363.363 0.345 20 0 FCADRL CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)CC1=O ZINC001595895796 982937607 /nfs/dbraw/zinc/93/76/07/982937607.db2.gz GVKSBXBXPZVXIV-QMMMGPOBSA-N -2 0 360.413 0.510 20 0 FCADRL CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2nnc(CC(=O)[O-])[nH]2)c1 ZINC001596187736 983560653 /nfs/dbraw/zinc/56/06/53/983560653.db2.gz DUPWGDAOCXOZLZ-UHFFFAOYSA-N -2 0 367.387 0.325 20 0 FCADRL CCNC(=O)CCCC(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001596458790 984171340 /nfs/dbraw/zinc/17/13/40/984171340.db2.gz SMVBKKASCKTMMX-UHFFFAOYSA-N -2 0 357.388 0.464 20 0 FCADRL CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CC=C(C(=O)[O-])C1 ZINC001596587882 984523241 /nfs/dbraw/zinc/52/32/41/984523241.db2.gz ZFUCIMZJTWHXON-BDAKNGLRSA-N -2 0 359.322 0.963 20 0 FCADRL CCOC(=O)Cn1nc(C)cc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001596640526 984634726 /nfs/dbraw/zinc/63/47/26/984634726.db2.gz SHAWZEKJXQARIZ-UHFFFAOYSA-N -2 0 368.371 0.649 20 0 FCADRL CCOC(=O)c1cn(C)nc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001596733354 985015905 /nfs/dbraw/zinc/01/59/05/985015905.db2.gz YQVCPHXXUTVHHZ-UHFFFAOYSA-N -2 0 360.373 0.552 20 0 FCADRL CC(=O)N1CCCc2cc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])ccc21 ZINC001589077945 985236138 /nfs/dbraw/zinc/23/61/38/985236138.db2.gz XWYOJWABESGIFX-UHFFFAOYSA-N -2 0 363.370 0.837 20 0 FCADRL CC(=O)N[C@H](CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])c1ccccc1 ZINC001589110812 985345239 /nfs/dbraw/zinc/34/52/39/985345239.db2.gz DXTDOQRKPQZNTD-COPLHBTASA-N -2 0 370.427 0.809 20 0 FCADRL CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001589127902 985406721 /nfs/dbraw/zinc/40/67/21/985406721.db2.gz XCSSHXLNPMWLMN-UHFFFAOYSA-N -2 0 374.390 0.420 20 0 FCADRL CC(=O)NC[C@H](CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])CC(C)C ZINC001589143882 985457495 /nfs/dbraw/zinc/45/74/95/985457495.db2.gz YRDNLDCDGHIXBS-MDZLAQPJSA-N -2 0 364.464 0.730 20 0 FCADRL CC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])s1 ZINC001589145834 985461820 /nfs/dbraw/zinc/46/18/20/985461820.db2.gz JFCIVEZKQQMPQF-HTQZYQBOSA-N -2 0 362.429 0.553 20 0 FCADRL CC(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])cc1F ZINC001589186373 985572747 /nfs/dbraw/zinc/57/27/47/985572747.db2.gz OOZSTWGHZQXGFC-YUMQZZPRSA-N -2 0 360.363 0.953 20 0 FCADRL CCOCCn1cc(C(=O)[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)cn1 ZINC001596944908 986078502 /nfs/dbraw/zinc/07/85/02/986078502.db2.gz ADPAEBBKDNICBG-UHFFFAOYSA-N -2 0 371.371 0.638 20 0 FCADRL CCOC[C@@H](NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-])C(=O)[O-] ZINC001596945379 986085263 /nfs/dbraw/zinc/08/52/63/986085263.db2.gz IYXLOWPVZLLTHI-ZCFIWIBFSA-N -2 0 352.752 0.201 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cnn1-c1ccc(F)cc1 ZINC001599982023 986177034 /nfs/dbraw/zinc/17/70/34/986177034.db2.gz IAIPYOUZEMKFBR-SECBINFHSA-N -2 0 355.347 0.853 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC[C@@H]1CCC(=O)[O-] ZINC001594562598 986335656 /nfs/dbraw/zinc/33/56/56/986335656.db2.gz VBOYYPHKISDYPX-MNOVXSKESA-N -2 0 359.404 0.479 20 0 FCADRL C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N(CCC(=O)[O-])CC(=O)[O-] ZINC001589359887 986362342 /nfs/dbraw/zinc/36/23/42/986362342.db2.gz CACDOPHBQQDPGT-AWEZNQCLSA-N -2 0 363.414 0.585 20 0 FCADRL C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N(CCC(=O)[O-])CC(=O)[O-] ZINC001589359888 986362675 /nfs/dbraw/zinc/36/26/75/986362675.db2.gz CACDOPHBQQDPGT-CQSZACIVSA-N -2 0 363.414 0.585 20 0 FCADRL CCOc1ccc(C(=O)CCC(=O)[N-]S(=O)(=O)CCC(=O)[O-])cc1 ZINC001597056082 986539294 /nfs/dbraw/zinc/53/92/94/986539294.db2.gz QDLRPPYGMWQGAW-UHFFFAOYSA-N -2 0 357.384 0.969 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CCCNC(=O)OC(C)(C)C ZINC001589451023 986843164 /nfs/dbraw/zinc/84/31/64/986843164.db2.gz HDQKHPWRCGHVDI-VHSXEESVSA-N -2 0 366.436 0.847 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)C1CN(C(=O)C2CCCCC2)C1 ZINC001589451827 986845884 /nfs/dbraw/zinc/84/58/84/986845884.db2.gz JHSPSHJKOJFJOT-QWRGUYRKSA-N -2 0 374.459 0.580 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C)c2ccccc21 ZINC001589453230 986859122 /nfs/dbraw/zinc/85/91/22/986859122.db2.gz PCIZXNOGZRYIDV-JBLDHEPKSA-N -2 0 368.411 0.692 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)Nc1ccccc1 ZINC001589453961 986870390 /nfs/dbraw/zinc/87/03/90/986870390.db2.gz RYZAUKBNBYQESM-VHSXEESVSA-N -2 0 357.388 0.363 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(Br)n(C)n1 ZINC001589454731 986884442 /nfs/dbraw/zinc/88/44/42/986884442.db2.gz XQHVJLALFPWSNI-NTSWFWBYSA-N -2 0 368.209 0.351 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc2c1CC(=O)CC2 ZINC001589454825 986885112 /nfs/dbraw/zinc/88/51/12/986885112.db2.gz RRGLSIRLASYSIV-NXEZZACHSA-N -2 0 353.396 0.913 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(N2CCNC2=O)cc1 ZINC001589454812 986885126 /nfs/dbraw/zinc/88/51/26/986885126.db2.gz RJTCYNRITUHTOX-ZJUUUORDSA-N -2 0 369.399 0.385 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1csc(-c2cnn(C)c2)n1 ZINC001589455241 986892542 /nfs/dbraw/zinc/89/25/42/986892542.db2.gz WPRSCIYJXLCHGG-HTQZYQBOSA-N -2 0 372.428 0.712 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1nn(C)c(=O)c2ccccc21 ZINC001589455300 986893825 /nfs/dbraw/zinc/89/38/25/986893825.db2.gz XPSXAHGPGMQEPS-RKDXNWHRSA-N -2 0 367.383 0.102 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1nn(C)c(=O)c2ccccc21 ZINC001589455299 986894532 /nfs/dbraw/zinc/89/45/32/986894532.db2.gz XPSXAHGPGMQEPS-IUCAKERBSA-N -2 0 367.383 0.102 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1csc(S(C)(=O)=O)c1 ZINC001589455340 986895573 /nfs/dbraw/zinc/89/55/73/986895573.db2.gz YIIZYHZNIOIWEL-RQJHMYQMSA-N -2 0 369.442 0.320 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCNC(=O)OCc1ccccc1 ZINC001589493047 987067614 /nfs/dbraw/zinc/06/76/14/987067614.db2.gz BTQPWVMOLBVAIL-LLVKDONJSA-N -2 0 372.399 0.612 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CSCN1C(=O)CC(C)(C)C ZINC001589493644 987069136 /nfs/dbraw/zinc/06/91/36/987069136.db2.gz FAIFJAOFMJZNJD-RKDXNWHRSA-N -2 0 366.461 0.243 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCC(=O)N1CCc2sccc2C1 ZINC001589495829 987075190 /nfs/dbraw/zinc/07/51/90/987075190.db2.gz RGFHYHXBLFCYBV-VIFPVBQESA-N -2 0 374.440 0.332 20 0 FCADRL CCC(=O)C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC)C(=O)[O-] ZINC001594696431 987121218 /nfs/dbraw/zinc/12/12/18/987121218.db2.gz RILLDAOLTXEXQC-SNVBAGLBSA-N -2 0 359.356 0.494 20 0 FCADRL O=C([O-])[C@@]1(NC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)CCOC1 ZINC001594723585 987219028 /nfs/dbraw/zinc/21/90/28/987219028.db2.gz HHTQQXUIIGMMAC-GFCCVEGCSA-N -2 0 350.249 0.432 20 0 FCADRL CC[C@@H](NC(=O)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1)C(=O)[O-] ZINC001597285621 987361319 /nfs/dbraw/zinc/36/13/19/987361319.db2.gz WCWQQKZITLFLDF-OIBJUYFYSA-N -2 0 356.306 0.596 20 0 FCADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NCc2cccc(C(=O)[O-])c2)n1 ZINC001589670933 987666085 /nfs/dbraw/zinc/66/60/85/987666085.db2.gz KDOKWNPKUWTERM-UHFFFAOYSA-N -2 0 374.353 0.656 20 0 FCADRL CC(C)(C)C(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001589689777 987744926 /nfs/dbraw/zinc/74/49/26/987744926.db2.gz RSRJWHWKRZJVLU-JTQLQIEISA-N -2 0 362.448 0.580 20 0 FCADRL CC(C)(C)CC(=O)NCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001589740727 988009810 /nfs/dbraw/zinc/00/98/10/988009810.db2.gz DUSJRNFEMMQAIS-UHFFFAOYSA-N -2 0 362.429 0.804 20 0 FCADRL CC(C)(C)C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])s1)C(=O)[O-] ZINC001589757425 988075881 /nfs/dbraw/zinc/07/58/81/988075881.db2.gz XMIRBRAZEZGVAO-GMSGAONNSA-N -2 0 365.429 0.975 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC2)C1 ZINC001589991575 988895453 /nfs/dbraw/zinc/89/54/53/988895453.db2.gz IBWVAMPQIDEWAX-VIFPVBQESA-N -2 0 362.404 0.307 20 0 FCADRL CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)[N-]S(=O)(=O)CC(=O)[O-])C1 ZINC001590012581 988969339 /nfs/dbraw/zinc/96/93/39/988969339.db2.gz MRLNXPSGHHTOQJ-CQSZACIVSA-N -2 0 364.420 0.554 20 0 FCADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCC(OC)(C(=O)[O-])CC1 ZINC001597778012 989253248 /nfs/dbraw/zinc/25/32/48/989253248.db2.gz KOUABJLHVKGTLA-UHFFFAOYSA-N -2 0 361.372 0.795 20 0 FCADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC001597778095 989254344 /nfs/dbraw/zinc/25/43/44/989254344.db2.gz OBMRBOHPFUZZQJ-VFZGTOFNSA-N -2 0 373.383 0.652 20 0 FCADRL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CCc2ccccc2F)O[C@H]1C(=O)[O-] ZINC001599875985 989419253 /nfs/dbraw/zinc/41/92/53/989419253.db2.gz NSSOVMYKSWCHBA-OASPWFOLSA-N -2 0 359.375 0.692 20 0 FCADRL CCn1c(=O)[nH]c2ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])cc21 ZINC001597835418 989515297 /nfs/dbraw/zinc/51/52/97/989515297.db2.gz GKOYVUHLYOGRJW-DTWKUNHWSA-N -2 0 369.399 0.931 20 0 FCADRL CC(C)(C)OC(=O)NC/C=C/C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001590177579 989516133 /nfs/dbraw/zinc/51/61/33/989516133.db2.gz JSAZNZKOOCGEQL-SNAWJCMRSA-N -2 0 361.376 0.732 20 0 FCADRL CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3cnn(CC(=O)[O-])c3)ccc21 ZINC001597836966 989526171 /nfs/dbraw/zinc/52/61/71/989526171.db2.gz RAQXCPFGORGURQ-UHFFFAOYSA-N -2 0 366.355 0.696 20 0 FCADRL CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC001590246065 989633943 /nfs/dbraw/zinc/63/39/43/989633943.db2.gz CPVGHHKDKHATEX-NSHDSACASA-N -2 0 372.399 0.860 20 0 FCADRL CC(C)(C)OC[C@H](NS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])C(=O)[O-] ZINC001590388782 989910475 /nfs/dbraw/zinc/91/04/75/989910475.db2.gz ISNDXAOTVJDCMQ-DCAQKATOSA-N -2 0 351.421 0.818 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)CCCNC(=O)c1ccccc1)C(=O)[O-] ZINC001590797770 990616707 /nfs/dbraw/zinc/61/67/07/990616707.db2.gz DENBEZKVNYGLFK-UHFFFAOYSA-N -2 0 370.427 0.753 20 0 FCADRL CC(C)C(=O)N1CCC(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001590932015 990946097 /nfs/dbraw/zinc/94/60/97/990946097.db2.gz YBAYZUXTXYHCEC-UHFFFAOYSA-N -2 0 372.399 0.677 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC001599683444 990949225 /nfs/dbraw/zinc/94/92/25/990949225.db2.gz NPXVBHPACVGWMU-OZAJXLCCSA-N -2 0 351.384 0.338 20 0 FCADRL CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)C(=O)[O-] ZINC001590982435 991151101 /nfs/dbraw/zinc/15/11/01/991151101.db2.gz OAVRVEAEELZVCS-NEPJUHHUSA-N -2 0 356.419 0.809 20 0 FCADRL COc1cccnc1CC(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599719408 991511526 /nfs/dbraw/zinc/51/15/26/991511526.db2.gz CINQZEFOKKONAA-UHFFFAOYSA-N -2 0 354.340 0.737 20 0 FCADRL COc1cccnc1CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001599719621 991514765 /nfs/dbraw/zinc/51/47/65/991514765.db2.gz ITSMLERQWYVGOR-UHFFFAOYSA-N -2 0 364.379 0.977 20 0 FCADRL COc1ncc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC001599733159 991736228 /nfs/dbraw/zinc/73/62/28/991736228.db2.gz PMIWIOYNLNTNCP-UHFFFAOYSA-N -2 0 371.758 0.956 20 0 FCADRL COc1ncnc(N(C)C)c1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001599738888 991817240 /nfs/dbraw/zinc/81/72/40/991817240.db2.gz MYBGXPPXTYFXFA-UHFFFAOYSA-N -2 0 366.399 0.979 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)NCc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001598471061 992026526 /nfs/dbraw/zinc/02/65/26/992026526.db2.gz LIOKNZONIKVUBU-UHFFFAOYSA-N -2 0 352.315 0.404 20 0 FCADRL CS(=O)(=O)c1cccc(CS(=O)(=O)[N-]CC(F)(F)C(=O)[O-])c1 ZINC001599772454 992261903 /nfs/dbraw/zinc/26/19/03/992261903.db2.gz VIXBBNZFRIXYQM-UHFFFAOYSA-N -2 0 357.356 0.229 20 0 FCADRL CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1)C(=O)[O-] ZINC001591441929 992540446 /nfs/dbraw/zinc/54/04/46/992540446.db2.gz ZFNLWYQSMDGOJE-GFCCVEGCSA-N -2 0 352.343 0.704 20 0 FCADRL CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001598550672 992999090 /nfs/dbraw/zinc/99/90/90/992999090.db2.gz RWPNFPFYRRZTPG-QMMMGPOBSA-N -2 0 360.775 0.464 20 0 FCADRL CN1C(=O)COc2ccc([N-]S(=O)(=O)c3n[nH]cc3C(=O)[O-])cc21 ZINC001598552872 993023541 /nfs/dbraw/zinc/02/35/41/993023541.db2.gz FLWFCBBINADUTP-UHFFFAOYSA-N -2 0 352.328 0.264 20 0 FCADRL C[C@@H](NC(=O)c1ccc(F)cc1[N-]S(=O)(=O)C[C@@H]1CCCO1)C(=O)[O-] ZINC001593168604 994015314 /nfs/dbraw/zinc/01/53/14/994015314.db2.gz PKQBNUXTTUOUCD-KOLCDFICSA-N -2 0 374.390 0.949 20 0 FCADRL C[C@@H](NC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccn(C)n1)C(=O)[O-] ZINC001593168619 994015506 /nfs/dbraw/zinc/01/55/06/994015506.db2.gz PZHUWJXYSZWUHV-MRVPVSSYSA-N -2 0 370.362 0.563 20 0 FCADRL CN1CCOc2cc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)ccc21 ZINC001598624535 994065349 /nfs/dbraw/zinc/06/53/49/994065349.db2.gz CNMXQUOSMRZQNY-UHFFFAOYSA-N -2 0 352.372 0.597 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cn1 ZINC001598650584 994435971 /nfs/dbraw/zinc/43/59/71/994435971.db2.gz FQXCPCRBGQUJTK-UHFFFAOYSA-N -2 0 372.790 0.782 20 0 FCADRL CNC(=O)c1cc(S(=O)(=O)[N-]c2cnn(C(C)(C)C(=O)[O-])c2)cn1C ZINC001598656645 994532456 /nfs/dbraw/zinc/53/24/56/994532456.db2.gz GFPKPAXLHHQKSW-UHFFFAOYSA-N -2 0 369.403 0.202 20 0 FCADRL COc1cccc(COCC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])c1 ZINC001599675117 994885072 /nfs/dbraw/zinc/88/50/72/994885072.db2.gz MADFJMWLEIYQGG-WDEREUQCSA-N -2 0 359.400 0.767 20 0 FCADRL COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC001598695240 995126316 /nfs/dbraw/zinc/12/63/16/995126316.db2.gz QVWCLRZYBYLYMW-LURJTMIESA-N -2 0 351.358 0.049 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-])c1ccn(C)n1 ZINC001598709456 995330665 /nfs/dbraw/zinc/33/06/65/995330665.db2.gz OEABXSUITMKGQO-NSHDSACASA-N -2 0 371.371 0.521 20 0 FCADRL C[C@@H](c1ccccc1)[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC001593706863 996198690 /nfs/dbraw/zinc/19/86/90/996198690.db2.gz OPNVVPLRTUHVMI-SMDDNHRTSA-N -2 0 370.427 0.874 20 0 FCADRL COC(=O)[C@@H]1CN(C(=O)c2nn(-c3ccccc3)cc2[O-])C[C@H]1C(=O)[O-] ZINC001598819407 996307175 /nfs/dbraw/zinc/30/71/75/996307175.db2.gz OKHNRVIWLWCPEE-VXGBXAGGSA-N -2 0 359.338 0.524 20 0 FCADRL C[C@@]1(Br)C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001593739769 996354099 /nfs/dbraw/zinc/35/40/99/996354099.db2.gz KTQWJFZQIQNXQG-QUBYGPBYSA-N -2 0 352.162 0.956 20 0 FCADRL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC001593783054 996492133 /nfs/dbraw/zinc/49/21/33/996492133.db2.gz INXNJGFOJMYYHI-APPDUMDISA-N -2 0 354.403 0.659 20 0 FCADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(N)=O)nc2)c1 ZINC001599280588 996890604 /nfs/dbraw/zinc/89/06/04/996890604.db2.gz DRMKNLBLQDXADH-UHFFFAOYSA-N -2 0 365.367 0.826 20 0 FCADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])c1 ZINC001599282189 996909154 /nfs/dbraw/zinc/90/91/54/996909154.db2.gz VCZWMGJCJCLOFU-JTQLQIEISA-N -2 0 367.326 0.918 20 0 FCADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-] ZINC001599384486 996920220 /nfs/dbraw/zinc/92/02/20/996920220.db2.gz KCTUFFKFAYIELX-SSDOTTSWSA-N -2 0 367.401 0.301 20 0 FCADRL CC1(C)CN(S(=O)(=O)CC2(C(=O)[O-])CCCCC2)[C@@H](C(=O)[O-])CO1 ZINC001593945092 996986355 /nfs/dbraw/zinc/98/63/55/996986355.db2.gz PQZPVUVYWVJVKT-LLVKDONJSA-N -2 0 363.432 0.915 20 0 FCADRL COCC1(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)CCOCC1 ZINC001599187156 997047738 /nfs/dbraw/zinc/04/77/38/997047738.db2.gz VOMDNYGJGXHXGE-UHFFFAOYSA-N -2 0 361.372 0.534 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])c1ccccc1 ZINC001598894658 997057009 /nfs/dbraw/zinc/05/70/09/997057009.db2.gz YICPFUJMRQDULX-NSHDSACASA-N -2 0 353.356 0.609 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1[C@@H](C)SC[C@H]1C(=O)[O-] ZINC001599501256 997125240 /nfs/dbraw/zinc/12/52/40/997125240.db2.gz IPZBIHQCRNMSBO-APPZFPTMSA-N -2 0 361.397 0.930 20 0 FCADRL COC(=O)c1c(C)nn(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001598911297 997375257 /nfs/dbraw/zinc/37/52/57/997375257.db2.gz DKEASGKVEQSQFQ-UHFFFAOYSA-N -2 0 354.344 0.409 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC001598922752 997597548 /nfs/dbraw/zinc/59/75/48/997597548.db2.gz GTBOEOQDEAWDKX-LLVKDONJSA-N -2 0 357.340 0.409 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NCC[C@H](C)CC(=O)[O-])c1 ZINC001598923244 997607610 /nfs/dbraw/zinc/60/76/10/997607610.db2.gz ZHZKYSJXSDKINU-VIFPVBQESA-N -2 0 373.383 0.951 20 0 FCADRL COc1cc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001599428965 997725221 /nfs/dbraw/zinc/72/52/21/997725221.db2.gz RFSZTWOSORDPEE-INIZCTEOSA-N -2 0 350.327 0.655 20 0 FCADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001599330725 997743482 /nfs/dbraw/zinc/74/34/82/997743482.db2.gz AXIHKQBLYCWFHV-MNOVXSKESA-N -2 0 357.384 0.749 20 0 FCADRL COc1ccc(C2(C(=O)[N-]S(=O)(=O)CC(=O)[O-])CCC2)cc1OC ZINC001599536639 997755750 /nfs/dbraw/zinc/75/57/50/997755750.db2.gz IDYOZHYTXNFEMZ-UHFFFAOYSA-N -2 0 357.384 0.656 20 0 FCADRL COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001599542253 997863486 /nfs/dbraw/zinc/86/34/86/997863486.db2.gz ICWKCYUDWLNOLQ-HWKANZROSA-N -2 0 370.321 0.783 20 0 FCADRL COC(=O)c1cc(NC(=O)CN2CCC(C(=O)[O-])CC2)cc(C(=O)[O-])c1 ZINC001598939598 997939995 /nfs/dbraw/zinc/93/99/95/997939995.db2.gz AYZOAWNININURQ-UHFFFAOYSA-N -2 0 364.354 0.907 20 0 FCADRL CO[C@@H]1CN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)[C@](C)(C(=O)[O-])C1 ZINC001599133689 998000119 /nfs/dbraw/zinc/00/01/19/998000119.db2.gz KDUGLLIYTXEUGX-RVBZMBCESA-N -2 0 354.325 0.780 20 0 FCADRL COc1ccc(CCC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC001599552384 998031079 /nfs/dbraw/zinc/03/10/79/998031079.db2.gz DNHXUOXVTJBSDE-UHFFFAOYSA-N -2 0 370.427 0.785 20 0 FCADRL CO[C@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)[C@](C)(C(=O)[O-])C1 ZINC001599136352 998050340 /nfs/dbraw/zinc/05/03/40/998050340.db2.gz FPJJPPHEORISDO-ABAIWWIYSA-N -2 0 357.384 0.566 20 0 FCADRL CO[C@H]1CN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)[C@@](C)(C(=O)[O-])C1 ZINC001599136428 998051501 /nfs/dbraw/zinc/05/15/01/998051501.db2.gz HPRXJGHQWCAUMZ-IUODEOHRSA-N -2 0 357.384 0.779 20 0 FCADRL CO[C@@H]1COCC[C@H]1CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001599137885 998075258 /nfs/dbraw/zinc/07/52/58/998075258.db2.gz INPZWAMXEVIRBE-UONOGXRCSA-N -2 0 371.411 0.772 20 0 FCADRL CO[C@@H]1COCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001599138984 998094056 /nfs/dbraw/zinc/09/40/56/998094056.db2.gz MSSGUAOCGZCJFT-RKDXNWHRSA-N -2 0 363.413 0.693 20 0 FCADRL COc1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)nn1C ZINC001599355304 998169255 /nfs/dbraw/zinc/16/92/55/998169255.db2.gz MEVJDDAWOSJENX-UHFFFAOYSA-N -2 0 353.356 0.387 20 0 FCADRL COC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001599148446 998251742 /nfs/dbraw/zinc/25/17/42/998251742.db2.gz PBUODCLRVLHWBB-MRXNPFEDSA-N -2 0 363.374 0.182 20 0 FCADRL COCCOc1ccc(CNS(=O)(=O)c2csnc2C(=O)[O-])cn1 ZINC001599258572 998346806 /nfs/dbraw/zinc/34/68/06/998346806.db2.gz AOBUYXSRIHXTRZ-UHFFFAOYSA-N -2 0 373.412 0.740 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CC[C@H](C)[C@H]2C(=O)[O-])c1 ZINC001598962419 998357365 /nfs/dbraw/zinc/35/73/65/998357365.db2.gz APJWGVWQXQEQGD-UFBFGSQYSA-N -2 0 371.367 0.655 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NC2(C(=O)[O-])CCCC2)c1 ZINC001598964768 998395131 /nfs/dbraw/zinc/39/51/31/998395131.db2.gz ZDGXZWTUVWIHIR-UHFFFAOYSA-N -2 0 371.367 0.847 20 0 FCADRL C[C@H]1[C@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001594137916 998397586 /nfs/dbraw/zinc/39/75/86/998397586.db2.gz ZALBDRIVXRHTIF-DTWKUNHWSA-N -2 0 350.393 0.163 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])C1CC1 ZINC001598968055 998459675 /nfs/dbraw/zinc/45/96/75/998459675.db2.gz FDOHERRAMMTWFK-UHFFFAOYSA-N -2 0 357.340 0.409 20 0 FCADRL COc1ccc(-c2ocnc2C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cc1 ZINC001599472348 998471164 /nfs/dbraw/zinc/47/11/64/998471164.db2.gz NQNHWLYLJVICSL-UHFFFAOYSA-N -2 0 354.340 0.885 20 0 FCADRL COc1ccc(-n2nnc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c2C)cc1 ZINC001599473013 998480490 /nfs/dbraw/zinc/48/04/90/998480490.db2.gz KDFMJHBIGWLUFK-SECBINFHSA-N -2 0 368.371 0.117 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)NCCCCC(=O)[O-] ZINC001598969161 998481600 /nfs/dbraw/zinc/48/16/00/998481600.db2.gz YCBOPDMFAIINHC-UHFFFAOYSA-N -2 0 359.356 0.705 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001598969281 998484506 /nfs/dbraw/zinc/48/45/06/998484506.db2.gz PZRNWWNSOPBTRR-WCBMZHEXSA-N -2 0 371.367 0.655 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC001598970216 998502134 /nfs/dbraw/zinc/50/21/34/998502134.db2.gz HJCJRYNXWGWRJN-LLVKDONJSA-N -2 0 373.383 0.807 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)NC1(C(=O)[O-])CCCC1 ZINC001598970823 998511324 /nfs/dbraw/zinc/51/13/24/998511324.db2.gz VYYZMMJFPCGOSY-UHFFFAOYSA-N -2 0 371.367 0.847 20 0 FCADRL COCCn1cc(S(=O)(=O)[N-]c2nc3c(cccc3C(=O)[O-])[nH]2)cn1 ZINC001599272818 998566681 /nfs/dbraw/zinc/56/66/81/998566681.db2.gz ISOVFAODAAESEJ-UHFFFAOYSA-N -2 0 365.371 0.905 20 0 FCADRL COC(=O)c1ccc(CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc1 ZINC001598985231 998692848 /nfs/dbraw/zinc/69/28/48/998692848.db2.gz OTEZQRPSXZZCPV-UHFFFAOYSA-N -2 0 357.384 0.573 20 0 FCADRL COC(=O)c1sc(S(=O)(=O)NC/C=C\C(=O)[O-])c(C(=O)[O-])c1C ZINC001599022794 998994236 /nfs/dbraw/zinc/99/42/36/998994236.db2.gz UXPHDZYHSDIADM-ARJAWSKDSA-N -2 0 363.369 0.460 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-] ZINC000296860394 214366806 /nfs/dbraw/zinc/36/68/06/214366806.db2.gz GKIXKCWEMXHISY-LURJTMIESA-N -2 0 363.735 0.473 20 0 FCADRL Cc1nc(Cl)ccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000287622377 213624782 /nfs/dbraw/zinc/62/47/82/213624782.db2.gz SPYIODKIOCWHDN-BDAKNGLRSA-N -2 0 362.791 0.839 20 0 FCADRL C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc21 ZINC000264467543 209888395 /nfs/dbraw/zinc/88/83/95/209888395.db2.gz HZZCPRQGWNKFED-CPCISQLKSA-N -2 0 356.356 0.339 20 0 FCADRL O=C(c1nn(-c2cccc(F)c2)cc1[O-])N1CCO[C@H](c2nnn[n-]2)C1 ZINC000367354479 216112222 /nfs/dbraw/zinc/11/22/22/216112222.db2.gz RFTYRRYQENHTCZ-LBPRGKRZSA-N -2 0 359.321 0.444 20 0 FCADRL COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000277209658 212340505 /nfs/dbraw/zinc/34/05/05/212340505.db2.gz GKVVLMIAZXHMSR-MRVPVSSYSA-N -2 0 360.344 0.319 20 0 FCADRL Cc1cc(Br)cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000277191597 212338740 /nfs/dbraw/zinc/33/87/40/212338740.db2.gz DHITXRRGUDSVHZ-SECBINFHSA-N -2 0 366.189 0.964 20 0 FCADRL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c(F)c1Cl ZINC000275335476 212009261 /nfs/dbraw/zinc/00/92/61/212009261.db2.gz UPRJEPJQWKEDMY-ZETCQYMHSA-N -2 0 372.733 0.300 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc3c(c2)OCO3)C1 ZINC000275103852 211963482 /nfs/dbraw/zinc/96/34/82/211963482.db2.gz LZTYMECCZSHUHB-AWEZNQCLSA-N -2 0 357.340 0.355 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(=O)[O-] ZINC000275011533 211948305 /nfs/dbraw/zinc/94/83/05/211948305.db2.gz PYHSSJQZLGOFHJ-SNVBAGLBSA-N -2 0 370.383 0.267 20 0 FCADRL CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000417369319 245690529 /nfs/dbraw/zinc/69/05/29/245690529.db2.gz QRUZEIZIWORJCR-RFQIPJPRSA-N -2 0 374.393 0.886 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC000438766229 248095172 /nfs/dbraw/zinc/09/51/72/248095172.db2.gz QYPDOSAMUXQCRZ-UHFFFAOYSA-N -2 0 372.790 0.911 20 0 FCADRL CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])c1nnn[n-]1 ZINC000436782614 248049907 /nfs/dbraw/zinc/04/99/07/248049907.db2.gz OBILRFPGBRYMPG-LLVKDONJSA-N -2 0 368.419 0.427 20 0 FCADRL C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc21 ZINC000278546936 488881582 /nfs/dbraw/zinc/88/15/82/488881582.db2.gz ADAAQXSQNVCXFX-QPUJVOFHSA-N -2 0 370.383 0.729 20 0 FCADRL COc1ccc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c(C(=O)[O-])c1 ZINC000325361787 488909703 /nfs/dbraw/zinc/90/97/03/488909703.db2.gz HTYZVNNNUMLWQL-UHFFFAOYSA-N -2 0 353.356 0.632 20 0 FCADRL CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000324932662 488907958 /nfs/dbraw/zinc/90/79/58/488907958.db2.gz VHBRYKSVNJLEHQ-UHFFFAOYSA-N -2 0 374.396 0.995 20 0 FCADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000047214984 488019714 /nfs/dbraw/zinc/01/97/14/488019714.db2.gz IDNXFLSYMKVYRN-UHFFFAOYSA-N -2 0 352.372 0.642 20 0 FCADRL CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N(C)CC(=O)[O-] ZINC000261880822 488539868 /nfs/dbraw/zinc/53/98/68/488539868.db2.gz QXZVDVYNBZYZQA-UHFFFAOYSA-N -2 0 366.417 0.162 20 0 FCADRL COc1cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cc([N-]S(C)(=O)=O)c1OC ZINC000262937389 488599892 /nfs/dbraw/zinc/59/98/92/488599892.db2.gz YWBMFQLTXJZRFZ-GFCCVEGCSA-N -2 0 374.415 0.914 20 0 FCADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000274342306 488699885 /nfs/dbraw/zinc/69/98/85/488699885.db2.gz INSLSOVUIRVDHB-LLVKDONJSA-N -2 0 357.384 0.808 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cn1 ZINC000264811145 488714817 /nfs/dbraw/zinc/71/48/17/488714817.db2.gz CICIXIMKVLGHDV-UHFFFAOYSA-N -2 0 359.385 0.925 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1cnn(Cc2ccccc2)c1)C(=O)[O-] ZINC000274928650 488744685 /nfs/dbraw/zinc/74/46/85/488744685.db2.gz CLZHHIMRORNGDX-GFCCVEGCSA-N -2 0 367.383 0.385 20 0 FCADRL CC(=O)N1CCc2ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc21 ZINC000274955570 488747863 /nfs/dbraw/zinc/74/78/63/488747863.db2.gz INWNWWRUGNZTHV-NSHDSACASA-N -2 0 370.383 0.049 20 0 FCADRL CC(C)[C@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000274960528 488748070 /nfs/dbraw/zinc/74/80/70/488748070.db2.gz HOBGXABOPJQCSW-VIFPVBQESA-N -2 0 356.360 0.071 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2cccc3c2OCCO3)CC[C@@H]1C(=O)[O-] ZINC000274961145 488748686 /nfs/dbraw/zinc/74/86/86/488748686.db2.gz BLHDZBDEDMRIMH-UWVGGRQHSA-N -2 0 371.367 0.254 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c(C)c1 ZINC000275046862 488756555 /nfs/dbraw/zinc/75/65/55/488756555.db2.gz WLCINFJEOLJRIR-SNVBAGLBSA-N -2 0 359.356 0.235 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c(OC)c1 ZINC000275152691 488766722 /nfs/dbraw/zinc/76/67/22/488766722.db2.gz RXMSWODVRVPZLY-WDEREUQCSA-N -2 0 373.383 0.500 20 0 FCADRL COCCc1ccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cc1 ZINC000275153772 488766781 /nfs/dbraw/zinc/76/67/81/488766781.db2.gz SAEGGUVJGGMRKJ-INIZCTEOSA-N -2 0 371.411 0.816 20 0 FCADRL COC(=O)c1cc(OC)c(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])s1 ZINC000275259351 488777800 /nfs/dbraw/zinc/77/78/00/488777800.db2.gz LZMLDUIQMQXRQX-RXMQYKEDSA-N -2 0 373.355 0.930 20 0 FCADRL CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000275267559 488778329 /nfs/dbraw/zinc/77/83/29/488778329.db2.gz JOSMMRRZVSTUHD-ZETCQYMHSA-N -2 0 356.360 0.310 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161826200 488798778 /nfs/dbraw/zinc/79/87/78/488798778.db2.gz REBQUKSHTCWVMN-SSDOTTSWSA-N -3 0 370.152 0.794 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC000170307845 488813396 /nfs/dbraw/zinc/81/33/96/488813396.db2.gz IMKROKQQBOPBFA-CQSZACIVSA-N -2 0 358.372 0.489 20 0 FCADRL COCCn1cc([N-]S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)cn1 ZINC000299150781 489410841 /nfs/dbraw/zinc/41/08/41/489410841.db2.gz MASPLQMGMUOKOZ-UHFFFAOYSA-N -2 0 369.399 0.966 20 0 FCADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CC(=O)N(C)C)n1 ZINC000299654874 489467851 /nfs/dbraw/zinc/46/78/51/489467851.db2.gz YFFUYRZXOVZODK-UHFFFAOYSA-N -2 0 366.399 0.779 20 0 FCADRL CSc1nc(=NC(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)s[n-]1 ZINC000417761979 489664837 /nfs/dbraw/zinc/66/48/37/489664837.db2.gz LBCUCKRNTMXXLQ-HTQZYQBOSA-N -2 0 373.460 0.514 20 0 FCADRL CCCc1nc(=NC(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)s[n-]1 ZINC000417801350 489666029 /nfs/dbraw/zinc/66/60/29/489666029.db2.gz VRDLEYIWYUZICL-MWLCHTKSSA-N -2 0 369.447 0.744 20 0 FCADRL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c(C(N)=O)n1 ZINC000430977565 489783493 /nfs/dbraw/zinc/78/34/93/489783493.db2.gz GGLVGPNICFUTIM-UHFFFAOYSA-N -3 0 354.344 0.207 20 0 FCADRL Cc1cc(=O)n(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000432175979 489831883 /nfs/dbraw/zinc/83/18/83/489831883.db2.gz KOGPWXFAFPVSLW-UHFFFAOYSA-N -2 0 366.351 0.891 20 0 FCADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000476392289 489884423 /nfs/dbraw/zinc/88/44/23/489884423.db2.gz NSHNOIPZUOTUAA-UHFFFAOYSA-N -2 0 359.385 0.621 20 0 FCADRL CC[C@@H](CS(=O)(=O)[N-]c1cc(S(=O)(=O)NC)ccc1[O-])OC ZINC000421164289 490050506 /nfs/dbraw/zinc/05/05/06/490050506.db2.gz KHWIZAYRBFHQAT-VIFPVBQESA-N -2 0 352.434 0.467 20 0 FCADRL C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000479190228 490071826 /nfs/dbraw/zinc/07/18/26/490071826.db2.gz NOWLLCIIOHFBPH-SECBINFHSA-N -2 0 350.418 0.078 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(=O)[O-])cc2)cn1 ZINC000506597442 490113184 /nfs/dbraw/zinc/11/31/84/490113184.db2.gz YYXLQBIMFLFHRT-UHFFFAOYSA-N -2 0 365.367 0.705 20 0 FCADRL Cc1ccc(-c2cc(=NC(=O)N=c3ncn(CC(=O)N(C)C)[n-]3)[nH][n-]2)o1 ZINC000497722744 490202630 /nfs/dbraw/zinc/20/26/30/490202630.db2.gz OMLJRZOPFSOAGY-UHFFFAOYSA-N -2 0 358.362 0.146 20 0 FCADRL COCCOc1ccccc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000546537661 490218278 /nfs/dbraw/zinc/21/82/78/490218278.db2.gz ZIVCKMYHORDYNE-UHFFFAOYSA-N -2 0 355.372 0.944 20 0 FCADRL COc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc(S(C)(=O)=O)c1 ZINC000507572173 490236524 /nfs/dbraw/zinc/23/65/24/490236524.db2.gz XWALQGOMZYFCJQ-UHFFFAOYSA-N -2 0 374.396 0.926 20 0 FCADRL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000507864592 490272982 /nfs/dbraw/zinc/27/29/82/490272982.db2.gz QEXYECAQAQPMJH-UHFFFAOYSA-N -2 0 374.382 0.992 20 0 FCADRL Cc1nnnn1-c1cc([N-]S(=O)(=O)c2cn(C)cn2)ccc1C(=O)[O-] ZINC000547608371 490330332 /nfs/dbraw/zinc/33/03/32/490330332.db2.gz AFBYWHWCAKBPNF-UHFFFAOYSA-N -2 0 363.359 0.203 20 0 FCADRL COCCOc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1C ZINC000547875708 490371910 /nfs/dbraw/zinc/37/19/10/490371910.db2.gz BWMWVFMVMRHNEL-UHFFFAOYSA-N -2 0 361.372 0.180 20 0 FCADRL C[C@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000547897905 490380720 /nfs/dbraw/zinc/38/07/20/490380720.db2.gz DMGURWOQUYEVOX-XPTSAGLGSA-N -2 0 368.371 0.358 20 0 FCADRL C[C@H]1C(=O)Nc2ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc21 ZINC000547900590 490382582 /nfs/dbraw/zinc/38/25/82/490382582.db2.gz WPZMVKXVCSWVSY-SFYZADRCSA-N -2 0 356.356 0.196 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)N2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC000547922145 490387069 /nfs/dbraw/zinc/38/70/69/490387069.db2.gz VWQBZRSHNZCSTR-XJKCOSOUSA-N -2 0 374.459 0.995 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1N(C)C ZINC000547924657 490388436 /nfs/dbraw/zinc/38/84/36/490388436.db2.gz GVRIGSNUGPPZRL-QWHCGFSZSA-N -2 0 370.427 0.857 20 0 FCADRL O=C([O-])CC1(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCC1 ZINC000547933007 490390442 /nfs/dbraw/zinc/39/04/42/490390442.db2.gz PJZPCLXKIWNWAW-UHFFFAOYSA-N -2 0 368.371 0.359 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CCC(N)=O)n1 ZINC000522746372 490399621 /nfs/dbraw/zinc/39/96/21/490399621.db2.gz VRKBXRWQCYPZMS-UHFFFAOYSA-N -2 0 368.371 0.266 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2C(N)=O)cc1C(=O)[O-] ZINC000499334950 490413659 /nfs/dbraw/zinc/41/36/59/490413659.db2.gz SJHYKHKKEBASKW-UHFFFAOYSA-N -2 0 368.371 0.715 20 0 FCADRL CC(=O)Nc1ccc(C)c(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000548267434 490454228 /nfs/dbraw/zinc/45/42/28/490454228.db2.gz HVDDYOUHTMSIGZ-HNNXBMFYSA-N -2 0 372.399 0.797 20 0 FCADRL C[C@@](CNS(=O)(=O)N1CCc2ccccc2C1)(CC(=O)[O-])C(=O)[O-] ZINC000548590203 490513172 /nfs/dbraw/zinc/51/31/72/490513172.db2.gz HPMKZHCZJBMMOT-HNNXBMFYSA-N -2 0 356.400 0.445 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(OC)ccc2C(=O)[O-])cn1 ZINC000485209337 490513888 /nfs/dbraw/zinc/51/38/88/490513888.db2.gz KNJFKPPQBXHAKV-UHFFFAOYSA-N -2 0 369.355 0.564 20 0 FCADRL COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000548594925 490514440 /nfs/dbraw/zinc/51/44/40/490514440.db2.gz UCPHAHGXSTZRCJ-GPCCPHFNSA-N -2 0 365.404 0.203 20 0 FCADRL CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC000485253377 490519371 /nfs/dbraw/zinc/51/93/71/490519371.db2.gz MIBMUKYLFAJLNG-UHFFFAOYSA-N -2 0 370.362 0.609 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1C(=O)[O-] ZINC000536685554 490606382 /nfs/dbraw/zinc/60/63/82/490606382.db2.gz YSFOLYAIYJUENU-UHFFFAOYSA-N -3 0 353.356 0.936 20 0 FCADRL COC(=O)CC[C@@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000565054891 491348471 /nfs/dbraw/zinc/34/84/71/491348471.db2.gz NLVQODSGWOWHIK-SSDOTTSWSA-N -2 0 373.280 0.928 20 0 FCADRL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c1 ZINC000538093288 490709946 /nfs/dbraw/zinc/70/99/46/490709946.db2.gz VNHKKONDPVIFIX-UHFFFAOYSA-N -2 0 352.372 0.621 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)CCOCC2CCCC2)C[C@H]1C(=O)[O-] ZINC000557082563 491351981 /nfs/dbraw/zinc/35/19/81/491351981.db2.gz KDMPYXNDZHKLOA-CHWSQXEVSA-N -2 0 363.432 0.630 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)CCOCC2CCCC2)C[C@H]1C(=O)[O-] ZINC000557082576 491351989 /nfs/dbraw/zinc/35/19/89/491351989.db2.gz KDMPYXNDZHKLOA-QWHCGFSZSA-N -2 0 363.432 0.630 20 0 FCADRL Cc1onc(N)c1S(=O)(=O)[N-]c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000562450841 491166625 /nfs/dbraw/zinc/16/66/25/491166625.db2.gz MEVRROOVDPOGRC-UHFFFAOYSA-N -2 0 354.344 0.180 20 0 FCADRL COc1ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c(C)c1F ZINC000573057332 491409894 /nfs/dbraw/zinc/40/98/94/491409894.db2.gz LGPKMNYXUHIZJT-AWEZNQCLSA-N -2 0 363.363 0.987 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1cnc2onc(C3CC3)c2c1)C(=O)[O-] ZINC000568517914 491582401 /nfs/dbraw/zinc/58/24/01/491582401.db2.gz GQJJCBLDXGJVTO-JTQLQIEISA-N -2 0 369.355 0.697 20 0 FCADRL COC(=O)C1(CS(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])CCCC1 ZINC000583904348 491854323 /nfs/dbraw/zinc/85/43/23/491854323.db2.gz RDIBTYPJEFYEIQ-CYBMUJFWSA-N -2 0 365.404 0.205 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])ccc1C ZINC000614327740 492024754 /nfs/dbraw/zinc/02/47/54/492024754.db2.gz YDTKIYOLSCKFSV-LLVKDONJSA-N -2 0 359.356 0.378 20 0 FCADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CCC(N)=O)n1 ZINC000605118937 492082534 /nfs/dbraw/zinc/08/25/34/492082534.db2.gz QUHKALWQCPAGHL-UHFFFAOYSA-N -2 0 368.371 0.272 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)n1 ZINC000609218920 492200657 /nfs/dbraw/zinc/20/06/57/492200657.db2.gz WKBHARFIIAVTPX-UHFFFAOYSA-N -2 0 359.385 0.925 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cn1 ZINC000609575580 492214843 /nfs/dbraw/zinc/21/48/43/492214843.db2.gz RTHDUXWNJOWUNG-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1F ZINC000618447888 492228722 /nfs/dbraw/zinc/22/87/22/492228722.db2.gz AMLZLMQGXXABMR-SNVBAGLBSA-N -2 0 363.319 0.209 20 0 FCADRL COc1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1F ZINC000656158775 492558800 /nfs/dbraw/zinc/55/88/00/492558800.db2.gz NPQXWGIELKBSTF-RKDXNWHRSA-N -2 0 361.347 0.630 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)CC3)C[C@@H]1C(=O)[O-] ZINC000656158973 492558886 /nfs/dbraw/zinc/55/88/86/492558886.db2.gz QUQVPRCUGWTYGJ-YPMHNXCESA-N -2 0 367.379 0.612 20 0 FCADRL O=C([O-])[C@@]1(NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])CCOC1 ZINC000656564545 492634383 /nfs/dbraw/zinc/63/43/83/492634383.db2.gz QPCLQPINYBQTFS-LLVKDONJSA-N -2 0 355.290 0.933 20 0 FCADRL COc1ncc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc1Cl ZINC000650418587 492640056 /nfs/dbraw/zinc/64/00/56/492640056.db2.gz FYFKAMNBTLCNJM-SECBINFHSA-N -2 0 366.779 0.730 20 0 FCADRL COc1ccc(F)cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000650417669 492640152 /nfs/dbraw/zinc/64/01/52/492640152.db2.gz URNLRBVXABMLOZ-UWVGGRQHSA-N -2 0 361.347 0.630 20 0 FCADRL COCC1(S(=O)(=O)N[C@H](Cc2ccc(CC(=O)[O-])cc2)C(=O)[O-])CC1 ZINC000650418802 492640785 /nfs/dbraw/zinc/64/07/85/492640785.db2.gz GPPJAIVPZZJWAI-CYBMUJFWSA-N -2 0 371.411 0.408 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CCO)c2)ccc1OCC(=O)[O-] ZINC000625080733 492720815 /nfs/dbraw/zinc/72/08/15/492720815.db2.gz SIBWEZAWEATVEY-UHFFFAOYSA-N -2 0 355.372 0.448 20 0 FCADRL CC(C)(C)n1cnc(=NC(=O)C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)[n-]1 ZINC000652618274 492971331 /nfs/dbraw/zinc/97/13/31/492971331.db2.gz HQUKSRQSTZJZIN-SFHVURJKSA-N -2 0 373.413 0.552 20 0 FCADRL C[C@](CNC(=O)C(=O)N=c1nc2n([n-]1)CCCC2)(C(=O)[O-])c1ccccc1 ZINC000652619409 492972168 /nfs/dbraw/zinc/97/21/68/492972168.db2.gz JSOXKNJTAZBGQH-GOSISDBHSA-N -2 0 371.397 0.134 20 0 FCADRL COc1ccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)c2c(N)noc2C)cc1 ZINC000645935100 492989529 /nfs/dbraw/zinc/98/95/29/492989529.db2.gz CRZCTSMTHSHWNK-NSHDSACASA-N -2 0 355.372 1.068 20 0 FCADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000681563341 493186536 /nfs/dbraw/zinc/18/65/36/493186536.db2.gz PKQFJBCEEBXYSK-LLVKDONJSA-N -2 0 361.420 0.752 20 0 FCADRL CCCN(C)S(=O)(=O)N[C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684562353 493419031 /nfs/dbraw/zinc/41/90/31/493419031.db2.gz UWUFBZZWGVNVDB-CYBMUJFWSA-N -2 0 358.416 0.486 20 0 FCADRL CCc1nc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cn1CC1CC1 ZINC000663284959 493581566 /nfs/dbraw/zinc/58/15/66/493581566.db2.gz AHBRTWPZICUGBR-SNVBAGLBSA-N -2 0 359.404 0.452 20 0 FCADRL CCc1nc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cn1CC1CC1 ZINC000663285469 493581796 /nfs/dbraw/zinc/58/17/96/493581796.db2.gz HADKFTZRJUSUHC-HNNXBMFYSA-N -2 0 373.431 0.699 20 0 FCADRL CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cn1C ZINC000436997563 536098177 /nfs/dbraw/zinc/09/81/77/536098177.db2.gz WOKXQUABBNOAFF-UHFFFAOYSA-N -2 0 367.383 0.932 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)cc1C(=O)[O-] ZINC000326901586 546510174 /nfs/dbraw/zinc/51/01/74/546510174.db2.gz LFBKAQQITIPIDJ-UHFFFAOYSA-N -2 0 362.371 0.983 20 0 FCADRL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])cc1 ZINC000820534756 597655812 /nfs/dbraw/zinc/65/58/12/597655812.db2.gz CAJXGZQAJXBQJV-UHFFFAOYSA-N -2 0 360.413 0.011 20 0 FCADRL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)ccc1C ZINC000324048797 599735870 /nfs/dbraw/zinc/73/58/70/599735870.db2.gz UCFSPFROFVCRTM-UHFFFAOYSA-N -2 0 374.396 0.995 20 0 FCADRL CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c1 ZINC000738176072 599739395 /nfs/dbraw/zinc/73/93/95/599739395.db2.gz IJLMTHZLZDZSCT-UHFFFAOYSA-N -2 0 359.385 0.172 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)NCCC(=O)[O-])c2)no1 ZINC000738463826 599782872 /nfs/dbraw/zinc/78/28/72/599782872.db2.gz PGFJTQKPCXELHN-UHFFFAOYSA-N -2 0 353.356 0.988 20 0 FCADRL COc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000737946484 599799451 /nfs/dbraw/zinc/79/94/51/599799451.db2.gz AZDYFROTQHCDFV-NSHDSACASA-N -2 0 370.427 0.956 20 0 FCADRL CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-])s1 ZINC000736155891 599800549 /nfs/dbraw/zinc/80/05/49/599800549.db2.gz NUINPWICXFDHPB-UHFFFAOYSA-N -2 0 363.417 0.237 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-])c1 ZINC000737713053 599800559 /nfs/dbraw/zinc/80/05/59/599800559.db2.gz KRQYMYWYQVXDSG-UHFFFAOYSA-N -2 0 361.397 0.486 20 0 FCADRL CC(=O)c1[nH]c(CC(=O)[N-]S(=O)(=O)N(C)C(C)C)c(C(=O)[O-])c1C ZINC000736177262 599913491 /nfs/dbraw/zinc/91/34/91/599913491.db2.gz KEWNMDYCTAWYLB-UHFFFAOYSA-N -2 0 359.404 0.468 20 0 FCADRL COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C(C)C ZINC000737633375 599965514 /nfs/dbraw/zinc/96/55/14/599965514.db2.gz MAVGUIFKNPCRJR-VIFPVBQESA-N -2 0 364.401 0.632 20 0 FCADRL Cc1nn2c([n-]nc2SCC(=O)Nc2cccc(C(=O)[O-])c2)nc1=O ZINC000738927423 600003469 /nfs/dbraw/zinc/00/34/69/600003469.db2.gz NPUMVTLLQXPBAW-UHFFFAOYSA-N -2 0 360.355 0.550 20 0 FCADRL O=c1[n-]nnn1-c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1 ZINC000195505786 674478483 /nfs/dbraw/zinc/47/84/83/674478483.db2.gz DCEBFKRZWLSDOD-UHFFFAOYSA-N -2 0 352.763 0.805 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]C(=O)c2cccc(NC(=O)[O-])c2)cc1C(N)=O ZINC000739036047 600056389 /nfs/dbraw/zinc/05/63/89/600056389.db2.gz BOBNLKSCQGGAPV-UHFFFAOYSA-N -2 0 366.355 0.333 20 0 FCADRL O=C([O-])[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1cc(F)ccc1F ZINC000739355891 600152659 /nfs/dbraw/zinc/15/26/59/600152659.db2.gz RUSWXLCMAGWKDQ-LBPRGKRZSA-N -2 0 363.280 0.292 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(OCCC(N)=O)cc2)c1C(=O)[O-] ZINC000738830111 600232672 /nfs/dbraw/zinc/23/26/72/600232672.db2.gz ZVNLQFJJOVNLAQ-UHFFFAOYSA-N -2 0 368.371 0.471 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cnn(Cc3ccccn3)c2)c1C(=O)[O-] ZINC000738335899 600235348 /nfs/dbraw/zinc/23/53/48/600235348.db2.gz ZZFOGYGTARZAAC-UHFFFAOYSA-N -2 0 362.371 0.857 20 0 FCADRL C[C@@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000736782888 600241704 /nfs/dbraw/zinc/24/17/04/600241704.db2.gz DNMFSKKNGAUBFA-YPMHNXCESA-N -2 0 362.448 0.739 20 0 FCADRL COC[C@H](C)S(=O)(=O)[N-]C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC000737744798 600243274 /nfs/dbraw/zinc/24/32/74/600243274.db2.gz BTPMBWPBIQTWPW-ZETCQYMHSA-N -2 0 360.388 0.247 20 0 FCADRL O=C([O-])C[C@H](NC(=O)c1cc(=O)[nH][n-]1)c1ccc(Br)cc1 ZINC000738564220 600359911 /nfs/dbraw/zinc/35/99/11/600359911.db2.gz SLJXSQZBQYNTHF-VIFPVBQESA-N -2 0 354.160 0.957 20 0 FCADRL Cc1ccnc(S(=O)(=O)[N-]C(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000738797612 600360020 /nfs/dbraw/zinc/36/00/20/600360020.db2.gz FQJDEDYBSVBSPY-UHFFFAOYSA-N -2 0 350.352 0.972 20 0 FCADRL CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)ccn1 ZINC000737352556 600360683 /nfs/dbraw/zinc/36/06/83/600360683.db2.gz QSCDGVCLFLEUBB-UHFFFAOYSA-N -2 0 355.397 0.766 20 0 FCADRL CC[C@@H](C(=O)[O-])N(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccccc1 ZINC000736853915 600388997 /nfs/dbraw/zinc/38/89/97/600388997.db2.gz VTDUUBJWZCRIGT-ZDUSSCGKSA-N -2 0 355.354 0.968 20 0 FCADRL CCOCCS(=O)(=O)[N-]C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000737177696 600422629 /nfs/dbraw/zinc/42/26/29/600422629.db2.gz HBJMVPCUGXYKHJ-UHFFFAOYSA-N -2 0 354.384 0.822 20 0 FCADRL Cc1ccc(-n2cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])nn2)cc1 ZINC000738498545 600460329 /nfs/dbraw/zinc/46/03/29/600460329.db2.gz ZCFBXLSOQCXKFN-UHFFFAOYSA-N -2 0 352.372 0.500 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000739696032 600461109 /nfs/dbraw/zinc/46/11/09/600461109.db2.gz VWCFNDQJFBDNRY-ZDUSSCGKSA-N -2 0 368.411 0.346 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCN1C(=O)COc2ccccc21 ZINC000739692285 600461601 /nfs/dbraw/zinc/46/16/01/600461601.db2.gz NRODATPZSWDAOS-UHFFFAOYSA-N -2 0 370.383 0.113 20 0 FCADRL CC1CCC(N2C[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC2=O)CC1 ZINC000736763981 600462072 /nfs/dbraw/zinc/46/20/72/600462072.db2.gz ZPSVTNHNJLXPKS-OTTFEQOBSA-N -2 0 374.459 0.724 20 0 FCADRL COc1ccc2c(ccn2CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1 ZINC000738078949 600465558 /nfs/dbraw/zinc/46/55/58/600465558.db2.gz BBSQKLSCJWVCIU-UHFFFAOYSA-N -2 0 354.384 0.961 20 0 FCADRL O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000739721141 600502680 /nfs/dbraw/zinc/50/26/80/600502680.db2.gz BPGRXUOOLVPTGQ-JTQLQIEISA-N -2 0 362.342 0.532 20 0 FCADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1 ZINC000739765731 600529578 /nfs/dbraw/zinc/52/95/78/600529578.db2.gz FEWWYGDIVSHTOI-UHFFFAOYSA-N -3 0 353.356 0.786 20 0 FCADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cn1 ZINC000739911812 600530107 /nfs/dbraw/zinc/53/01/07/600530107.db2.gz MJIOBKGCIHXCFC-UHFFFAOYSA-N -2 0 364.383 0.895 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)ccc1OC ZINC000737682232 600544485 /nfs/dbraw/zinc/54/44/85/600544485.db2.gz XPQCQVZAOVRYNU-UHFFFAOYSA-N -2 0 369.355 0.564 20 0 FCADRL CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)o1 ZINC000737375726 600626994 /nfs/dbraw/zinc/62/69/94/600626994.db2.gz LPNJFGWHBZNNTI-UHFFFAOYSA-N -2 0 374.400 0.651 20 0 FCADRL NS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000324694393 600627734 /nfs/dbraw/zinc/62/77/34/600627734.db2.gz VDRNTOQAHYAHLT-UHFFFAOYSA-N -2 0 370.408 0.762 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cnn(C[C@H]3CCCO3)c2)cn1 ZINC000324806164 600673475 /nfs/dbraw/zinc/67/34/75/600673475.db2.gz BQNKOSQRWVPQQM-LLVKDONJSA-N -2 0 355.376 0.144 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccccc2N2CCOC2=O)cn1 ZINC000739911550 600674226 /nfs/dbraw/zinc/67/42/26/600674226.db2.gz BQNHQTLLVFJJKP-UHFFFAOYSA-N -2 0 366.355 0.725 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccc(N3CCNC3=O)c2)cn1 ZINC000326801195 600675273 /nfs/dbraw/zinc/67/52/73/600675273.db2.gz SVGOXIGSSUOTLK-UHFFFAOYSA-N -2 0 365.371 0.298 20 0 FCADRL CNC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000831015788 600675771 /nfs/dbraw/zinc/67/57/71/600675771.db2.gz IIQVJTAYKKJSEE-UHFFFAOYSA-N -2 0 368.371 0.137 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccnn2Cc2ccccn2)cn1 ZINC000833273667 600680671 /nfs/dbraw/zinc/68/06/71/600680671.db2.gz BLBCEALKUSUOCI-UHFFFAOYSA-N -2 0 362.371 0.408 20 0 FCADRL COC(=O)CCc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000831160126 600681145 /nfs/dbraw/zinc/68/11/45/600681145.db2.gz NPKHZAYGBIRITK-UHFFFAOYSA-N -2 0 367.383 0.874 20 0 FCADRL CN1C(=O)CCc2cc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)ccc21 ZINC000830901776 600681285 /nfs/dbraw/zinc/68/12/85/600681285.db2.gz LVUSVHIOBOATSV-UHFFFAOYSA-N -2 0 364.383 0.678 20 0 FCADRL COC(=O)NCc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000831207034 600684367 /nfs/dbraw/zinc/68/43/67/600684367.db2.gz SSZVJLBYJGEMOE-UHFFFAOYSA-N -2 0 368.371 0.625 20 0 FCADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)cn1 ZINC000739911626 600694146 /nfs/dbraw/zinc/69/41/46/600694146.db2.gz HSCLPYJZDPGULQ-UHFFFAOYSA-N -2 0 366.355 0.725 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)ccc1C ZINC000831354192 600830008 /nfs/dbraw/zinc/83/00/08/600830008.db2.gz VTVHRXHQKKBSRD-UHFFFAOYSA-N -2 0 354.344 0.259 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC000737543256 600890671 /nfs/dbraw/zinc/89/06/71/600890671.db2.gz OIADPTJOVGTVEY-UHFFFAOYSA-N -2 0 372.790 0.782 20 0 FCADRL CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000829508206 600938043 /nfs/dbraw/zinc/93/80/43/600938043.db2.gz PDJFPSCVGMXAOA-UHFFFAOYSA-N -2 0 362.429 0.948 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000833228626 600947528 /nfs/dbraw/zinc/94/75/28/600947528.db2.gz SKMXEYSGAZPZED-RYUDHWBXSA-N -2 0 369.395 0.872 20 0 FCADRL Cc1cc(C(=O)N2CCSC[C@@H]2CC(=O)[O-])[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000832861628 600965917 /nfs/dbraw/zinc/96/59/17/600965917.db2.gz HUFYSLRUPPTHHX-QMMMGPOBSA-N -2 0 364.383 0.777 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)nc2)cn1 ZINC000324836002 600978434 /nfs/dbraw/zinc/97/84/34/600978434.db2.gz DCYGWQOEYJDQLK-UHFFFAOYSA-N -2 0 351.388 0.764 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)n1 ZINC000833276849 600986235 /nfs/dbraw/zinc/98/62/35/600986235.db2.gz DBGJJXPCQLNGTO-UHFFFAOYSA-N -2 0 362.780 0.526 20 0 FCADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c1 ZINC000831385110 600986856 /nfs/dbraw/zinc/98/68/56/600986856.db2.gz LZGAUMIQOGGSBB-UHFFFAOYSA-N -2 0 374.762 0.604 20 0 FCADRL COC(=O)Cn1cnc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])n1 ZINC000831192941 600987024 /nfs/dbraw/zinc/98/70/24/600987024.db2.gz WNTIYCQPYXIZPX-UHFFFAOYSA-N -2 0 358.332 0.160 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)n1 ZINC000833276678 600987461 /nfs/dbraw/zinc/98/74/61/600987461.db2.gz QWPBPUYMCWPJKE-UHFFFAOYSA-N -2 0 366.334 0.488 20 0 FCADRL O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000833178417 601088722 /nfs/dbraw/zinc/08/87/22/601088722.db2.gz WGBZCCXLIWPYIU-GXTWGEPZSA-N -2 0 373.413 0.953 20 0 FCADRL CCCCC(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000829266863 601143058 /nfs/dbraw/zinc/14/30/58/601143058.db2.gz MJJZLCPERWQGQU-JTQLQIEISA-N -2 0 366.461 0.389 20 0 FCADRL COC[C@](C)(CC(=O)[O-])NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000831563357 601292494 /nfs/dbraw/zinc/29/24/94/601292494.db2.gz FNRQAPPASHUZLA-HNNXBMFYSA-N -2 0 350.331 0.354 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC000732923149 601326194 /nfs/dbraw/zinc/32/61/94/601326194.db2.gz QDQXMOOGAJRYTN-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1 ZINC000831440354 601326577 /nfs/dbraw/zinc/32/65/77/601326577.db2.gz XGULBMGIBCLNIZ-UHFFFAOYSA-N -2 0 369.355 0.564 20 0 FCADRL O=C([O-])[C@H]1c2ccccc2CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000833195623 601475748 /nfs/dbraw/zinc/47/57/48/601475748.db2.gz JOMMDNJJFKWNBD-CQSZACIVSA-N -2 0 353.338 0.282 20 0 FCADRL O=C([O-])C1(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCCCC1 ZINC000760122063 601506332 /nfs/dbraw/zinc/50/63/32/601506332.db2.gz YIPIGDVDEFOAKS-UHFFFAOYSA-N -2 0 368.371 0.502 20 0 FCADRL CCCCC[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000829346926 601521032 /nfs/dbraw/zinc/52/10/32/601521032.db2.gz FDQPJNMKXYYKEY-SNVBAGLBSA-N -2 0 370.387 0.748 20 0 FCADRL Cc1nnnn1-c1cc(NS(=O)(=O)C[C@H](C)C(=O)[O-])ccc1C(=O)[O-] ZINC000833020038 601617220 /nfs/dbraw/zinc/61/72/20/601617220.db2.gz YNTFOWVFXGGOHD-ZETCQYMHSA-N -2 0 369.359 0.131 20 0 FCADRL Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000832992255 601738710 /nfs/dbraw/zinc/73/87/10/601738710.db2.gz FFFQXFHLMKMFLE-ZDUSSCGKSA-N -2 0 372.381 0.797 20 0 FCADRL CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000828700633 601769617 /nfs/dbraw/zinc/76/96/17/601769617.db2.gz PKTDWLYSNAIRTG-UWVGGRQHSA-N -2 0 366.461 0.245 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cn1 ZINC000831192510 601837052 /nfs/dbraw/zinc/83/70/52/601837052.db2.gz LEWTXUITKRARJN-UHFFFAOYSA-N -2 0 374.762 0.604 20 0 FCADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccnc1-n1cncn1 ZINC000833345341 601840337 /nfs/dbraw/zinc/84/03/37/601840337.db2.gz ABOXBJMBCTVLTB-UHFFFAOYSA-N -2 0 352.357 0.618 20 0 FCADRL CCOC(=O)c1nnc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])s1 ZINC000829895816 602153973 /nfs/dbraw/zinc/15/39/73/602153973.db2.gz XSZNWWVRYXOSEB-UHFFFAOYSA-N -2 0 361.361 0.245 20 0 FCADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000827303280 602193924 /nfs/dbraw/zinc/19/39/24/602193924.db2.gz CVZJBGZRCJSNPH-VIFPVBQESA-N -2 0 355.347 0.927 20 0 FCADRL O=C(CC1CCSCC1)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000833098192 602347969 /nfs/dbraw/zinc/34/79/69/602347969.db2.gz YMODCRPINWEQGJ-UHFFFAOYSA-N -2 0 350.462 0.677 20 0 FCADRL CN(C1(C(=O)[O-])CCCC1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000830656046 604414894 /nfs/dbraw/zinc/41/48/94/604414894.db2.gz ULNPQKJPUYLATP-UHFFFAOYSA-N -2 0 368.371 0.454 20 0 FCADRL CC(C)NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1 ZINC000833502520 604475273 /nfs/dbraw/zinc/47/52/73/604475273.db2.gz CKDKTTZMLJYWSO-UHFFFAOYSA-N -2 0 356.400 0.749 20 0 FCADRL CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000829961127 604714171 /nfs/dbraw/zinc/71/41/71/604714171.db2.gz PKRXGSJSNXEBQP-VIFPVBQESA-N -2 0 350.331 0.306 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000833715658 604881320 /nfs/dbraw/zinc/88/13/20/604881320.db2.gz VRXWCVNAIWYMOZ-NSHDSACASA-N -2 0 373.383 0.949 20 0 FCADRL COc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000392549005 605166782 /nfs/dbraw/zinc/16/67/82/605166782.db2.gz YBFDROIGDWURSY-UHFFFAOYSA-N -2 0 356.316 0.685 20 0 FCADRL O=C([O-])NCC(=O)[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000833777598 605503019 /nfs/dbraw/zinc/50/30/19/605503019.db2.gz YCETVJXQPSWURM-UHFFFAOYSA-N -2 0 350.736 0.184 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2O)cc1C(=O)[O-] ZINC000822684789 606211224 /nfs/dbraw/zinc/21/12/24/606211224.db2.gz IPAQUVPQTNYPKO-UHFFFAOYSA-N -2 0 364.343 0.410 20 0 FCADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)cc1O ZINC000823387570 606624154 /nfs/dbraw/zinc/62/41/54/606624154.db2.gz PLUHZCVGUPJYCN-UHFFFAOYSA-N -2 0 362.327 0.466 20 0 FCADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nn[nH]n1 ZINC000822553487 606709087 /nfs/dbraw/zinc/70/90/87/606709087.db2.gz LJMMWZXPKNYIBV-UHFFFAOYSA-N -2 0 369.388 0.469 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1nn(C)cc1-c1nn[nH]n1 ZINC000822021383 606870425 /nfs/dbraw/zinc/87/04/25/606870425.db2.gz ZGWAKUWRBGHDGR-UHFFFAOYSA-N -2 0 363.359 0.408 20 0 FCADRL O=C([O-])C1([N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCCC1 ZINC000826461464 608010765 /nfs/dbraw/zinc/01/07/65/608010765.db2.gz WAHUAVXIFONEJM-UHFFFAOYSA-N -2 0 373.341 0.821 20 0 FCADRL Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000826255962 608396253 /nfs/dbraw/zinc/39/62/53/608396253.db2.gz PTCJARPAXJWSRB-UHFFFAOYSA-N -2 0 363.359 0.408 20 0 FCADRL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000788178617 665165080 /nfs/dbraw/zinc/16/50/80/665165080.db2.gz APUJDTXNCYTQEO-QMMMGPOBSA-N -2 0 371.337 0.799 20 0 FCADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)c1ccccn1 ZINC000054294688 665174451 /nfs/dbraw/zinc/17/44/51/665174451.db2.gz MIIFBQRFDKYLKX-UHFFFAOYSA-N -2 0 365.367 0.341 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000044243036 666454766 /nfs/dbraw/zinc/45/47/66/666454766.db2.gz NLGMYBXABCLZIH-MRVPVSSYSA-N -2 0 367.177 0.440 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)C(=O)[O-] ZINC000916110137 666992002 /nfs/dbraw/zinc/99/20/02/666992002.db2.gz LLNJXJQUOWVRRU-MRVPVSSYSA-N -3 0 351.720 0.244 20 0 FCADRL COc1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc(C(=O)[O-])c1OC ZINC000917729697 667084452 /nfs/dbraw/zinc/08/44/52/667084452.db2.gz SEQDQBUIAPWWSS-UHFFFAOYSA-N -2 0 373.383 0.887 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cn1 ZINC000753775470 667565841 /nfs/dbraw/zinc/56/58/41/667565841.db2.gz JUJCVFVVCYAXJG-UHFFFAOYSA-N -2 0 370.362 0.576 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cc(C(=O)[O-])c1Cl ZINC000759092087 667793260 /nfs/dbraw/zinc/79/32/60/667793260.db2.gz WXRVLBRZAMJZAK-UHFFFAOYSA-N -2 0 372.790 0.829 20 0 FCADRL CN1C(=O)CCc2cc([N-]S(=O)(=O)c3n[nH]cc3C(=O)[O-])ccc21 ZINC000738009423 667897533 /nfs/dbraw/zinc/89/75/33/667897533.db2.gz WKIARBMPUWMREQ-UHFFFAOYSA-N -2 0 350.356 0.818 20 0 FCADRL COC(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC000790618538 668878686 /nfs/dbraw/zinc/87/86/86/668878686.db2.gz WKNGQNJCZMLGMG-CQSZACIVSA-N -2 0 374.371 0.709 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)CCC(F)(F)F ZINC000797260665 669159887 /nfs/dbraw/zinc/15/98/87/669159887.db2.gz ADHZIWVKUJBLON-UHFFFAOYSA-N -2 0 358.260 0.842 20 0 FCADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C(=O)[O-])cn1 ZINC000832583361 669910813 /nfs/dbraw/zinc/91/08/13/669910813.db2.gz RZDUFCULJGLENL-QWRGUYRKSA-N -2 0 365.367 0.407 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC000843337937 670800426 /nfs/dbraw/zinc/80/04/26/670800426.db2.gz PIGVPEVPZFKTCM-DTWKUNHWSA-N -2 0 350.297 0.365 20 0 FCADRL CCc1cc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])[nH]n1 ZINC000851701453 671460851 /nfs/dbraw/zinc/46/08/51/671460851.db2.gz GRRGKPUZFUEDTO-WCBMZHEXSA-N -2 0 362.308 0.708 20 0 FCADRL O=C([O-])CCc1ccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])cc1 ZINC000853063192 671536130 /nfs/dbraw/zinc/53/61/30/671536130.db2.gz ZYXPQIVTIIJCSF-GFCCVEGCSA-N -2 0 357.384 0.568 20 0 FCADRL COCC1(C(=O)[O-])CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1 ZINC000853062365 671536132 /nfs/dbraw/zinc/53/61/32/671536132.db2.gz MOKOHBBHPVXYNU-UHFFFAOYSA-N -2 0 360.388 0.225 20 0 FCADRL COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1C ZINC000863406183 672121452 /nfs/dbraw/zinc/12/14/52/672121452.db2.gz XAXQHNAZGAVDKS-JTQLQIEISA-N -2 0 360.344 0.380 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc1 ZINC000863951402 672163531 /nfs/dbraw/zinc/16/35/31/672163531.db2.gz GZKZNLIUMHGYFX-OAHLLOKOSA-N -2 0 354.384 0.951 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)cc1 ZINC000863951671 672163535 /nfs/dbraw/zinc/16/35/35/672163535.db2.gz QBXNPMWUXOEOEX-UHFFFAOYSA-N -2 0 352.368 0.871 20 0 FCADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000863953743 672164560 /nfs/dbraw/zinc/16/45/60/672164560.db2.gz XGIALXUHADSXOL-ZDUSSCGKSA-N -2 0 354.384 0.733 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)c1 ZINC000863954086 672164880 /nfs/dbraw/zinc/16/48/80/672164880.db2.gz LMKLMVBJVALXSZ-UHFFFAOYSA-N -2 0 353.352 0.699 20 0 FCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2ccc(Br)cn2)CCC1 ZINC000863954746 672165268 /nfs/dbraw/zinc/16/52/68/672165268.db2.gz LOIZMIMZFGBLBX-UHFFFAOYSA-N -2 0 363.189 0.904 20 0 FCADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000863954603 672165278 /nfs/dbraw/zinc/16/52/78/672165278.db2.gz GOZQAHYTHGEFDH-UHFFFAOYSA-N -2 0 356.400 0.790 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])CC2(C)C)nc1 ZINC000863956549 672166190 /nfs/dbraw/zinc/16/61/90/672166190.db2.gz AKTWBZGKMBAMAJ-HNNXBMFYSA-N -2 0 370.383 0.564 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)nc1 ZINC000863958066 672166883 /nfs/dbraw/zinc/16/68/83/672166883.db2.gz YZZBPUIVJHEHDZ-UHFFFAOYSA-N -2 0 368.367 0.484 20 0 FCADRL O=C([O-])COc1cccc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)c1 ZINC000863959539 672167382 /nfs/dbraw/zinc/16/73/82/672167382.db2.gz IIPORAHWVKBCQM-UHFFFAOYSA-N -2 0 365.367 0.411 20 0 FCADRL COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000863959296 672167443 /nfs/dbraw/zinc/16/74/43/672167443.db2.gz ZTYDKZUAYIBMAV-VHSXEESVSA-N -2 0 373.383 0.407 20 0 FCADRL O=C([O-])CSCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000863960234 672168039 /nfs/dbraw/zinc/16/80/39/672168039.db2.gz XLOZEWXHICGFDC-UHFFFAOYSA-N -2 0 372.424 0.584 20 0 FCADRL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cn1 ZINC000863960811 672168296 /nfs/dbraw/zinc/16/82/96/672168296.db2.gz ACZVBCBUEXTMQD-LLVKDONJSA-N -2 0 358.372 0.571 20 0 FCADRL Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)cc12 ZINC000863962618 672169271 /nfs/dbraw/zinc/16/92/71/672169271.db2.gz QNIMAHUPUIXWMH-LLVKDONJSA-N -2 0 354.388 0.438 20 0 FCADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1C(N)=O ZINC000863962680 672169572 /nfs/dbraw/zinc/16/95/72/672169572.db2.gz TVWTXYUGLXZLRK-UHFFFAOYSA-N -2 0 356.400 0.623 20 0 FCADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1cccc2c1OCCO2 ZINC000863963669 672169821 /nfs/dbraw/zinc/16/98/21/672169821.db2.gz DCWZQJHBZWGFAX-INIZCTEOSA-N -2 0 369.395 0.905 20 0 FCADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000863963818 672170165 /nfs/dbraw/zinc/17/01/65/672170165.db2.gz HWNRLSXXAAHSCQ-ZETCQYMHSA-N -2 0 357.310 0.601 20 0 FCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CC=CC1 ZINC000863964212 672170198 /nfs/dbraw/zinc/17/01/98/672170198.db2.gz OZMPJVLNRKUQBC-SNVBAGLBSA-N -2 0 355.372 0.070 20 0 FCADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000863964383 672170375 /nfs/dbraw/zinc/17/03/75/672170375.db2.gz SOBZFHTWTKLVOB-JTQLQIEISA-N -2 0 359.404 0.540 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1cccc2c1OCCO2 ZINC000863964544 672170468 /nfs/dbraw/zinc/17/04/68/672170468.db2.gz WCAUOGSVFCVSKJ-GFCCVEGCSA-N -2 0 357.384 0.761 20 0 FCADRL O=C(c1ccc2oc(=O)nc-2[n-]1)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076457919 1194497530 /nfs/dbraw/zinc/49/75/30/1194497530.db2.gz XDTZTZLFLUQIOL-WCBMZHEXSA-N -2 0 371.357 0.099 20 0 FCADRL CC(=O)N[C@H](C(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-])C(C)C ZINC000013082393 1212702363 /nfs/dbraw/zinc/70/23/63/1212702363.db2.gz XESGEHAONBGDRS-AWEZNQCLSA-N -2 0 359.386 0.500 20 0 FCADRL COC(=O)c1cc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(OC)c1 ZINC001223485598 1225709266 /nfs/dbraw/zinc/70/92/66/1225709266.db2.gz ZBENWHRFNOUOOM-AAEUAGOBSA-N -2 0 370.310 0.061 20 0 FCADRL CCOC(=O)c1ccccc1CCOC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001224851953 1225795662 /nfs/dbraw/zinc/79/56/62/1225795662.db2.gz AWJWZVGHJNUWCT-TZMCWYRMSA-N -2 0 368.338 0.485 20 0 FCADRL Cc1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc(-c2ccccn2)n1 ZINC001226271783 1225838419 /nfs/dbraw/zinc/83/84/19/1225838419.db2.gz FYWYTZUNBNDULD-RNCFNFMXSA-N -2 0 361.310 0.289 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)NCCCc3n[nH]c(=O)[n-]3)cc2[n-]c1=S ZINC000748383523 1218714991 /nfs/dbraw/zinc/71/49/91/1218714991.db2.gz VIINPLPJIYMOBR-UHFFFAOYSA-N -2 0 374.426 0.891 20 0 FCADRL COc1cc(CCC(C)=O)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227530017 1225878438 /nfs/dbraw/zinc/87/84/38/1225878438.db2.gz YZFGHVCDBKYLOW-NHYWBVRUSA-N -2 0 368.338 0.659 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccccc1C(=O)N1CCCC1)[C@@H](O)C(=O)[O-] ZINC001227778155 1225885332 /nfs/dbraw/zinc/88/53/32/1225885332.db2.gz PKGYBBUMDGLNDZ-BXUZGUMPSA-N -2 0 365.338 0.364 20 0 FCADRL CCOC(=O)COc1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228348910 1225913493 /nfs/dbraw/zinc/91/34/93/1225913493.db2.gz IOCWQJIWIOKBJR-OTYXRUKQSA-N -2 0 370.310 0.070 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ncnc2c3ccccc3[nH]c21)[C@@H](O)C(=O)[O-] ZINC001228784972 1225950634 /nfs/dbraw/zinc/95/06/34/1225950634.db2.gz YOTRGXOEFSMUIQ-AMIZOPFISA-N -2 0 359.294 0.553 20 0 FCADRL COc1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(C(C)=O)cc1OC ZINC001229497773 1226015366 /nfs/dbraw/zinc/01/53/66/1226015366.db2.gz HCYCORHQNWSUON-YMTOWFKASA-N -2 0 370.310 0.348 20 0 FCADRL COC(=O)c1cc(C)c(O)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1C ZINC001230259245 1226069319 /nfs/dbraw/zinc/06/93/19/1226069319.db2.gz IRMZPBKTADVTEV-BXKDBHETSA-N -2 0 370.310 0.237 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)ncc1-c1ccccc1)[C@H](O)C(=O)[O-] ZINC001230974972 1226093850 /nfs/dbraw/zinc/09/38/50/1226093850.db2.gz OGNIAEYNNHGROM-SKDRFNHKSA-N -2 0 362.294 0.291 20 0 FCADRL COC(=O)/C=C\c1ccc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001231330379 1226103636 /nfs/dbraw/zinc/10/36/36/1226103636.db2.gz MRSVAQMXZHKTRB-HWMXVSROSA-N -2 0 368.294 0.020 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(OCCOC2CC2)cc1)[C@H](O)C(=O)[O-] ZINC001234542645 1259562080 /nfs/dbraw/zinc/56/20/80/1259562080.db2.gz ZRFLKPKLSYEIDI-ZFWWWQNUSA-N -2 0 368.338 0.686 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ncccc1C(=O)c1ccccc1)[C@H](O)C(=O)[O-] ZINC001234663828 1259563838 /nfs/dbraw/zinc/56/38/38/1259563838.db2.gz QBAALEKEVPGTSH-DOMZBBRYSA-N -2 0 373.317 0.754 20 0 FCADRL Cc1cc(=O)c2c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc([O-])cc2o1 ZINC001234821503 1259564903 /nfs/dbraw/zinc/56/49/03/1259564903.db2.gz TUTWXFQFAFWLEV-RTHLEPHNSA-N -3 0 366.278 0.249 20 0 FCADRL C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001333521116 1266622565 /nfs/dbraw/zinc/62/25/65/1266622565.db2.gz WFJODDZMLVWYOB-ZDUSSCGKSA-N -2 0 357.292 0.306 20 0 FCADRL C[C@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)[C@@H]1C[C@@H](C(=O)[O-])C1(C)C ZINC001552398025 1268457791 /nfs/dbraw/zinc/45/77/91/1268457791.db2.gz HOHHOVKHCOIHIO-NTJNJQCLSA-N -2 0 354.403 0.864 20 0 FCADRL C[C@H](O)CN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)CC(F)F ZINC001575480110 1272149450 /nfs/dbraw/zinc/14/94/50/1272149450.db2.gz PTGBLARUTIHURB-ZETCQYMHSA-N -2 0 354.321 0.063 20 0 FCADRL CCOC(=O)CN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C(C)C ZINC001578245517 1275548195 /nfs/dbraw/zinc/54/81/95/1275548195.db2.gz UQNVJIOKZLBIAH-UHFFFAOYSA-N -2 0 360.378 0.389 20 0 FCADRL C[C@H](C(=O)NCCc1cccs1)S(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001603166876 1287319231 /nfs/dbraw/zinc/31/92/31/1287319231.db2.gz PPQUQJWPNKGZAF-MRVPVSSYSA-N -2 0 357.413 0.691 20 0 FCADRL C[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])n1ccc2ccccc2c1=O ZINC001603173469 1287321698 /nfs/dbraw/zinc/32/16/98/1287321698.db2.gz MDPKCWJAOVFRCP-ZJUUUORDSA-N -2 0 352.368 0.482 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)OC(C)(C)C ZINC001603187536 1287324950 /nfs/dbraw/zinc/32/49/50/1287324950.db2.gz IIBCOCFKQVODOL-IUCAKERBSA-N -2 0 351.421 0.910 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cnc(-c2cnn(C)c2)s1 ZINC001603186932 1287325091 /nfs/dbraw/zinc/32/50/91/1287325091.db2.gz CYEYYACMTLBXFP-YUMQZZPRSA-N -2 0 372.428 0.712 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2=O)cc1 ZINC001603188077 1287325131 /nfs/dbraw/zinc/32/51/31/1287325131.db2.gz LINJHMDUSZIJRA-MNOVXSKESA-N -2 0 368.411 0.982 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(F)F)nc1 ZINC001603190247 1287326201 /nfs/dbraw/zinc/32/62/01/1287326201.db2.gz VNWJDJSCYRGDBI-YUMQZZPRSA-N -2 0 366.342 0.894 20 0 FCADRL C[C@@H](C(=O)[O-])N(Cc1cccnc1)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001603198213 1287327897 /nfs/dbraw/zinc/32/78/97/1287327897.db2.gz GLPMBARLWZZBAH-NSHDSACASA-N -2 0 356.400 0.941 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1 ZINC001603201923 1287329215 /nfs/dbraw/zinc/32/92/15/1287329215.db2.gz PUQBWEFEKUJHRC-BMIGLBTASA-N -2 0 361.416 0.974 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cnn(-c2ccc(Cl)cc2)n1 ZINC001603204403 1287331005 /nfs/dbraw/zinc/33/10/05/1287331005.db2.gz OLWIMVXYIXMJRP-SSDOTTSWSA-N -2 0 358.763 0.453 20 0 FCADRL CC(C)(C)OC(=O)CCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001603364844 1287361511 /nfs/dbraw/zinc/36/15/11/1287361511.db2.gz FBVAHGBRZIEHHF-UHFFFAOYSA-N -2 0 364.420 0.266 20 0 FCADRL CC(C)(C)OC(=O)CN(CCC(=O)[O-])C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001603372609 1287363297 /nfs/dbraw/zinc/36/32/97/1287363297.db2.gz CDSAHDWWXHOSOA-UHFFFAOYSA-N -2 0 360.392 0.247 20 0 FCADRL CC(C)[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1)C(=O)[O-] ZINC001603386750 1287364679 /nfs/dbraw/zinc/36/46/79/1287364679.db2.gz RRPFTKUJCJAHSK-JTQLQIEISA-N -2 0 366.765 0.684 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)[N-]S(=O)(=O)CC(=O)[O-])C1 ZINC001603397276 1287367656 /nfs/dbraw/zinc/36/76/56/1287367656.db2.gz TVEYVAKSNPQTFP-WCBMZHEXSA-N -2 0 368.383 0.112 20 0 FCADRL CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)CC(F)F ZINC001603478997 1287386702 /nfs/dbraw/zinc/38/67/02/1287386702.db2.gz WSQMVUONPGMTQQ-LURJTMIESA-N -2 0 360.335 0.066 20 0 FCADRL CC(C)(CS(=O)(=O)[N-][C@H](CO)c1nc(-c2ccccc2)no1)C(=O)[O-] ZINC001603659627 1287459507 /nfs/dbraw/zinc/45/95/07/1287459507.db2.gz DEENZJAOVTWMMS-LLVKDONJSA-N -2 0 369.399 0.800 20 0 FCADRL CC(C)CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c1ccccc1 ZINC001603761276 1287490397 /nfs/dbraw/zinc/49/03/97/1287490397.db2.gz QUUVZNLWTRPBNM-RISCZKNCSA-N -2 0 370.427 0.809 20 0 FCADRL C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)CC[C@@H]1CCC(=O)[O-] ZINC001603939906 1287539199 /nfs/dbraw/zinc/53/91/99/1287539199.db2.gz XGDTXGTZZSVJRB-UWVGGRQHSA-N -2 0 369.403 0.971 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001603971755 1287547140 /nfs/dbraw/zinc/54/71/40/1287547140.db2.gz QRFYYLYMJZDITH-AEJSXWLSSA-N -2 0 354.325 0.828 20 0 FCADRL O=C(c1cccc(Br)c1[O-])N1CCC(O)(c2nnn[n-]2)CC1 ZINC001633896013 1282283924 /nfs/dbraw/zinc/28/39/24/1282283924.db2.gz XQHFFMMNLTUECA-UHFFFAOYSA-N -2 0 368.191 0.792 20 0 FCADRL C[C@H](CNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1Br)C(=O)[O-] ZINC001604170005 1287584158 /nfs/dbraw/zinc/58/41/58/1287584158.db2.gz YMZZOTNQIUHRRJ-ZCFIWIBFSA-N -2 0 373.159 0.923 20 0 FCADRL C[C@H](CS(=O)(=O)N(CC(=O)[O-])Cc1ccc2c(c1)OCCO2)C(=O)[O-] ZINC001604206382 1287590291 /nfs/dbraw/zinc/59/02/91/1287590291.db2.gz IWFRUXIEWCZJEN-SNVBAGLBSA-N -2 0 373.383 0.395 20 0 FCADRL C[C@H](CS(=O)(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-])C(=O)[O-] ZINC001604209196 1287591985 /nfs/dbraw/zinc/59/19/85/1287591985.db2.gz GLWMTQSIFTVHTQ-OQPBUACISA-N -2 0 372.374 0.943 20 0 FCADRL C[C@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001604257136 1287595359 /nfs/dbraw/zinc/59/53/59/1287595359.db2.gz VGZCVZGEOZMOTC-NOTQWWDFSA-N -2 0 354.403 0.561 20 0 FCADRL Cc1c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)nnn1Cc1ccc(F)cc1F ZINC001641708347 1282969552 /nfs/dbraw/zinc/96/95/52/1282969552.db2.gz FDPNLHSJAAJINQ-UHFFFAOYSA-N -2 0 351.273 0.300 20 0 FCADRL C[C@@H](CC(=O)[O-])C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001589795728 1283009556 /nfs/dbraw/zinc/00/95/56/1283009556.db2.gz YKZBUBSDOKQTGO-VIFPVBQESA-N -2 0 369.403 0.971 20 0 FCADRL C[C@@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)[N-]OCCCC(=O)[O-] ZINC001604370044 1287618426 /nfs/dbraw/zinc/61/84/26/1287618426.db2.gz SVAZYSDSEOAKLW-GOSISDBHSA-N -2 0 364.398 0.974 20 0 FCADRL C[C@H]1COCC[C@H]1C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001590323650 1283466701 /nfs/dbraw/zinc/46/67/01/1283466701.db2.gz KUGOQRNNUTYWSZ-WCBMZHEXSA-N -2 0 359.346 0.331 20 0 FCADRL Cc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)ncc1-c1nn[nH]n1 ZINC001591913545 1285005438 /nfs/dbraw/zinc/00/54/38/1285005438.db2.gz OCBLQTBYBDUKLS-SECBINFHSA-N -2 0 355.362 0.414 20 0 FCADRL Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-] ZINC001592109178 1285143435 /nfs/dbraw/zinc/14/34/35/1285143435.db2.gz DPMILYGFRQEJIZ-UHFFFAOYSA-N -2 0 353.360 0.091 20 0 FCADRL Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)CC2Cc3ccccc3C2)n1 ZINC001592559748 1285471522 /nfs/dbraw/zinc/47/15/22/1285471522.db2.gz CNIRHPNWZDVJHM-UHFFFAOYSA-N -2 0 359.415 0.757 20 0 FCADRL Nc1nc(C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)cs1 ZINC001592761083 1285681941 /nfs/dbraw/zinc/68/19/41/1285681941.db2.gz YFGRGNDEVRDWCL-UHFFFAOYSA-N -2 0 359.331 0.011 20 0 FCADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001593279139 1286062095 /nfs/dbraw/zinc/06/20/95/1286062095.db2.gz SDVDHOKUQGCCJK-UHFFFAOYSA-N -2 0 364.318 0.900 20 0 FCADRL O=S(=O)([N-]CC(F)(F)CO)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001593435000 1286156567 /nfs/dbraw/zinc/15/65/67/1286156567.db2.gz IPUWLWXFGDPDKX-UHFFFAOYSA-N -2 0 355.273 0.051 20 0 FCADRL Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001600155979 1286449303 /nfs/dbraw/zinc/44/93/03/1286449303.db2.gz WEDDJGADCVRBJB-GFCCVEGCSA-N -2 0 350.327 0.252 20 0 FCADRL Cc1cc(C)n2ncc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c2n1 ZINC001600180808 1286451260 /nfs/dbraw/zinc/45/12/60/1286451260.db2.gz VJSWFZJOMCUHQP-UHFFFAOYSA-N -2 0 354.388 0.517 20 0 FCADRL Cc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)[C@H]2C(=O)[O-])ccc1C(=O)[O-] ZINC001600292990 1286469662 /nfs/dbraw/zinc/46/96/62/1286469662.db2.gz BHADYKCTLGJCHK-KWBADKCTSA-N -2 0 357.384 0.944 20 0 FCADRL Cc1cc(S(=O)(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)oc1C(=O)[O-] ZINC001600294709 1286470077 /nfs/dbraw/zinc/47/00/77/1286470077.db2.gz MWDQZPYUBPLGQO-UHFFFAOYSA-N -2 0 372.355 0.670 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N2CCCC2=O)oc1C(=O)[O-] ZINC001600296049 1286471225 /nfs/dbraw/zinc/47/12/25/1286471225.db2.gz HQKCBXRNBORNBY-GFCCVEGCSA-N -2 0 372.399 0.738 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)Cc2cnn(C)c2)oc1C(=O)[O-] ZINC001600295966 1286471243 /nfs/dbraw/zinc/47/12/43/1286471243.db2.gz BKFGRPNGSIPMGS-SECBINFHSA-N -2 0 355.372 0.703 20 0 FCADRL Cc1c([C@H](NS(=O)(=O)c2ccc(C)cc2C(=O)[O-])C(=O)[O-])cnn1C ZINC001600478258 1286493523 /nfs/dbraw/zinc/49/35/23/1286493523.db2.gz HJHLZZOVGFUNTL-ZDUSSCGKSA-N -2 0 367.383 0.839 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(C(C)(C)C(=O)[O-])c2)cc1C(N)=O ZINC001600483672 1286495846 /nfs/dbraw/zinc/49/58/46/1286495846.db2.gz GQFNXCJBTFKBNU-UHFFFAOYSA-N -2 0 366.399 0.911 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)cnn1CC(=O)[O-] ZINC001600483612 1286496136 /nfs/dbraw/zinc/49/61/36/1286496136.db2.gz BZXQZMMBZPPSOE-UHFFFAOYSA-N -2 0 352.372 0.484 20 0 FCADRL Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)n1 ZINC001600484380 1286497608 /nfs/dbraw/zinc/49/76/08/1286497608.db2.gz YWSRJXOGIFMYKT-UHFFFAOYSA-N -2 0 373.412 0.631 20 0 FCADRL Cc1ccn(CC(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c(=O)c1 ZINC001600595715 1286511530 /nfs/dbraw/zinc/51/15/30/1286511530.db2.gz VHIJTYKGLVYWIF-UHFFFAOYSA-N -2 0 356.381 0.422 20 0 FCADRL Cc1cnn(C[C@H](NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C(=O)[O-])c1 ZINC001600636462 1286518068 /nfs/dbraw/zinc/51/80/68/1286518068.db2.gz DWCYMCTYMVUMBH-LBPRGKRZSA-N -2 0 371.346 0.461 20 0 FCADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001600653351 1286520254 /nfs/dbraw/zinc/52/02/54/1286520254.db2.gz XOURLXWDTVQSPM-MRVPVSSYSA-N -2 0 359.385 0.592 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]C[C@H](O)CC(=O)[O-])sc1Br ZINC001600719603 1286532542 /nfs/dbraw/zinc/53/25/42/1286532542.db2.gz UCIVYFHDYTWGIY-RXMQYKEDSA-N -2 0 359.223 0.328 20 0 FCADRL Cc1nn(C)c(C)c1[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)[O-] ZINC001600769379 1286541246 /nfs/dbraw/zinc/54/12/46/1286541246.db2.gz YAIDFDPLLAHMCZ-GFCCVEGCSA-N -2 0 370.387 0.178 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](Cc1ccccn1)C(=O)[O-] ZINC001600835523 1286553080 /nfs/dbraw/zinc/55/30/80/1286553080.db2.gz VLALCMZBTQNBSV-JTQLQIEISA-N -2 0 368.367 0.903 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](Cc1cccnc1)C(=O)[O-] ZINC001600835301 1286553398 /nfs/dbraw/zinc/55/33/98/1286553398.db2.gz RDLGRQTVSJAEPJ-NSHDSACASA-N -2 0 368.367 0.903 20 0 FCADRL Cc1oc(CNC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1C(=O)[O-] ZINC001600846535 1286556982 /nfs/dbraw/zinc/55/69/82/1286556982.db2.gz QOESKGQTUONOBW-SNVBAGLBSA-N -2 0 352.343 0.616 20 0 FCADRL Cc1sc(=O)n(CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])c1C ZINC001600866210 1286559816 /nfs/dbraw/zinc/55/98/16/1286559816.db2.gz JQBUFQSLOFEPMC-MUWHJKNJSA-N -2 0 350.418 0.082 20 0 FCADRL Cn1c(C(=O)[O-])ccc1C(=O)[N-]S(=O)(=O)CCOCc1ccccc1 ZINC001600903478 1286566086 /nfs/dbraw/zinc/56/60/86/1286566086.db2.gz KJTHDJVSDACSDN-UHFFFAOYSA-N -2 0 366.395 1.000 20 0 FCADRL Cn1c(C(=O)[O-])ccc1C(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC001600906828 1286566824 /nfs/dbraw/zinc/56/68/24/1286566824.db2.gz CGKQHLPWDKGSKS-UHFFFAOYSA-N -2 0 363.351 0.902 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)NC[C@]3(C(=O)[O-])CCOC3)cc2[n-]c1=S ZINC001600920490 1286569479 /nfs/dbraw/zinc/56/94/79/1286569479.db2.gz YOBBUDIOSNZKDF-MRXNPFEDSA-N -2 0 363.395 0.443 20 0 FCADRL Cn1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c(-c2ccco2)n1 ZINC001600931788 1286572481 /nfs/dbraw/zinc/57/24/81/1286572481.db2.gz GNXHYDJEPSGHAY-UHFFFAOYSA-N -2 0 355.372 0.851 20 0 FCADRL Cn1cc([C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)C(=O)[O-])cn1 ZINC001600940467 1286575444 /nfs/dbraw/zinc/57/54/44/1286575444.db2.gz MBEPACLWISXSRU-NSHDSACASA-N -2 0 357.319 0.362 20 0 FCADRL Cn1cc(C[C@H](CNS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C(=O)[O-])cn1 ZINC001600947683 1286577661 /nfs/dbraw/zinc/57/76/61/1286577661.db2.gz NJJVOKHBOQROJV-FRRDWIJNSA-N -2 0 373.431 0.226 20 0 FCADRL Cn1cc(C[C@H](CNS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])C(=O)[O-])cn1 ZINC001600947685 1286578029 /nfs/dbraw/zinc/57/80/29/1286578029.db2.gz NJJVOKHBOQROJV-JHJVBQTASA-N -2 0 373.431 0.226 20 0 FCADRL NC(=O)[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001601145393 1286653725 /nfs/dbraw/zinc/65/37/25/1286653725.db2.gz PNUSGSQJJDXGGJ-RYUDHWBXSA-N -2 0 368.411 0.623 20 0 FCADRL O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001601271525 1286710104 /nfs/dbraw/zinc/71/01/04/1286710104.db2.gz FFKWQJOIHHCYCZ-KRWDZBQOSA-N -2 0 360.370 0.724 20 0 FCADRL O=C([O-])c1ccc(CNC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)o1 ZINC001601327205 1286729528 /nfs/dbraw/zinc/72/95/28/1286729528.db2.gz HSEWSXVFHQQZSX-UHFFFAOYSA-N -2 0 374.321 0.851 20 0 FCADRL O=C([O-])c1ccc(CNC(=O)C(=O)N2CCSC[C@@H](C(=O)[O-])C2)cc1 ZINC001601532859 1286780534 /nfs/dbraw/zinc/78/05/34/1286780534.db2.gz OZKSAEDTZIIXQN-LBPRGKRZSA-N -2 0 366.395 0.277 20 0 FCADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC001601804991 1286838859 /nfs/dbraw/zinc/83/88/59/1286838859.db2.gz VJGLVXBCAKLHKQ-UTUOFQBUSA-N -2 0 371.415 0.540 20 0 FCADRL O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001601810661 1286839446 /nfs/dbraw/zinc/83/94/46/1286839446.db2.gz VXCLZDLQAWSEIO-GHMZBOCLSA-N -2 0 358.420 0.663 20 0 FCADRL O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)CCO1 ZINC001601850047 1286850203 /nfs/dbraw/zinc/85/02/03/1286850203.db2.gz LTYZUDYIJSEPCJ-LBPRGKRZSA-N -2 0 355.368 0.277 20 0 FCADRL O=C([O-])C[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C1CC1 ZINC001601901453 1286864340 /nfs/dbraw/zinc/86/43/40/1286864340.db2.gz SEHMOPVHFMWFJO-LLVKDONJSA-N -2 0 362.354 0.613 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccncc1 ZINC001601908440 1286866635 /nfs/dbraw/zinc/86/66/35/1286866635.db2.gz HPKNIUIMJFILHB-LBPRGKRZSA-N -2 0 357.388 0.228 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccccc2)CC1 ZINC001601921708 1286870325 /nfs/dbraw/zinc/87/03/25/1286870325.db2.gz JRYDWSBREDWLKX-STQMWFEESA-N -2 0 357.384 0.348 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2csc(C(=O)[O-])c2)C1 ZINC001601914427 1286871333 /nfs/dbraw/zinc/87/13/33/1286871333.db2.gz ALJGEJBHECHDGA-LBPRGKRZSA-N -3 0 363.369 0.386 20 0 FCADRL O=C([O-])CCCS(=O)(=O)N[C@@H](Cc1ccc2c(c1)OCO2)C(=O)[O-] ZINC001601998985 1286892516 /nfs/dbraw/zinc/89/25/16/1286892516.db2.gz DMPSFRZRWDGJDM-JTQLQIEISA-N -2 0 359.356 0.195 20 0 FCADRL O=C([O-])CCN(CCO)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001602006516 1286894296 /nfs/dbraw/zinc/89/42/96/1286894296.db2.gz FNYNFXWTDDOOCI-UHFFFAOYSA-N -2 0 369.754 0.635 20 0 FCADRL O=C([O-])CCN(CCO)S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001602006565 1286894380 /nfs/dbraw/zinc/89/43/80/1286894380.db2.gz KHRGBQZFRNMJCR-UHFFFAOYSA-N -2 0 367.379 0.996 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)C[C@@H](c1ccccc1)N1CCOC1=O ZINC001602027650 1286908935 /nfs/dbraw/zinc/90/89/35/1286908935.db2.gz IREXOXHEKMAFGH-LBPRGKRZSA-N -2 0 370.383 0.491 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC001602028610 1286909024 /nfs/dbraw/zinc/90/90/24/1286909024.db2.gz WUMXKQKYBSSTEE-GFCCVEGCSA-N -2 0 370.383 0.338 20 0 FCADRL O=C([O-])COC1CCN(S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC001602076355 1286929200 /nfs/dbraw/zinc/92/92/00/1286929200.db2.gz WBVGESAEGUIYMR-UHFFFAOYSA-N -2 0 350.374 0.096 20 0 FCADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2nc3n(n2)CCCC3)cc1 ZINC001602089980 1286931797 /nfs/dbraw/zinc/93/17/97/1286931797.db2.gz VDLFTIWMJHNENP-UHFFFAOYSA-N -2 0 352.372 0.879 20 0 FCADRL O=C([O-])COc1cccc(NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC001602093853 1286932792 /nfs/dbraw/zinc/93/27/92/1286932792.db2.gz QNTQQPBYFKWPCJ-LLVKDONJSA-N -2 0 364.354 0.802 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CC2)cc1F ZINC001602132640 1286943623 /nfs/dbraw/zinc/94/36/23/1286943623.db2.gz XVVWGAZRASUKKU-GFCCVEGCSA-N -3 0 359.331 0.369 20 0 FCADRL O=C([O-])Cc1cccc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)c1 ZINC001602141915 1286946896 /nfs/dbraw/zinc/94/68/96/1286946896.db2.gz AMHXSCUXIWRIDU-UHFFFAOYSA-N -2 0 357.384 0.473 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)N2[C@H](C(=O)[O-])CC[C@H]3CCCC[C@@H]32)cn1 ZINC001602163836 1286954124 /nfs/dbraw/zinc/95/41/24/1286954124.db2.gz SBZPFQVEPHXRER-WXHSDQCUSA-N -2 0 371.415 0.764 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cn1 ZINC001602163813 1286954148 /nfs/dbraw/zinc/95/41/48/1286954148.db2.gz QCBSWJPSLMUVOP-USWWRNFRSA-N -2 0 357.388 0.374 20 0 FCADRL O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC001602202963 1286968462 /nfs/dbraw/zinc/96/84/62/1286968462.db2.gz MOXIAMJGCPWDFI-OIBJUYFYSA-N -2 0 355.290 0.931 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c(F)cc1Cl ZINC001602290742 1286982802 /nfs/dbraw/zinc/98/28/02/1286982802.db2.gz JPSFHQPTWWWZIT-VIFPVBQESA-N -2 0 367.738 0.651 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])c(Br)o1 ZINC001602292829 1286984073 /nfs/dbraw/zinc/98/40/73/1286984073.db2.gz IUKNNKVGWSAQEF-SCSAIBSYSA-N -2 0 374.140 0.831 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cs1 ZINC001602293418 1286984880 /nfs/dbraw/zinc/98/48/80/1286984880.db2.gz QUJXCVKSNGEQGV-JTQLQIEISA-N -2 0 356.381 0.816 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)n[nH]1 ZINC001602293995 1286985635 /nfs/dbraw/zinc/98/56/35/1286985635.db2.gz UENIRRFWEFPAHR-XPUUQOCRSA-N -2 0 357.310 0.886 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CC[C@@H]2COc3ccccc3O2)on1 ZINC001602295288 1286986956 /nfs/dbraw/zinc/98/69/56/1286986956.db2.gz FBKQMAZDCFNQAN-SECBINFHSA-N -2 0 354.340 0.881 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])cn1 ZINC001602395963 1286994546 /nfs/dbraw/zinc/99/45/46/1286994546.db2.gz KCWFUDYARCFICK-LBPRGKRZSA-N -2 0 358.372 0.328 20 0 FCADRL O=C([O-])c1ccc2c(c1)OCCN(C(=O)c1c[n-]n3c1nccc3=O)C2 ZINC001602428331 1287000984 /nfs/dbraw/zinc/00/09/84/1287000984.db2.gz NLNDWIDJDMLANR-UHFFFAOYSA-N -2 0 354.322 0.756 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)N2C[C@H](C(=O)[O-])[C@@]3(CCOC3)C2)c1 ZINC001602439775 1287002760 /nfs/dbraw/zinc/00/27/60/1287002760.db2.gz JEGJDPTYDAKNLL-CJNGLKHVSA-N -2 0 369.395 0.638 20 0 FCADRL O=C([O-])c1cn([C@H]2CCCN(C(=O)c3nc4ccccc4c(=O)[nH]3)C2)nn1 ZINC001602495794 1287013557 /nfs/dbraw/zinc/01/35/57/1287013557.db2.gz VDROAQYRAZMILE-JTQLQIEISA-N -2 0 368.353 0.690 20 0 FCADRL O=C([O-])c1cncc(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c1 ZINC001602535319 1287021779 /nfs/dbraw/zinc/02/17/79/1287021779.db2.gz CCGZONDPZMPMID-LLVKDONJSA-N -2 0 366.355 0.056 20 0 FCADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2ccnn2C[C@@H]2CCOC2)c1 ZINC001602543785 1287024578 /nfs/dbraw/zinc/02/45/78/1287024578.db2.gz SXVPGLJWPMMUNT-JTQLQIEISA-N -2 0 352.372 0.814 20 0 FCADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2cnn(C[C@@H]3CCCO3)c2)c1 ZINC001602543887 1287024603 /nfs/dbraw/zinc/02/46/03/1287024603.db2.gz YHVMWOXLUSZYJG-LBPRGKRZSA-N -2 0 352.372 0.956 20 0 FCADRL CC(=O)N(C)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC001603004926 1287177892 /nfs/dbraw/zinc/17/78/92/1287177892.db2.gz HRPMCWBPGQNARH-ZJUUUORDSA-N -2 0 356.400 0.838 20 0 FCADRL CC(=O)N(C)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])cc1 ZINC001603004921 1287178414 /nfs/dbraw/zinc/17/84/14/1287178414.db2.gz HRPMCWBPGQNARH-UWVGGRQHSA-N -2 0 356.400 0.838 20 0 FCADRL CC(=O)N1CCC(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001603013871 1287183969 /nfs/dbraw/zinc/18/39/69/1287183969.db2.gz SHNALDWHIFZINV-UHFFFAOYSA-N -2 0 368.411 0.589 20 0 FCADRL CC(=O)N1CCC(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CC1 ZINC001603013208 1287184465 /nfs/dbraw/zinc/18/44/65/1287184465.db2.gz IKZUGIQQPBKRNC-UHFFFAOYSA-N -2 0 360.413 0.510 20 0 FCADRL CC(=O)NCCN(CC(=O)Nc1ccccc1C(=O)[O-])[C@H](C)C(=O)[O-] ZINC001603047516 1287196900 /nfs/dbraw/zinc/19/69/00/1287196900.db2.gz AYCLGKROPKQFKZ-SNVBAGLBSA-N -2 0 351.359 0.235 20 0 FCADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001603048309 1287196930 /nfs/dbraw/zinc/19/69/30/1287196930.db2.gz CGMDRSWPDSLXEW-SECBINFHSA-N -2 0 369.403 0.971 20 0 FCADRL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)cn1C ZINC001604967479 1287823509 /nfs/dbraw/zinc/82/35/09/1287823509.db2.gz HEGAQAOEPGRUMZ-UHFFFAOYSA-N -2 0 352.332 0.386 20 0 FCADRL CCCn1cc(C(=O)[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)nn1 ZINC001605390051 1287948034 /nfs/dbraw/zinc/94/80/34/1287948034.db2.gz QUKADFAZXFPHEV-UHFFFAOYSA-N -2 0 370.362 0.573 20 0 FCADRL CCOC(=O)Cn1ccc([N-]S(=O)(=O)c2cccnc2C(=O)[O-])n1 ZINC001605543364 1287993521 /nfs/dbraw/zinc/99/35/21/1287993521.db2.gz HYQQYDSNZRLPPW-UHFFFAOYSA-N -2 0 354.344 0.340 20 0 FCADRL Cc1cnn(CCC(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)c1 ZINC001609441665 1289152645 /nfs/dbraw/zinc/15/26/45/1289152645.db2.gz OFKALJZPKDBNEO-UHFFFAOYSA-N -2 0 369.345 0.253 20 0 FCADRL CCc1ccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])CC2=O)cc1 ZINC001605816422 1288093635 /nfs/dbraw/zinc/09/36/35/1288093635.db2.gz ORTDPEBSSVYWSX-JQWIXIFHSA-N -2 0 368.411 0.521 20 0 FCADRL Cn1nccc1CCC(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001606282152 1288250936 /nfs/dbraw/zinc/25/09/36/1288250936.db2.gz RDYAOTOPSFQJRX-UHFFFAOYSA-N -2 0 369.345 0.025 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])c1cccs1 ZINC001606341174 1288264218 /nfs/dbraw/zinc/26/42/18/1288264218.db2.gz CMLBWGBCPXFKAG-SECBINFHSA-N -2 0 359.385 0.670 20 0 FCADRL COC(=O)C1(NS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CCSCC1 ZINC001606354810 1288270594 /nfs/dbraw/zinc/27/05/94/1288270594.db2.gz VWWVKHGDCRZADZ-WDEREUQCSA-N -2 0 365.473 0.988 20 0 FCADRL COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC001606510240 1288353255 /nfs/dbraw/zinc/35/32/55/1288353255.db2.gz DNNMMGAFOIBXJM-QWHCGFSZSA-N -2 0 369.395 0.920 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NCC2(C(=O)[O-])CC2)c1 ZINC001606531646 1288366256 /nfs/dbraw/zinc/36/62/56/1288366256.db2.gz OWCSNODJTIHOKO-UHFFFAOYSA-N -2 0 357.340 0.315 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NC2([C@H](C)C(=O)[O-])CC2)c1 ZINC001606532191 1288367071 /nfs/dbraw/zinc/36/70/71/1288367071.db2.gz ZDWQWKLZMZTTMM-MRVPVSSYSA-N -2 0 371.367 0.703 20 0 FCADRL COC(=O)c1cc(NC(=O)C(=O)[N-]OC/C=C\Cl)ccc1C(=O)[O-] ZINC001606548054 1288376868 /nfs/dbraw/zinc/37/68/68/1288376868.db2.gz HCUUUMZXLCETLE-DJWKRKHSSA-N -2 0 356.718 0.910 20 0 FCADRL COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])o1 ZINC001606644844 1288422325 /nfs/dbraw/zinc/42/23/25/1288422325.db2.gz YBVMZONXGJLKFH-UHFFFAOYSA-N -2 0 359.337 0.945 20 0 FCADRL COC1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC001606706971 1288459653 /nfs/dbraw/zinc/45/96/53/1288459653.db2.gz SZUIBEHDWWOQCX-UHFFFAOYSA-N -2 0 357.384 0.568 20 0 FCADRL COC1(C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])oc2C)C(=O)[O-])CCC1 ZINC001606714495 1288463746 /nfs/dbraw/zinc/46/37/46/1288463746.db2.gz LWWYEPBRCVESMZ-VIFPVBQESA-N -2 0 361.372 0.977 20 0 FCADRL COC1(C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C(=O)[O-])CCC1 ZINC001606714753 1288464203 /nfs/dbraw/zinc/46/42/03/1288464203.db2.gz QUFSCXCWNXPDMF-JTQLQIEISA-N -2 0 361.372 0.977 20 0 FCADRL CO[C@@H]1CN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])[C@@](C)(C(=O)[O-])C1 ZINC001606770698 1288504285 /nfs/dbraw/zinc/50/42/85/1288504285.db2.gz LTESTTKPAZACGF-RMLUDKJBSA-N -2 0 361.347 0.777 20 0 FCADRL CO[C@H]1CN(S(=O)(=O)c2scnc2C(=O)[O-])[C@@](C)(C(=O)[O-])C1 ZINC001606770683 1288504722 /nfs/dbraw/zinc/50/47/22/1288504722.db2.gz LSUVXEVNDVNSON-KSBSHMNSSA-N -2 0 350.374 0.094 20 0 FCADRL COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(OC)c2)C1 ZINC001606834035 1288534632 /nfs/dbraw/zinc/53/46/32/1288534632.db2.gz HBPFXKURDUJAGW-OAHLLOKOSA-N -2 0 373.383 0.505 20 0 FCADRL COCCCOc1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cn1 ZINC001606872654 1288544506 /nfs/dbraw/zinc/54/45/06/1288544506.db2.gz SEWMKSIBTPYIPE-UHFFFAOYSA-N -2 0 374.415 0.667 20 0 FCADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC001606943003 1288571172 /nfs/dbraw/zinc/57/11/72/1288571172.db2.gz XWOUKYBJKDOSKR-GWCFXTLKSA-N -2 0 373.383 0.299 20 0 FCADRL COc1cc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cnc1Br ZINC001607084903 1288652315 /nfs/dbraw/zinc/65/23/15/1288652315.db2.gz BEDFLPMDICCGEF-UHFFFAOYSA-N -2 0 367.177 0.387 20 0 FCADRL COc1cc(NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001607171917 1288678562 /nfs/dbraw/zinc/67/85/62/1288678562.db2.gz ZCGGARZRFGDTFD-ZJUUUORDSA-N -2 0 364.354 0.901 20 0 FCADRL COc1cc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001607175272 1288679458 /nfs/dbraw/zinc/67/94/58/1288679458.db2.gz NDPZTVRNAPGMDU-JDNHERCYSA-N -2 0 350.327 0.958 20 0 FCADRL COc1ccc(CCS(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001607252477 1288687954 /nfs/dbraw/zinc/68/79/54/1288687954.db2.gz UNQBLDOTFRWEAR-UHFFFAOYSA-N -2 0 354.340 0.684 20 0 FCADRL COc1ccc(S(=O)(=O)N(C)CCCC(=O)[O-])c(OC)c1C(=O)[O-] ZINC001607284563 1288692983 /nfs/dbraw/zinc/69/29/83/1288692983.db2.gz JPUZZPPXFLRSQC-UHFFFAOYSA-N -2 0 361.372 0.887 20 0 FCADRL COc1ccc(S(=O)(=O)N2[C@@H](C)SC[C@H]2C(=O)[O-])cc1C(=O)[O-] ZINC001607284543 1288693069 /nfs/dbraw/zinc/69/30/69/1288693069.db2.gz HIMDISCPLHYZHE-XCBNKYQSSA-N -2 0 361.397 0.930 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)C2(OC)CCC2)c(CC(=O)[O-])c1 ZINC001607286292 1288694214 /nfs/dbraw/zinc/69/42/14/1288694214.db2.gz YRRAAGAFQKVNTF-UHFFFAOYSA-N -2 0 357.384 0.696 20 0 FCADRL COc1cn(-c2ccccc2)nc1C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001607352481 1288700301 /nfs/dbraw/zinc/70/03/01/1288700301.db2.gz MTXRSRRQQBELTJ-SECBINFHSA-N -2 0 353.356 0.414 20 0 FCADRL CSCCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001607398563 1288704590 /nfs/dbraw/zinc/70/45/90/1288704590.db2.gz XGYFGEMPEZVIKV-UHFFFAOYSA-N -2 0 351.377 0.962 20 0 FCADRL Cc1cc2nc(C)cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])n2n1 ZINC001607580021 1288727595 /nfs/dbraw/zinc/72/75/95/1288727595.db2.gz OEUPKOVICMQILS-NXEZZACHSA-N -2 0 354.388 0.515 20 0 FCADRL Cc1cccc(S(=O)(=O)N[C@@H](Cc2ncccn2)C(=O)[O-])c1C(=O)[O-] ZINC001607862033 1288741418 /nfs/dbraw/zinc/74/14/18/1288741418.db2.gz LJVJVWXMSKIQKT-JTQLQIEISA-N -2 0 365.367 0.457 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)N2c3ccccc3C[C@H]2C(=O)[O-])c1C(=O)[O-] ZINC001607939705 1288750223 /nfs/dbraw/zinc/75/02/23/1288750223.db2.gz FHJPWMYYUCCJDL-JTQLQIEISA-N -2 0 351.340 0.621 20 0 FCADRL Cc1nc(CCNS(=O)(=O)c2cc(C(=O)[O-])co2)sc1C(=O)[O-] ZINC001607954464 1288750333 /nfs/dbraw/zinc/75/03/33/1288750333.db2.gz KGWIMOWOMLKSGI-UHFFFAOYSA-N -2 0 360.369 0.962 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-])c(Br)n1C ZINC001607967897 1288753081 /nfs/dbraw/zinc/75/30/81/1288753081.db2.gz KSUZPBYAAQZBKM-YFKPBYRVSA-N -2 0 368.209 0.407 20 0 FCADRL Cn1cc(C[C@@H](CNS(=O)(=O)c2ccc(C(=O)[O-])s2)C(=O)[O-])cn1 ZINC001608111018 1288770887 /nfs/dbraw/zinc/77/08/87/1288770887.db2.gz QNOLEWOIGWNEJN-VIFPVBQESA-N -2 0 373.412 0.402 20 0 FCADRL Cn1cc(C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)C(=O)[O-])cn1 ZINC001608111313 1288772006 /nfs/dbraw/zinc/77/20/06/1288772006.db2.gz ZGQCUCFKZWZGGV-LLVKDONJSA-N -2 0 371.346 0.232 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)C[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC001608234943 1288798199 /nfs/dbraw/zinc/79/81/99/1288798199.db2.gz QVRGCOMPSVJERR-GFCCVEGCSA-N -2 0 366.399 0.369 20 0 FCADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C(=O)C[C@H]2COC(=O)C2)c1F ZINC001608296037 1288814514 /nfs/dbraw/zinc/81/45/14/1288814514.db2.gz APVWUKCFUFEAJB-ZCFIWIBFSA-N -2 0 363.294 0.421 20 0 FCADRL O=C([O-])c1cnn(CC(=O)[N-]S(=O)(=O)N2CCc3ccccc32)c1 ZINC001608375623 1288832372 /nfs/dbraw/zinc/83/23/72/1288832372.db2.gz CONBSJIBKYGIAK-UHFFFAOYSA-N -2 0 350.356 0.005 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)c2cnc3n2CCCCC3)CC1 ZINC001608484602 1288848852 /nfs/dbraw/zinc/84/88/52/1288848852.db2.gz DLALUYRSMRVXAV-UHFFFAOYSA-N -2 0 370.431 0.381 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)[C@@H](F)Cc2ccccc2)CC1 ZINC001608484951 1288849204 /nfs/dbraw/zinc/84/92/04/1288849204.db2.gz VYVSIQNGUQWCGJ-ZDUSSCGKSA-N -2 0 358.391 0.725 20 0 FCADRL O=C([O-])C12CC(C(=O)[N-]S(=O)(=O)Cc3ccc4c(c3)COC4)(C1)C2 ZINC001608582627 1288858185 /nfs/dbraw/zinc/85/81/85/1288858185.db2.gz OLHBUZYOQMWOGP-UHFFFAOYSA-N -2 0 351.380 0.918 20 0 FCADRL O=C([O-])[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)c2ccc(F)cc2O1 ZINC001608643030 1288861371 /nfs/dbraw/zinc/86/13/71/1288861371.db2.gz NLUWVUHQBLIHSC-VIFPVBQESA-N -2 0 354.319 0.620 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cc(Br)c[nH]c1=O ZINC001608718511 1288868996 /nfs/dbraw/zinc/86/89/96/1288868996.db2.gz YOAXQSZTTIPQTK-UHFFFAOYSA-N -2 0 367.177 0.474 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CCSC[C@H](C(=O)[O-])C2)ccc1F ZINC001608858925 1288876921 /nfs/dbraw/zinc/87/69/21/1288876921.db2.gz PYSQQDDPMSAQAK-MRVPVSSYSA-N -2 0 363.388 0.962 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CCc3onc(C(=O)[O-])c3C2)s1 ZINC001608910102 1288878200 /nfs/dbraw/zinc/87/82/00/1288878200.db2.gz WXEVJSULSLPQGH-UHFFFAOYSA-N -2 0 358.353 0.880 20 0 FCADRL CCN1CCCC[C@H]1C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001609227368 1288999724 /nfs/dbraw/zinc/99/97/24/1288999724.db2.gz QVWAYOCMNBAFMD-LBPRGKRZSA-N -2 0 372.389 0.533 20 0 FCADRL CC(=O)CCc1ccc(O[C@H](C)C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1 ZINC001609569996 1289232168 /nfs/dbraw/zinc/23/21/68/1289232168.db2.gz KVOFBRFXUYEWNF-LLVKDONJSA-N -2 0 357.384 0.506 20 0 FCADRL O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001609580994 1289237949 /nfs/dbraw/zinc/23/79/49/1289237949.db2.gz KEFOOFULFXPNHV-VIFPVBQESA-N -2 0 356.346 0.416 20 0 FCADRL CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001609591034 1289248535 /nfs/dbraw/zinc/24/85/35/1289248535.db2.gz DPHOLIYYBXOIPK-GFCCVEGCSA-N -2 0 369.399 0.416 20 0 FCADRL CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)C(C)(C)C ZINC001609623181 1289266393 /nfs/dbraw/zinc/26/63/93/1289266393.db2.gz NBNREMDWJIKODF-GFCCVEGCSA-N -2 0 356.400 0.741 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(-n2cccn2)n1 ZINC001609638582 1289269863 /nfs/dbraw/zinc/26/98/63/1289269863.db2.gz IERGFCGJCSPDGY-NXEZZACHSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CCCNC(=O)c1ccccc1 ZINC001609638185 1289270254 /nfs/dbraw/zinc/27/02/54/1289270254.db2.gz BQSYZDDMNAMANM-NWDGAFQWSA-N -2 0 370.427 0.752 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2nccnc2cc1F ZINC001609638920 1289270690 /nfs/dbraw/zinc/27/06/90/1289270690.db2.gz OGDFVNNATUCLDY-SFYZADRCSA-N -2 0 355.347 0.938 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)c1ccsc1 ZINC001609639473 1289270924 /nfs/dbraw/zinc/27/09/24/1289270924.db2.gz YDGVUYLNAVHRLF-DTWKUNHWSA-N -2 0 362.429 0.423 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC001609642218 1289271527 /nfs/dbraw/zinc/27/15/27/1289271527.db2.gz IQVDOONUWRHTBV-LDYMZIIASA-N -2 0 358.347 0.098 20 0 FCADRL CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001609690452 1289280112 /nfs/dbraw/zinc/28/01/12/1289280112.db2.gz FEHXSIHFWPCFLC-UHFFFAOYSA-N -2 0 363.417 0.199 20 0 FCADRL CC(C)C[C@H](CNC(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)C(=O)[O-] ZINC001609692037 1289280726 /nfs/dbraw/zinc/28/07/26/1289280726.db2.gz ALZHTGMRPNOIGR-NEPJUHHUSA-N -2 0 354.403 0.563 20 0 FCADRL CC(C)CN1N=C(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])CCC1=O ZINC001609699484 1289281395 /nfs/dbraw/zinc/28/13/95/1289281395.db2.gz NBCHYNQOVKCKSG-ZJUUUORDSA-N -2 0 361.420 0.176 20 0 FCADRL C[C@@H](CSCCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)[O-] ZINC001609749392 1289289426 /nfs/dbraw/zinc/28/94/26/1289289426.db2.gz IGHSQLLYQSRTOK-QMMMGPOBSA-N -2 0 350.418 0.456 20 0 FCADRL C[C@@H](CS(=O)(=O)N[C@H](CCC(=O)c1ccccc1)C(=O)[O-])C(=O)[O-] ZINC001609750937 1289290149 /nfs/dbraw/zinc/29/01/49/1289290149.db2.gz TZMFAWJAEMPEFX-CMPLNLGQSA-N -2 0 357.384 0.743 20 0 FCADRL C[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001609763559 1289293951 /nfs/dbraw/zinc/29/39/51/1289293951.db2.gz PWZSMIAQAUMRCM-WCQYABFASA-N -2 0 369.381 0.519 20 0 FCADRL C[C@@H](NC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC001609775538 1289296461 /nfs/dbraw/zinc/29/64/61/1289296461.db2.gz YTAGXYRBVROQNS-MRVPVSSYSA-N -2 0 370.362 0.563 20 0 FCADRL C[C@@](O)(CNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C(=O)[O-] ZINC001609784128 1289296903 /nfs/dbraw/zinc/29/69/03/1289296903.db2.gz ANMAPSVAFKSIMK-MRXNPFEDSA-N -2 0 351.359 0.942 20 0 FCADRL C[C@@H](OCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1nccn1C ZINC001609800259 1289301274 /nfs/dbraw/zinc/30/12/74/1289301274.db2.gz QVEXAFVJMSFVAX-MRVPVSSYSA-N -2 0 373.412 0.763 20 0 FCADRL CC[C@H](C)OCC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001609910673 1289327061 /nfs/dbraw/zinc/32/70/61/1289327061.db2.gz NOYXRECQKMHJHJ-JTQLQIEISA-N -2 0 359.400 0.942 20 0 FCADRL CCCS(=O)(=O)[N-]C(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C ZINC001609981656 1289336754 /nfs/dbraw/zinc/33/67/54/1289336754.db2.gz OXWLVGVOEOAANC-SECBINFHSA-N -2 0 352.409 0.601 20 0 FCADRL CCO[C@H]1C[C@@](NS(=O)(=O)CC(C)(C)C(=O)[O-])(C(=O)[O-])C1(C)C ZINC001610031814 1289352877 /nfs/dbraw/zinc/35/28/77/1289352877.db2.gz PNBGDEBOJFYWHW-LKFCYVNXSA-N -2 0 351.421 0.675 20 0 FCADRL CCOCCN(C[C@H](C)C(=O)[O-])S(=O)(=O)c1csnc1C(=O)[O-] ZINC001610036382 1289355074 /nfs/dbraw/zinc/35/50/74/1289355074.db2.gz VMMXXNUGUXPFFF-QMMMGPOBSA-N -2 0 366.417 0.589 20 0 FCADRL CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001610052565 1289358530 /nfs/dbraw/zinc/35/85/30/1289358530.db2.gz CNEWMLDGMTYLRA-MADCSZMMSA-N -2 0 360.388 0.642 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@H](CC(=O)[O-])C2CC2)c1 ZINC001610103391 1289373593 /nfs/dbraw/zinc/37/35/93/1289373593.db2.gz NOOFVRJAPKBKQS-GFCCVEGCSA-N -2 0 356.400 0.626 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N(C)[C@H](C(=O)[O-])c1ccc(F)cc1F ZINC001610115930 1289378593 /nfs/dbraw/zinc/37/85/93/1289378593.db2.gz ZVLQEBJFCDIWTJ-LBPRGKRZSA-N -2 0 366.342 0.674 20 0 FCADRL CN1C(=O)CCc2cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])ccc21 ZINC001610127408 1289383182 /nfs/dbraw/zinc/38/31/82/1289383182.db2.gz GVYVNVRZNKMYDK-UHFFFAOYSA-N -2 0 354.384 0.520 20 0 FCADRL CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001610141226 1289394491 /nfs/dbraw/zinc/39/44/91/1289394491.db2.gz IZPDTBILBMLOGU-UHFFFAOYSA-N -2 0 352.372 0.885 20 0 FCADRL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC001610144758 1289397295 /nfs/dbraw/zinc/39/72/95/1289397295.db2.gz CEYCPYRMLAZWER-UHFFFAOYSA-N -2 0 351.340 0.191 20 0 FCADRL COC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC001610158526 1289401716 /nfs/dbraw/zinc/40/17/16/1289401716.db2.gz KNIMAFYMWNTORX-UHFFFAOYSA-N -2 0 363.294 0.421 20 0 FCADRL COC(=O)CC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1)C(=O)[O-] ZINC001610182961 1289414250 /nfs/dbraw/zinc/41/42/50/1289414250.db2.gz VRFMXQUYTHAUFM-SNVBAGLBSA-N -2 0 363.319 0.209 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC)n1 ZINC001610186289 1289415626 /nfs/dbraw/zinc/41/56/26/1289415626.db2.gz IUEDHZZLDWEIGV-UHFFFAOYSA-N -2 0 369.355 0.564 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])c(F)c2)cn1 ZINC001610187880 1289416261 /nfs/dbraw/zinc/41/62/61/1289416261.db2.gz UGWDDTCCBZDLNO-UHFFFAOYSA-N -2 0 371.346 0.623 20 0 FCADRL COC(=O)c1sc(S(=O)(=O)NC[C@@H](F)C(=O)[O-])c(C(=O)[O-])c1C ZINC001610221477 1289430525 /nfs/dbraw/zinc/43/05/25/1289430525.db2.gz OALPLKKIBBRTHO-RXMQYKEDSA-N -2 0 369.348 0.242 20 0 FCADRL CO[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)c1cnn(C)c1 ZINC001610221853 1289430661 /nfs/dbraw/zinc/43/06/61/1289430661.db2.gz NDSSWXVKGNVZBF-NSHDSACASA-N -2 0 357.344 0.212 20 0 FCADRL COC[C@@](C)([N-]S(=O)(=O)CC1(C(=O)[O-])CCCCC1)C(=O)OC ZINC001610243567 1289435836 /nfs/dbraw/zinc/43/58/36/1289435836.db2.gz HSRAUOLNFQYZRX-CYBMUJFWSA-N -2 0 351.421 0.519 20 0 FCADRL COCCCOCC(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001610257434 1289439752 /nfs/dbraw/zinc/43/97/52/1289439752.db2.gz VELTWYGBCACLRK-UHFFFAOYSA-N -2 0 363.363 0.311 20 0 FCADRL COCCCOc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])cn1 ZINC001610257147 1289439926 /nfs/dbraw/zinc/43/99/26/1289439926.db2.gz XTWSVVJKBMQDIE-WDEREUQCSA-N -2 0 374.415 0.666 20 0 FCADRL COc1cc(Br)ccc1C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001610280152 1289449985 /nfs/dbraw/zinc/44/99/85/1289449985.db2.gz YMKJOXUUOOZBMG-LURJTMIESA-N -2 0 366.189 0.990 20 0 FCADRL COc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001610298182 1289454698 /nfs/dbraw/zinc/45/46/98/1289454698.db2.gz GRQLJNPSAGHKLF-BXKDBHETSA-N -2 0 364.354 0.901 20 0 FCADRL COc1ccc(Br)c(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c1 ZINC001610311668 1289457771 /nfs/dbraw/zinc/45/77/71/1289457771.db2.gz IUUVQONURWLBJA-ZCFIWIBFSA-N -2 0 366.189 0.990 20 0 FCADRL COc1ccc(C(C)(C)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1OC ZINC001610317229 1289458907 /nfs/dbraw/zinc/45/89/07/1289458907.db2.gz LBSRNWKDLSKXQE-SECBINFHSA-N -2 0 359.400 0.901 20 0 FCADRL COc1ccc(COCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])cc1 ZINC001610336037 1289462552 /nfs/dbraw/zinc/46/25/52/1289462552.db2.gz BYGSCBPELYLJEX-QWRGUYRKSA-N -2 0 359.400 0.767 20 0 FCADRL COc1ccc(COCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC001610336036 1289462703 /nfs/dbraw/zinc/46/27/03/1289462703.db2.gz BYGSCBPELYLJEX-MNOVXSKESA-N -2 0 359.400 0.767 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc1C(N)=O ZINC001610371012 1289470828 /nfs/dbraw/zinc/47/08/28/1289470828.db2.gz LPJQVDFVWDJYKF-UHFFFAOYSA-N -2 0 369.330 0.827 20 0 FCADRL C[C@H](C(=O)[O-])N(C)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC001610393884 1289478973 /nfs/dbraw/zinc/47/89/73/1289478973.db2.gz OIJJSFLWFZURKL-SNVBAGLBSA-N -2 0 356.400 0.722 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cnn1C(C)(C)C ZINC001610408014 1289480586 /nfs/dbraw/zinc/48/05/86/1289480586.db2.gz WBUFDCCWJLFVJU-UHFFFAOYSA-N -2 0 372.447 0.718 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cnn1-c1ccccc1F ZINC001610407731 1289481272 /nfs/dbraw/zinc/48/12/72/1289481272.db2.gz OBOICVJOPVYELN-UHFFFAOYSA-N -2 0 355.347 0.854 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cnn1CC(=O)[O-] ZINC001610427502 1289486535 /nfs/dbraw/zinc/48/65/35/1289486535.db2.gz WVJBDBLELOKZSJ-UHFFFAOYSA-N -2 0 351.344 0.659 20 0 FCADRL Cc1cc(C)n(-c2ccc(Cl)c(C(=O)[N-]S(=O)(=O)CC(=O)[O-])n2)n1 ZINC001610458397 1289489008 /nfs/dbraw/zinc/48/90/08/1289489008.db2.gz CTZDGWYUZCUBFV-UHFFFAOYSA-N -2 0 372.790 0.682 20 0 FCADRL Cc1ccc(CN2C[C@@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])CC2=O)cc1 ZINC001610500342 1289496338 /nfs/dbraw/zinc/49/63/38/1289496338.db2.gz GRNQYQRBHYLDSK-ZDUSSCGKSA-N -2 0 368.411 0.264 20 0 FCADRL Cc1ccc(N(CCC(=O)[O-])S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC001610506480 1289497227 /nfs/dbraw/zinc/49/72/27/1289497227.db2.gz WXAOSCSONPRSGY-UHFFFAOYSA-N -2 0 367.383 0.946 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cc1C(=O)[O-] ZINC001610512596 1289498688 /nfs/dbraw/zinc/49/86/88/1289498688.db2.gz AFUNNEBASFSKKZ-HNNXBMFYSA-N -3 0 371.367 0.633 20 0 FCADRL Cc1cccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)c1C(=O)[O-] ZINC001610526039 1289502313 /nfs/dbraw/zinc/50/23/13/1289502313.db2.gz VIQFSMGAPXXMBP-GFCCVEGCSA-N -2 0 353.356 0.531 20 0 FCADRL Cc1cccc(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)c1C(=O)[O-] ZINC001610525387 1289502402 /nfs/dbraw/zinc/50/24/02/1289502402.db2.gz VYCLQWYAYUBDBC-ZWNOBZJWSA-N -2 0 357.384 0.539 20 0 FCADRL Cc1nc(CCNS(=O)(=O)CC2(C(=O)[O-])CCC2)sc1C(=O)[O-] ZINC001610554671 1289508068 /nfs/dbraw/zinc/50/80/68/1289508068.db2.gz MLNVGIWYNVHQTP-UHFFFAOYSA-N -2 0 362.429 0.867 20 0 FCADRL Cc1nc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)n(-c2ccccc2)n1 ZINC001610558293 1289509191 /nfs/dbraw/zinc/50/91/91/1289509191.db2.gz GPDHGBQWRZVWSX-UHFFFAOYSA-N -2 0 359.367 0.892 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)c1ccnc(N(C)C)c1 ZINC001610580802 1289516974 /nfs/dbraw/zinc/51/69/74/1289516974.db2.gz GHFUNWFQFCPVBV-UHFFFAOYSA-N -2 0 353.356 0.866 20 0 FCADRL Cn1cc(-c2nn(C)cc2[N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cn1 ZINC001610599504 1289522438 /nfs/dbraw/zinc/52/24/38/1289522438.db2.gz MOZHLOSXUHHPDC-UHFFFAOYSA-N -2 0 364.387 0.658 20 0 FCADRL Cn1cc(-c2nn(C)cc2[N-]S(=O)(=O)c2scnc2C(=O)[O-])cn1 ZINC001610599151 1289523080 /nfs/dbraw/zinc/52/30/80/1289523080.db2.gz ISZHYUAZXGODSE-UHFFFAOYSA-N -2 0 368.400 0.776 20 0 FCADRL Cn1cc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])c(C2CC2)n1 ZINC001610600280 1289523149 /nfs/dbraw/zinc/52/31/49/1289523149.db2.gz DWSSJBYMKBRUJZ-UHFFFAOYSA-N -2 0 356.385 0.571 20 0 FCADRL Cn1ccc2ccc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)cc2c1=O ZINC001610609252 1289526615 /nfs/dbraw/zinc/52/66/15/1289526615.db2.gz GAMJJFZNIQOOPB-UHFFFAOYSA-N -2 0 362.367 0.620 20 0 FCADRL Cn1cnc(S(=O)(=O)[N-]C(=O)c2cccc(CC(=O)[O-])c2)c1Cl ZINC001610611407 1289527845 /nfs/dbraw/zinc/52/78/45/1289527845.db2.gz SFGBLDYSNWHSSV-UHFFFAOYSA-N -2 0 357.775 0.819 20 0 FCADRL NC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cn1 ZINC001610641538 1289538795 /nfs/dbraw/zinc/53/87/95/1289538795.db2.gz WFUMQBFHRHUROT-UHFFFAOYSA-N -2 0 357.294 0.958 20 0 FCADRL O=C([O-])c1sc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)nc1C1CC1 ZINC001610676817 1289548641 /nfs/dbraw/zinc/54/86/41/1289548641.db2.gz DDTOWKJTDFBMRV-UHFFFAOYSA-N -2 0 360.355 0.742 20 0 FCADRL O=C([O-])[C@@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC001610744879 1289576099 /nfs/dbraw/zinc/57/60/99/1289576099.db2.gz CZGKMAHBYWSBJV-ZDUSSCGKSA-N -2 0 356.400 0.486 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CCc3ccccc3O2)CC1 ZINC001610744899 1289576171 /nfs/dbraw/zinc/57/61/71/1289576171.db2.gz FPMDQPIXJXPLFC-CQSZACIVSA-N -2 0 368.411 0.538 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)C1 ZINC001610753011 1289578380 /nfs/dbraw/zinc/57/83/80/1289578380.db2.gz KUFHYRAWLXALQY-AWEZNQCLSA-N -3 0 363.388 0.213 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 ZINC001610775275 1289587788 /nfs/dbraw/zinc/58/77/88/1289587788.db2.gz MSSGSLGHHDICAN-CYBMUJFWSA-N -2 0 368.411 0.141 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)c1ccn(CCc2ccccc2)n1 ZINC001610775333 1289587862 /nfs/dbraw/zinc/58/78/62/1289587862.db2.gz RCNFEBDCKVGDLT-UHFFFAOYSA-N -2 0 351.384 0.660 20 0 FCADRL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N3CC([C@H]4CCOC4)C3)cc2)[nH]1 ZINC001610791600 1289594106 /nfs/dbraw/zinc/59/41/06/1289594106.db2.gz JAUMQRLOJQGWHI-ZDUSSCGKSA-N -2 0 371.393 0.901 20 0 FCADRL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N3CC([C@@H]4CCOC4)C3)cc2)[nH]1 ZINC001610791598 1289594712 /nfs/dbraw/zinc/59/47/12/1289594712.db2.gz JAUMQRLOJQGWHI-CYBMUJFWSA-N -2 0 371.393 0.901 20 0 FCADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCO3)n1 ZINC001610801281 1289597931 /nfs/dbraw/zinc/59/79/31/1289597931.db2.gz SMICIXPFYZUWAR-UHFFFAOYSA-N -2 0 351.340 0.734 20 0 FCADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)[nH]1 ZINC001610822511 1289600598 /nfs/dbraw/zinc/60/05/98/1289600598.db2.gz MLJLBYSIWFIMPG-UHFFFAOYSA-N -2 0 352.324 0.603 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@]3(CCOC3)C2)cs1 ZINC001610816240 1289601175 /nfs/dbraw/zinc/60/11/75/1289601175.db2.gz ZAAUQGRFGIWUIZ-NOZJJQNGSA-N -2 0 361.397 0.558 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1 ZINC001610829795 1289602211 /nfs/dbraw/zinc/60/22/11/1289602211.db2.gz LZYOHBOIGNBCEX-LBPRGKRZSA-N -2 0 353.356 0.223 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@]23CCC(=O)N2CCS3)c1 ZINC001610849751 1289606231 /nfs/dbraw/zinc/60/62/31/1289606231.db2.gz IMDXVNRHUUKAFS-CQSZACIVSA-N -2 0 370.408 0.255 20 0 FCADRL O=C([O-])c1ccccc1CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001610852190 1289606337 /nfs/dbraw/zinc/60/63/37/1289606337.db2.gz RZFLLJLGRWQZNG-UHFFFAOYSA-N -2 0 356.400 0.558 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001610871637 1289614538 /nfs/dbraw/zinc/61/45/38/1289614538.db2.gz QTMPICYELSKZRL-VIFPVBQESA-N -2 0 374.371 0.955 20 0 FCADRL CCCS(=O)(=O)[N-]c1ccccc1C(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001643705655 1290910421 /nfs/dbraw/zinc/91/04/21/1290910421.db2.gz NOJJQANBHSEWEG-UHFFFAOYSA-N -2 0 354.388 0.787 20 0 FCADRL CN1CC[C@@]2(CCCN2C(=O)c2ccccc2OP(=O)([O-])[O-])C1=O ZINC001276296892 861397708 /nfs/dbraw/zinc/39/77/08/861397708.db2.gz WAIXESNMFBSXHY-HNNXBMFYSA-N -2 0 354.299 0.995 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])C1=CN2C(=CC=C[C@@H]2C(F)(F)F)N1 ZINC001148013246 849599995 /nfs/dbraw/zinc/59/99/95/849599995.db2.gz RQWMDVFGPCWIIE-MRVPVSSYSA-N -2 0 355.209 0.301 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1nnc2cc(Br)ccn21 ZINC001155934807 849882935 /nfs/dbraw/zinc/88/29/35/849882935.db2.gz JLYIYWWHTLDHJR-UHFFFAOYSA-N -2 0 365.080 0.331 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2ccc(N[C@H]3SC(=O)[N-]C3=O)nc2)no1 ZINC001163664311 850377266 /nfs/dbraw/zinc/37/72/66/850377266.db2.gz CNHBCACZOPZLGN-NSHDSACASA-N -2 0 369.384 0.900 20 0 FCADRL CCn1c(N)c(Nc2ccc(P(=O)([O-])[O-])cc2)c(=O)n(CC)c1=O ZINC001164478361 850414061 /nfs/dbraw/zinc/41/40/61/850414061.db2.gz DWGALIYSEFXUKV-UHFFFAOYSA-N -2 0 354.303 0.179 20 0 FCADRL COC(=O)c1cncc(Br)c1NCCOP(=O)([O-])[O-] ZINC001168591570 850590459 /nfs/dbraw/zinc/59/04/59/850590459.db2.gz BSMUHRWRXBIWNE-UHFFFAOYSA-N -2 0 355.081 0.574 20 0 FCADRL COc1cccc(N2C[C@H](C(=O)NCCOP(=O)([O-])[O-])CC2=O)c1 ZINC001178635066 850912080 /nfs/dbraw/zinc/91/20/80/850912080.db2.gz BWEPSDWFQGEHMH-SNVBAGLBSA-N -2 0 358.287 0.274 20 0 FCADRL CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)NCCOP(=O)([O-])[O-] ZINC001181862320 851137598 /nfs/dbraw/zinc/13/75/98/851137598.db2.gz LMXURIAPMKYFAW-MRVPVSSYSA-N -2 0 352.280 0.138 20 0 FCADRL O=C(CNC(=O)c1nc(Cl)c2ccccc2c1[O-])NCS(=O)(=O)[O-] ZINC001183426019 851247454 /nfs/dbraw/zinc/24/74/54/851247454.db2.gz MHNCYJOOZGIOBK-UHFFFAOYSA-N -2 0 373.774 0.285 20 0 FCADRL CSc1ncc([O-])c(C(=O)NC(=N)SCCS(=O)(=O)[O-])n1 ZINC001185187917 851342601 /nfs/dbraw/zinc/34/26/01/851342601.db2.gz OGVWUQODIJXUAC-UHFFFAOYSA-N -2 0 352.419 0.190 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2ncnc3c2cnn3C)cc1C(=O)[O-] ZINC001185270618 851348081 /nfs/dbraw/zinc/34/80/81/851348081.db2.gz AUIYJDWRZAZIKO-UHFFFAOYSA-N -2 0 363.355 0.871 20 0 FCADRL CNC(=O)c1cccnc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185279243 851349335 /nfs/dbraw/zinc/34/93/35/851349335.db2.gz WWTHJRXTEWMSRI-UHFFFAOYSA-N -2 0 365.367 0.949 20 0 FCADRL COC(=O)c1cncc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1 ZINC001186143665 851413871 /nfs/dbraw/zinc/41/38/71/851413871.db2.gz PXIUHVVPTSSUBU-UHFFFAOYSA-N -2 0 355.303 0.901 20 0 FCADRL Cc1nn(C)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1C(N)=O ZINC001186139684 851414520 /nfs/dbraw/zinc/41/45/20/851414520.db2.gz MJHZPZQZXFTAGK-UHFFFAOYSA-N -2 0 356.335 0.466 20 0 FCADRL NC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2nccs2)cc1 ZINC001187899509 851624020 /nfs/dbraw/zinc/62/40/20/851624020.db2.gz CTAVKYMCERGFKF-UHFFFAOYSA-N -2 0 362.414 0.301 20 0 FCADRL COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189900101 851838975 /nfs/dbraw/zinc/83/89/75/851838975.db2.gz PWCKXMIFTYTUTJ-VIFPVBQESA-N -3 0 361.243 0.294 20 0 FCADRL Cc1ccnc(CNC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)n1 ZINC001189915080 851841484 /nfs/dbraw/zinc/84/14/84/851841484.db2.gz SZGBJOYEOPCXRR-UHFFFAOYSA-N -2 0 351.340 0.660 20 0 FCADRL CN(C)c1cc(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)[nH]n1 ZINC001189915799 851841973 /nfs/dbraw/zinc/84/19/73/851841973.db2.gz WHXBDPMCVWNJKT-UHFFFAOYSA-N -2 0 354.344 0.673 20 0 FCADRL O=C([O-])c1cc(C(=O)N2CCC[C@@H](F)C(=O)C2)cc(S(=O)(=O)[O-])c1 ZINC001189914162 851842160 /nfs/dbraw/zinc/84/21/60/851842160.db2.gz FLVXFWRTMQXFQC-LLVKDONJSA-N -2 0 359.331 0.775 20 0 FCADRL O=C([O-])c1cc(C(=O)N2CC[C@@H]3CCO[C@H]3C2)cc(S(=O)(=O)[O-])c1 ZINC001189923581 851843583 /nfs/dbraw/zinc/84/35/83/851843583.db2.gz MNBHXGCGKLCZHB-RNCFNFMXSA-N -2 0 355.368 0.883 20 0 FCADRL O=C([O-])c1cc(C(=O)N2[C@H]3COC[C@@H]2CC(=O)C3)cc(S(=O)(=O)[O-])c1 ZINC001189924393 851844667 /nfs/dbraw/zinc/84/46/67/851844667.db2.gz NDLODAUGTQKWCA-PHIMTYICSA-N -2 0 369.351 0.204 20 0 FCADRL Cc1[nH][nH]c(=O)c1CCNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189934757 851846381 /nfs/dbraw/zinc/84/63/81/851846381.db2.gz XPCKRSDPHRXMMJ-UHFFFAOYSA-N -2 0 369.355 0.341 20 0 FCADRL CCOC(=O)[C@@H](C)CNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189941426 851846956 /nfs/dbraw/zinc/84/69/56/851846956.db2.gz KMIMFKZUELSQNI-QMMMGPOBSA-N -2 0 359.356 0.561 20 0 FCADRL COC(=O)[C@H]1C[C@@H]1CNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189942243 851847445 /nfs/dbraw/zinc/84/74/45/851847445.db2.gz XEEIKKIMSNGQRQ-KOLCDFICSA-N -2 0 357.340 0.170 20 0 FCADRL COc1ccc(Br)cc1S(=O)(=O)NCC[P@@](=O)([O-])O ZINC001191125707 852014196 /nfs/dbraw/zinc/01/41/96/852014196.db2.gz BXRYCRUFQOWJJH-UHFFFAOYSA-N -2 0 374.149 0.914 20 0 FCADRL NC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192109945 852182804 /nfs/dbraw/zinc/18/28/04/852182804.db2.gz PXLCWHJVEUZEOG-UHFFFAOYSA-N -2 0 350.356 0.394 20 0 FCADRL COCCn1nccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192685075 852275404 /nfs/dbraw/zinc/27/54/04/852275404.db2.gz GQOSWEBDGHGOHH-UHFFFAOYSA-N -2 0 355.372 0.794 20 0 FCADRL O=C([O-])CCC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195260527 852733837 /nfs/dbraw/zinc/73/38/37/852733837.db2.gz YYAPTLAANURHLL-UHFFFAOYSA-N -2 0 351.283 0.375 20 0 FCADRL Cc1nn(CC2CCOCC2)c(C)c1C(=O)NCCOP(=O)([O-])[O-] ZINC001198659408 853298189 /nfs/dbraw/zinc/29/81/89/853298189.db2.gz CCKSFXUJCYRXSZ-UHFFFAOYSA-N -2 0 361.335 0.766 20 0 FCADRL Cn1ccc(Nc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])cc1=O ZINC001206113946 853658277 /nfs/dbraw/zinc/65/82/77/853658277.db2.gz DJEPKFYHJPNJDO-UHFFFAOYSA-N -2 0 360.369 0.622 20 0 FCADRL CCOC(=O)c1cccc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001223283541 856906924 /nfs/dbraw/zinc/90/69/24/856906924.db2.gz VIKITTWBCIREGE-WCQYABFASA-N -2 0 354.311 0.443 20 0 FCADRL Cc1nc(-c2cccc(COC(=O)[C@H](O)COP(=O)([O-])[O-])c2)no1 ZINC001223717696 856939232 /nfs/dbraw/zinc/93/92/32/856939232.db2.gz DLBUZMACAVTBIF-LLVKDONJSA-N -2 0 358.243 0.558 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@H]1COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225055263 857017111 /nfs/dbraw/zinc/01/71/11/857017111.db2.gz IXBOQWDNKYSDAW-IQJOONFLSA-N -2 0 361.347 0.075 20 0 FCADRL Cc1cc(Br)cnc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001226092091 857084861 /nfs/dbraw/zinc/08/48/61/857084861.db2.gz VFCGPOAPAWUFGL-IONNQARKSA-N -2 0 362.132 0.594 20 0 FCADRL Nc1nc(-c2cccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2)cs1 ZINC001226109401 857085619 /nfs/dbraw/zinc/08/56/19/857085619.db2.gz FUJASHIKLZAGKK-BXKDBHETSA-N -2 0 366.351 0.834 20 0 FCADRL COC(=O)/C=C/c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001226249131 857093925 /nfs/dbraw/zinc/09/39/25/857093925.db2.gz QXZNEOKHRNYORJ-ZHVYSYIMSA-N -2 0 352.295 0.315 20 0 FCADRL O=C(Oc1c(O)cccc1Br)[C@H](O)COP(=O)([O-])[O-] ZINC001227023859 857137767 /nfs/dbraw/zinc/13/77/67/857137767.db2.gz GLEWPMNCICWQJL-SSDOTTSWSA-N -2 0 357.049 0.530 20 0 FCADRL COC(=O)c1cc(Br)c([O-])cc1OC(=O)[C@H](O)CC(=O)[O-] ZINC001227359744 857156729 /nfs/dbraw/zinc/15/67/29/857156729.db2.gz NXWPPQZAGKIAIT-MRVPVSSYSA-N -2 0 363.116 0.682 20 0 FCADRL COc1ccc(C(C)=O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1OC ZINC001227418166 857158443 /nfs/dbraw/zinc/15/84/43/857158443.db2.gz WUZMOGKLWDEWEK-SECBINFHSA-N -2 0 364.243 0.282 20 0 FCADRL Cc1cc(=O)oc2cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccc12 ZINC001227541911 857163681 /nfs/dbraw/zinc/16/36/81/857163681.db2.gz CTXYBVRRTQDZRR-IINYFYTJSA-N -2 0 350.279 0.543 20 0 FCADRL O=C(Oc1cc(Br)c(F)cn1)[C@H](O)COP(=O)([O-])[O-] ZINC001227580923 857166162 /nfs/dbraw/zinc/16/61/62/857166162.db2.gz MPAMUAKQDDTYCO-ZCFIWIBFSA-N -2 0 360.028 0.359 20 0 FCADRL COC(=O)Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(C)c1 ZINC001227729871 857173138 /nfs/dbraw/zinc/17/31/38/857173138.db2.gz UUMFCZFSWYCSRF-HZMBPMFUSA-N -2 0 354.311 0.152 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1nccc2cc(Cl)ncc21)[C@@H](O)C(=O)[O-] ZINC001227855610 857180636 /nfs/dbraw/zinc/18/06/36/857180636.db2.gz QVMVFBMIWVTGOG-RDDDGLTNSA-N -2 0 354.702 0.725 20 0 FCADRL Cc1ccnc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1Br ZINC001227903918 857183279 /nfs/dbraw/zinc/18/32/79/857183279.db2.gz HZNAMUFIDGTGIH-IMTBSYHQSA-N -2 0 362.132 0.594 20 0 FCADRL Cc1cnc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(Br)c1 ZINC001228172296 857194607 /nfs/dbraw/zinc/19/46/07/857194607.db2.gz SQRBBNGETXSIEL-MUWHJKNJSA-N -2 0 362.132 0.594 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccnc(Br)c1F)[C@@H](O)C(=O)[O-] ZINC001228539662 857213792 /nfs/dbraw/zinc/21/37/92/857213792.db2.gz DYJUSQCONPSPDM-RNHFCUEFSA-N -2 0 366.095 0.425 20 0 FCADRL COC(=O)c1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc2ccccc21 ZINC001228780833 857227942 /nfs/dbraw/zinc/22/79/42/857227942.db2.gz HVOCVDAWSYZAID-LLVKDONJSA-N -2 0 371.238 0.397 20 0 FCADRL CCOC(=O)c1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cnc1C ZINC001229028716 857244976 /nfs/dbraw/zinc/24/49/76/857244976.db2.gz HZGNJJYLVZJKDW-JQWIXIFHSA-N -2 0 355.299 0.009 20 0 FCADRL Cc1ccnc(Br)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001229207704 857258495 /nfs/dbraw/zinc/25/84/95/857258495.db2.gz PJTOZAMIKQQPKI-HTRCEHHLSA-N -2 0 362.132 0.594 20 0 FCADRL Cc1csc2nc(=S)[nH]c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c12 ZINC001229352016 857266202 /nfs/dbraw/zinc/26/62/02/857266202.db2.gz FQGGTQSIQLXSMG-RXMQYKEDSA-N -2 0 366.313 0.664 20 0 FCADRL COC(=O)c1c(Cl)cccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001229843392 857289765 /nfs/dbraw/zinc/28/97/65/857289765.db2.gz VYLDECJREVSQLW-UPONEAKYSA-N -2 0 360.702 0.568 20 0 FCADRL O=C(Oc1ccc(Cl)c2c1C(=O)CC2)[C@H](O)COP(=O)([O-])[O-] ZINC001229848694 857289777 /nfs/dbraw/zinc/28/97/77/857289777.db2.gz JJRBONVRHMPOJQ-SECBINFHSA-N -2 0 350.647 0.845 20 0 FCADRL COC(=O)c1cc(Cl)c(C)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001229853876 857290296 /nfs/dbraw/zinc/29/02/96/857290296.db2.gz JAXNNXDYHNKPBG-PELKAZGASA-N -2 0 374.729 0.877 20 0 FCADRL COc1ccc2nc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])sc2n1 ZINC001229996795 857296610 /nfs/dbraw/zinc/29/66/10/857296610.db2.gz OWQWXSWNPRRDKK-SSDLBLMSSA-N -2 0 356.312 0.142 20 0 FCADRL CC(=O)CCc1ccc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001230397838 857333514 /nfs/dbraw/zinc/33/35/14/857333514.db2.gz HTQABYIDWOYLTN-QMTHXVAHSA-N -2 0 354.311 0.356 20 0 FCADRL CC(=O)N1CCc2c1cccc2OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001230484099 857340740 /nfs/dbraw/zinc/34/07/40/857340740.db2.gz AIRHKPVRFMVUQE-IINYFYTJSA-N -2 0 351.311 0.037 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ncnc2c(Cl)cccc12)[C@H](O)C(=O)[O-] ZINC001230778477 857346830 /nfs/dbraw/zinc/34/68/30/857346830.db2.gz GRBPKNCAILAQOU-CPCISQLKSA-N -2 0 354.702 0.725 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ncnc2cccc(Cl)c21)[C@@H](O)C(=O)[O-] ZINC001230760209 857346893 /nfs/dbraw/zinc/34/68/93/857346893.db2.gz XRIPYHPHYBKYRX-KSBSHMNSSA-N -2 0 354.702 0.725 20 0 FCADRL COC(=O)/C=C/c1cccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001231012805 857354066 /nfs/dbraw/zinc/35/40/66/857354066.db2.gz OFPCUUMJGAYNRS-RPHDQRHUSA-N -2 0 352.295 0.315 20 0 FCADRL CCOC(=O)n1nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c2ccccc21 ZINC001233609577 857387643 /nfs/dbraw/zinc/38/76/43/857387643.db2.gz WMEUAJPVLKIQJS-SNVBAGLBSA-N -2 0 374.242 0.417 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cnc(F)c(Br)c1)[C@H](O)C(=O)[O-] ZINC001233670638 857389122 /nfs/dbraw/zinc/38/91/22/857389122.db2.gz PPAQJYFFSXDOKM-XNCJUZBTSA-N -2 0 366.095 0.425 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(F)cc1-c1ccno1)[C@@H](O)C(=O)[O-] ZINC001233815806 857391520 /nfs/dbraw/zinc/39/15/20/857391520.db2.gz ZSVKQUJXUHGKQJ-TVQRCGJNSA-N -2 0 353.258 0.923 20 0 FCADRL CSc1ncc2c(ccnc2OC(=O)[C@H](O)COP(=O)([O-])[O-])n1 ZINC001233955955 857392724 /nfs/dbraw/zinc/39/27/24/857392724.db2.gz DCGVVEXRKYZDEW-MRVPVSSYSA-N -2 0 361.272 0.122 20 0 FCADRL COc1cc(F)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1Cl ZINC001234321443 857401280 /nfs/dbraw/zinc/40/12/80/857401280.db2.gz NEANSOJDUHVWRM-DYEAUMGKSA-N -2 0 350.682 0.930 20 0 FCADRL CC(C)Oc1ncc(Cl)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234311444 857401285 /nfs/dbraw/zinc/40/12/85/857401285.db2.gz JMZVCXRGMDKPDU-LDYMZIIASA-N -2 0 361.734 0.964 20 0 FCADRL CCOC(=O)c1c(=O)c2ccsc2[n-]c1OC(=O)[C@@H](O)CC(=O)[O-] ZINC001234597002 857410104 /nfs/dbraw/zinc/41/01/04/857410104.db2.gz NODCRSIBHIKLAC-ZETCQYMHSA-N -2 0 355.324 0.920 20 0 FCADRL O=C(Oc1ncccc1C(=O)c1ccccc1)[C@H](O)COP(=O)([O-])[O-] ZINC001234664714 857410924 /nfs/dbraw/zinc/41/09/24/857410924.db2.gz GMEAELMMJWQTBI-GFCCVEGCSA-N -2 0 367.250 0.688 20 0 FCADRL CC(=O)n1ncc2cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc21 ZINC001234871717 857415145 /nfs/dbraw/zinc/41/51/45/857415145.db2.gz MFQYIMAWQRVYNF-MFKMUULPSA-N -2 0 350.283 0.138 20 0 FCADRL COc1cc(OC)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1Cl ZINC001234941314 857416060 /nfs/dbraw/zinc/41/60/60/857416060.db2.gz GSRNEFFVANFTNT-SSDOTTSWSA-N -2 0 356.651 0.733 20 0 FCADRL N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cc(Cl)c([O-])cc1F ZINC001250020132 857654183 /nfs/dbraw/zinc/65/41/83/857654183.db2.gz LSDVEUNYPZENOV-UHFFFAOYSA-N -2 0 365.730 0.196 20 0 FCADRL NC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CC(F)(F)F)cc1 ZINC001253193409 857871442 /nfs/dbraw/zinc/87/14/42/857871442.db2.gz MLMKAXWCZSAFIT-UHFFFAOYSA-N -2 0 361.323 0.348 20 0 FCADRL CS(=O)(=O)[N-]C(=O)Cc1ccc([N-]S(=O)(=O)c2ccccn2)cc1 ZINC001259289173 858255061 /nfs/dbraw/zinc/25/50/61/858255061.db2.gz CTOZHAKWGCCOPF-UHFFFAOYSA-N -2 0 369.424 0.501 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cncc(N3CCOCC3)n2)c1 ZINC001260183462 858351566 /nfs/dbraw/zinc/35/15/66/858351566.db2.gz RJXKQGQZZLTJNO-UHFFFAOYSA-N -2 0 364.383 0.812 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)c1ccccn1 ZINC001260401717 858368994 /nfs/dbraw/zinc/36/89/94/858368994.db2.gz CDBBSCBGKQEQRQ-CYBMUJFWSA-N -2 0 366.351 0.678 20 0 FCADRL CS(=O)(=O)CS(=O)(=O)Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001260592195 858394165 /nfs/dbraw/zinc/39/41/65/858394165.db2.gz AMZKXKZNPPWYTA-UHFFFAOYSA-N -2 0 363.822 0.331 20 0 FCADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C(=O)NCCCC(=O)[O-] ZINC001326548354 870376398 /nfs/dbraw/zinc/37/63/98/870376398.db2.gz WTTYXVACNWHSCR-UHFFFAOYSA-N -2 0 352.372 0.336 20 0 FCADRL CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)CCCC(=O)[O-])CC1 ZINC001329217525 871894163 /nfs/dbraw/zinc/89/41/63/871894163.db2.gz XSTVUKUDLIQLRF-UHFFFAOYSA-N -2 0 350.393 0.308 20 0 FCADRL CC[C@@](COC)([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000328507302 971486207 /nfs/dbraw/zinc/48/62/07/971486207.db2.gz YSNYEFWVBYCXRY-LBPRGKRZSA-N -2 0 350.324 0.892 20 0 FCADRL O=C([N-][C@@H](CO)C(F)(F)F)C(F)(F)c1ccccc1-c1nn[nH]n1 ZINC001570953857 949791586 /nfs/dbraw/zinc/79/15/86/949791586.db2.gz WBRUZLQMHKVRFJ-QMMMGPOBSA-N -2 0 351.235 0.998 20 0 FCADRL C[C@]1(C(F)F)CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCO1 ZINC001575614934 950560861 /nfs/dbraw/zinc/56/08/61/950560861.db2.gz WDAWYUBKSIUDLF-CQSZACIVSA-N -2 0 366.332 0.471 20 0 FCADRL O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001595023608 951326923 /nfs/dbraw/zinc/32/69/23/951326923.db2.gz ZKTLLPZJZAYKTB-ZDUSSCGKSA-N -2 0 371.393 0.997 20 0 FCADRL O=C([O-])CN1CCCC[C@H](NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1=O ZINC001595096567 951819727 /nfs/dbraw/zinc/81/97/27/951819727.db2.gz PZINJHDSIQKVHJ-LBPRGKRZSA-N -2 0 374.353 0.225 20 0 FCADRL O=C([O-])COCCOCCNS(=O)(=O)c1cccc(Cl)c1[O-] ZINC001595117021 951948019 /nfs/dbraw/zinc/94/80/19/951948019.db2.gz WMEKUNJTSWDNKJ-UHFFFAOYSA-N -2 0 353.780 0.442 20 0 FCADRL CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)[N-]OCC2CCC2)C1 ZINC001602892491 971803871 /nfs/dbraw/zinc/80/38/71/971803871.db2.gz HMMKAXRPBRSEIQ-INIZCTEOSA-N -2 0 358.391 0.925 20 0 FCADRL CCC[C@]1(C)C(=O)NCCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001571083478 952175596 /nfs/dbraw/zinc/17/55/96/952175596.db2.gz LNLIMPZSVUGTKH-MRXNPFEDSA-N -2 0 371.405 0.106 20 0 FCADRL CCCNC(=O)CN(CCC)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001571104998 952386106 /nfs/dbraw/zinc/38/61/06/952386106.db2.gz FRTOOUXSLQNHFH-UHFFFAOYSA-N -2 0 373.421 0.353 20 0 FCADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C1 ZINC001589272655 953426624 /nfs/dbraw/zinc/42/66/24/953426624.db2.gz OIHPPCXFYUQFCC-GHMZBOCLSA-N -2 0 370.427 0.825 20 0 FCADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C1 ZINC001589272658 953426875 /nfs/dbraw/zinc/42/68/75/953426875.db2.gz OIHPPCXFYUQFCC-WDEREUQCSA-N -2 0 370.427 0.825 20 0 FCADRL C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])[C@H]1C(=O)[O-] ZINC001589329731 953944093 /nfs/dbraw/zinc/94/40/93/953944093.db2.gz QUQSIKPSOSLUOB-QMTHXVAHSA-N -2 0 370.427 0.968 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cc(F)c[nH]1 ZINC001594890653 954519820 /nfs/dbraw/zinc/51/98/20/954519820.db2.gz QWIZRGYVTVIJTO-CBAPKCEASA-N -2 0 351.256 0.890 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1n[nH]cc1F ZINC001594897140 954576769 /nfs/dbraw/zinc/57/67/69/954576769.db2.gz WCZAUYHVRGSZBH-HTRCEHHLSA-N -2 0 352.244 0.285 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1n[nH]cc1F ZINC001594897177 954577088 /nfs/dbraw/zinc/57/70/88/954577088.db2.gz WCZAUYHVRGSZBH-SVRRBLITSA-N -2 0 352.244 0.285 20 0 FCADRL O=C([O-])[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)Cc2ccccc21 ZINC001594947407 954923411 /nfs/dbraw/zinc/92/34/11/954923411.db2.gz QXTGKTLJLQVJNO-CYBMUJFWSA-N -2 0 353.338 0.282 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCc1ccncn1 ZINC000851702959 955824337 /nfs/dbraw/zinc/82/43/37/955824337.db2.gz NRHWVXFDVAVWRA-CMPLNLGQSA-N -2 0 374.319 0.532 20 0 FCADRL O=C([O-])c1cncc(NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC001594697646 956789312 /nfs/dbraw/zinc/78/93/12/956789312.db2.gz PCTDJRCUKBYUHG-UHFFFAOYSA-N -2 0 371.321 0.975 20 0 FCADRL O=C([O-])[C@@H]1C[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c2ccccc21 ZINC001594714808 956914047 /nfs/dbraw/zinc/91/40/47/956914047.db2.gz MYZLYXDWQHLZSK-YPMHNXCESA-N -2 0 353.338 0.501 20 0 FCADRL COc1nnc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])s1 ZINC001594162046 958905808 /nfs/dbraw/zinc/90/58/08/958905808.db2.gz WOEXLSMAJKVNHQ-POYBYMJQSA-N -2 0 368.337 0.643 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)[N-]C(=O)CCC(=O)[O-])C1 ZINC001588685584 960639617 /nfs/dbraw/zinc/63/96/17/960639617.db2.gz UURIMQZWEJWQSG-VIFPVBQESA-N -2 0 350.393 0.307 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)[N-]C(=O)CCC(=O)[O-])C1 ZINC001588685583 960639676 /nfs/dbraw/zinc/63/96/76/960639676.db2.gz UURIMQZWEJWQSG-SECBINFHSA-N -2 0 350.393 0.307 20 0 FCADRL CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)[N-]OC/C=C\Cl)C1 ZINC001588698520 960781262 /nfs/dbraw/zinc/78/12/62/960781262.db2.gz JMZBRXBRVOFRJA-WSNITJDQSA-N -2 0 364.782 0.877 20 0 FCADRL CCc1cc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])no1 ZINC001573952114 961648320 /nfs/dbraw/zinc/64/83/20/961648320.db2.gz FDMBJTXEFSTTPA-SCZZXKLOSA-N -2 0 363.292 0.973 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC001573991505 961831959 /nfs/dbraw/zinc/83/19/59/961831959.db2.gz KRXRRKUBYXQUMV-UHFFFAOYSA-N -2 0 358.416 0.873 20 0 FCADRL COC(=O)CC[C@H](NC(=O)c1nc[n-]c(=O)c1Br)C(=O)[O-] ZINC001574065714 962229413 /nfs/dbraw/zinc/22/94/13/962229413.db2.gz DFQYSZKURIQUGX-YFKPBYRVSA-N -2 0 362.136 0.081 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(C)c2)on1 ZINC001574085514 962326076 /nfs/dbraw/zinc/32/60/76/962326076.db2.gz XGSVTDARBWDFHN-LBPRGKRZSA-N -2 0 354.340 0.874 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCc1cncnc1 ZINC001574647082 962391044 /nfs/dbraw/zinc/39/10/44/962391044.db2.gz LBFPQCUOIJTVLF-ZYHUDNBSSA-N -2 0 374.319 0.532 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccsn1 ZINC001574649372 962414383 /nfs/dbraw/zinc/41/43/83/962414383.db2.gz ZHWHWQVVQMSBEL-POYBYMJQSA-N -2 0 351.306 0.879 20 0 FCADRL COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NC(C)(C)C(=O)[O-])cc2)[n-]1 ZINC000738034865 969138223 /nfs/dbraw/zinc/13/82/23/969138223.db2.gz CEYWAUYTEJRCKL-UHFFFAOYSA-N -2 0 361.354 0.474 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1nccs1 ZINC001605974135 972989741 /nfs/dbraw/zinc/98/97/41/972989741.db2.gz LAWOZFWRAORAAU-RQJHMYQMSA-N -2 0 351.306 0.879 20 0 FCADRL COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)cc2)[n-]1 ZINC001604334562 973024530 /nfs/dbraw/zinc/02/45/30/973024530.db2.gz UDMUAYNYLNPJEZ-TXEJJXNPSA-N -2 0 373.365 0.474 20 0 FCADRL O=C([O-])[C@@H]1CS(=O)(=O)CCN1Cc1ncc(Br)cc1[O-] ZINC001606058007 973177612 /nfs/dbraw/zinc/17/76/12/973177612.db2.gz YKMARVSRBAHVMG-VIFPVBQESA-N -2 0 365.205 0.233 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCN2Cc2ccccc2)on1 ZINC000716155809 977807614 /nfs/dbraw/zinc/80/76/14/977807614.db2.gz FVEJGVBIEMAOJW-GFCCVEGCSA-N -2 0 351.384 0.926 20 0 FCADRL C[C@H](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001592370590 977885766 /nfs/dbraw/zinc/88/57/66/977885766.db2.gz GYQCPUFNCGJUMK-YPMHNXCESA-N -2 0 362.448 0.851 20 0 FCADRL C[C@@](CNS(=O)(=O)c1cnn(CC(=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC001592722394 979223995 /nfs/dbraw/zinc/22/39/95/979223995.db2.gz LCDAXMNRAWDTKP-HNNXBMFYSA-N -2 0 367.383 0.289 20 0 FCADRL C[C@@](CO)(NC(=O)c1cccc(I)c1[O-])C(=O)[O-] ZINC001592744525 979288490 /nfs/dbraw/zinc/28/84/90/979288490.db2.gz MFPWPWIVBWNCNY-NSHDSACASA-N -2 0 365.123 0.562 20 0 FCADRL C[C@@H](CSCCNS(=O)(=O)c1csnc1C(=O)[O-])C(=O)[O-] ZINC001592825592 979544994 /nfs/dbraw/zinc/54/49/94/979544994.db2.gz IXVAUDDNBCVAFI-LURJTMIESA-N -2 0 354.431 0.574 20 0 FCADRL C[C@@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001592980014 980149120 /nfs/dbraw/zinc/14/91/20/980149120.db2.gz SGASEDINRGUBGG-DVVUODLYSA-N -2 0 365.386 0.913 20 0 FCADRL C[C@@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001592989593 980174205 /nfs/dbraw/zinc/17/42/05/980174205.db2.gz IVLSEYJWUCIBEW-SECBINFHSA-N -2 0 356.400 0.741 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])C1=O ZINC001595372115 980858432 /nfs/dbraw/zinc/85/84/32/980858432.db2.gz XZQYOJGTYRGORN-AWEZNQCLSA-N -2 0 355.372 0.607 20 0 FCADRL CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001595599042 981570051 /nfs/dbraw/zinc/57/00/51/981570051.db2.gz RZEROPIBMHIPAO-GFCCVEGCSA-N -2 0 356.400 0.045 20 0 FCADRL CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C ZINC001595003812 982916745 /nfs/dbraw/zinc/91/67/45/982916745.db2.gz GOBRJUVHHVWMAV-UWVGGRQHSA-N -2 0 366.436 0.989 20 0 FCADRL CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@](C)(COC)C(=O)[O-] ZINC001596586437 984516054 /nfs/dbraw/zinc/51/60/54/984516054.db2.gz BXJXDKCNXNBFGQ-XVKPBYJWSA-N -2 0 365.326 0.280 20 0 FCADRL CCOC(=O)CC[C@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)C(=O)[O-] ZINC001596614030 984578688 /nfs/dbraw/zinc/57/86/88/984578688.db2.gz XKDXGJBROONNOH-QMMMGPOBSA-N -2 0 365.385 0.521 20 0 FCADRL CCOC(=O)Cn1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC001596637977 984630522 /nfs/dbraw/zinc/63/05/22/984630522.db2.gz UJTAAALWNSROHF-UHFFFAOYSA-N -2 0 353.356 0.945 20 0 FCADRL CCOC(=O)Cn1nc(C)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001596639328 984631011 /nfs/dbraw/zinc/63/10/11/984631011.db2.gz BVDCCLQLFHBURO-UHFFFAOYSA-N -2 0 356.360 0.582 20 0 FCADRL CCOC(=O)Cn1nc(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001596640565 984634720 /nfs/dbraw/zinc/63/47/20/984634720.db2.gz URZCXHAWMVNJRA-UHFFFAOYSA-N -2 0 357.344 0.847 20 0 FCADRL CCOC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)C(C)C ZINC001596657474 984700002 /nfs/dbraw/zinc/70/00/02/984700002.db2.gz IDOZKJNVAFTQAL-GFCCVEGCSA-N -2 0 372.399 0.960 20 0 FCADRL CCOC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])nc1 ZINC001596717924 984947241 /nfs/dbraw/zinc/94/72/41/984947241.db2.gz CGODIWQBETWCDB-IUCAKERBSA-N -2 0 358.372 0.427 20 0 FCADRL CCOC(=O)c1nnc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)s1 ZINC001596755434 985128379 /nfs/dbraw/zinc/12/83/79/985128379.db2.gz YZABONWFXAUNMP-UHFFFAOYSA-N -2 0 358.357 0.609 20 0 FCADRL CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001589137662 985441541 /nfs/dbraw/zinc/44/15/41/985441541.db2.gz MRLVCDDDZUSUIK-JTQLQIEISA-N -2 0 372.399 0.126 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001599941379 985459024 /nfs/dbraw/zinc/45/90/24/985459024.db2.gz PGPOFCIUQKBOMA-NSHDSACASA-N -2 0 357.370 0.956 20 0 FCADRL CC(=O)c1[nH]c(CC(=O)[N-]S(=O)(=O)N2CCCCC2)c(C(=O)[O-])c1C ZINC001589244437 985847116 /nfs/dbraw/zinc/84/71/16/985847116.db2.gz RIGGGCWOAOTLJA-UHFFFAOYSA-N -2 0 371.415 0.613 20 0 FCADRL CCOCCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001596924215 986000765 /nfs/dbraw/zinc/00/07/65/986000765.db2.gz PMDSDRWKHFPOHO-LLVKDONJSA-N -2 0 366.436 0.087 20 0 FCADRL CCOCCN(C[C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001596924423 986001600 /nfs/dbraw/zinc/00/16/00/986001600.db2.gz YNVUSJYOTVZBIU-JTQLQIEISA-N -2 0 360.388 0.528 20 0 FCADRL CC(=O)c1cccc(OCC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001589311846 986100002 /nfs/dbraw/zinc/10/00/02/986100002.db2.gz YXXMRFNLWHUFGZ-MWLCHTKSSA-N -2 0 357.384 0.823 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2csnc2C(=O)[O-])[C@@H](C(=O)[O-])[C@H](C)O1 ZINC001594561966 986326448 /nfs/dbraw/zinc/32/64/48/986326448.db2.gz OHJKTUSLPNQZCH-QIOHGKGESA-N -2 0 350.374 0.092 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2scnc2C(=O)[O-])[C@@H](C(=O)[O-])[C@H](C)O1 ZINC001594562494 986334035 /nfs/dbraw/zinc/33/40/35/986334035.db2.gz UEODVXCMEXBZQT-GKROBHDKSA-N -2 0 350.374 0.092 20 0 FCADRL C[C@@H](C(=O)NCc1ccccc1F)S(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001589416780 986659453 /nfs/dbraw/zinc/65/94/53/986659453.db2.gz ZXYHYVVCGRQNGB-QMMMGPOBSA-N -2 0 355.347 0.726 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCCNC(=O)OC(C)(C)C ZINC001589451022 986842827 /nfs/dbraw/zinc/84/28/27/986842827.db2.gz HDQKHPWRCGHVDI-UWVGGRQHSA-N -2 0 366.436 0.847 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2ccccc2oc1=O ZINC001589451954 986848500 /nfs/dbraw/zinc/84/85/00/986848500.db2.gz KFNJBJZKWGHYAM-BDAKNGLRSA-N -2 0 353.352 0.962 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(-n2cccn2)cc1 ZINC001589452650 986849663 /nfs/dbraw/zinc/84/96/63/986849663.db2.gz LZXWBIAFZRCJGN-NWDGAFQWSA-N -2 0 365.411 0.970 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC001589452736 986851045 /nfs/dbraw/zinc/85/10/45/986851045.db2.gz MSPZWDQESKIYBV-YIZRAAEISA-N -2 0 360.354 0.426 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C)c2ccccc21 ZINC001589453231 986858856 /nfs/dbraw/zinc/85/88/56/986858856.db2.gz PCIZXNOGZRYIDV-NHCYSSNCSA-N -2 0 368.411 0.692 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnc2)cc1 ZINC001589453472 986861575 /nfs/dbraw/zinc/86/15/75/986861575.db2.gz PKAXOLTWLJODPA-VHSXEESVSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CC1CCC2(CC1)OCCO2 ZINC001589453846 986867945 /nfs/dbraw/zinc/86/79/45/986867945.db2.gz RVYGVABYNIJCHR-WDEREUQCSA-N -2 0 363.432 0.865 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1COC[C@H]1c1ccccc1 ZINC001589454683 986883102 /nfs/dbraw/zinc/88/31/02/986883102.db2.gz XFFYEZCKSFKLIX-AUZPSNTRSA-N -2 0 355.412 0.972 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(Br)n(C)n1 ZINC001589454848 986886345 /nfs/dbraw/zinc/88/63/45/986886345.db2.gz XQHVJLALFPWSNI-WDSKDSINSA-N -2 0 368.209 0.351 20 0 FCADRL C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001594662087 986941986 /nfs/dbraw/zinc/94/19/86/986941986.db2.gz XVUSAFFJWYMTOQ-CPCISQLKSA-N -2 0 363.388 0.990 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001589491043 987057479 /nfs/dbraw/zinc/05/74/79/987057479.db2.gz HCICWHRCFMLLSO-SNVBAGLBSA-N -2 0 370.427 0.633 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC001589492081 987062382 /nfs/dbraw/zinc/06/23/82/987062382.db2.gz QXVZVRPPTAVPHF-ZWNOBZJWSA-N -2 0 357.384 0.777 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCNC(=O)c1ccc(F)cc1 ZINC001589494022 987069807 /nfs/dbraw/zinc/06/98/07/987069807.db2.gz HTERKLBSJVHUQB-SECBINFHSA-N -2 0 360.363 0.255 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC001589495214 987073618 /nfs/dbraw/zinc/07/36/18/987073618.db2.gz NLVOIMOJEOSZIS-GWCFXTLKSA-N -2 0 358.391 0.709 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC001589495257 987074586 /nfs/dbraw/zinc/07/45/86/987074586.db2.gz ODADQKSKGBABDU-UTLUCORTSA-N -2 0 364.420 0.599 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CCCCN1C(=O)c1cccs1 ZINC001589496464 987079327 /nfs/dbraw/zinc/07/93/27/987079327.db2.gz WSSSPTTVONBBAE-VHSXEESVSA-N -2 0 374.440 0.662 20 0 FCADRL CCC(=O)C[C@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C(=O)[O-] ZINC001594695962 987118230 /nfs/dbraw/zinc/11/82/30/987118230.db2.gz LOJRNBCMKPJALD-VIFPVBQESA-N -2 0 365.310 0.764 20 0 FCADRL CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001597321764 987449289 /nfs/dbraw/zinc/44/92/89/987449289.db2.gz DZCPIBPPYIHJLN-HZMBPMFUSA-N -2 0 370.427 0.882 20 0 FCADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-] ZINC001597718437 988994814 /nfs/dbraw/zinc/99/48/14/988994814.db2.gz RBHDKKRIKFIFFR-UHFFFAOYSA-N -2 0 363.461 0.558 20 0 FCADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC001597777792 989250649 /nfs/dbraw/zinc/25/06/49/989250649.db2.gz FUSVWEVURKSTGU-CLAHSXSESA-N -2 0 361.372 0.793 20 0 FCADRL CC(C)(C)OC(=O)NC1(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])CC1 ZINC001590125392 989360862 /nfs/dbraw/zinc/36/08/62/989360862.db2.gz LUFIXGHTKKALQT-UHFFFAOYSA-N -2 0 364.420 0.601 20 0 FCADRL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)O[C@H]1C(=O)[O-] ZINC001599875950 989418688 /nfs/dbraw/zinc/41/86/88/989418688.db2.gz KOOIOPROECNZQT-OWYVNGRQSA-N -2 0 353.396 0.858 20 0 FCADRL C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001599881905 989496092 /nfs/dbraw/zinc/49/60/92/989496092.db2.gz FRAXAPOQBRCSEB-RKDXNWHRSA-N -2 0 372.365 0.855 20 0 FCADRL CCn1c(=O)[nH]c2cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])ccc21 ZINC001597832617 989504480 /nfs/dbraw/zinc/50/44/80/989504480.db2.gz RNZLKTRYZMVNCG-RKDXNWHRSA-N -2 0 369.399 0.931 20 0 FCADRL CCn1cc(CC(=O)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cn1 ZINC001597884945 989723200 /nfs/dbraw/zinc/72/32/00/989723200.db2.gz YUSLGOOZSBSFFB-UHFFFAOYSA-N -2 0 373.337 0.927 20 0 FCADRL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c(C(N)=O)n1 ZINC001597896281 989761207 /nfs/dbraw/zinc/76/12/07/989761207.db2.gz BTKORIRHRUPNEO-UHFFFAOYSA-N -2 0 370.362 0.948 20 0 FCADRL CC(C)(CCNC(=O)C(=O)NCCc1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC001590671311 990383458 /nfs/dbraw/zinc/38/34/58/990383458.db2.gz TXTZMUHHRALTOA-UHFFFAOYSA-N -2 0 350.371 0.661 20 0 FCADRL CC(C)(CS(=O)(=O)N1CC(=O)Nc2cc(C(=O)[O-])ccc21)C(=O)[O-] ZINC001590788759 990609575 /nfs/dbraw/zinc/60/95/75/990609575.db2.gz HOBBFIYMFQKFCK-UHFFFAOYSA-N -2 0 356.356 0.584 20 0 FCADRL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])no2)c1 ZINC001598163316 990668308 /nfs/dbraw/zinc/66/83/08/990668308.db2.gz UDLHOMQHXBYHKL-UHFFFAOYSA-N -2 0 367.339 0.193 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1 ZINC001599683821 990953765 /nfs/dbraw/zinc/95/37/65/990953765.db2.gz ZOJUQPZPGRVUFS-SHZVTRLKSA-N -2 0 368.455 0.810 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC2(C(=O)[O-])CCCC2)c1 ZINC001598276543 991152672 /nfs/dbraw/zinc/15/26/72/991152672.db2.gz AAMUMFPXGWEZMY-UHFFFAOYSA-N -2 0 356.400 0.770 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@](C)(C(=O)[O-])C2CC2)c1 ZINC001598277297 991159297 /nfs/dbraw/zinc/15/92/97/991159297.db2.gz UFLKUOJGRQWZGY-HNNXBMFYSA-N -2 0 356.400 0.626 20 0 FCADRL CC(C)[C@H](CNC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1)C(=O)[O-] ZINC001590983278 991159373 /nfs/dbraw/zinc/15/93/73/991159373.db2.gz HHNDRWFMFSEDNN-QWRGUYRKSA-N -2 0 353.379 0.680 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001599760313 992111666 /nfs/dbraw/zinc/11/16/66/992111666.db2.gz KRIRXHWYQQEYKE-WPRPVWTQSA-N -2 0 360.363 0.105 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])cn1 ZINC001599761404 992127263 /nfs/dbraw/zinc/12/72/63/992127263.db2.gz YHNGXGGPJPKKDL-MNOVXSKESA-N -2 0 357.388 0.205 20 0 FCADRL CN(CCCNC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])CC(F)(F)F ZINC001598480454 992141724 /nfs/dbraw/zinc/14/17/24/992141724.db2.gz MSFUATSBWNRWPZ-NXEZZACHSA-N -2 0 369.340 0.830 20 0 FCADRL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])nn1 ZINC001599773874 992278028 /nfs/dbraw/zinc/27/80/28/992278028.db2.gz UROAHSRFYFNVBL-UHFFFAOYSA-N -2 0 357.369 0.379 20 0 FCADRL CC(C)N(CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C(=O)OC(C)(C)C ZINC001591561009 992761431 /nfs/dbraw/zinc/76/14/31/992761431.db2.gz FHIZMWWDVRBZED-UHFFFAOYSA-N -2 0 366.436 0.943 20 0 FCADRL C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001593131514 993881722 /nfs/dbraw/zinc/88/17/22/993881722.db2.gz PSDJONKPTBXVNE-IUCAKERBSA-N -2 0 352.409 0.456 20 0 FCADRL C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001593131513 993881844 /nfs/dbraw/zinc/88/18/44/993881844.db2.gz PSDJONKPTBXVNE-DTWKUNHWSA-N -2 0 352.409 0.456 20 0 FCADRL COc1ccc(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)c(OC)c1C(=O)[O-] ZINC001599607558 993907374 /nfs/dbraw/zinc/90/73/74/993907374.db2.gz FZDAHQNFAIYUMR-DTORHVGOSA-N -2 0 373.383 0.886 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@H](C)[C@H]2C(=O)[O-])c(OC)c1C(=O)[O-] ZINC001599610038 993939580 /nfs/dbraw/zinc/93/95/80/993939580.db2.gz DZXLRDBBMLJFFO-UFBFGSQYSA-N -2 0 373.383 0.886 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)[C@](C)(OC)C2CC2)c(CC(=O)[O-])c1 ZINC001599611512 993960449 /nfs/dbraw/zinc/96/04/49/993960449.db2.gz LTXRIBXKRWPOBQ-MRXNPFEDSA-N -2 0 371.411 0.942 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)c(CC(=O)[O-])c1 ZINC001599611978 993966866 /nfs/dbraw/zinc/96/68/66/993966866.db2.gz BIDJUHZTMKWNDM-ONGXEEELSA-N -2 0 355.368 0.630 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)[O-])cc1C(=O)[O-] ZINC001599612631 993975559 /nfs/dbraw/zinc/97/55/59/993975559.db2.gz IVKQVNKNCHTSJM-CABZTGNLSA-N -2 0 373.383 0.552 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c(OC)c1C(=O)[O-] ZINC001599612913 993978818 /nfs/dbraw/zinc/97/88/18/993978818.db2.gz LTJDKPDBUVYXPC-HTQZYQBOSA-N -2 0 361.372 0.790 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)c(CC(=O)[O-])c1 ZINC001599613248 993982515 /nfs/dbraw/zinc/98/25/15/993982515.db2.gz QJTZCNMSUPRXRH-LBPRGKRZSA-N -2 0 357.384 0.854 20 0 FCADRL CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001598655314 994511200 /nfs/dbraw/zinc/51/12/00/994511200.db2.gz CAAXCUCWNSQFPY-UHFFFAOYSA-N -2 0 352.372 0.718 20 0 FCADRL CNC(=O)c1cncc(/C=C\C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])c1 ZINC001598662187 994614586 /nfs/dbraw/zinc/61/45/86/994614586.db2.gz VERTUWDQHKJQTL-YVDHIRPGSA-N -2 0 369.399 0.010 20 0 FCADRL COc1cccc(OC)c1CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-] ZINC001599681061 994981951 /nfs/dbraw/zinc/98/19/51/994981951.db2.gz YZIUAYYJNVYPEZ-UWVGGRQHSA-N -2 0 359.400 0.802 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)c1 ZINC001599682710 995008494 /nfs/dbraw/zinc/00/84/94/995008494.db2.gz DNNJQKCPCHGNEL-IZHWHUGBSA-N -2 0 355.412 0.487 20 0 FCADRL COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CCc1ccccc1C(=O)[O-] ZINC001598687502 995017913 /nfs/dbraw/zinc/01/79/13/995017913.db2.gz HZFGNIOUADIAOG-QWRGUYRKSA-N -2 0 371.411 0.961 20 0 FCADRL COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001598687977 995022944 /nfs/dbraw/zinc/02/29/44/995022944.db2.gz CETYBBRGRUJKRG-LKJMDQPVSA-N -2 0 359.356 0.635 20 0 FCADRL C[C@@](O)(CNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(=O)[O-] ZINC001593416941 995201297 /nfs/dbraw/zinc/20/12/97/995201297.db2.gz IPXBBSXZAQVCSC-LLVKDONJSA-N -2 0 355.727 0.291 20 0 FCADRL C[C@H](OC[C@@H]1CCCCO1)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001593606814 995787145 /nfs/dbraw/zinc/78/71/45/995787145.db2.gz YQOYNSLAIXJPIM-RHYQMDGZSA-N -2 0 351.421 0.516 20 0 FCADRL COC(=O)CCCO[N-]C(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC001598852417 996615636 /nfs/dbraw/zinc/61/56/36/996615636.db2.gz NYORLTULNCUXEC-UHFFFAOYSA-N -2 0 368.298 0.053 20 0 FCADRL COC(=O)CC[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1C)C(=O)[O-] ZINC001598858105 996654850 /nfs/dbraw/zinc/65/48/50/996654850.db2.gz HFRHXVZWRUEWAJ-JTQLQIEISA-N -2 0 359.356 0.378 20 0 FCADRL COC(=O)Cc1cccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)n1 ZINC001598873267 996748155 /nfs/dbraw/zinc/74/81/55/996748155.db2.gz LNCDDGZJLUJFTI-UHFFFAOYSA-N -2 0 351.340 0.691 20 0 FCADRL COC(=O)Cn1cnc([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)n1 ZINC001598874895 996756933 /nfs/dbraw/zinc/75/69/33/996756933.db2.gz FYUORVBFQMNODX-UHFFFAOYSA-N -2 0 354.344 0.091 20 0 FCADRL COC[C@H](NC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1)C(=O)[O-] ZINC001599175743 996840122 /nfs/dbraw/zinc/84/01/22/996840122.db2.gz VPKZGSICQHNBJL-VIFPVBQESA-N -2 0 370.305 0.778 20 0 FCADRL COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC001599488514 996897040 /nfs/dbraw/zinc/89/70/40/996897040.db2.gz NWGNYVKWNOAANJ-JOYOIKCWSA-N -2 0 364.354 0.901 20 0 FCADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])c1 ZINC001599282190 996909210 /nfs/dbraw/zinc/90/92/10/996909210.db2.gz VCZWMGJCJCLOFU-SNVBAGLBSA-N -2 0 367.326 0.918 20 0 FCADRL COC1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)CC1 ZINC001599079640 996968174 /nfs/dbraw/zinc/96/81/74/996968174.db2.gz UBJATVXZYVAORM-UHFFFAOYSA-N -2 0 357.384 0.948 20 0 FCADRL CC1(C)CN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])[C@H](C(=O)[O-])CO1 ZINC001593946711 996997533 /nfs/dbraw/zinc/99/75/33/996997533.db2.gz JHKPZFYSFPMTPW-VIFPVBQESA-N -2 0 361.347 0.777 20 0 FCADRL CC1(C)CN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)[C@@H](C(=O)[O-])CO1 ZINC001593947141 997001398 /nfs/dbraw/zinc/00/13/98/997001398.db2.gz PFBZCZSSJOYJQX-LLVKDONJSA-N -2 0 361.347 0.777 20 0 FCADRL COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)C1 ZINC001599194216 997184723 /nfs/dbraw/zinc/18/47/23/997184723.db2.gz IKRNEENEBRQVNI-OAHLLOKOSA-N -2 0 357.384 0.805 20 0 FCADRL COCc1nc(C(=O)[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)co1 ZINC001599299422 997205330 /nfs/dbraw/zinc/20/53/30/997205330.db2.gz RUDBUDBNMLXJDD-UHFFFAOYSA-N -2 0 372.330 0.706 20 0 FCADRL COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC001599196462 997226077 /nfs/dbraw/zinc/22/60/77/997226077.db2.gz ZRZZENKVQHFUNL-CQSZACIVSA-N -2 0 361.347 0.636 20 0 FCADRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)N(C)CCC(=O)[O-] ZINC001598916611 997481483 /nfs/dbraw/zinc/48/14/83/997481483.db2.gz VRMIOSGOORCASN-UHFFFAOYSA-N -2 0 365.385 0.637 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC001598924137 997624256 /nfs/dbraw/zinc/62/42/56/997624256.db2.gz VBWSLGDPBJJFQI-HNNXBMFYSA-N -2 0 371.367 0.657 20 0 FCADRL COc1ccc(CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])cc1OC ZINC001599548511 997965470 /nfs/dbraw/zinc/96/54/70/997965470.db2.gz GGGLZCDYRYCTBS-UWVGGRQHSA-N -2 0 359.400 0.802 20 0 FCADRL CO[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)[C@@](C)(C(=O)[O-])C1 ZINC001599136312 998050031 /nfs/dbraw/zinc/05/00/31/998050031.db2.gz DRFCYMYZTNVTPN-RMLUDKJBSA-N -2 0 361.347 0.777 20 0 FCADRL COC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)nn1C ZINC001598948787 998107707 /nfs/dbraw/zinc/10/77/07/998107707.db2.gz HQMBEFHJSVVNNQ-UHFFFAOYSA-N -2 0 353.356 0.847 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)c(C(=O)[O-])s1 ZINC001598950631 998144561 /nfs/dbraw/zinc/14/45/61/998144561.db2.gz CBWVWJJPONJQRC-MRVPVSSYSA-N -2 0 365.385 0.620 20 0 FCADRL COc1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)ccc1C ZINC001599355369 998170638 /nfs/dbraw/zinc/17/06/38/998170638.db2.gz PONPOQAJIKQLOF-UHFFFAOYSA-N -2 0 356.400 0.775 20 0 FCADRL COCCOCCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001599250983 998230075 /nfs/dbraw/zinc/23/00/75/998230075.db2.gz NEUYSWSRNKJPDV-UHFFFAOYSA-N -2 0 365.791 0.896 20 0 FCADRL COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)n1C ZINC001598960144 998314298 /nfs/dbraw/zinc/31/42/98/998314298.db2.gz UWFAXMUIXZVSSX-UHFFFAOYSA-N -2 0 370.339 0.530 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NC[C@@H](C(=O)[O-])C(C)C)c1 ZINC001598962560 998359836 /nfs/dbraw/zinc/35/98/36/998359836.db2.gz CWYVPVXZVCJEIW-LLVKDONJSA-N -2 0 373.383 0.807 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC001598963245 998371135 /nfs/dbraw/zinc/37/11/35/998371135.db2.gz IMZCRJGZECJBFD-LLVKDONJSA-N -2 0 371.367 0.799 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2C)c1 ZINC001599000553 998820326 /nfs/dbraw/zinc/82/03/26/998820326.db2.gz BKPUTLXXDNHTMW-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL COC(=O)c1conc1C(C)(C)NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001599012529 998910756 /nfs/dbraw/zinc/91/07/56/998910756.db2.gz FERYTLIJFLUCKO-UHFFFAOYSA-N -2 0 358.328 0.966 20 0 FCADRL COC(=O)c1sc(S(=O)(=O)NCCCC(=O)[O-])c(C(=O)[O-])c1C ZINC001599022887 998994833 /nfs/dbraw/zinc/99/48/33/998994833.db2.gz ZNMZPVZBADUTEH-UHFFFAOYSA-N -2 0 365.385 0.684 20 0 FCADRL CO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC001599036453 999087113 /nfs/dbraw/zinc/08/71/13/999087113.db2.gz QHJSTUNOFCBKSJ-ZCFIWIBFSA-N -2 0 366.189 0.987 20 0 FCADRL CO[C@H](C[C@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)C(=O)[O-])C1CC1 ZINC001599043117 999132017 /nfs/dbraw/zinc/13/20/17/999132017.db2.gz IJDMISOBGLBSRO-VHSXEESVSA-N -2 0 363.413 0.993 20 0 FCADRL CO[C@@H](CC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)C(F)(F)F ZINC001599043240 999132657 /nfs/dbraw/zinc/13/26/57/999132657.db2.gz KKRTXJAERXGVQM-QMMMGPOBSA-N -2 0 362.326 0.111 20 0 FCADRL CO[C@H](CNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-])CC(=O)[O-] ZINC001599055521 999226999 /nfs/dbraw/zinc/22/69/99/999226999.db2.gz OMXHOYBZUVXBJZ-LURJTMIESA-N -2 0 352.752 0.201 20 0 FCADRL C[C@H]1CCN(C(=O)C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C[C@@H]1C(=O)[O-] ZINC001594393704 999483496 /nfs/dbraw/zinc/48/34/96/999483496.db2.gz PVZALFUICCQRBN-NHYWBVRUSA-N -2 0 374.393 0.839 20 0 FCADRL C[C@@H]1CN(C(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CC[C@H]1C(=O)[O-] ZINC001594453088 999654376 /nfs/dbraw/zinc/65/43/76/999654376.db2.gz DMKQOQOPHRPQNN-UTUOFQBUSA-N -2 0 352.387 0.269 20 0 FCADRL O=C([O-])CCC[C@@H](NS(=O)(=O)CCOCc1ccccc1)C(=O)[O-] ZINC000297055837 214377865 /nfs/dbraw/zinc/37/78/65/214377865.db2.gz VTRQWKSAQCCNBB-CYBMUJFWSA-N -2 0 359.400 0.831 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 ZINC000264889739 210009360 /nfs/dbraw/zinc/00/93/60/210009360.db2.gz YXDRJGXVROOIKP-UHFFFAOYSA-N -2 0 367.383 0.874 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000281717340 212754365 /nfs/dbraw/zinc/75/43/65/212754365.db2.gz CVTBCCMDJDDDAM-CYBMUJFWSA-N -2 0 371.396 0.631 20 0 FCADRL CC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000276290367 212205571 /nfs/dbraw/zinc/20/55/71/212205571.db2.gz TXOZBQKKBVRKND-AWEZNQCLSA-N -2 0 368.371 0.454 20 0 FCADRL O=C([O-])CCCNC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000414630078 245307425 /nfs/dbraw/zinc/30/74/25/245307425.db2.gz SNSPENKDEGKSAB-TZMCWYRMSA-N -2 0 363.370 0.577 20 0 FCADRL O=C([N-]OCc1cccnc1)[C@H]1CC[C@H](C(=O)[N-]OCc2cccnc2)O1 ZINC000275295333 212001941 /nfs/dbraw/zinc/00/19/41/212001941.db2.gz HDJQAYHWHXHHQI-HZPDHXFCSA-N -2 0 372.381 0.820 20 0 FCADRL C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C3)ccc2O1 ZINC000274949340 211935180 /nfs/dbraw/zinc/93/51/80/211935180.db2.gz ADNIUBQNFVVPEA-OASPWFOLSA-N -2 0 369.395 0.806 20 0 FCADRL CC1(C)Cc2cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])ccc2O1 ZINC000274920262 211931083 /nfs/dbraw/zinc/93/10/83/211931083.db2.gz BBNHWVMKQVUCOP-JTQLQIEISA-N -2 0 357.384 0.854 20 0 FCADRL COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1CC(=O)[O-] ZINC000274350576 211829765 /nfs/dbraw/zinc/82/97/65/211829765.db2.gz KMNZPOQRWZDVFA-SNVBAGLBSA-N -2 0 357.384 0.808 20 0 FCADRL COCCOCCS(=O)(=O)[N-]c1cc(C(=O)[O-])cc(OC)c1OC ZINC000270005543 211138205 /nfs/dbraw/zinc/13/82/05/211138205.db2.gz ZOQPCCDBFCLSCC-UHFFFAOYSA-N -2 0 363.388 0.807 20 0 FCADRL Cc1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])ccc1Br ZINC000105642280 208203702 /nfs/dbraw/zinc/20/37/02/208203702.db2.gz DBWPWUGMYNLIDU-SECBINFHSA-N -2 0 366.189 0.964 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc1 ZINC000278548547 488881328 /nfs/dbraw/zinc/88/13/28/488881328.db2.gz AFIZJDKYJHBXFU-LLVKDONJSA-N -2 0 359.356 0.460 20 0 FCADRL CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000320023278 488899225 /nfs/dbraw/zinc/89/92/25/488899225.db2.gz JAODUSGDFBJRPY-UHFFFAOYSA-N -2 0 359.385 0.422 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cccc(-c3nnnn3C)c2)cc1C(=O)[O-] ZINC000326951234 488917199 /nfs/dbraw/zinc/91/71/99/488917199.db2.gz HHYWEDBOMXNFKG-UHFFFAOYSA-N -2 0 362.371 0.715 20 0 FCADRL NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000015243078 487578115 /nfs/dbraw/zinc/57/81/15/487578115.db2.gz VWFIBNJIZCPKIT-UHFFFAOYSA-N -2 0 362.410 0.895 20 0 FCADRL COCCCn1c(=O)c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[n-]c1=S ZINC000269412313 488500820 /nfs/dbraw/zinc/50/08/20/488500820.db2.gz XJDNVNPCJFRGRH-VIFPVBQESA-N -2 0 365.411 0.925 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)OC)c2)cc1C(=O)[O-] ZINC000271073936 488518986 /nfs/dbraw/zinc/51/89/86/488518986.db2.gz OXDLAYHJXHQOJT-UHFFFAOYSA-N -2 0 356.360 0.377 20 0 FCADRL CCN(C)C(=O)c1cccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000554530777 491208123 /nfs/dbraw/zinc/20/81/23/491208123.db2.gz GXKZRIFAIDZLHB-LBPRGKRZSA-N -2 0 372.399 0.375 20 0 FCADRL Cc1[nH]nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1C(N)=O ZINC000272444588 488581392 /nfs/dbraw/zinc/58/13/92/488581392.db2.gz UNGKRAOXYIJYHC-UHFFFAOYSA-N -2 0 364.383 0.805 20 0 FCADRL COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000263157055 488605699 /nfs/dbraw/zinc/60/56/99/488605699.db2.gz JMQCMGSYMURNFV-KRWDZBQOSA-N -2 0 361.354 0.614 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)[O-] ZINC000274914736 488743115 /nfs/dbraw/zinc/74/31/15/488743115.db2.gz LMEGSQDIKSXYNB-NSHDSACASA-N -2 0 356.356 0.168 20 0 FCADRL CC(=O)N1c2ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc2C[C@@H]1C ZINC000274937976 488745504 /nfs/dbraw/zinc/74/55/04/488745504.db2.gz QJIXHCFYGKQGJL-QPUJVOFHSA-N -2 0 370.383 0.190 20 0 FCADRL COC(=O)c1csc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000275033586 488755141 /nfs/dbraw/zinc/75/51/41/488755141.db2.gz FZGRXCWAAWHKGY-ZETCQYMHSA-N -2 0 351.358 0.131 20 0 FCADRL CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000275045847 488756309 /nfs/dbraw/zinc/75/63/09/488756309.db2.gz RSUMOURLPQGLMW-VIFPVBQESA-N -2 0 356.360 0.214 20 0 FCADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000275054800 488757044 /nfs/dbraw/zinc/75/70/44/488757044.db2.gz XUZLMZOKQIBEJS-VIFPVBQESA-N -2 0 363.775 0.996 20 0 FCADRL COC(=O)c1c(F)cccc1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000275088730 488760730 /nfs/dbraw/zinc/76/07/30/488760730.db2.gz OMNPVSMJNUESHI-QMMMGPOBSA-N -2 0 363.319 0.209 20 0 FCADRL CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000275105138 488761822 /nfs/dbraw/zinc/76/18/22/488761822.db2.gz MDSUOKYPYSSJBF-AWEZNQCLSA-N -2 0 368.371 0.311 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000275133328 488764854 /nfs/dbraw/zinc/76/48/54/488764854.db2.gz IXUOIFYQQSROLI-GFCCVEGCSA-N -2 0 367.330 0.088 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)C[C@H]1C(=O)[O-] ZINC000275162378 488767536 /nfs/dbraw/zinc/76/75/36/488767536.db2.gz UFRNGUGLPHKIJL-VHSXEESVSA-N -2 0 357.340 0.211 20 0 FCADRL COC(=O)CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000275178628 488769450 /nfs/dbraw/zinc/76/94/50/488769450.db2.gz DBFKTMRGKANHML-SECBINFHSA-N -2 0 355.290 0.789 20 0 FCADRL C[C@H]1CCC[C@H](C(=O)[O-])N1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000275202668 488772210 /nfs/dbraw/zinc/77/22/10/488772210.db2.gz ZCXBMCZNOIRZRK-OIBJUYFYSA-N -2 0 368.371 0.452 20 0 FCADRL CCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1 ZINC000275204512 488772511 /nfs/dbraw/zinc/77/25/11/488772511.db2.gz ZGTORGJBDXLPED-CHWSQXEVSA-N -2 0 357.384 0.881 20 0 FCADRL COCc1cc(Cl)cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000290613240 489153208 /nfs/dbraw/zinc/15/32/08/489153208.db2.gz JRSZHCMQPGGLAQ-JTQLQIEISA-N -2 0 351.764 0.693 20 0 FCADRL COc1cc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cc(C(=O)[O-])c1OC ZINC000298839683 489372576 /nfs/dbraw/zinc/37/25/76/489372576.db2.gz GSERZCDQHFIGKZ-SECBINFHSA-N -2 0 373.383 0.887 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cn3c(n2)CCCC3)C[C@@H]1C(=O)[O-] ZINC000372260969 489564468 /nfs/dbraw/zinc/56/44/68/489564468.db2.gz KQBKNEHCKQUZAN-ZJUUUORDSA-N -2 0 357.388 0.015 20 0 FCADRL C[C@@H](CC(=O)[O-])NC(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C)c1 ZINC000427763941 489620054 /nfs/dbraw/zinc/62/00/54/489620054.db2.gz VEYJQCPTQBFLPN-QMMMGPOBSA-N -2 0 372.428 0.875 20 0 FCADRL CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000417369320 489650104 /nfs/dbraw/zinc/65/01/04/489650104.db2.gz QRUZEIZIWORJCR-YIYPIFLZSA-N -2 0 374.393 0.886 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)o1 ZINC000430981235 489783096 /nfs/dbraw/zinc/78/30/96/489783096.db2.gz JDTWQPURDZVMND-UHFFFAOYSA-N -2 0 365.327 0.548 20 0 FCADRL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(C(N)=O)n1 ZINC000430989619 489784279 /nfs/dbraw/zinc/78/42/79/489784279.db2.gz TXGYDGNFSUFQDM-UHFFFAOYSA-N -2 0 352.372 0.809 20 0 FCADRL COC(=O)Cn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1C ZINC000475825960 489852355 /nfs/dbraw/zinc/85/23/55/489852355.db2.gz IFIBIBUYTLIWLG-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cn1 ZINC000433505009 489889861 /nfs/dbraw/zinc/88/98/61/489889861.db2.gz CHWORBDSSLHEPO-UHFFFAOYSA-N -2 0 372.380 0.690 20 0 FCADRL CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000479180344 490071628 /nfs/dbraw/zinc/07/16/28/490071628.db2.gz GNJQZAZYYXYOSV-JTQLQIEISA-N -2 0 364.445 0.326 20 0 FCADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)cc1C(=O)[O-] ZINC000479273110 490079420 /nfs/dbraw/zinc/07/94/20/490079420.db2.gz SIOBMJHWCKJPQD-UHFFFAOYSA-N -2 0 372.790 0.829 20 0 FCADRL Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1C ZINC000391809076 490144816 /nfs/dbraw/zinc/14/48/16/490144816.db2.gz IFWDDOCPALLEQX-SECBINFHSA-N -2 0 360.344 0.808 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cc2c1OCCO2 ZINC000507026033 490163105 /nfs/dbraw/zinc/16/31/05/490163105.db2.gz LLJYOOWCTZBHDZ-SECBINFHSA-N -2 0 371.367 0.641 20 0 FCADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(=O)N(C)C)c1 ZINC000521527325 490272550 /nfs/dbraw/zinc/27/25/50/490272550.db2.gz OKDWCCQWTPWHOY-UHFFFAOYSA-N -2 0 372.428 0.840 20 0 FCADRL COCCOc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1C ZINC000547547728 490312609 /nfs/dbraw/zinc/31/26/09/490312609.db2.gz SJGGLUDMDAUIFY-LLVKDONJSA-N -2 0 361.372 0.226 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1cnn(-c2ccccc2F)c1)C(=O)[O-] ZINC000547873047 490370283 /nfs/dbraw/zinc/37/02/83/490370283.db2.gz AVYCDTOYGLNHCG-JTQLQIEISA-N -2 0 357.319 0.218 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]3C2)C[C@@H]1C(=O)[O-] ZINC000548251010 490450733 /nfs/dbraw/zinc/45/07/33/490450733.db2.gz CBVABRBOXMGIKR-DGAVXFQQSA-N -2 0 374.459 0.851 20 0 FCADRL C[C@H]1C(=O)Nc2ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc21 ZINC000548267628 490453818 /nfs/dbraw/zinc/45/38/18/490453818.db2.gz OIFRXWMDSVIYFW-GLEZIHRCSA-N -2 0 370.383 0.586 20 0 FCADRL COC(=O)c1ccc(C)c(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000548267374 490453995 /nfs/dbraw/zinc/45/39/95/490453995.db2.gz DQAOSXMOQWJWAD-HNNXBMFYSA-N -2 0 373.383 0.626 20 0 FCADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)C1 ZINC000422683557 490454186 /nfs/dbraw/zinc/45/41/86/490454186.db2.gz CUCUOEANYTWMOQ-BDAKNGLRSA-N -2 0 354.432 0.765 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000548536560 490500237 /nfs/dbraw/zinc/50/02/37/490500237.db2.gz KMPCISJJGRGXHE-UHFFFAOYSA-N -2 0 357.319 0.171 20 0 FCADRL CN(C)C(=O)c1cccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000548595790 490515655 /nfs/dbraw/zinc/51/56/55/490515655.db2.gz XJYDKEOWIPWPCS-OAHLLOKOSA-N -2 0 372.399 0.232 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc3c2OCO3)C1 ZINC000549017337 490560273 /nfs/dbraw/zinc/56/02/73/490560273.db2.gz LVQSQNLWODPAOH-AWEZNQCLSA-N -2 0 357.340 0.355 20 0 FCADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cnc(OC)c(C(N)=O)c2)c1 ZINC000537197152 490659832 /nfs/dbraw/zinc/65/98/32/490659832.db2.gz MWBMSYGEUWMLRI-UHFFFAOYSA-N -2 0 353.356 0.704 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cc(OC(F)F)n(C)n2)cc1C(=O)[O-] ZINC000488356648 490756821 /nfs/dbraw/zinc/75/68/21/490756821.db2.gz ZMVZZKRGZDCVFL-UHFFFAOYSA-N -2 0 350.303 0.859 20 0 FCADRL CO[C@H](C)CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OCC(=O)N(C)C ZINC000530147348 490891057 /nfs/dbraw/zinc/89/10/57/490891057.db2.gz UUTLOMJCLDBEMO-SNVBAGLBSA-N -2 0 374.415 0.628 20 0 FCADRL N=c1nc(N2CCCN(c3ccc(C(=O)[O-])cn3)CC2)nc2[nH][nH]cc1-2 ZINC000574759934 491518507 /nfs/dbraw/zinc/51/85/07/491518507.db2.gz RYTVWZZEBCUZHH-UHFFFAOYSA-N -2 0 354.374 0.527 20 0 FCADRL CN(CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000575978348 491573385 /nfs/dbraw/zinc/57/33/85/491573385.db2.gz GLFKWVKTMSBYAI-UHFFFAOYSA-N -2 0 357.262 0.989 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](C)[C@@H](C(=O)[O-])C(C)C ZINC000576390071 491611077 /nfs/dbraw/zinc/61/10/77/491611077.db2.gz GJEOAEQYAIQXJO-YUMQZZPRSA-N -2 0 350.418 0.953 20 0 FCADRL CCS(=O)(=O)NCCS(=O)(=O)Nc1cccc(C(=O)[O-])c1F ZINC000577456860 491623820 /nfs/dbraw/zinc/62/38/20/491623820.db2.gz YZMIPUMTIJFUBZ-UHFFFAOYSA-N -2 0 354.381 0.205 20 0 FCADRL C[C@H]1Cc2cc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])ccc2O1 ZINC000579067344 491690225 /nfs/dbraw/zinc/69/02/25/491690225.db2.gz YKVKCOSAHWXBHJ-VFZGTOFNSA-N -2 0 357.384 0.854 20 0 FCADRL O=S(=O)([N-]c1cn[nH]c1)c1ccc(S(=O)(=O)[N-]c2cn[nH]c2)cc1 ZINC000579537769 491699923 /nfs/dbraw/zinc/69/99/23/491699923.db2.gz APTPUBCULHSFSR-UHFFFAOYSA-N -2 0 368.400 0.734 20 0 FCADRL COc1ccc([C@@H]([N-]S(=O)(=O)c2c(C)onc2N)C(=O)[O-])c(OC)c1 ZINC000580771904 491745132 /nfs/dbraw/zinc/74/51/32/491745132.db2.gz NRSJEECXRJGWDR-LLVKDONJSA-N -2 0 371.371 0.687 20 0 FCADRL O=C([O-])c1coc(N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)n1 ZINC000582065390 491796382 /nfs/dbraw/zinc/79/63/82/491796382.db2.gz KQCMTBUFXSMYSQ-UHFFFAOYSA-N -2 0 372.325 0.328 20 0 FCADRL C[C@@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@@H]1C(=O)[O-] ZINC000583935078 491855029 /nfs/dbraw/zinc/85/50/29/491855029.db2.gz NOGICAYISIFHKP-XCBNKYQSSA-N -2 0 368.371 0.167 20 0 FCADRL Cn1[n-]c(C(=O)N[C@H]2CCCC[C@@H]2NC(=O)c2cc(=O)n(C)[n-]2)cc1=O ZINC000616784149 492143521 /nfs/dbraw/zinc/14/35/21/492143521.db2.gz VUWKAFDGNXCAPX-UWVGGRQHSA-N -2 0 362.390 0.036 20 0 FCADRL NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000607613252 492147808 /nfs/dbraw/zinc/14/78/08/492147808.db2.gz BNTHUWHEYSUKLW-UHFFFAOYSA-N -2 0 374.371 0.972 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccnn1CCc1ccccc1 ZINC000621243210 492362919 /nfs/dbraw/zinc/36/29/19/492362919.db2.gz PFUDGNKQVZHXRC-UHFFFAOYSA-N -2 0 367.383 0.286 20 0 FCADRL COc1cccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)c1F ZINC000656159635 492558960 /nfs/dbraw/zinc/55/89/60/492558960.db2.gz ZPCVIARAIMGYGJ-AWEZNQCLSA-N -2 0 361.347 0.774 20 0 FCADRL C[C@H](COC1CCCC1)CS(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000650392856 492637699 /nfs/dbraw/zinc/63/76/99/492637699.db2.gz LACSCHLDUCRRML-ZYHUDNBSSA-N -2 0 351.421 0.819 20 0 FCADRL O=C([O-])c1cccc(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1 ZINC000653311347 493092141 /nfs/dbraw/zinc/09/21/41/493092141.db2.gz QUKIZYSYRRJHTE-CYBMUJFWSA-N -2 0 360.366 0.923 20 0 FCADRL O=C([O-])CN(C1CCC1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000653495595 493155558 /nfs/dbraw/zinc/15/55/58/493155558.db2.gz VMKQRLJNDBAYOY-UHFFFAOYSA-N -2 0 354.344 0.064 20 0 FCADRL O=C([O-])Cc1ccc(C[C@H](NS(=O)(=O)[C@H]2CCOC2)C(=O)[O-])cc1 ZINC000684562528 493419070 /nfs/dbraw/zinc/41/90/70/493419070.db2.gz ZUBUHRCMHSHMQD-STQMWFEESA-N -2 0 357.384 0.018 20 0 FCADRL CC(C)CN(C)S(=O)(=O)N[C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684561414 493419084 /nfs/dbraw/zinc/41/90/84/493419084.db2.gz BJAQHUQGYGWONQ-CQSZACIVSA-N -2 0 372.443 0.732 20 0 FCADRL O=C([O-])Cc1ccc(C[C@H](NS(=O)(=O)C[C@H]2CCCO2)C(=O)[O-])cc1 ZINC000684561538 493419208 /nfs/dbraw/zinc/41/92/08/493419208.db2.gz GGAMNRNGHMUXFA-KGLIPLIRSA-N -2 0 371.411 0.408 20 0 FCADRL O=C([O-])Cc1ccc(C[C@@H](NS(=O)(=O)N2CCCCC2)C(=O)[O-])cc1 ZINC000684562184 493419250 /nfs/dbraw/zinc/41/92/50/493419250.db2.gz QGHQSFJOURTFNK-CQSZACIVSA-N -2 0 370.427 0.630 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cn1 ZINC000436805297 536379997 /nfs/dbraw/zinc/37/99/97/536379997.db2.gz DRIZYEGEODFDGX-UHFFFAOYSA-N -2 0 369.355 0.569 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)Cc1ccccc1Br)C(=O)[O-] ZINC000548768941 547063771 /nfs/dbraw/zinc/06/37/71/547063771.db2.gz CSRRKZKOFUNWEU-SECBINFHSA-N -2 0 366.189 0.796 20 0 FCADRL O=C([O-])CSCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000740486869 597106052 /nfs/dbraw/zinc/10/60/52/597106052.db2.gz NGDVSPFVSNOZLP-UHFFFAOYSA-N -2 0 358.397 0.194 20 0 FCADRL COCCN(CC(=O)[O-])C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000818536996 597403253 /nfs/dbraw/zinc/40/32/53/597403253.db2.gz PCPYWYKKRKJOBQ-UHFFFAOYSA-N -2 0 351.384 0.245 20 0 FCADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]C(=O)CSCC(=O)[O-] ZINC000821216687 597835877 /nfs/dbraw/zinc/83/58/77/597835877.db2.gz LGTMJCFMRGLGDV-UHFFFAOYSA-N -2 0 363.461 0.779 20 0 FCADRL NS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000319546774 599735682 /nfs/dbraw/zinc/73/56/82/599735682.db2.gz CVRDDUVPVXOXQH-UHFFFAOYSA-N -2 0 360.369 0.567 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)cc2)o1 ZINC000325119785 599737352 /nfs/dbraw/zinc/73/73/52/599737352.db2.gz SSLQKYSOPPWZKG-UHFFFAOYSA-N -2 0 354.340 0.501 20 0 FCADRL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c1 ZINC000737359792 599739092 /nfs/dbraw/zinc/73/90/92/599739092.db2.gz DCXNUCYRRDBWNC-UHFFFAOYSA-N -2 0 352.372 0.470 20 0 FCADRL CNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000737541325 599739470 /nfs/dbraw/zinc/73/94/70/599739470.db2.gz YGGGPFWPAINURV-UHFFFAOYSA-N -2 0 354.340 0.903 20 0 FCADRL CCn1c(C)nnc1S(=O)(=O)C=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C ZINC000737293403 599882453 /nfs/dbraw/zinc/88/24/53/599882453.db2.gz AXJPHFXTHYWDNE-UHFFFAOYSA-N -2 0 354.388 0.906 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2nc(SC)n[nH]2)c1 ZINC000737681693 599883219 /nfs/dbraw/zinc/88/32/19/599883219.db2.gz KFWAKTVEWOZUTH-UHFFFAOYSA-N -2 0 372.384 0.812 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)NCCSCC(=O)[O-])cc2[n-]c1=S ZINC000739013799 599890395 /nfs/dbraw/zinc/89/03/95/599890395.db2.gz KCCLYRCOSSUHJD-UHFFFAOYSA-N -2 0 353.425 0.770 20 0 FCADRL COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-] ZINC000737723374 599910968 /nfs/dbraw/zinc/91/09/68/599910968.db2.gz JAWKKKCZMZGVIJ-UHFFFAOYSA-N -2 0 364.401 0.730 20 0 FCADRL O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1nnc([N-]S(=O)(=O)c2ccccc2)s1 ZINC000739551903 600113937 /nfs/dbraw/zinc/11/39/37/600113937.db2.gz FFUGKDJHGUKZIC-RKDXNWHRSA-N -2 0 368.396 0.998 20 0 FCADRL O=C([O-])[C@@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)Cc1cccc(F)c1 ZINC000739355070 600153700 /nfs/dbraw/zinc/15/37/00/600153700.db2.gz DONUHWXOCDNYGN-LLVKDONJSA-N -2 0 373.344 0.270 20 0 FCADRL Cc1nc(-c2cnn(C)c2)sc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000738839655 600203600 /nfs/dbraw/zinc/20/36/00/600203600.db2.gz QMSRATBDSAZUKH-UHFFFAOYSA-N -2 0 372.428 0.776 20 0 FCADRL CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000737123218 600232124 /nfs/dbraw/zinc/23/21/24/600232124.db2.gz XTWNZNPAIJKKQY-UHFFFAOYSA-N -2 0 352.372 0.967 20 0 FCADRL COC(=O)COc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cc1 ZINC000737623509 600232187 /nfs/dbraw/zinc/23/21/87/600232187.db2.gz VNBUQRRTJPUTJO-UHFFFAOYSA-N -2 0 369.355 0.769 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)c(C)c2)c1C(=O)[O-] ZINC000738462711 600232189 /nfs/dbraw/zinc/23/21/89/600232189.db2.gz SYZQHGMJSYNQCY-UHFFFAOYSA-N -2 0 363.359 0.501 20 0 FCADRL CNC(=O)COc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cc1 ZINC000737539292 600236521 /nfs/dbraw/zinc/23/65/21/600236521.db2.gz CBXFRISIHCPVBP-UHFFFAOYSA-N -2 0 368.371 0.342 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)c2ccc3nncn3c2)cc1 ZINC000740134158 600242126 /nfs/dbraw/zinc/24/21/26/600242126.db2.gz DKQIVDXEJFPAIS-UHFFFAOYSA-N -2 0 360.351 0.687 20 0 FCADRL Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)cn12 ZINC000738936544 600242291 /nfs/dbraw/zinc/24/22/91/600242291.db2.gz HJJWTVYOMBRMGW-UHFFFAOYSA-N -2 0 366.380 0.916 20 0 FCADRL CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)N1CCCC1=O ZINC000736347774 600242676 /nfs/dbraw/zinc/24/26/76/600242676.db2.gz MBTAGTCBNBQVTN-CQSZACIVSA-N -2 0 368.411 0.837 20 0 FCADRL CC(=O)c1[nH]c(CC(=O)[N-]S(=O)(=O)c2ccccn2)c(C(=O)[O-])c1C ZINC000736175425 600246219 /nfs/dbraw/zinc/24/62/19/600246219.db2.gz AXNSTBSPPJXZIJ-UHFFFAOYSA-N -2 0 365.367 0.667 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC000735459705 600391905 /nfs/dbraw/zinc/39/19/05/600391905.db2.gz ANAFJCHSSKLSPA-UHFFFAOYSA-N -2 0 372.790 0.911 20 0 FCADRL CCOCCS(=O)(=O)[N-]C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC000737178120 600422720 /nfs/dbraw/zinc/42/27/20/600422720.db2.gz PWLUMELRMLEEEA-UHFFFAOYSA-N -2 0 360.388 0.249 20 0 FCADRL Cc1nc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])nn1-c1ccccc1 ZINC000738842696 600459726 /nfs/dbraw/zinc/45/97/26/600459726.db2.gz NSRBURUOMQDQPC-UHFFFAOYSA-N -2 0 352.372 0.500 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000739695087 600460641 /nfs/dbraw/zinc/46/06/41/600460641.db2.gz DBEXQNAGQNFROY-CYBMUJFWSA-N -2 0 368.411 0.602 20 0 FCADRL C[C@@H]1Oc2c(cccc2C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])NC1=O ZINC000736832941 600462108 /nfs/dbraw/zinc/46/21/08/600462108.db2.gz CDRJVZVTWHLORI-QMMMGPOBSA-N -2 0 356.356 0.330 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000739695889 600462124 /nfs/dbraw/zinc/46/21/24/600462124.db2.gz SWEGXPGLRUIPIZ-NSHDSACASA-N -2 0 372.399 0.585 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccn(-c2ccccc2F)n1 ZINC000739696388 600466484 /nfs/dbraw/zinc/46/64/84/600466484.db2.gz USFLFPOMFRGCKJ-UHFFFAOYSA-N -2 0 355.347 0.936 20 0 FCADRL CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])cc1 ZINC000324933481 600515326 /nfs/dbraw/zinc/51/53/26/600515326.db2.gz OERWEXYXIWFFTN-UHFFFAOYSA-N -2 0 371.396 0.489 20 0 FCADRL COc1c(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c(C)nn1C ZINC000737839350 600520633 /nfs/dbraw/zinc/52/06/33/600520633.db2.gz KVRJBWWROKVUOD-UHFFFAOYSA-N -2 0 359.385 0.616 20 0 FCADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cn1 ZINC000324572582 600529264 /nfs/dbraw/zinc/52/92/64/600529264.db2.gz UJYXWKKOUKGILH-UHFFFAOYSA-N -2 0 352.328 0.099 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c(C)c1 ZINC000737701645 600529721 /nfs/dbraw/zinc/52/97/21/600529721.db2.gz FYIZMVVIWONUBR-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000739691642 674487915 /nfs/dbraw/zinc/48/79/15/674487915.db2.gz JARWOEBCTZJPLI-UHFFFAOYSA-N -2 0 355.372 0.141 20 0 FCADRL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1 ZINC000737631181 600629547 /nfs/dbraw/zinc/62/95/47/600629547.db2.gz QZEXSKYQASJMPG-UHFFFAOYSA-N -2 0 353.356 0.484 20 0 FCADRL CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000319482756 600673660 /nfs/dbraw/zinc/67/36/60/600673660.db2.gz BRKRMUXXHBMCFT-UHFFFAOYSA-N -2 0 359.385 0.172 20 0 FCADRL Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000326996216 600673921 /nfs/dbraw/zinc/67/39/21/600673921.db2.gz OGNPIXBDOSGBNG-UHFFFAOYSA-N -2 0 363.359 0.053 20 0 FCADRL COC(=O)COc1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000831185325 600674503 /nfs/dbraw/zinc/67/45/03/600674503.db2.gz RUBCSKSPKAWFHD-UHFFFAOYSA-N -2 0 369.355 0.320 20 0 FCADRL NC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833084968 600675245 /nfs/dbraw/zinc/67/52/45/600675245.db2.gz CLOXTRGYGAIPEP-UHFFFAOYSA-N -2 0 358.763 0.521 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)cn1 ZINC000833274088 600686100 /nfs/dbraw/zinc/68/61/00/600686100.db2.gz OHZGIBWQFDQILK-UHFFFAOYSA-N -2 0 350.356 0.653 20 0 FCADRL CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000737542238 600784173 /nfs/dbraw/zinc/78/41/73/600784173.db2.gz BQJKNDZJMCWZTL-UHFFFAOYSA-N -2 0 352.372 0.885 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])ccc1-n1cncn1 ZINC000832864441 600947090 /nfs/dbraw/zinc/94/70/90/600947090.db2.gz FWIOZRBEMZETBT-UHFFFAOYSA-N -2 0 352.372 0.500 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cc(N2CCOC2=O)ccc1F ZINC000833227739 600948587 /nfs/dbraw/zinc/94/85/87/600948587.db2.gz BOQGZLRWHVRTBJ-UHFFFAOYSA-N -2 0 374.346 0.707 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)ccc1C(=O)[O-] ZINC000832904429 600984125 /nfs/dbraw/zinc/98/41/25/600984125.db2.gz MZMXFJGPHNPOJA-UHFFFAOYSA-N -2 0 367.387 0.174 20 0 FCADRL COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n1 ZINC000831192333 600986256 /nfs/dbraw/zinc/98/62/56/600986256.db2.gz GZALRPUGSJTARB-UHFFFAOYSA-N -2 0 354.344 0.259 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)n1 ZINC000833276613 600987084 /nfs/dbraw/zinc/98/70/84/600987084.db2.gz KFTOFZXGSYMRKX-UHFFFAOYSA-N -2 0 373.350 0.882 20 0 FCADRL Cc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1C(=O)N(C)C ZINC000832950084 601251065 /nfs/dbraw/zinc/25/10/65/601251065.db2.gz AFSCZGKWZFKPAG-UHFFFAOYSA-N -2 0 366.399 0.779 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000390309695 601253746 /nfs/dbraw/zinc/25/37/46/601253746.db2.gz CDGOKTCABZZNSU-UHFFFAOYSA-N -2 0 360.417 0.480 20 0 FCADRL COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1 ZINC000831125184 601326053 /nfs/dbraw/zinc/32/60/53/601326053.db2.gz YSKPFMPKTODGIS-DAXSKMNVSA-N -2 0 365.367 0.955 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2cncc(Br)c2)n1 ZINC000833276981 601362072 /nfs/dbraw/zinc/36/20/72/601362072.db2.gz UUWHMWAXCIEWHQ-UHFFFAOYSA-N -2 0 362.165 0.321 20 0 FCADRL Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833042734 601598533 /nfs/dbraw/zinc/59/85/33/601598533.db2.gz UEDNHMMTSDQEDN-UHFFFAOYSA-N -2 0 357.369 0.002 20 0 FCADRL COCCN(C)S(=O)(=O)[N-]C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000831710174 601770259 /nfs/dbraw/zinc/77/02/59/601770259.db2.gz PNDSKBDCVVSWCH-UHFFFAOYSA-N -2 0 374.415 0.320 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1)c1ccccc1F ZINC000831083676 601811344 /nfs/dbraw/zinc/81/13/44/601811344.db2.gz AKLOKFPEQNIPSF-ZDUSSCGKSA-N -2 0 371.346 0.299 20 0 FCADRL Cn1nnnc1-c1cccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000833061446 601832841 /nfs/dbraw/zinc/83/28/41/601832841.db2.gz DPLNHDCOUCCVOL-UHFFFAOYSA-N -2 0 366.384 0.833 20 0 FCADRL CCOC[C@H](C(=O)[O-])N(C)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000829973325 602077083 /nfs/dbraw/zinc/07/70/83/602077083.db2.gz WCKLEPDIEPDVDG-GFCCVEGCSA-N -2 0 365.411 0.784 20 0 FCADRL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1csnc1C(=O)[O-] ZINC000829873838 602155141 /nfs/dbraw/zinc/15/51/41/602155141.db2.gz VAJDPLZEMYZVSB-UHFFFAOYSA-N -2 0 360.373 0.850 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cn1 ZINC000738033181 603397911 /nfs/dbraw/zinc/39/79/11/603397911.db2.gz XENGCHWNKRXCRT-UHFFFAOYSA-N -2 0 354.344 0.947 20 0 FCADRL COC(=O)c1cc(NC(=O)C(=O)[N-]OCC(F)(F)F)ccc1C(=O)[O-] ZINC000831258198 604424789 /nfs/dbraw/zinc/42/47/89/604424789.db2.gz QQFQLABSHXSTTL-UHFFFAOYSA-N -2 0 364.232 0.720 20 0 FCADRL CNC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833699856 604688179 /nfs/dbraw/zinc/68/81/79/604688179.db2.gz BKGCXQFGAOARDG-UHFFFAOYSA-N -2 0 365.367 0.949 20 0 FCADRL CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000828557843 604813601 /nfs/dbraw/zinc/81/36/01/604813601.db2.gz NUOHTFWROCUCPI-MRVPVSSYSA-N -2 0 360.413 0.510 20 0 FCADRL C[C@@H](NS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1)C(=O)[O-] ZINC000833739211 604882685 /nfs/dbraw/zinc/88/26/85/604882685.db2.gz RRXCWVKLTDLTQC-RXMQYKEDSA-N -2 0 352.162 0.899 20 0 FCADRL CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833737914 604899821 /nfs/dbraw/zinc/89/98/21/604899821.db2.gz NMKDFXRJGGCYTI-ZDUSSCGKSA-N -2 0 356.400 0.356 20 0 FCADRL CCS(=O)(=O)c1cccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1 ZINC000833665965 605008195 /nfs/dbraw/zinc/00/81/95/605008195.db2.gz MVCIALDKOWBEHT-UHFFFAOYSA-N -2 0 363.413 0.405 20 0 FCADRL CC(=O)c1[nH]c(CC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c(C(=O)[O-])c1C ZINC000833399654 605143061 /nfs/dbraw/zinc/14/30/61/605143061.db2.gz ADNKJUHAQXFJGO-SNVBAGLBSA-N -2 0 360.374 0.686 20 0 FCADRL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-])cc1 ZINC000833699942 605231624 /nfs/dbraw/zinc/23/16/24/605231624.db2.gz DLWMPXBYZWJEON-UHFFFAOYSA-N -2 0 360.413 0.059 20 0 FCADRL C[C@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2cc(C(=O)[O-])no2)C1=O ZINC000833564906 605262149 /nfs/dbraw/zinc/26/21/49/605262149.db2.gz ZXZAZOBMXGMMLS-QGZVFWFLSA-N -2 0 372.337 0.961 20 0 FCADRL COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(OC)c(C(=O)[O-])c1 ZINC000912531380 666451126 /nfs/dbraw/zinc/45/11/26/666451126.db2.gz LHNRGXSFXKMZRK-UHFFFAOYSA-N -2 0 355.328 0.704 20 0 FCADRL CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1c(C)n(C)nc1C(=O)[O-] ZINC000912557812 666458073 /nfs/dbraw/zinc/45/80/73/666458073.db2.gz GTFNOWILLQGYSW-UHFFFAOYSA-N -2 0 357.348 0.127 20 0 FCADRL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][N-]C(=O)c1cnccn1 ZINC000055579892 666543474 /nfs/dbraw/zinc/54/34/74/666543474.db2.gz FAJDZENGGHVSBD-UHFFFAOYSA-N -2 0 353.316 0.017 20 0 FCADRL CCCNC(=O)N[N-]S(=O)(=O)c1cc(OC)c(OC)c(C(=O)[O-])c1 ZINC000070776428 666579145 /nfs/dbraw/zinc/57/91/45/666579145.db2.gz FFVFIFDTEHQABG-UHFFFAOYSA-N -2 0 361.376 0.305 20 0 FCADRL CC[C@@H](NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1)C(=O)[O-] ZINC000914746334 666795246 /nfs/dbraw/zinc/79/52/46/666795246.db2.gz QRVLRZXANSMRAN-JOYOIKCWSA-N -2 0 370.383 0.266 20 0 FCADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]NC(=O)c2ccccc2O)cc1 ZINC000032586317 666884385 /nfs/dbraw/zinc/88/43/85/666884385.db2.gz UELJUAPQNKATEH-UHFFFAOYSA-N -2 0 366.351 0.479 20 0 FCADRL CCOC(=O)N[N-]S(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000032081653 667175540 /nfs/dbraw/zinc/17/55/40/667175540.db2.gz GCSNCTKYRZLTHS-SECBINFHSA-N -2 0 371.371 0.064 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)cc1 ZINC000759418512 667805476 /nfs/dbraw/zinc/80/54/76/667805476.db2.gz FYCSCUGUBCZLHM-UHFFFAOYSA-N -2 0 368.333 0.957 20 0 FCADRL COc1ccccc1S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000759530918 667810487 /nfs/dbraw/zinc/81/04/87/667810487.db2.gz OJUFGTZJZWGJGC-UHFFFAOYSA-N -2 0 368.333 0.957 20 0 FCADRL Cc1ncc(S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)s1 ZINC000759696237 667817185 /nfs/dbraw/zinc/81/71/85/667817185.db2.gz VQOOIUNVAWSJMQ-UHFFFAOYSA-N -2 0 359.351 0.714 20 0 FCADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)n1 ZINC000776426418 668260828 /nfs/dbraw/zinc/26/08/28/668260828.db2.gz KOUFDAUCSKKKNG-UHFFFAOYSA-N -3 0 355.328 0.631 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc2nc(Cl)cnc2c1)C(=O)[O-] ZINC000776444242 668262804 /nfs/dbraw/zinc/26/28/04/668262804.db2.gz MNGJEFVIPHLRDE-SECBINFHSA-N -2 0 359.747 0.489 20 0 FCADRL COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000776635753 668281286 /nfs/dbraw/zinc/28/12/86/668281286.db2.gz SJEMKOFCSKFAKL-TZOMUSMUSA-N -2 0 371.367 0.327 20 0 FCADRL COc1cc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cnc1Cl ZINC000788438159 668828698 /nfs/dbraw/zinc/82/86/98/668828698.db2.gz ALPANZHGVOHWQR-MRVPVSSYSA-N -2 0 366.779 0.730 20 0 FCADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)c1 ZINC000820551406 669102881 /nfs/dbraw/zinc/10/28/81/669102881.db2.gz WOPKEJVBGSBFKA-MCMMXHMISA-N -2 0 361.441 0.428 20 0 FCADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)n1 ZINC000821089009 669155815 /nfs/dbraw/zinc/15/58/15/669155815.db2.gz AKAQEOBYXOMVBR-UHFFFAOYSA-N -2 0 368.371 0.886 20 0 FCADRL C[C@@H](CN(C)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C(=O)[O-] ZINC000827437183 669567919 /nfs/dbraw/zinc/56/79/19/669567919.db2.gz UIGWGSZIRFZDJM-NSHDSACASA-N -2 0 370.427 0.969 20 0 FCADRL CNS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@@H]2CCCOC2)c1 ZINC000811724280 669765151 /nfs/dbraw/zinc/76/51/51/669765151.db2.gz GBKNJRHOKWAIQT-SNVBAGLBSA-N -2 0 364.445 0.469 20 0 FCADRL CO[C@@H]1COCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000840891700 670523847 /nfs/dbraw/zinc/52/38/47/670523847.db2.gz ZOKQIUOTEVTLMW-PRHODGIISA-N -2 0 365.354 0.993 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c(Cl)n1 ZINC000844793515 670944808 /nfs/dbraw/zinc/94/48/08/670944808.db2.gz YRIINWMUGTZOQB-DTWKUNHWSA-N -2 0 362.791 0.839 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CC1CC1 ZINC000849232573 671323695 /nfs/dbraw/zinc/32/36/95/671323695.db2.gz PEMPAQUBGKKOKJ-IUCAKERBSA-N -2 0 358.338 0.322 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cscn1 ZINC000851700869 671460276 /nfs/dbraw/zinc/46/02/76/671460276.db2.gz DIKLCRTZCUXCOQ-SVRRBLITSA-N -2 0 351.306 0.879 20 0 FCADRL O=C([O-])CCCCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851703444 671461920 /nfs/dbraw/zinc/46/19/20/671461920.db2.gz PDMPKFKMFZWTHN-KWQFWETISA-N -2 0 368.308 0.754 20 0 FCADRL Cc1cc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])n(C)n1 ZINC000851703945 671462164 /nfs/dbraw/zinc/46/21/64/671462164.db2.gz RLQMWDAMOIGIQY-WPRPVWTQSA-N -2 0 362.308 0.465 20 0 FCADRL Cc1nccnc1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852958050 671533829 /nfs/dbraw/zinc/53/38/29/671533829.db2.gz BVNWUFIIRLFWKO-WCBMZHEXSA-N -2 0 360.292 0.521 20 0 FCADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000863952701 672163976 /nfs/dbraw/zinc/16/39/76/672163976.db2.gz CYFDHLKGFPMZGF-NSHDSACASA-N -2 0 367.387 0.039 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)O1 ZINC000863953984 672164557 /nfs/dbraw/zinc/16/45/57/672164557.db2.gz HJMDYHXPEAIRSM-BDAKNGLRSA-N -2 0 351.739 0.916 20 0 FCADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000863953831 672164574 /nfs/dbraw/zinc/16/45/74/672164574.db2.gz AIZBCXXCKPSUNS-NSHDSACASA-N -2 0 371.415 0.407 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)nc1 ZINC000863956605 672166187 /nfs/dbraw/zinc/16/61/87/672166187.db2.gz DCFGWTLWZOOOAI-UHFFFAOYSA-N -2 0 356.356 0.318 20 0 FCADRL COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000863958825 672167086 /nfs/dbraw/zinc/16/70/86/672167086.db2.gz LCRNVRWPIAGKCK-VHSXEESVSA-N -2 0 373.383 0.407 20 0 FCADRL COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCC1 ZINC000863961051 672168382 /nfs/dbraw/zinc/16/83/82/672168382.db2.gz FOLUPTCIDUEELM-UHFFFAOYSA-N -2 0 370.383 0.244 20 0 FCADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2)C1CCCC1 ZINC000863962382 672169208 /nfs/dbraw/zinc/16/92/08/672169208.db2.gz JIKRTZHTNOFXHN-LLVKDONJSA-N -2 0 357.388 0.362 20 0 FCADRL COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000863962675 672169502 /nfs/dbraw/zinc/16/95/02/672169502.db2.gz SYZJUJCMQSKZSQ-UHFFFAOYSA-N -2 0 373.383 0.409 20 0 FCADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000863963030 672169550 /nfs/dbraw/zinc/16/95/50/672169550.db2.gz GYHQVJAXQGAYHZ-LLVKDONJSA-N -2 0 367.387 0.214 20 0 FCADRL COC(=O)c1oc(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])CC2(C)C)cc1C ZINC000863965166 672170838 /nfs/dbraw/zinc/17/08/38/672170838.db2.gz TWXRGUKGFSYXLA-AWEZNQCLSA-N -2 0 359.356 0.680 20 0 FCADRL CC(C)(NC(=O)c1cnc(I)c([O-])c1)C(=O)[O-] ZINC000902201979 675838621 /nfs/dbraw/zinc/83/86/21/675838621.db2.gz DHDCECKWJKSFGV-UHFFFAOYSA-N -2 0 350.112 0.985 20 0 FCADRL CN(CCC(=O)[O-])C(=O)c1cnc(I)c([O-])c1 ZINC000901461318 675791781 /nfs/dbraw/zinc/79/17/81/675791781.db2.gz ZLPNFSKBIHUOQM-UHFFFAOYSA-N -2 0 350.112 0.939 20 0 FCADRL CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CCN1C(=O)c1n[nH]c(C)c1[O-] ZINC000984777520 1190124469 /nfs/dbraw/zinc/12/44/69/1190124469.db2.gz AITMZCANSMDSNO-VHSXEESVSA-N -2 0 362.390 0.584 20 0 FCADRL COC(=O)[C@H](CCC(=O)[O-])NC(=O)COc1ccc(OCC(=O)[O-])cc1 ZINC001183909520 1206462292 /nfs/dbraw/zinc/46/22/92/1206462292.db2.gz HFTUEPWLDWKDKM-LBPRGKRZSA-N -2 0 369.326 0.051 20 0 FCADRL CCOC(=O)[C@H](OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1ccccc1F ZINC001224157607 1225762143 /nfs/dbraw/zinc/76/21/43/1225762143.db2.gz ZDSPQOKDAOWVLB-ZWKOPEQDSA-N -2 0 372.301 0.510 20 0 FCADRL Cc1cc(=O)oc2cc(O)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc12 ZINC001226532568 1225846227 /nfs/dbraw/zinc/84/62/27/1225846227.db2.gz TVWRJOXCZGQUKV-RMLUDKJBSA-N -3 0 366.278 0.249 20 0 FCADRL COc1cc(C(C)=O)cc(OC)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228242279 1225904311 /nfs/dbraw/zinc/90/43/11/1225904311.db2.gz SGZSTADJKOOEJG-TVQRCGJNSA-N -2 0 370.310 0.348 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc2c3c1CCCN3CCC2)[C@H](O)C(=O)[O-] ZINC001228426465 1225922915 /nfs/dbraw/zinc/92/29/15/1225922915.db2.gz LNINYKGCLRGWAJ-LRDDRELGSA-N -2 0 363.366 0.827 20 0 FCADRL COC(=O)c1c(C)cc(O)c(C)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001229332716 1226002757 /nfs/dbraw/zinc/00/27/57/1226002757.db2.gz JEHNMRPVGIUFLS-UFBFGSQYSA-N -2 0 370.310 0.237 20 0 FCADRL COc1cc2oc(=O)ccc2cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001229475756 1226013614 /nfs/dbraw/zinc/01/36/14/1226013614.db2.gz MEUXNLFWZBUWPP-RTHLEPHNSA-N -2 0 366.278 0.243 20 0 FCADRL COc1cc(OC)c(C(C)=O)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001229474538 1226013726 /nfs/dbraw/zinc/01/37/26/1226013726.db2.gz WSOLLANBCAOOGS-XPTSAGLGSA-N -2 0 370.310 0.348 20 0 FCADRL CCOC(=O)/C=C/c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001230414037 1226081546 /nfs/dbraw/zinc/08/15/46/1226081546.db2.gz GUBQMSLGOTYQKV-ITPJJHHZSA-N -2 0 366.322 0.705 20 0 FCADRL CCCNC(=O)[C@H](C)NC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000043797443 1245295229 /nfs/dbraw/zinc/29/52/29/1245295229.db2.gz ZZOUPFWBKOVSBD-NSHDSACASA-N -2 0 374.401 0.437 20 0 FCADRL O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1ccc2oc(=O)nc-2[n-]1 ZINC001096338723 1258896028 /nfs/dbraw/zinc/89/60/28/1258896028.db2.gz NGQGRIZCWKABLM-JEZHCXPESA-N -2 0 371.357 0.287 20 0 FCADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)C1 ZINC001549134360 1267819358 /nfs/dbraw/zinc/81/93/58/1267819358.db2.gz PAZYWZUOZMXMKS-IJLUTSLNSA-N -2 0 352.387 0.411 20 0 FCADRL CC(C)C[C@H]1COCCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001574237746 1271111246 /nfs/dbraw/zinc/11/12/46/1271111246.db2.gz UBYZZNXVAFAPFI-LBPRGKRZSA-N -2 0 358.406 0.862 20 0 FCADRL CCCCCN(CC(N)=O)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001577508009 1274459674 /nfs/dbraw/zinc/45/96/74/1274459674.db2.gz CZKCITAPXDZTRI-UHFFFAOYSA-N -2 0 359.394 0.093 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1c[nH]c(Br)c1 ZINC001603187708 1287325152 /nfs/dbraw/zinc/32/51/52/1287325152.db2.gz JFPDHKIWVYXWGJ-NTSWFWBYSA-N -2 0 353.194 0.946 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)Cc1cccc(F)c1 ZINC001603187870 1287325532 /nfs/dbraw/zinc/32/55/32/1287325532.db2.gz KANUFTCFHAALRN-VHSXEESVSA-N -2 0 374.390 0.040 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(=O)n(C)c2ccccc12 ZINC001603187280 1287325570 /nfs/dbraw/zinc/32/55/70/1287325570.db2.gz FZEBGIAFGUDNGS-VHSXEESVSA-N -2 0 366.395 0.707 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2cnn(C)c2)o1 ZINC001603189639 1287326023 /nfs/dbraw/zinc/32/60/23/1287326023.db2.gz RXLRAMQWCYOPGI-IUCAKERBSA-N -2 0 355.372 0.849 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC001603201206 1287327975 /nfs/dbraw/zinc/32/79/75/1287327975.db2.gz FLKVAMLJEPYYTQ-DTWKUNHWSA-N -2 0 364.420 0.551 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001603204919 1287330442 /nfs/dbraw/zinc/33/04/42/1287330442.db2.gz RRJBXINMOWJYLR-XHNCKOQMSA-N -2 0 350.393 0.209 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001603203970 1287328978 /nfs/dbraw/zinc/32/89/78/1287328978.db2.gz FUWPLWYFONHBAK-ZCFIWIBFSA-N -2 0 365.289 0.886 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)COc1cccc(N2CCCC2=O)c1 ZINC001603204452 1287331253 /nfs/dbraw/zinc/33/12/53/1287331253.db2.gz PDFIIQGAKMZSGH-SNVBAGLBSA-N -2 0 370.383 0.111 20 0 FCADRL CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)cc1 ZINC001603274197 1287346108 /nfs/dbraw/zinc/34/61/08/1287346108.db2.gz JWUYOLAEQLBMLU-MFKMUULPSA-N -2 0 371.411 0.817 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)[N-]S(=O)(=O)CC(=O)[O-])C1 ZINC001603397277 1287367021 /nfs/dbraw/zinc/36/70/21/1287367021.db2.gz TVEYVAKSNPQTFP-WPRPVWTQSA-N -2 0 368.383 0.112 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1coc(C2CCOCC2)n1)C(=O)[O-] ZINC001603659651 1287459349 /nfs/dbraw/zinc/45/93/49/1287459349.db2.gz FEIZGQTZGILCBT-UHFFFAOYSA-N -2 0 360.388 0.739 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)c1)C(=O)[O-] ZINC001603659563 1287459442 /nfs/dbraw/zinc/45/94/42/1287459442.db2.gz AMHJGOGIBBQIEJ-UHFFFAOYSA-N -2 0 365.411 0.972 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@H]1COc2cc(F)ccc2C1)C(=O)[O-] ZINC001603660129 1287460602 /nfs/dbraw/zinc/46/06/02/1287460602.db2.gz MWVPLHXAIWZSKT-SNVBAGLBSA-N -2 0 359.375 0.934 20 0 FCADRL CC(C)CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c1ccccc1 ZINC001603761274 1287489669 /nfs/dbraw/zinc/48/96/69/1287489669.db2.gz QUUVZNLWTRPBNM-BXUZGUMPSA-N -2 0 370.427 0.809 20 0 FCADRL O=C(c1ncccc1O)N1CC[C@H](Nc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001582751609 1281976403 /nfs/dbraw/zinc/97/64/03/1281976403.db2.gz OIGFYZODXHQSFO-VIFPVBQESA-N -2 0 353.346 0.084 20 0 FCADRL O=C(c1ncccc1O)N1CC[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001582751562 1281976673 /nfs/dbraw/zinc/97/66/73/1281976673.db2.gz LUSMMPNEYQVUKU-LLVKDONJSA-N -2 0 352.358 0.689 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001603971759 1287546391 /nfs/dbraw/zinc/54/63/91/1287546391.db2.gz QRFYYLYMJZDITH-GUBZILKMSA-N -2 0 354.325 0.828 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001603971135 1287546566 /nfs/dbraw/zinc/54/65/66/1287546566.db2.gz CIOWMDRFUMJEJC-CBAPKCEASA-N -2 0 356.297 0.022 20 0 FCADRL CC(C)n1nccc1NC(=C(F)C(=O)[O-])c1c([O-])[nH]c(=S)[nH]c1=O ZINC001604048270 1287561322 /nfs/dbraw/zinc/56/13/22/1287561322.db2.gz TYIKTKHVHROWHA-MRVPVSSYSA-N -2 0 355.351 0.084 20 0 FCADRL CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001604095995 1287569165 /nfs/dbraw/zinc/56/91/65/1287569165.db2.gz FMHPIUKUUPNDQV-HTQZYQBOSA-N -2 0 357.417 0.802 20 0 FCADRL C[C@@H](CS(=O)(=O)NCCc1nc2cc(C(=O)[O-])ccc2[nH]1)C(=O)[O-] ZINC001604209056 1287591848 /nfs/dbraw/zinc/59/18/48/1287591848.db2.gz IJSROADIRGENQY-QMMMGPOBSA-N -2 0 355.372 0.444 20 0 FCADRL C[C@@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001604257138 1287595426 /nfs/dbraw/zinc/59/54/26/1287595426.db2.gz VGZCVZGEOZMOTC-WMEBDMIVSA-N -2 0 354.403 0.561 20 0 FCADRL C[C@H](C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CCOCC1 ZINC001589030131 1282780873 /nfs/dbraw/zinc/78/08/73/1282780873.db2.gz KCATXUIKPNLOQZ-VIFPVBQESA-N -2 0 373.373 0.721 20 0 FCADRL CC(C)C[C@H](CNS(=O)(=O)c1cccnc1-c1nnn[n-]1)CC(=O)[O-] ZINC001589658996 1282932614 /nfs/dbraw/zinc/93/26/14/1282932614.db2.gz WFWLHNRVVUWOBT-JTQLQIEISA-N -2 0 368.419 0.677 20 0 FCADRL CC(C)C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(F)c1)C(=O)[O-] ZINC001589659672 1282933631 /nfs/dbraw/zinc/93/36/31/1282933631.db2.gz GFFBEERLFUZCPA-NSHDSACASA-N -2 0 357.367 0.783 20 0 FCADRL C[C@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)[N-]OCCCC(=O)[O-] ZINC001604370045 1287619071 /nfs/dbraw/zinc/61/90/71/1287619071.db2.gz SVAZYSDSEOAKLW-SFHVURJKSA-N -2 0 364.398 0.974 20 0 FCADRL C[C@@H]1C[C@@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCO1 ZINC001590184313 1283292268 /nfs/dbraw/zinc/29/22/68/1283292268.db2.gz GCXXXWDYFVMREB-BDAKNGLRSA-N -2 0 359.346 0.473 20 0 FCADRL C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001590224962 1283354870 /nfs/dbraw/zinc/35/48/70/1283354870.db2.gz BAXDBBIZLXUIRJ-HTQZYQBOSA-N -2 0 357.417 0.802 20 0 FCADRL C[C@H]1CN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)CC[C@H]1C(=O)[O-] ZINC001590314833 1283458416 /nfs/dbraw/zinc/45/84/16/1283458416.db2.gz USMKFGUSTPQZEU-JGVFFNPUSA-N -2 0 357.417 0.660 20 0 FCADRL CN1CCCC[C@@H]1C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001591188624 1284305315 /nfs/dbraw/zinc/30/53/15/1284305315.db2.gz HGUYNPZFSGXGAB-LLVKDONJSA-N -2 0 358.362 0.143 20 0 FCADRL CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591213798 1284344209 /nfs/dbraw/zinc/34/42/09/1284344209.db2.gz KWROMKQFBVJVCR-UHFFFAOYSA-N -2 0 362.371 0.929 20 0 FCADRL Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CC1 ZINC001592109514 1285143664 /nfs/dbraw/zinc/14/36/64/1285143664.db2.gz PFJDBMCOVVXDGX-LLVKDONJSA-N -2 0 365.371 0.091 20 0 FCADRL Cn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001592598051 1285531490 /nfs/dbraw/zinc/53/14/90/1285531490.db2.gz ZDFBLZRKVYXIMS-UHFFFAOYSA-N -2 0 359.293 0.818 20 0 FCADRL O=C(C=Cc1cnccn1)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001592803641 1285726332 /nfs/dbraw/zinc/72/63/32/1285726332.db2.gz NXWCMVLAJPGSLU-OWOJBTEDSA-N -2 0 365.313 0.162 20 0 FCADRL O=C(CCn1cccc1)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001592860774 1285765278 /nfs/dbraw/zinc/76/52/78/1285765278.db2.gz IDZDKKVYIMPIIH-UHFFFAOYSA-N -2 0 354.330 0.550 20 0 FCADRL O=C([O-])CCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC001593278263 1286060647 /nfs/dbraw/zinc/06/06/47/1286060647.db2.gz WTGFNDRMILNFSS-UHFFFAOYSA-N -2 0 353.360 0.068 20 0 FCADRL COC(=O)C1(NC(=O)c2ccc(C(=O)[O-])nc2)CCC(C(=O)[O-])CC1 ZINC001598722505 1286400594 /nfs/dbraw/zinc/40/05/94/1286400594.db2.gz CYDYHMRPGNHGPR-UHFFFAOYSA-N -2 0 350.327 0.696 20 0 FCADRL Cc1c([C@@H](NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C(=O)[O-])cnn1C ZINC001600009519 1286423522 /nfs/dbraw/zinc/42/35/22/1286423522.db2.gz OAOCYZFBVGVRKY-GFCCVEGCSA-N -2 0 371.346 0.670 20 0 FCADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-] ZINC001600022564 1286425607 /nfs/dbraw/zinc/42/56/07/1286425607.db2.gz YFARSVZVEAZNMA-CQSZACIVSA-N -2 0 363.363 0.584 20 0 FCADRL Cc1c(NC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)cnn1CC(=O)[O-] ZINC001600027258 1286428990 /nfs/dbraw/zinc/42/89/90/1286428990.db2.gz VHEGQAGXANSLBF-UHFFFAOYSA-N -2 0 366.374 0.318 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2nn(C)cc2C(N)=O)c1C ZINC001600115143 1286443260 /nfs/dbraw/zinc/44/32/60/1286443260.db2.gz LGHBXVGDVJJGML-UHFFFAOYSA-N -2 0 352.372 0.635 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCCSCC(=O)[O-])c1F ZINC001600114964 1286443339 /nfs/dbraw/zinc/44/33/39/1286443339.db2.gz YKYIKUWSKQYPQB-UHFFFAOYSA-N -2 0 351.377 0.928 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-])c1F ZINC001600116543 1286443628 /nfs/dbraw/zinc/44/36/28/1286443628.db2.gz QZEVKAOUAUMMKL-JTQLQIEISA-N -2 0 363.363 0.989 20 0 FCADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC001600123975 1286444979 /nfs/dbraw/zinc/44/49/79/1286444979.db2.gz ZPGDVQUKSRBKJK-GHMZBOCLSA-N -3 0 371.367 0.489 20 0 FCADRL Cc1cc(C)n(C[C@H](NS(=O)(=O)CC2(C(=O)[O-])CCCC2)C(=O)[O-])n1 ZINC001600178805 1286450159 /nfs/dbraw/zinc/45/01/59/1286450159.db2.gz LDFOMXCKGXWSJJ-LBPRGKRZSA-N -2 0 373.431 0.518 20 0 FCADRL Cc1cc(C)n(C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])s2)C(=O)[O-])n1 ZINC001600178970 1286451008 /nfs/dbraw/zinc/45/10/08/1286451008.db2.gz OLOFDNXIBZMFSF-SECBINFHSA-N -2 0 373.412 0.691 20 0 FCADRL Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001600180777 1286451113 /nfs/dbraw/zinc/45/11/13/1286451113.db2.gz SKOJPLWGRBCCKA-KOLCDFICSA-N -2 0 368.415 0.823 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])nn1CC(F)(F)F ZINC001600281893 1286467579 /nfs/dbraw/zinc/46/75/79/1286467579.db2.gz OFAQXCULGYZXHA-UHFFFAOYSA-N -2 0 353.282 0.976 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)CCNC(=O)CC(C)C)oc1C(=O)[O-] ZINC001600298003 1286471303 /nfs/dbraw/zinc/47/13/03/1286471303.db2.gz XJXGRCIXZUSYJJ-UHFFFAOYSA-N -2 0 360.388 0.644 20 0 FCADRL Cc1cc(S(=O)(=O)NC[C@H](Cc2ccccn2)C(=O)[O-])oc1C(=O)[O-] ZINC001600299720 1286472435 /nfs/dbraw/zinc/47/24/35/1286472435.db2.gz SCGYNQUVDFVSEU-JTQLQIEISA-N -2 0 368.367 0.903 20 0 FCADRL Cc1ccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])CC2=O)cc1F ZINC001600435170 1286485749 /nfs/dbraw/zinc/48/57/49/1286485749.db2.gz NFUANEMFHIMRND-VIFPVBQESA-N -2 0 358.347 0.018 20 0 FCADRL Cc1ncc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)cc1C(=O)[O-] ZINC001600746013 1286536013 /nfs/dbraw/zinc/53/60/13/1286536013.db2.gz VNMPJIUFBTZARB-UHFFFAOYSA-N -2 0 367.387 0.480 20 0 FCADRL Cc1ncc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cn2)cc1C(=O)[O-] ZINC001600747804 1286537929 /nfs/dbraw/zinc/53/79/29/1286537929.db2.gz YIMAVFWGPXRRGC-UHFFFAOYSA-N -2 0 364.383 0.986 20 0 FCADRL Cc1nn(C)c(C)c1CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001600770860 1286540883 /nfs/dbraw/zinc/54/08/83/1286540883.db2.gz UHOKFOUASGDGTO-UHFFFAOYSA-N -2 0 365.411 0.924 20 0 FCADRL Cc1nn(C)c(C)c1[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)[O-] ZINC001600769380 1286540901 /nfs/dbraw/zinc/54/09/01/1286540901.db2.gz YAIDFDPLLAHMCZ-LBPRGKRZSA-N -2 0 370.387 0.178 20 0 FCADRL Cc1nn(C)c(C)c1[C@@H](NS(=O)(=O)c1ccsc1C(=O)[O-])C(=O)[O-] ZINC001600769392 1286541445 /nfs/dbraw/zinc/54/14/45/1286541445.db2.gz YJHVVHHISLPOEI-SNVBAGLBSA-N -2 0 373.412 0.901 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nncn1C ZINC001600834561 1286552855 /nfs/dbraw/zinc/55/28/55/1286552855.db2.gz VUWSWVZWVOTCID-SSDOTTSWSA-N -2 0 374.400 0.400 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](Cc1ccccn1)C(=O)[O-] ZINC001600835524 1286553032 /nfs/dbraw/zinc/55/30/32/1286553032.db2.gz VLALCMZBTQNBSV-SNVBAGLBSA-N -2 0 368.367 0.903 20 0 FCADRL Cc1oc(CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600845472 1286555900 /nfs/dbraw/zinc/55/59/00/1286555900.db2.gz CBDDEZFINZRSRJ-UFBFGSQYSA-N -2 0 352.343 0.472 20 0 FCADRL Cn1cc(-c2ccc([N-]S(=O)(=O)c3scnc3C(=O)[O-])nn2)cn1 ZINC001600922436 1286569883 /nfs/dbraw/zinc/56/98/83/1286569883.db2.gz CDMMWMHOMVYQCW-UHFFFAOYSA-N -2 0 366.384 0.833 20 0 FCADRL Cn1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)ccc1=O ZINC001600932846 1286572940 /nfs/dbraw/zinc/57/29/40/1286572940.db2.gz TXUJOKXGPLCLRR-UHFFFAOYSA-N -2 0 350.352 0.343 20 0 FCADRL Cn1cc(CCC(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cn1 ZINC001600948205 1286577657 /nfs/dbraw/zinc/57/76/57/1286577657.db2.gz HDLMSIWZOOXFGD-UHFFFAOYSA-N -2 0 351.384 0.697 20 0 FCADRL Cn1cc2c(n1)CCC[C@@H]2C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001600970409 1286585816 /nfs/dbraw/zinc/58/58/16/1286585816.db2.gz FBZVFQKKEMVNOL-VIFPVBQESA-N -2 0 353.356 0.636 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccnn2C[C@@H]2CCOC2)cc1C(=O)[O-] ZINC001600969682 1286586064 /nfs/dbraw/zinc/58/60/64/1286586064.db2.gz LSGHTADJHJFNNO-JTQLQIEISA-N -2 0 354.388 0.757 20 0 FCADRL Cn1cc2c(n1)CCC[C@H]2C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001600970408 1286586180 /nfs/dbraw/zinc/58/61/80/1286586180.db2.gz FBZVFQKKEMVNOL-SECBINFHSA-N -2 0 353.356 0.636 20 0 FCADRL Cn1cnnc1-c1ccnc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)c1 ZINC001600994515 1286592790 /nfs/dbraw/zinc/59/27/90/1286592790.db2.gz KBACJVFTQNFLLI-UHFFFAOYSA-N -2 0 360.355 0.771 20 0 FCADRL Cn1nnc2c1C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)CC2 ZINC001601043616 1286619824 /nfs/dbraw/zinc/61/98/24/1286619824.db2.gz VHXGQCIRIFKVCM-VIFPVBQESA-N -2 0 364.383 0.123 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)C[C@H]2OCc3ccccc32)CC1 ZINC001601259890 1286707784 /nfs/dbraw/zinc/70/77/84/1286707784.db2.gz MFCAOTYHPQIIFY-CQSZACIVSA-N -2 0 368.411 0.806 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)CCOC[C@@H]2CCCO2)c1 ZINC001601282036 1286711894 /nfs/dbraw/zinc/71/18/94/1286711894.db2.gz XRUFTJRRXGOXPG-AWEZNQCLSA-N -2 0 371.411 0.917 20 0 FCADRL O=C([O-])[C@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)CCc1nnn[n-]1 ZINC001601296107 1286714634 /nfs/dbraw/zinc/71/46/34/1286714634.db2.gz VFUPCHJVANZSNL-JTQLQIEISA-N -2 0 373.291 0.843 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)CN2CCCCCCC2=O)c1 ZINC001601312399 1286722484 /nfs/dbraw/zinc/72/24/84/1286722484.db2.gz ABNCSZXTDFBFQU-UHFFFAOYSA-N -2 0 368.411 0.982 20 0 FCADRL O=C([O-])[C@]12CN(C(=O)CSc3n[n-]c(=S)s3)C[C@H]1COCC2 ZINC001601350504 1286732676 /nfs/dbraw/zinc/73/26/76/1286732676.db2.gz SEZKOIMGLGHFIB-JVXZTZIISA-N -2 0 361.470 0.869 20 0 FCADRL O=C([O-])[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccc(Br)cc1 ZINC001601378923 1286736536 /nfs/dbraw/zinc/73/65/36/1286736536.db2.gz ODRLSBFEMPUSSJ-SECBINFHSA-N -2 0 371.147 0.394 20 0 FCADRL O=C([O-])c1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)c(Br)c1 ZINC001601379056 1286736829 /nfs/dbraw/zinc/73/68/29/1286736829.db2.gz UFGLBWKGRZBEFW-UHFFFAOYSA-N -2 0 371.147 0.466 20 0 FCADRL O=C([O-])[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccc(Br)cc1 ZINC001601395157 1286740222 /nfs/dbraw/zinc/74/02/22/1286740222.db2.gz DBLWLBXNMKTSAT-SSDOTTSWSA-N -2 0 369.131 0.601 20 0 FCADRL O=C([O-])[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccc(C(F)(F)F)cc1 ZINC001601396056 1286740563 /nfs/dbraw/zinc/74/05/63/1286740563.db2.gz NBHSGYGZDITNHI-SSDOTTSWSA-N -2 0 358.232 0.857 20 0 FCADRL O=C([O-])[C@@H](C[C@@H]1CCCOC1)NC(=O)c1nc[n-]c(=O)c1Br ZINC001601410389 1286740980 /nfs/dbraw/zinc/74/09/80/1286740980.db2.gz BUNQWCJSVMMTDE-JGVFFNPUSA-N -2 0 374.191 0.944 20 0 FCADRL O=C([O-])[C@@H](Cn1ccnc1)NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001601426256 1286745714 /nfs/dbraw/zinc/74/57/14/1286745714.db2.gz VUFCAGWCSGVPQC-GFCCVEGCSA-N -2 0 359.317 0.797 20 0 FCADRL O=C([O-])[C@@H](CCC1OCCO1)NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC001601645983 1286798890 /nfs/dbraw/zinc/79/88/90/1286798890.db2.gz XOSAIMCKIBTZPY-SECBINFHSA-N -2 0 365.791 0.930 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)c[nH]1 ZINC001601745347 1286819787 /nfs/dbraw/zinc/81/97/87/1286819787.db2.gz XJCWWPBVTANZAK-UHFFFAOYSA-N -2 0 357.344 0.097 20 0 FCADRL O=C([O-])[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H]2CCCC[C@H]12 ZINC001601822324 1286842602 /nfs/dbraw/zinc/84/26/02/1286842602.db2.gz AHJHPFYVYCOIFH-IJLUTSLNSA-N -2 0 352.391 0.961 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccccc2)CC1 ZINC001601921702 1286870828 /nfs/dbraw/zinc/87/08/28/1286870828.db2.gz JRYDWSBREDWLKX-CHWSQXEVSA-N -2 0 357.384 0.348 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)NC[C@@H](Cc2ccccn2)C(=O)[O-])CC1 ZINC001601922534 1286872333 /nfs/dbraw/zinc/87/23/33/1286872333.db2.gz VHEWMNIJSLTMDH-LLVKDONJSA-N -2 0 356.400 0.499 20 0 FCADRL O=C([O-])CC1(NC(=O)c2s[n-]c(=O)c2Cl)CCS(=O)(=O)CC1 ZINC001601933838 1286876245 /nfs/dbraw/zinc/87/62/45/1286876245.db2.gz BBNPHGKQQSRRKK-UHFFFAOYSA-N -2 0 368.820 0.654 20 0 FCADRL O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001601964434 1286888605 /nfs/dbraw/zinc/88/86/05/1286888605.db2.gz SYOCKQDXXHVIIQ-VIFPVBQESA-N -2 0 370.408 0.830 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@H](c1ccccc1)N1CCCCC1=O ZINC001602027454 1286907787 /nfs/dbraw/zinc/90/77/87/1286907787.db2.gz DMLPNPXLEZRWMZ-HNNXBMFYSA-N -2 0 368.411 0.661 20 0 FCADRL O=C([O-])CN(CCC(F)(F)F)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001602054222 1286913058 /nfs/dbraw/zinc/91/30/58/1286913058.db2.gz IZYNWIVAFXITFW-UHFFFAOYSA-N -2 0 374.275 0.745 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001602096861 1286933779 /nfs/dbraw/zinc/93/37/79/1286933779.db2.gz ILQVYVMDKBEPIU-NSHDSACASA-N -2 0 372.374 0.209 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)CCc1cc(Br)cs1 ZINC001602097732 1286934141 /nfs/dbraw/zinc/93/41/41/1286934141.db2.gz VGAPPMGLNNLAMH-UHFFFAOYSA-N -2 0 356.219 0.974 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC001602097010 1286934154 /nfs/dbraw/zinc/93/41/54/1286934154.db2.gz CBOZVEJJQNCONT-UHFFFAOYSA-N -2 0 351.340 0.758 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC001602097318 1286934251 /nfs/dbraw/zinc/93/42/51/1286934251.db2.gz LSDIUGUQYJMYJF-UHFFFAOYSA-N -2 0 351.340 0.758 20 0 FCADRL O=C([O-])COc1cccc(NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)c1 ZINC001602094126 1286934444 /nfs/dbraw/zinc/93/44/44/1286934444.db2.gz BKAHIZGOXWNVIA-UHFFFAOYSA-N -2 0 370.321 0.982 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]C(=O)C2(F)CCOCC2)cc1F ZINC001602131816 1286944413 /nfs/dbraw/zinc/94/44/13/1286944413.db2.gz NWJXXVOFHDWCKL-UHFFFAOYSA-N -2 0 363.338 0.776 20 0 FCADRL O=C([O-])Cc1cccc(C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)c1 ZINC001602135319 1286945431 /nfs/dbraw/zinc/94/54/31/1286945431.db2.gz VATDVNBBQOARFX-UHFFFAOYSA-N -2 0 373.337 0.894 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)cn1 ZINC001602163646 1286952892 /nfs/dbraw/zinc/95/28/92/1286952892.db2.gz TUSAGVHUXJYGMY-QWHCGFSZSA-N -2 0 371.415 0.479 20 0 FCADRL O=C([O-])c1c(F)ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1F ZINC001602228115 1286972729 /nfs/dbraw/zinc/97/27/29/1286972729.db2.gz MOMCFFJXZMAIBY-SSDOTTSWSA-N -2 0 351.283 0.137 20 0 FCADRL O=C([O-])c1cc(Br)ccc1S(=O)(=O)N1CC(C(=O)[O-])C1 ZINC001602241129 1286974731 /nfs/dbraw/zinc/97/47/31/1286974731.db2.gz XVRXJOIMAPVHNX-UHFFFAOYSA-N -2 0 364.173 0.852 20 0 FCADRL O=C([O-])c1cc(F)cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@]3(CCOC3)C2)c1 ZINC001602272389 1286978156 /nfs/dbraw/zinc/97/81/56/1286978156.db2.gz OTZHIXOFPJDKII-WFASDCNBSA-N -2 0 373.358 0.636 20 0 FCADRL O=C([O-])c1cc(F)cc(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)c1 ZINC001602272067 1286978781 /nfs/dbraw/zinc/97/87/81/1286978781.db2.gz JIRWANLLIMWYHR-QPUJVOFHSA-N -2 0 361.347 0.370 20 0 FCADRL O=C([O-])c1cc(F)ccc1S(=O)(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC001602275881 1286978972 /nfs/dbraw/zinc/97/89/72/1286978972.db2.gz LFWZINIQDQCPED-KWQFWETISA-N -2 0 361.347 0.682 20 0 FCADRL O=C([O-])c1cc(F)ccc1S(=O)(=O)N[C@H](C[C@H]1CCOC1)C(=O)[O-] ZINC001602275882 1286979275 /nfs/dbraw/zinc/97/92/75/1286979275.db2.gz LFWZINIQDQCPED-LDYMZIIASA-N -2 0 361.347 0.682 20 0 FCADRL O=C([O-])c1cc(F)cc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)[O-])c1 ZINC001602273207 1286979600 /nfs/dbraw/zinc/97/96/00/1286979600.db2.gz QFVCYAKFMDIEAM-PRHODGIISA-N -2 0 361.347 0.682 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@]3(CCOC3)C2)ccc1F ZINC001602288810 1286981659 /nfs/dbraw/zinc/98/16/59/1286981659.db2.gz JYHXPMBMGLAXGV-XHDPSFHLSA-N -2 0 373.358 0.636 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])ccc1F ZINC001602292616 1286983408 /nfs/dbraw/zinc/98/34/08/1286983408.db2.gz AHLYOVSGXVCAFY-LLVKDONJSA-N -2 0 357.319 0.221 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c(F)cc1Cl ZINC001602295004 1286987146 /nfs/dbraw/zinc/98/71/46/1286987146.db2.gz CZKWDLMNZITVIX-UHFFFAOYSA-N -2 0 365.726 0.375 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)c2cn(C3CCC3)nn2)cc1 ZINC001602355063 1286990236 /nfs/dbraw/zinc/99/02/36/1286990236.db2.gz NUYFTHMCYKEWEM-UHFFFAOYSA-N -2 0 364.383 0.961 20 0 FCADRL O=C([O-])c1cccc(CCNS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC001602435669 1287001201 /nfs/dbraw/zinc/00/12/01/1287001201.db2.gz KSKRWEOXVYORNL-DGCLKSJQSA-N -2 0 356.400 0.885 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCCO3)c1 ZINC001602451867 1287004108 /nfs/dbraw/zinc/00/41/08/1287004108.db2.gz QOHGEOANTHAODX-UHFFFAOYSA-N -2 0 351.340 0.483 20 0 FCADRL O=C([O-])c1cn([C@@H]2CCCN(C(=O)NC[C@H](C(=O)[O-])C3CCC3)C2)nn1 ZINC001602494273 1287011717 /nfs/dbraw/zinc/01/17/17/1287011717.db2.gz RFITZGGPCGTCQR-NEPJUHHUSA-N -2 0 365.390 0.824 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)c1cccc2c[nH]nc21 ZINC001602583171 1287031159 /nfs/dbraw/zinc/03/11/59/1287031159.db2.gz KLVDZFJUPOBOGU-UHFFFAOYSA-N -2 0 352.353 0.836 20 0 FCADRL O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3[nH]c(=O)[n-]c3=O)cc1)C2 ZINC001602623683 1287037443 /nfs/dbraw/zinc/03/74/43/1287037443.db2.gz BSUFUUSAEJHELL-GTNSWQLSSA-N -2 0 358.354 0.593 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)C[C@H]2CCCC(=O)N2)cc1 ZINC001602643910 1287045291 /nfs/dbraw/zinc/04/52/91/1287045291.db2.gz POAKLUQEZVEYJK-GFCCVEGCSA-N -2 0 354.384 0.390 20 0 FCADRL O=CN1CCCN(C(=O)c2ccc(-n3[nH]c(CC(=O)[O-])cc3=O)cc2)CC1 ZINC001602663120 1287055998 /nfs/dbraw/zinc/05/59/98/1287055998.db2.gz LMHXINQFEGPYFS-UHFFFAOYSA-N -2 0 372.381 0.097 20 0 FCADRL CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC ZINC001604884246 1287806389 /nfs/dbraw/zinc/80/63/89/1287806389.db2.gz LMHOKMPQLWBDQE-ZCFIWIBFSA-N -2 0 365.385 0.717 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C1=O ZINC001605135182 1287892192 /nfs/dbraw/zinc/89/21/92/1287892192.db2.gz KMFWJXZVWLLAKF-CYBMUJFWSA-N -2 0 359.335 0.438 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(OC)cc2C(=O)[O-])C1=O ZINC001605135854 1287892532 /nfs/dbraw/zinc/89/25/32/1287892532.db2.gz SWFZSSZCVARWSJ-AWEZNQCLSA-N -2 0 371.371 0.307 20 0 FCADRL Cc1ccc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])nn1 ZINC001605247162 1287915098 /nfs/dbraw/zinc/91/50/98/1287915098.db2.gz NPPSMPHEORITJT-SCZZXKLOSA-N -2 0 360.292 0.521 20 0 FCADRL CCCc1c(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)[nH]c(C)c1C(=O)[O-] ZINC001605363686 1287941857 /nfs/dbraw/zinc/94/18/57/1287941857.db2.gz APFHYHYSMCHBKN-UHFFFAOYSA-N -2 0 362.390 0.611 20 0 FCADRL CCc1nc(-c2ccc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc2)n[nH]1 ZINC001605844398 1288097160 /nfs/dbraw/zinc/09/71/60/1288097160.db2.gz FEUODBYYIKZBEI-MRVPVSSYSA-N -2 0 352.372 0.567 20 0 FCADRL CN(CCC(=O)[O-])C(=O)C(=O)N1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001606104756 1288167703 /nfs/dbraw/zinc/16/77/03/1288167703.db2.gz LRAOAUADQUTLOU-UHFFFAOYSA-N -2 0 369.399 0.028 20 0 FCADRL CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001606284166 1288253910 /nfs/dbraw/zinc/25/39/10/1288253910.db2.gz XZRKEYFEDHDOFP-UHFFFAOYSA-N -2 0 352.372 0.506 20 0 FCADRL CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001606283967 1288254217 /nfs/dbraw/zinc/25/42/17/1288254217.db2.gz RHOLZQWWASRSOX-UHFFFAOYSA-N -2 0 356.335 0.716 20 0 FCADRL COC(=O)C12CC(C(=O)[N-]S(=O)(=O)Cc3ccc(C(=O)[O-])cc3)(C1)C2 ZINC001606357940 1288272999 /nfs/dbraw/zinc/27/29/99/1288272999.db2.gz ZKYZQEDTDYODKL-UHFFFAOYSA-N -2 0 367.379 0.674 20 0 FCADRL COC(=O)CN(CC(=O)[O-])C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001606468206 1288331933 /nfs/dbraw/zinc/33/19/33/1288331933.db2.gz UNRLLXPRONNDJH-UHFFFAOYSA-N -2 0 367.745 0.931 20 0 FCADRL O=C(/C=C/[C@H]1CCOC1)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001606480759 1288339679 /nfs/dbraw/zinc/33/96/79/1288339679.db2.gz RPKBBBVZAKVJLC-VWCDRPFISA-N -2 0 357.330 0.251 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc(OC)c(C(=O)[O-])c2)on1 ZINC001606570585 1288391443 /nfs/dbraw/zinc/39/14/43/1288391443.db2.gz VJNRRSOTXSNBTJ-UHFFFAOYSA-N -2 0 370.339 0.647 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])C(C)C ZINC001606583154 1288395504 /nfs/dbraw/zinc/39/55/04/1288395504.db2.gz JAMCZPWHZWBCFW-UHFFFAOYSA-N -2 0 359.356 0.655 20 0 FCADRL COC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC001606629995 1288416033 /nfs/dbraw/zinc/41/60/33/1288416033.db2.gz SEVDOIJPMYGRDY-UHFFFAOYSA-N -2 0 369.355 0.714 20 0 FCADRL COC(=O)c1oc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1C ZINC001606636406 1288419351 /nfs/dbraw/zinc/41/93/51/1288419351.db2.gz LFHTWPBHORDNFY-DTWKUNHWSA-N -2 0 359.356 0.680 20 0 FCADRL COC1(C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C(=O)[O-])CCC1 ZINC001606714754 1288463688 /nfs/dbraw/zinc/46/36/88/1288463688.db2.gz QUFSCXCWNXPDMF-SNVBAGLBSA-N -2 0 361.372 0.977 20 0 FCADRL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC001606786231 1288516877 /nfs/dbraw/zinc/51/68/77/1288516877.db2.gz OBROXMNVPFIWOF-NSHDSACASA-N -2 0 352.390 0.088 20 0 FCADRL COC/C(C)=C\C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001606791707 1288521546 /nfs/dbraw/zinc/52/15/46/1288521546.db2.gz DDYHFMAJJYVBFE-POHAHGRESA-N -2 0 357.384 0.720 20 0 FCADRL COCC[C@H](NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)C(=O)[O-] ZINC001606859357 1288541511 /nfs/dbraw/zinc/54/15/11/1288541511.db2.gz YEQYIUCYCCWORV-LBPRGKRZSA-N -2 0 365.411 0.681 20 0 FCADRL COCC[C@@H](NS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-])C(=O)[O-] ZINC001606863237 1288541804 /nfs/dbraw/zinc/54/18/04/1288541804.db2.gz WTKXICUNNAJJNR-LLVKDONJSA-N -2 0 368.367 0.701 20 0 FCADRL COCCCOCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001606871725 1288544614 /nfs/dbraw/zinc/54/46/14/1288544614.db2.gz VRHOHNZUGQBTIC-UHFFFAOYSA-N -2 0 365.791 0.896 20 0 FCADRL COCCOc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC001606913762 1288561005 /nfs/dbraw/zinc/56/10/05/1288561005.db2.gz RTQHQTGGZNSTNS-QMMMGPOBSA-N -2 0 365.791 0.898 20 0 FCADRL COc1c([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)cccc1C(N)=O ZINC001607051115 1288620212 /nfs/dbraw/zinc/62/02/12/1288620212.db2.gz WLUINMGQGPAATG-UHFFFAOYSA-N -2 0 351.340 0.688 20 0 FCADRL COc1cc(OC)c(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c(OC)c1 ZINC001607184488 1288680018 /nfs/dbraw/zinc/68/00/18/1288680018.db2.gz RDYAZONQIQZKNZ-UHFFFAOYSA-N -2 0 371.371 0.794 20 0 FCADRL COc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1OC(F)F ZINC001607206474 1288684973 /nfs/dbraw/zinc/68/49/73/1288684973.db2.gz XBNTUEDGUPOAQZ-LURJTMIESA-N -2 0 353.299 0.829 20 0 FCADRL COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC001607207171 1288685149 /nfs/dbraw/zinc/68/51/49/1288685149.db2.gz KLWVSOSSRWPCLK-KOLCDFICSA-N -2 0 364.354 0.901 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])nnn1-c1cccc(Cl)c1 ZINC001607509313 1288721810 /nfs/dbraw/zinc/72/18/10/1288721810.db2.gz VVRCJGQJVQOQKZ-QMMMGPOBSA-N -2 0 372.790 0.762 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CC2(CCOCC2)[C@@H]1C(=O)[O-] ZINC001607519169 1288723934 /nfs/dbraw/zinc/72/39/34/1288723934.db2.gz VFMDJJUWGCGDPU-ZDUSSCGKSA-N -2 0 369.395 0.948 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])ccc1-n1cncn1 ZINC001607579725 1288727307 /nfs/dbraw/zinc/72/73/07/1288727307.db2.gz DRIIIJZWAAILCC-GHMZBOCLSA-N -2 0 366.399 0.745 20 0 FCADRL Cc1cc(C(=O)N[C@]2(C(=O)[O-])CCSC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001607578492 1288727512 /nfs/dbraw/zinc/72/75/12/1288727512.db2.gz JLQGKPVWNJABAM-CQSZACIVSA-N -2 0 350.356 0.435 20 0 FCADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001607926634 1288748108 /nfs/dbraw/zinc/74/81/08/1288748108.db2.gz GWRLAESAHPCKOE-AMIZOPFISA-N -2 0 361.397 0.476 20 0 FCADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cc1F ZINC001607998120 1288757203 /nfs/dbraw/zinc/75/72/03/1288757203.db2.gz LKNIAYYPTUGCLC-UHFFFAOYSA-N -2 0 355.347 0.993 20 0 FCADRL Cc1oc(C(=O)[O-])cc1C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001608032624 1288761335 /nfs/dbraw/zinc/76/13/35/1288761335.db2.gz OFXVPCUHURASMX-JTQLQIEISA-N -2 0 364.354 0.824 20 0 FCADRL Cn1cc(C[C@H]2CCC[C@H]2[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cn1 ZINC001608109291 1288770600 /nfs/dbraw/zinc/77/06/00/1288770600.db2.gz AMOALBHGLPVMRO-GHMZBOCLSA-N -2 0 354.388 0.796 20 0 FCADRL Cn1cc(C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)C(=O)[O-])cn1 ZINC001608111314 1288771553 /nfs/dbraw/zinc/77/15/53/1288771553.db2.gz ZGQCUCFKZWZGGV-NSHDSACASA-N -2 0 371.346 0.232 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])no2)c(C(F)(F)F)n1 ZINC001608122034 1288774474 /nfs/dbraw/zinc/77/44/74/1288774474.db2.gz REAIIQMGHCDLLM-UHFFFAOYSA-N -2 0 368.249 0.244 20 0 FCADRL Cn1ccc([C@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)C(=O)[O-])n1 ZINC001608125865 1288775828 /nfs/dbraw/zinc/77/58/28/1288775828.db2.gz YLLTVHFEIFVJJJ-LBPRGKRZSA-N -2 0 373.394 0.511 20 0 FCADRL Cn1ccc([C@@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)C(=O)[O-])n1 ZINC001608125864 1288776059 /nfs/dbraw/zinc/77/60/59/1288776059.db2.gz YLLTVHFEIFVJJJ-GFCCVEGCSA-N -2 0 373.394 0.511 20 0 FCADRL Cn1cnc2cc(C(=O)[N-]S(=O)(=O)N3CCC(C(=O)[O-])CC3)ccc21 ZINC001608135976 1288778618 /nfs/dbraw/zinc/77/86/18/1288778618.db2.gz DATMSGMMANMLDJ-UHFFFAOYSA-N -2 0 366.399 0.345 20 0 FCADRL O=C([O-])c1cnc(S(=O)(=O)CC(=O)NCCc2ccc(Cl)cc2)[n-]1 ZINC001608353006 1288828803 /nfs/dbraw/zinc/82/88/03/1288828803.db2.gz NZZPKROVDNMNDD-UHFFFAOYSA-N -2 0 371.802 0.894 20 0 FCADRL O=C([O-])c1cc(NC(=O)Cn2c(=O)[n-][nH]c2=O)ccc1Br ZINC001608372988 1288832266 /nfs/dbraw/zinc/83/22/66/1288832266.db2.gz BWEFCOIJQSTOOK-UHFFFAOYSA-N -2 0 357.120 0.789 20 0 FCADRL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1nc[nH]c1Br ZINC001608530421 1288854881 /nfs/dbraw/zinc/85/48/81/1288854881.db2.gz UDWRPLLPMSVSIQ-GSVOUGTGSA-N -2 0 366.115 0.856 20 0 FCADRL O=C([O-])[C@@]1(O)CCN(S(=O)(=O)c2c([O-])cccc2OC(F)(F)F)C1 ZINC001608578618 1288856656 /nfs/dbraw/zinc/85/66/56/1288856656.db2.gz IFVZFDCPNAWYTF-LLVKDONJSA-N -2 0 371.289 0.501 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC001608677131 1288863160 /nfs/dbraw/zinc/86/31/60/1288863160.db2.gz UPYWYKAZYKFMPG-OAHLLOKOSA-N -3 0 371.367 0.466 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)N2CC[C@H]([C@@H]3CCCO3)[C@H]2C(=O)[O-])CC1 ZINC001608681526 1288863224 /nfs/dbraw/zinc/86/32/24/1288863224.db2.gz UUDXXGNNQDLFLR-MDZLAQPJSA-N -2 0 361.416 0.525 20 0 FCADRL O=C([O-])CCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC001608715864 1288868288 /nfs/dbraw/zinc/86/82/88/1288868288.db2.gz JRTLLQHFJWXZOJ-UHFFFAOYSA-N -2 0 353.356 0.582 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CC[S@@](=O)Cc2ccccc2)on1 ZINC001608861539 1288877180 /nfs/dbraw/zinc/87/71/80/1288877180.db2.gz YPFVLQQKCVQCRL-JOCHJYFZSA-N -2 0 358.397 0.600 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCN(c3cccnc3)C2=O)on1 ZINC001608860731 1288877455 /nfs/dbraw/zinc/87/74/55/1288877455.db2.gz YEALGJGMQVKCAQ-SNVBAGLBSA-N -2 0 366.355 0.242 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cn1 ZINC001608909694 1288878969 /nfs/dbraw/zinc/87/89/69/1288878969.db2.gz VHEPHVZSRYOIBB-QMMMGPOBSA-N -2 0 353.360 0.172 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2ccc3n[nH]c(=O)n3c2)c1 ZINC001608938306 1288879546 /nfs/dbraw/zinc/87/95/46/1288879546.db2.gz YKCLSJCESJRRSP-UHFFFAOYSA-N -2 0 362.323 0.252 20 0 FCADRL O=C([O-])c1ccccc1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609572763 1289234673 /nfs/dbraw/zinc/23/46/73/1289234673.db2.gz LXMJBPWQCLTNDH-UHFFFAOYSA-N -2 0 363.355 0.679 20 0 FCADRL O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001609572474 1289234708 /nfs/dbraw/zinc/23/47/08/1289234708.db2.gz ZHHLVOAYRYNAIQ-KYZUINATSA-N -2 0 355.376 0.629 20 0 FCADRL O=C([O-])[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609571768 1289235016 /nfs/dbraw/zinc/23/50/16/1289235016.db2.gz BXHHACOZFIBHTI-JTQLQIEISA-N -2 0 361.339 0.664 20 0 FCADRL O=C(OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)c1ccc(CO)o1 ZINC001609576078 1289236692 /nfs/dbraw/zinc/23/66/92/1289236692.db2.gz ZDMGXLBVWMQQQO-UHFFFAOYSA-N -2 0 357.286 0.057 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C[S@@](C)=O)c1 ZINC001609638211 1289270298 /nfs/dbraw/zinc/27/02/98/1289270298.db2.gz BXEICJVFFYPTEV-UIBAUYSRSA-N -2 0 361.441 0.734 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCc1cccc2c1OCO2 ZINC001609638701 1289270701 /nfs/dbraw/zinc/27/07/01/1289270701.db2.gz JSYQJSWBRPJKBT-UWVGGRQHSA-N -2 0 357.384 0.903 20 0 FCADRL C[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC001609639502 1289270786 /nfs/dbraw/zinc/27/07/86/1289270786.db2.gz YRMPYKBLUWWCCM-IWSPIJDZSA-N -2 0 352.409 0.455 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CNC(=O)CCC1CCCC1 ZINC001609639496 1289270828 /nfs/dbraw/zinc/27/08/28/1289270828.db2.gz YPPMUMSPUHNFSA-GHMZBOCLSA-N -2 0 362.448 0.628 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)CCC1CCCC1 ZINC001609639499 1289270967 /nfs/dbraw/zinc/27/09/67/1289270967.db2.gz YPPMUMSPUHNFSA-WDEREUQCSA-N -2 0 362.448 0.628 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)N(C)C)cc1 ZINC001609639515 1289271261 /nfs/dbraw/zinc/27/12/61/1289271261.db2.gz YTMYEUJRDDNWFS-ZJUUUORDSA-N -2 0 356.400 0.557 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C[C@@H](c1ccccc1)N1CCOC1=O ZINC001609642521 1289271587 /nfs/dbraw/zinc/27/15/87/1289271587.db2.gz VHUQXTKZCLWFJZ-JQWIXIFHSA-N -2 0 370.383 0.489 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CN(C)C(=O)OCc1ccccc1 ZINC001609642387 1289271704 /nfs/dbraw/zinc/27/17/04/1289271704.db2.gz POMOZAPHOJUGIK-JTQLQIEISA-N -2 0 358.372 0.174 20 0 FCADRL CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])[C@H]2C1 ZINC001609664210 1289276436 /nfs/dbraw/zinc/27/64/36/1289276436.db2.gz DSTLBSHVWLSXRZ-JZYVYDRUSA-N -2 0 362.404 0.020 20 0 FCADRL C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC001609734489 1289288170 /nfs/dbraw/zinc/28/81/70/1289288170.db2.gz ANVXGRGLXIKAQV-MRVPVSSYSA-N -2 0 365.791 0.884 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])[C@@H](C(=O)[O-])[C@H](C)O1 ZINC001609873873 1289322743 /nfs/dbraw/zinc/32/27/43/1289322743.db2.gz GCPQQKIQUFKDKF-RGNHYFCHSA-N -2 0 361.347 0.775 20 0 FCADRL CC[C@H]1[C@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001609952197 1289333538 /nfs/dbraw/zinc/33/35/38/1289333538.db2.gz WDXWFJTVVUKXHA-ZJUUUORDSA-N -2 0 364.420 0.553 20 0 FCADRL CCOC(=O)CC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1)C(=O)[O-] ZINC001610016038 1289345918 /nfs/dbraw/zinc/34/59/18/1289345918.db2.gz HPDMKECWMDACDW-LBPRGKRZSA-N -2 0 373.383 0.768 20 0 FCADRL CCOC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC2)cc1 ZINC001610018817 1289346595 /nfs/dbraw/zinc/34/65/95/1289346595.db2.gz KRMDCQSCBLAFDW-UHFFFAOYSA-N -2 0 370.383 0.602 20 0 FCADRL CCO[C@@H]1C[C@@](NS(=O)(=O)CC2(CC(=O)[O-])CC2)(C(=O)[O-])C1(C)C ZINC001610032576 1289352916 /nfs/dbraw/zinc/35/29/16/1289352916.db2.gz UBVAZALYQYGAMX-MEBBXXQBSA-N -2 0 363.432 0.819 20 0 FCADRL CCOC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-])C(=O)[O-] ZINC001610036783 1289354789 /nfs/dbraw/zinc/35/47/89/1289354789.db2.gz IMACEXIXUXVMQQ-SECBINFHSA-N -2 0 351.764 0.806 20 0 FCADRL CCc1ccc(CC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC001610061181 1289361037 /nfs/dbraw/zinc/36/10/37/1289361037.db2.gz MAHMNBATFBEADQ-UHFFFAOYSA-N -2 0 354.428 0.949 20 0 FCADRL CCc1noc2ncc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc12 ZINC001610075913 1289363832 /nfs/dbraw/zinc/36/38/32/1289363832.db2.gz WUUKSECZGWCWKP-UHFFFAOYSA-N -2 0 355.372 0.956 20 0 FCADRL COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001610150018 1289399494 /nfs/dbraw/zinc/39/94/94/1289399494.db2.gz AIYCHYBDSUCHRX-QWRGUYRKSA-N -2 0 371.411 0.961 20 0 FCADRL COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cc1F ZINC001610150828 1289400532 /nfs/dbraw/zinc/40/05/32/1289400532.db2.gz PQMHBFWIPCPESV-SFYZADRCSA-N -2 0 361.347 0.781 20 0 FCADRL COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001610152549 1289400926 /nfs/dbraw/zinc/40/09/26/1289400926.db2.gz YMMHTEZMYBIYRZ-SECBINFHSA-N -2 0 351.290 0.463 20 0 FCADRL COC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC001610218489 1289430142 /nfs/dbraw/zinc/43/01/42/1289430142.db2.gz HGSWKHBORVATKS-UHFFFAOYSA-N -2 0 369.355 0.714 20 0 FCADRL CO[C@@H](C)CS(=O)(=O)[N-]c1cc(F)ccc1C(=O)N[C@H](C)C(=O)[O-] ZINC001610225383 1289432228 /nfs/dbraw/zinc/43/22/28/1289432228.db2.gz QAUVEMQMELXBPU-DTWKUNHWSA-N -2 0 362.379 0.805 20 0 FCADRL CO[C@@H]1CCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)[C@H](C(=O)[O-])C1 ZINC001610236076 1289433544 /nfs/dbraw/zinc/43/35/44/1289433544.db2.gz BYWWLTITXAVYKQ-UTLUCORTSA-N -2 0 354.325 0.780 20 0 FCADRL COCC1(C(=O)[O-])CCN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)CC1 ZINC001610248161 1289437917 /nfs/dbraw/zinc/43/79/17/1289437917.db2.gz NUYAKRYKPJOWGW-UHFFFAOYSA-N -2 0 363.432 0.774 20 0 FCADRL COCCOCc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])ccc1F ZINC001610261608 1289442063 /nfs/dbraw/zinc/44/20/63/1289442063.db2.gz FBNHFZMAVOILRX-SECBINFHSA-N -2 0 363.363 0.521 20 0 FCADRL COCCn1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)n1 ZINC001610267693 1289446506 /nfs/dbraw/zinc/44/65/06/1289446506.db2.gz QJFDGFYXZLAPRX-UHFFFAOYSA-N -2 0 367.383 0.488 20 0 FCADRL COc1cc(S(=O)(=O)N[C@H](Cc2ccco2)C(=O)[O-])ccc1C(=O)[O-] ZINC001610305731 1289456891 /nfs/dbraw/zinc/45/68/91/1289456891.db2.gz CRZVCZYZLOSAFY-GFCCVEGCSA-N -2 0 369.351 0.961 20 0 FCADRL COc1ccc(Br)c(CC(=O)[N-]S(=O)(=O)CC(=O)[O-])c1 ZINC001610311838 1289457937 /nfs/dbraw/zinc/45/79/37/1289457937.db2.gz SEVVTSBWQHQREQ-UHFFFAOYSA-N -2 0 366.189 0.531 20 0 FCADRL COc1ccc(C(=O)CCCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1 ZINC001610314032 1289458771 /nfs/dbraw/zinc/45/87/71/1289458771.db2.gz LPZNQSALSMVYHA-JTQLQIEISA-N -2 0 357.384 0.967 20 0 FCADRL COc1ccc([C@H](CC(=O)[N-]S(=O)(=O)CCC(=O)[O-])NC(C)=O)cc1 ZINC001610321543 1289460422 /nfs/dbraw/zinc/46/04/22/1289460422.db2.gz WNTMBHNGZVKWRG-ZDUSSCGKSA-N -2 0 372.399 0.183 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@H](C)[C@H]2C(=O)[O-])c(CC(=O)[O-])c1 ZINC001610345277 1289465555 /nfs/dbraw/zinc/46/55/55/1289465555.db2.gz PWJWEIPYUOJQAT-XPTSAGLGSA-N -2 0 357.384 0.806 20 0 FCADRL COc1ccc(S(=O)(=O)NCCCCC(=O)[O-])c(OC)c1C(=O)[O-] ZINC001610345412 1289465781 /nfs/dbraw/zinc/46/57/81/1289465781.db2.gz AVXWGEUNQMWUPY-UHFFFAOYSA-N -2 0 361.372 0.935 20 0 FCADRL COc1ccc(S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-])c(OC)c1C(=O)[O-] ZINC001610346110 1289466597 /nfs/dbraw/zinc/46/65/97/1289466597.db2.gz VPCVEJBKDFZHGO-MRVPVSSYSA-N -2 0 361.372 0.743 20 0 FCADRL COc1ncc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])cc1Cl ZINC001610370934 1289470883 /nfs/dbraw/zinc/47/08/83/1289470883.db2.gz MRRWRVAJAAXSPW-RNFRBKRXSA-N -2 0 350.780 0.912 20 0 FCADRL COc1ncc(C(=O)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cn1 ZINC001610370379 1289471087 /nfs/dbraw/zinc/47/10/87/1289471087.db2.gz CHFARAQQSVKOAL-UHFFFAOYSA-N -2 0 373.293 0.580 20 0 FCADRL COc1nc(C(=O)O[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc(=O)[n-]1 ZINC001610370677 1289471353 /nfs/dbraw/zinc/47/13/53/1289471353.db2.gz VCLPZQCHQTVJEK-QMMMGPOBSA-N -2 0 353.331 0.059 20 0 FCADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)Cc1cn(C)nn1 ZINC001610400261 1289480606 /nfs/dbraw/zinc/48/06/06/1289480606.db2.gz XEAMKTVKLLEOKN-SECBINFHSA-N -2 0 354.388 0.644 20 0 FCADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)Cc1cn(C)nn1 ZINC001610400263 1289481188 /nfs/dbraw/zinc/48/11/88/1289481188.db2.gz XEAMKTVKLLEOKN-VIFPVBQESA-N -2 0 354.388 0.644 20 0 FCADRL Cc1c(Cl)c(C(=O)[O-])sc1S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC001610427858 1289486223 /nfs/dbraw/zinc/48/62/23/1289486223.db2.gz DGXXTOGWYCVCBO-UHFFFAOYSA-N -2 0 367.792 0.605 20 0 FCADRL Cc1cc(C)n(C[C@@H](NS(=O)(=O)c2ccsc2C(=O)[O-])C(=O)[O-])n1 ZINC001610455453 1289489046 /nfs/dbraw/zinc/48/90/46/1289489046.db2.gz LKTDFHCHATULRB-SECBINFHSA-N -2 0 373.412 0.691 20 0 FCADRL Cc1ccc([C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C(=O)[O-])cc1C ZINC001610494809 1289495471 /nfs/dbraw/zinc/49/54/71/1289495471.db2.gz WNNCSYDMRKWZSP-CQSZACIVSA-N -2 0 355.354 0.630 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc([C@@H]3CCCO3)nn2C)c1C(=O)[O-] ZINC001610550080 1289507224 /nfs/dbraw/zinc/50/72/24/1289507224.db2.gz WQFGRCLMSBGNRZ-VIFPVBQESA-N -2 0 355.376 0.802 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]C(C)(C)[C@@H](O)C(=O)[O-])sc1Br ZINC001610560736 1289510517 /nfs/dbraw/zinc/51/05/17/1289510517.db2.gz NIGYJNRNDUGXBI-YFKPBYRVSA-N -2 0 373.250 0.716 20 0 FCADRL Cc1ncccc1/C=C/C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001610566346 1289512418 /nfs/dbraw/zinc/51/24/18/1289512418.db2.gz CCFMXZPPXKLYID-SNAWJCMRSA-N -2 0 353.400 0.561 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC001610581795 1289516713 /nfs/dbraw/zinc/51/67/13/1289516713.db2.gz UFHXEJYFNCOQII-SNVBAGLBSA-N -2 0 372.399 0.596 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001610581800 1289516948 /nfs/dbraw/zinc/51/69/48/1289516948.db2.gz UIBRNSYKFMBZBA-QMMMGPOBSA-N -2 0 353.356 0.619 20 0 FCADRL Cn1c(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc2ccccc21 ZINC001610597471 1289521809 /nfs/dbraw/zinc/52/18/09/1289521809.db2.gz YVIUTTGEGYLYEM-UHFFFAOYSA-N -2 0 365.411 0.950 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ncccc2N2CCOCC2)cc1C(=O)[O-] ZINC001610607005 1289525673 /nfs/dbraw/zinc/52/56/73/1289525673.db2.gz BSLMAOXYUMLGQN-UHFFFAOYSA-N -2 0 366.399 0.756 20 0 FCADRL NC(=O)[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC001610636493 1289535841 /nfs/dbraw/zinc/53/58/41/1289535841.db2.gz WRKBFOFLTWOFLP-VHSXEESVSA-N -2 0 354.384 0.481 20 0 FCADRL O=C([O-])[C@H](CC(F)F)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC001610677170 1289549417 /nfs/dbraw/zinc/54/94/17/1289549417.db2.gz WKRMIENKHLIPSF-VIFPVBQESA-N -2 0 357.338 0.910 20 0 FCADRL O=C([O-])c1cc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc2[nH]ccc21 ZINC001610677305 1289549757 /nfs/dbraw/zinc/54/97/57/1289549757.db2.gz KSCFHSDRCUJIFP-UHFFFAOYSA-N -2 0 352.310 0.889 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)CCC3)CC1 ZINC001610702002 1289560701 /nfs/dbraw/zinc/56/07/01/1289560701.db2.gz TWYITQQGNAOQGJ-UHFFFAOYSA-N -2 0 352.412 0.947 20 0 FCADRL O=C([O-])C1(CNS(=O)(=O)CC2(C(=O)[O-])CCCCC2)CCOCC1 ZINC001610727331 1289569425 /nfs/dbraw/zinc/56/94/25/1289569425.db2.gz JNOWDYWBWZBLOO-UHFFFAOYSA-N -2 0 363.432 0.822 20 0 FCADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3n[nH]nc3c2)C1 ZINC001610740732 1289573900 /nfs/dbraw/zinc/57/39/00/1289573900.db2.gz DTIZDBKUJFKLTQ-RKDXNWHRSA-N -2 0 352.372 0.654 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)C[C@H]1C(=O)[O-] ZINC001610744739 1289574815 /nfs/dbraw/zinc/57/48/15/1289574815.db2.gz LBFQYKMLOFDBQW-VHSXEESVSA-N -3 0 363.388 0.069 20 0 FCADRL O=C([O-])[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1 ZINC001610741788 1289574980 /nfs/dbraw/zinc/57/49/80/1289574980.db2.gz FWNVQYZPJCBUAV-BFHYXJOUSA-N -2 0 360.366 0.246 20 0 FCADRL O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(C(=O)[O-])cc2)C1 ZINC001610760530 1289582215 /nfs/dbraw/zinc/58/22/15/1289582215.db2.gz TVJITHBBJBKTAP-ZDUSSCGKSA-N -2 0 362.382 0.757 20 0 FCADRL O=C([O-])CCN(Cc1ccncc1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001610773700 1289586172 /nfs/dbraw/zinc/58/61/72/1289586172.db2.gz RAAMLZLTALLHMF-UHFFFAOYSA-N -2 0 353.356 0.774 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC001610775247 1289587196 /nfs/dbraw/zinc/58/71/96/1289587196.db2.gz LBJLUQFFEVTYBP-CYBMUJFWSA-N -2 0 358.391 0.711 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC001610775272 1289587712 /nfs/dbraw/zinc/58/77/12/1289587712.db2.gz MNCKGAFEDUFRJX-ZDUSSCGKSA-N -2 0 357.384 0.779 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)c1cccc(OCC(F)(F)F)n1 ZINC001610775303 1289587777 /nfs/dbraw/zinc/58/77/77/1289587777.db2.gz OOQKZKGMLJEIHU-UHFFFAOYSA-N -2 0 356.278 0.557 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC001610789502 1289594960 /nfs/dbraw/zinc/59/49/60/1289594960.db2.gz VKNPTDHZBKHXKQ-UHFFFAOYSA-N -2 0 372.399 0.946 20 0 FCADRL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N3CCCC[C@H]3CO)cc2)[nH]1 ZINC001610791328 1289595023 /nfs/dbraw/zinc/59/50/23/1289595023.db2.gz AJOSKSDIKWZTMK-HNNXBMFYSA-N -2 0 359.382 0.780 20 0 FCADRL O=C([O-])c1ccc(NS(=O)(=O)[N-]C(=O)C[C@@H]2CCCC(=O)N2)cc1 ZINC001610882980 1289616421 /nfs/dbraw/zinc/61/64/21/1289616421.db2.gz UNANEBQEXUHWJB-NSHDSACASA-N -2 0 355.372 0.217 20 0 FCADRL O=C1[N-]OC[C@H]1[N-]S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000393767236 836062562 /nfs/dbraw/zinc/06/25/62/836062562.db2.gz BKBUPFVBTGUXPC-SSDOTTSWSA-N -2 0 357.132 0.436 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)cn1 ZINC000749144489 836343446 /nfs/dbraw/zinc/34/34/46/836343446.db2.gz ZSHJLFOBAAKFEO-UHFFFAOYSA-N -2 0 370.362 0.576 20 0 FCADRL CN1C[C@@]2(CCN(C(=O)c3ccccc3OP(=O)([O-])[O-])C2)OCC1=O ZINC001276295867 861396822 /nfs/dbraw/zinc/39/68/22/861396822.db2.gz JIBAJLBTWLIJKX-OAHLLOKOSA-N -2 0 370.298 0.231 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001153001334 849732171 /nfs/dbraw/zinc/73/21/71/849732171.db2.gz LCXZWIQUCOVLBP-QMMMGPOBSA-N -2 0 354.367 0.340 20 0 FCADRL CCNS(=O)(=O)c1cnc(NCCOP(=O)([O-])[O-])c(Cl)c1 ZINC001168590192 850590277 /nfs/dbraw/zinc/59/02/77/850590277.db2.gz VBVXTBXQHPWEBM-UHFFFAOYSA-N -2 0 359.728 0.554 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])C1CCN(c2cc(Cl)ncn2)CC1 ZINC001177682406 850859695 /nfs/dbraw/zinc/85/96/95/850859695.db2.gz ICRZBBGJLAWEFJ-UHFFFAOYSA-N -2 0 364.726 0.572 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])[C@H]1CCCN1C(=O)Oc1ccccc1 ZINC001180340955 851026449 /nfs/dbraw/zinc/02/64/49/851026449.db2.gz LXEHFLLFELWLEI-GFCCVEGCSA-N -2 0 358.287 0.875 20 0 FCADRL CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NCCOP(=O)([O-])[O-])C1 ZINC001182543355 851178952 /nfs/dbraw/zinc/17/89/52/851178952.db2.gz YJLINTZVTNFQGP-JTQLQIEISA-N -2 0 368.323 0.238 20 0 FCADRL CSc1ncc([O-])c(C(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)n1 ZINC001185186357 851341523 /nfs/dbraw/zinc/34/15/23/851341523.db2.gz OFZZYJYYHNADKD-UHFFFAOYSA-N -2 0 366.380 0.589 20 0 FCADRL CC(=O)N/C(=C/c1cc(F)ccc1F)C(=O)NCCOP(=O)([O-])[O-] ZINC001185736064 851384968 /nfs/dbraw/zinc/38/49/68/851384968.db2.gz ZFIMZPZAICZJGK-KPKJPENVSA-N -2 0 364.241 0.667 20 0 FCADRL Cc1nn(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1C(N)=O ZINC001185871713 851394260 /nfs/dbraw/zinc/39/42/60/851394260.db2.gz USYHDFXZBYGLFF-UHFFFAOYSA-N -2 0 352.372 0.635 20 0 FCADRL CSc1[nH]nc(NC(=O)c2ccccc2OP(=O)([O-])[O-])c1C(N)=O ZINC001189871866 851833572 /nfs/dbraw/zinc/83/35/72/851833572.db2.gz OMMPJZKCJZROKB-UHFFFAOYSA-N -2 0 372.299 0.954 20 0 FCADRL CC(C)(C)OC(=O)[C@H](CO)NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189899305 851838644 /nfs/dbraw/zinc/83/86/44/851838644.db2.gz NZNFKAIVJRMNSO-JTQLQIEISA-N -2 0 361.287 0.591 20 0 FCADRL O=C(NCC1(N2CCCC2)COC1)c1ccccc1OP(=O)([O-])[O-] ZINC001189900091 851839385 /nfs/dbraw/zinc/83/93/85/851839385.db2.gz PNNPENROGJKJRU-UHFFFAOYSA-N -2 0 356.315 0.753 20 0 FCADRL CNC(=O)C1CCN(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)CC1 ZINC001189914380 851841475 /nfs/dbraw/zinc/84/14/75/851841475.db2.gz NLGLZUMWQUFCMR-UHFFFAOYSA-N -2 0 370.383 0.230 20 0 FCADRL C[C@@]1(O)CCN(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)C[C@@H]1F ZINC001189922813 851843172 /nfs/dbraw/zinc/84/31/72/851843172.db2.gz CJSVLTJMQYHUJV-SMDDNHRTSA-N -2 0 361.347 0.567 20 0 FCADRL O=C([O-])c1cc(C(=O)N[C@H]2CC23CCOCC3)cc(S(=O)(=O)[O-])c1 ZINC001189933942 851845248 /nfs/dbraw/zinc/84/52/48/851845248.db2.gz PWFIRGLDMZOLAW-LBPRGKRZSA-N -2 0 355.368 0.930 20 0 FCADRL NC(=O)[C@@H]1CCC2(CN(C(=O)c3ccccc3OP(=O)([O-])[O-])C2)O1 ZINC001278367283 862308044 /nfs/dbraw/zinc/30/80/44/862308044.db2.gz YPLSTWJBPVKHGA-NSHDSACASA-N -2 0 356.271 0.017 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]c2onc(C)c2C(N)=O)cc1C(=O)[O-] ZINC001192608120 852263603 /nfs/dbraw/zinc/26/36/03/852263603.db2.gz DKYFPWWMLWSJCF-UHFFFAOYSA-N -2 0 369.355 0.980 20 0 FCADRL CN(C)c1nccnc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192685690 852275773 /nfs/dbraw/zinc/27/57/73/852275773.db2.gz DJWKICJDTCMWLT-UHFFFAOYSA-N -2 0 352.372 0.807 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)NCC[P@](=O)([O-])O)c(Cl)cc1F ZINC001194025465 852527380 /nfs/dbraw/zinc/52/73/80/852527380.db2.gz HQUDBLNSSALDDK-UHFFFAOYSA-N -2 0 361.671 0.633 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)NCCCC[P@](=O)([O-])O)c(F)cc1F ZINC001195253761 852731337 /nfs/dbraw/zinc/73/13/37/852731337.db2.gz CRZZVRYUJGTNSD-UHFFFAOYSA-N -2 0 373.270 0.899 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1nccn(Cc2ccc(F)cc2)c1=O ZINC001196121257 852894753 /nfs/dbraw/zinc/89/47/53/852894753.db2.gz YRWADRMHHIXXMO-UHFFFAOYSA-N -2 0 371.261 0.270 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cnc(NCC2CCOCC2)nc1 ZINC001198682229 853301528 /nfs/dbraw/zinc/30/15/28/853301528.db2.gz MKPMUWSVNXZCFQ-UHFFFAOYSA-N -2 0 360.307 0.154 20 0 FCADRL COCNC(=S)Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001198835533 853331812 /nfs/dbraw/zinc/33/18/12/853331812.db2.gz WPGYVZPNUFTHAQ-UHFFFAOYSA-N -2 0 356.403 0.070 20 0 FCADRL CC(C)NC(=S)Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001200786788 853511263 /nfs/dbraw/zinc/51/12/63/853511263.db2.gz NXZRSEPGNHRHQN-UHFFFAOYSA-N -2 0 354.431 0.875 20 0 FCADRL COC(=O)[C@H](OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1ccccc1Cl ZINC001223022639 856891487 /nfs/dbraw/zinc/89/14/87/856891487.db2.gz IWXOWWQVDVAXDH-KPXOXKRLSA-N -2 0 374.729 0.634 20 0 FCADRL COC(=O)[C@H](OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1ccccc1Cl ZINC001223022637 856891503 /nfs/dbraw/zinc/89/15/03/856891503.db2.gz IWXOWWQVDVAXDH-GGZOMVNGSA-N -2 0 374.729 0.634 20 0 FCADRL CCOC(=O)[C@H](OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1ccccc1 ZINC001223617787 856932866 /nfs/dbraw/zinc/93/28/66/856932866.db2.gz GXSRIECWVIZYNR-CYZMBNFOSA-N -2 0 354.311 0.370 20 0 FCADRL O=C([O-])C[C@@H](C(=O)OCCOc1ccc2c(c1)CCC2)[C@@H](O)C(=O)[O-] ZINC001224303956 856977954 /nfs/dbraw/zinc/97/79/54/856977954.db2.gz GHGAMPRCUOGKBV-UKRRQHHQSA-N -2 0 352.339 0.634 20 0 FCADRL CCOC(=O)CCCCCCCOC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001224371250 856981603 /nfs/dbraw/zinc/98/16/03/856981603.db2.gz FQWQJRLKOXFPMC-BXUZGUMPSA-N -2 0 362.375 0.970 20 0 FCADRL COc1cc(CCOC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(OC)c1 ZINC001224975270 857011031 /nfs/dbraw/zinc/01/10/31/857011031.db2.gz GMMKOJJTRINFMI-GXTWGEPZSA-N -2 0 356.327 0.326 20 0 FCADRL COc1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(OC)c1OC ZINC001225313561 857033412 /nfs/dbraw/zinc/03/34/12/857033412.db2.gz UKJMITYCUPWXLR-PELKAZGASA-N -2 0 358.299 0.154 20 0 FCADRL COc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(OC)c1OC ZINC001225313569 857033732 /nfs/dbraw/zinc/03/37/32/857033732.db2.gz UKJMITYCUPWXLR-QPUJVOFHSA-N -2 0 358.299 0.154 20 0 FCADRL COc1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])ccc1Br ZINC001225428547 857040609 /nfs/dbraw/zinc/04/06/09/857040609.db2.gz SPANZQUZQWFRAR-MRVPVSSYSA-N -2 0 371.076 0.833 20 0 FCADRL Nc1nc(-c2ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc2)cs1 ZINC001226027032 857079623 /nfs/dbraw/zinc/07/96/23/857079623.db2.gz STTLENKLHPMLNW-CABZTGNLSA-N -2 0 366.351 0.834 20 0 FCADRL O=C(Oc1cc(=O)[nH]c(-c2ccccc2)n1)[C@H](O)COP(=O)([O-])[O-] ZINC001226184613 857088616 /nfs/dbraw/zinc/08/86/16/857088616.db2.gz HSHPDTJZVWTAMI-SECBINFHSA-N -2 0 356.227 0.225 20 0 FCADRL Cc1cc(C(F)(F)F)ncc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001226406143 857103180 /nfs/dbraw/zinc/10/31/80/857103180.db2.gz WWAQPVTWMNTLBG-LDWIPMOCSA-N -2 0 351.233 0.851 20 0 FCADRL CCOC(=O)c1c(Cl)cccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001226791603 857125970 /nfs/dbraw/zinc/12/59/70/857125970.db2.gz JXXQRPGBFNNZAN-KRTXAFLBSA-N -2 0 374.729 0.959 20 0 FCADRL COC(=O)c1cccc(Cl)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001226984381 857135827 /nfs/dbraw/zinc/13/58/27/857135827.db2.gz ZETSUIRNSKZBEE-XCBNKYQSSA-N -2 0 360.702 0.568 20 0 FCADRL Cc1[n-]c(=O)nc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])c1Cl ZINC001227110641 857141246 /nfs/dbraw/zinc/14/12/46/857141246.db2.gz BRFHCODCPAINAC-VIFPVBQESA-N -2 0 367.811 0.111 20 0 FCADRL COc1cc(CCC(C)=O)ccc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001227532711 857163716 /nfs/dbraw/zinc/16/37/16/857163716.db2.gz ZNSIAWBPQJVVQX-LLVKDONJSA-N -2 0 362.271 0.592 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccn(-c2ccc(Cl)cc2)n1)[C@@H](O)C(=O)[O-] ZINC001228003324 857188485 /nfs/dbraw/zinc/18/84/85/857188485.db2.gz WMZWZTHEKUDPJO-ZWNOBZJWSA-N -2 0 368.729 0.968 20 0 FCADRL O=C([O-])C[C@@H](O)C(=O)Oc1[n-]c(=O)nc2cc(Br)ccc21 ZINC001228066528 857190507 /nfs/dbraw/zinc/19/05/07/857190507.db2.gz ACBXKPVRSMZKCV-MRVPVSSYSA-N -2 0 357.116 0.839 20 0 FCADRL CCOC(=O)c1ccc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001228104292 857191367 /nfs/dbraw/zinc/19/13/67/857191367.db2.gz MYMHSINZALZXII-PRHODGIISA-N -2 0 356.283 0.011 20 0 FCADRL COc1cc(C(C)=O)cc(OC)c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001228240988 857198374 /nfs/dbraw/zinc/19/83/74/857198374.db2.gz DPJRXZLODBJJSM-SECBINFHSA-N -2 0 364.243 0.282 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc2cc(Cl)cnc2n1)[C@H](O)C(=O)[O-] ZINC001228384084 857207621 /nfs/dbraw/zinc/20/76/21/857207621.db2.gz DPKQBKYHPJPLJT-KWQFWETISA-N -2 0 354.702 0.725 20 0 FCADRL O=C(Oc1ccc(Br)c(F)n1)[C@H](O)COP(=O)([O-])[O-] ZINC001229238357 857260313 /nfs/dbraw/zinc/26/03/13/857260313.db2.gz FVSOHMFNEZVHPU-RXMQYKEDSA-N -2 0 360.028 0.359 20 0 FCADRL CCC(=O)c1ccc(OC)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001229447957 857271282 /nfs/dbraw/zinc/27/12/82/857271282.db2.gz YGJFVQWPMWPXCM-HZMBPMFUSA-N -2 0 354.311 0.730 20 0 FCADRL O=C([O-])CC[C@@H](O)C(=O)Oc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC001229620070 857279197 /nfs/dbraw/zinc/27/91/97/857279197.db2.gz XSPKBCQHCWBOIJ-MNOVXSKESA-N -2 0 353.352 0.712 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(Cl)c2c1C(=O)CC2)[C@H](O)C(=O)[O-] ZINC001229851324 857289686 /nfs/dbraw/zinc/28/96/86/857289686.db2.gz YFNQENJIVUMVTG-CPFSXVBKSA-N -2 0 356.714 0.911 20 0 FCADRL COc1ccc2nc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])sc2n1 ZINC001229996793 857296568 /nfs/dbraw/zinc/29/65/68/857296568.db2.gz OWQWXSWNPRRDKK-CDUCUWFYSA-N -2 0 356.312 0.142 20 0 FCADRL O=S(=O)([O-])c1cc(O)c(O[C@@H]2COC[C@H]2F)c(S(=O)(=O)[O-])c1 ZINC001230146317 857307321 /nfs/dbraw/zinc/30/73/21/857307321.db2.gz JYNZHIUTXLQQLK-HTRCEHHLSA-N -2 0 358.321 0.001 20 0 FCADRL O=S(=O)([O-])c1cc(O)c(OC2CCOCC2)c(S(=O)(=O)[O-])c1 ZINC001230147118 857307557 /nfs/dbraw/zinc/30/75/57/857307557.db2.gz QUFFRMAFGJOKJB-UHFFFAOYSA-N -2 0 354.358 0.443 20 0 FCADRL COC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(C)c1C ZINC001230981783 857353736 /nfs/dbraw/zinc/35/37/36/857353736.db2.gz VINPPIAXGXFSJP-MFKMUULPSA-N -2 0 354.311 0.532 20 0 FCADRL CCCC(=O)c1ccc([O-])cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001233650525 857388261 /nfs/dbraw/zinc/38/82/61/857388261.db2.gz MDNVQXCLCFODMB-QMTHXVAHSA-N -2 0 354.311 0.817 20 0 FCADRL COC(=O)C[C@H]1CCc2cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])ccc21 ZINC001233779183 857390248 /nfs/dbraw/zinc/39/02/48/857390248.db2.gz JGIAGROWIPTDGQ-ZWNOBZJWSA-N -2 0 374.282 0.655 20 0 FCADRL COC(=O)c1ccc2ccnc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c2c1 ZINC001234009059 857394122 /nfs/dbraw/zinc/39/41/22/857394122.db2.gz LEPRRNNOCOXGHU-LLVKDONJSA-N -2 0 371.238 0.397 20 0 FCADRL COc1cc(F)cc2ccnc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c21 ZINC001234689891 857412112 /nfs/dbraw/zinc/41/21/12/857412112.db2.gz WOKFSPJTKVLUMD-SECBINFHSA-N -2 0 361.218 0.758 20 0 FCADRL CCOc1noc2cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccc21 ZINC001234907362 857415090 /nfs/dbraw/zinc/41/50/90/857415090.db2.gz HCKQHRLPTQCMCI-BXKDBHETSA-N -2 0 353.283 0.668 20 0 FCADRL COCCOc1cnc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cn1 ZINC001260392638 858365765 /nfs/dbraw/zinc/36/57/65/858365765.db2.gz KSRLDJSIPAQBBT-UHFFFAOYSA-N -2 0 369.355 0.706 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1cnc(Cl)cc1Cl)C(=O)[O-] ZINC001329670981 872170104 /nfs/dbraw/zinc/17/01/04/872170104.db2.gz BUCQLOMNOOSIET-YFKPBYRVSA-N -2 0 357.171 0.842 20 0 FCADRL CCOC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CCCC(=O)[O-])cc1 ZINC001330251093 872541756 /nfs/dbraw/zinc/54/17/56/872541756.db2.gz CEEIEVJXFLQUQM-UHFFFAOYSA-N -2 0 372.399 0.993 20 0 FCADRL COc1cc(OC)nc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC000325686265 971236084 /nfs/dbraw/zinc/23/60/84/971236084.db2.gz GGZLNOJOWHTBKL-UHFFFAOYSA-N -2 0 353.356 0.922 20 0 FCADRL C[C@H](C(=O)NC(C)(C)C)N(C)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001573654264 947963591 /nfs/dbraw/zinc/96/35/91/947963591.db2.gz QHFMHVSKBPSHGR-SECBINFHSA-N -2 0 373.421 0.350 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1F ZINC001602765235 971489194 /nfs/dbraw/zinc/48/91/94/971489194.db2.gz PKHFTHLKRHNFED-LLVKDONJSA-N -2 0 362.335 0.380 20 0 FCADRL C[C@@H]1CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C[C@H](C2CC2)O1 ZINC001570975873 950471684 /nfs/dbraw/zinc/47/16/84/950471684.db2.gz XLPDUNIVURQORS-NOZJJQNGSA-N -2 0 356.390 0.614 20 0 FCADRL O=C(N[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1)c1ncccc1O ZINC001571027763 951502489 /nfs/dbraw/zinc/50/24/89/951502489.db2.gz QRYKCKPJYAXMDS-SNVBAGLBSA-N -2 0 367.373 0.156 20 0 FCADRL O=C([O-])CNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ncccn2)c1 ZINC001595102137 951856420 /nfs/dbraw/zinc/85/64/20/951856420.db2.gz VWBXNRCAHDQSAW-UHFFFAOYSA-N -2 0 351.344 0.484 20 0 FCADRL O=C([O-])COCCOCCNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001595115934 951943877 /nfs/dbraw/zinc/94/38/77/951943877.db2.gz FPNYUQZUUZVLJW-UHFFFAOYSA-N -2 0 367.333 0.565 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cc(F)c[nH]1 ZINC001594890651 954519693 /nfs/dbraw/zinc/51/96/93/954519693.db2.gz QWIZRGYVTVIJTO-APPZFPTMSA-N -2 0 351.256 0.890 20 0 FCADRL C[C@H](CC(=O)[O-])NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC001589001311 955326821 /nfs/dbraw/zinc/32/68/21/955326821.db2.gz ISFWSFOCERVIHB-SNVBAGLBSA-N -2 0 356.400 0.770 20 0 FCADRL COC(=O)CCN(CC(=O)[O-])C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001593840205 955353910 /nfs/dbraw/zinc/35/39/10/955353910.db2.gz QNKJSHHXAGNBOG-UHFFFAOYSA-N -2 0 365.317 0.807 20 0 FCADRL Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)c3c[n-]n4c3nccc4=O)C2)cn1 ZINC001594536748 955581123 /nfs/dbraw/zinc/58/11/23/955581123.db2.gz GYRQZNMLBONUAS-MNOVXSKESA-N -2 0 370.369 0.087 20 0 FCADRL C[C@H](C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-])c1cnccn1 ZINC001573363647 958607883 /nfs/dbraw/zinc/60/78/83/958607883.db2.gz KULJIDPRTFMMII-QXEWZRGKSA-N -2 0 374.319 0.703 20 0 FCADRL O=C([O-])[C@@H]1CN(S(=O)(=O)c2c([O-])cccc2OC(F)(F)F)CCO1 ZINC001574661165 962490359 /nfs/dbraw/zinc/49/03/59/962490359.db2.gz HWDBKFSKWIDPBM-VIFPVBQESA-N -2 0 371.289 0.765 20 0 FCADRL O=C([O-])[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@@H]1c1ccccc1 ZINC001549042455 962949964 /nfs/dbraw/zinc/94/99/64/962949964.db2.gz OHFWDGGDQFUWFS-ZIAGYGMSSA-N -2 0 367.365 0.398 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccns1 ZINC001605970227 972976145 /nfs/dbraw/zinc/97/61/45/972976145.db2.gz NRAADFVERGQQEW-SVRRBLITSA-N -2 0 351.306 0.879 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cncs1 ZINC001605970977 972980076 /nfs/dbraw/zinc/98/00/76/972980076.db2.gz TXDWXXUQSDNEPL-XPUUQOCRSA-N -2 0 351.306 0.879 20 0 FCADRL C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC001603387922 972986306 /nfs/dbraw/zinc/98/63/06/972986306.db2.gz CZUDYCDACMKGDJ-MNOVXSKESA-N -2 0 370.427 0.968 20 0 FCADRL Cc1nnccc1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001605444747 973510457 /nfs/dbraw/zinc/51/04/57/973510457.db2.gz SWWMZPWFIQAXAY-UWVGGRQHSA-N -2 0 360.292 0.521 20 0 FCADRL COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)c2cccc(Cl)c2[O-])CCO1 ZINC001604564040 973621217 /nfs/dbraw/zinc/62/12/17/973621217.db2.gz FIGXGKRADJBQPJ-CYBMUJFWSA-N -2 0 365.791 0.536 20 0 FCADRL COC[C@]1(C(=O)[O-])CN(S(=O)(=O)c2cccc(Cl)c2[O-])CCO1 ZINC001604564041 973621440 /nfs/dbraw/zinc/62/14/40/973621440.db2.gz FIGXGKRADJBQPJ-ZDUSSCGKSA-N -2 0 365.791 0.536 20 0 FCADRL CC(C)Oc1cncc(S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-])c1 ZINC001591809851 976037367 /nfs/dbraw/zinc/03/73/67/976037367.db2.gz NKBCXZFUTSPNNQ-UHFFFAOYSA-N -2 0 362.429 0.882 20 0 FCADRL C[C@H](C[C@H]1CCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1)C(=O)[O-] ZINC001592463730 978191435 /nfs/dbraw/zinc/19/14/35/978191435.db2.gz HZUKGXBZLMXNJU-VXGBXAGGSA-N -2 0 362.448 0.851 20 0 FCADRL C[C@](CNC(=O)c1cccc(-n2[n-]nnc2=N)c1)(C(=O)[O-])c1ccccc1 ZINC001592699021 979157320 /nfs/dbraw/zinc/15/73/20/979157320.db2.gz WFTWKIGBXSBWRG-GOSISDBHSA-N -2 0 366.381 0.847 20 0 FCADRL C[C@H](CNS(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1)C(=O)[O-] ZINC001592723362 979231837 /nfs/dbraw/zinc/23/18/37/979231837.db2.gz WMUYSRZMUNHAHA-SSDOTTSWSA-N -2 0 351.764 0.802 20 0 FCADRL CCC(CC)(C(=O)[O-])C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC001595048055 979264096 /nfs/dbraw/zinc/26/40/96/979264096.db2.gz UBNIZVMBPWWMPQ-UHFFFAOYSA-N -2 0 372.399 0.879 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)C1=O ZINC001595371662 980853782 /nfs/dbraw/zinc/85/37/82/980853782.db2.gz KJFLVNAEFVMIPV-AWEZNQCLSA-N -2 0 373.362 0.746 20 0 FCADRL CCC[C@@](C)(NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)[O-] ZINC001595566742 981463823 /nfs/dbraw/zinc/46/38/23/981463823.db2.gz SWHZTVJRBBHYBT-OAHLLOKOSA-N -2 0 372.399 0.423 20 0 FCADRL CCCN(C)S(=O)(=O)[N-]C(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001595839045 982750100 /nfs/dbraw/zinc/75/01/00/982750100.db2.gz HERUYHSMLMJTPL-VIFPVBQESA-N -2 0 367.424 0.057 20 0 FCADRL CCCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-] ZINC001595859585 982791006 /nfs/dbraw/zinc/79/10/06/982791006.db2.gz DIDBREHWXYFFPD-UHFFFAOYSA-N -2 0 365.385 0.718 20 0 FCADRL CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001595003223 982914128 /nfs/dbraw/zinc/91/41/28/982914128.db2.gz AJVJPACFNPFWSP-IUCAKERBSA-N -2 0 352.409 0.599 20 0 FCADRL CCCn1cc(C(=O)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)nn1 ZINC001596111962 983440548 /nfs/dbraw/zinc/44/05/48/983440548.db2.gz KMSIIBCRCCXMIL-UHFFFAOYSA-N -2 0 374.325 0.783 20 0 FCADRL CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n1 ZINC001596637732 984628070 /nfs/dbraw/zinc/62/80/70/984628070.db2.gz JBNQEYAEOYPNPF-UHFFFAOYSA-N -2 0 360.373 0.402 20 0 FCADRL CCOC(=O)c1cc(S(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)cn1C ZINC001596715160 984944381 /nfs/dbraw/zinc/94/43/81/984944381.db2.gz RGXYBHSDNZNJIR-UHFFFAOYSA-N -2 0 354.344 0.491 20 0 FCADRL CC(=O)C[C@H](NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1)C(=O)[O-] ZINC001589030529 985062455 /nfs/dbraw/zinc/06/24/55/985062455.db2.gz VHJPYJMLRCNYLU-LBPRGKRZSA-N -2 0 355.368 0.513 20 0 FCADRL CC(=O)CCc1ccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cc1 ZINC001589034618 985072730 /nfs/dbraw/zinc/07/27/30/985072730.db2.gz FHVLOWPCFWLQCM-LBPRGKRZSA-N -2 0 371.411 0.896 20 0 FCADRL CC(=O)N1C[C@@H]2CCC[C@@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])no3)[C@@H]2C1 ZINC001589058638 985177671 /nfs/dbraw/zinc/17/76/71/985177671.db2.gz YHJRGWAMDUNQGI-HBNTYKKESA-N -2 0 357.388 0.298 20 0 FCADRL CC(=O)N1Cc2ccc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)cc2C1 ZINC001589097858 985297034 /nfs/dbraw/zinc/29/70/34/985297034.db2.gz ONCFTNYSEFAFTD-UHFFFAOYSA-N -2 0 364.383 0.631 20 0 FCADRL CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])C1CCCC1 ZINC001589100588 985314692 /nfs/dbraw/zinc/31/46/92/985314692.db2.gz RWFGKZCWHAGIRR-NSHDSACASA-N -2 0 374.440 0.946 20 0 FCADRL CC(=O)N[C@H](CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC001589110815 985345559 /nfs/dbraw/zinc/34/55/59/985345559.db2.gz DXTDOQRKPQZNTD-UHIISALHSA-N -2 0 370.427 0.809 20 0 FCADRL CC(=O)NCCN(CC(=O)Nc1cc(C(=O)[O-])ccc1C)[C@@H](C)C(=O)[O-] ZINC001589139765 985446838 /nfs/dbraw/zinc/44/68/38/985446838.db2.gz FXILXMDQUMYOQG-NSHDSACASA-N -2 0 365.386 0.543 20 0 FCADRL CC(=O)NCCN(CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)[C@H](C)C(=O)[O-] ZINC001589140017 985449517 /nfs/dbraw/zinc/44/95/17/985449517.db2.gz SLUZSRRBRMICLR-SNVBAGLBSA-N -2 0 353.375 0.424 20 0 FCADRL CC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])s1 ZINC001589145837 985461997 /nfs/dbraw/zinc/46/19/97/985461997.db2.gz JFCIVEZKQQMPQF-YUMQZZPRSA-N -2 0 362.429 0.553 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001599941669 985462327 /nfs/dbraw/zinc/46/23/27/985462327.db2.gz WSEUGPXNQAHCBI-SKDRFNHKSA-N -2 0 373.369 0.191 20 0 FCADRL CC(=O)Nc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])ccc1F ZINC001589170179 985522195 /nfs/dbraw/zinc/52/21/95/985522195.db2.gz FDWLZLBHYCGPDR-HTQZYQBOSA-N -2 0 360.363 0.953 20 0 FCADRL CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC001596875738 985721541 /nfs/dbraw/zinc/72/15/41/985721541.db2.gz LKPCXTLRTIMSBX-GFCCVEGCSA-N -2 0 374.415 0.204 20 0 FCADRL CCOCCN(C[C@H](C)C(=O)[O-])S(=O)(=O)c1scnc1C(=O)[O-] ZINC001596924194 985999518 /nfs/dbraw/zinc/99/95/18/985999518.db2.gz OMIVDKGUPGBJJD-QMMMGPOBSA-N -2 0 366.417 0.589 20 0 FCADRL CCOCCn1cc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cn1 ZINC001596944944 986077905 /nfs/dbraw/zinc/07/79/05/986077905.db2.gz AMLSBPWIUNYZGE-UHFFFAOYSA-N -2 0 371.371 0.638 20 0 FCADRL CCOC[C@H](NS(=O)(=O)c1cc(COC)cc(C(=O)[O-])c1)C(=O)[O-] ZINC001596946256 986092271 /nfs/dbraw/zinc/09/22/71/986092271.db2.gz DPGOZZQACZLZLC-LBPRGKRZSA-N -2 0 361.372 0.299 20 0 FCADRL CCOC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)C(=O)[O-] ZINC001596946449 986097403 /nfs/dbraw/zinc/09/74/03/986097403.db2.gz PTYZXNPTWZHONC-JTQLQIEISA-N -2 0 351.764 0.806 20 0 FCADRL CCO[N-]C(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001596968996 986188481 /nfs/dbraw/zinc/18/84/81/986188481.db2.gz SZYQYTXPNUTADR-UHFFFAOYSA-N -2 0 370.305 0.750 20 0 FCADRL C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001589350106 986307227 /nfs/dbraw/zinc/30/72/27/986307227.db2.gz OBOVJOFRLSUNIM-JQWIXIFHSA-N -2 0 351.407 0.401 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2csnc2C(=O)[O-])[C@H](C(=O)[O-])[C@H](C)O1 ZINC001594561962 986326081 /nfs/dbraw/zinc/32/60/81/986326081.db2.gz OHJKTUSLPNQZCH-JHEQGTHGSA-N -2 0 350.374 0.092 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)C1CN(C(=O)C2CCCCC2)C1 ZINC001589451609 986846186 /nfs/dbraw/zinc/84/61/86/986846186.db2.gz JHSPSHJKOJFJOT-GHMZBOCLSA-N -2 0 374.459 0.580 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CCS(=O)(=O)C1CCCC1 ZINC001589452966 986855198 /nfs/dbraw/zinc/85/51/98/986855198.db2.gz OCSIMDURZDWDPW-VHSXEESVSA-N -2 0 369.461 0.289 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc2c1O[C@@H](C)C(=O)N2 ZINC001594651252 986875483 /nfs/dbraw/zinc/87/54/83/986875483.db2.gz QIMBCPXIQZUULW-CIUDSAMLSA-N -2 0 370.383 0.575 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C(=O)NC2CC2)c1 ZINC001589454338 986876918 /nfs/dbraw/zinc/87/69/18/986876918.db2.gz NSEHQDIIGCQPOJ-UWVGGRQHSA-N -2 0 368.411 0.748 20 0 FCADRL C[C@H]1Oc2ccccc2N(CCC(=O)[N-]S(=O)(=O)CCC(=O)[O-])C1=O ZINC001594653957 986881978 /nfs/dbraw/zinc/88/19/78/986881978.db2.gz ASMAKXAJAOCGCV-SNVBAGLBSA-N -2 0 370.383 0.111 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)nc1 ZINC001589454635 986883043 /nfs/dbraw/zinc/88/30/43/986883043.db2.gz XAMVKPQUEWNSBG-ZJUUUORDSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1COC[C@@H]1c1ccccc1 ZINC001589454685 986883110 /nfs/dbraw/zinc/88/31/10/986883110.db2.gz XFFYEZCKSFKLIX-CDGCEXEKSA-N -2 0 355.412 0.972 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc2c1CC(=O)CC2 ZINC001589454827 986885265 /nfs/dbraw/zinc/88/52/65/986885265.db2.gz RRGLSIRLASYSIV-VHSXEESVSA-N -2 0 353.396 0.913 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)OC(C)(C)C ZINC001589455135 986891582 /nfs/dbraw/zinc/89/15/82/986891582.db2.gz ZZQAFOZWFZXYRZ-IUCAKERBSA-N -2 0 352.409 0.456 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccnc(-n2ccnc2)c1 ZINC001589455335 986895380 /nfs/dbraw/zinc/89/53/80/986895380.db2.gz YHXCDAKQIPERGP-VHSXEESVSA-N -2 0 352.372 0.436 20 0 FCADRL CCOc1cn(-c2ccccc2)nc1C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001597186015 987054240 /nfs/dbraw/zinc/05/42/40/987054240.db2.gz LLIJQOQJMDUIGS-UHFFFAOYSA-N -2 0 353.356 0.415 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC001589492016 987061472 /nfs/dbraw/zinc/06/14/72/987061472.db2.gz PTCACQUHJKDXBD-SSDOTTSWSA-N -2 0 363.775 0.573 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CSCN1C(=O)CC(C)(C)C ZINC001589493642 987068950 /nfs/dbraw/zinc/06/89/50/987068950.db2.gz FAIFJAOFMJZNJD-DTWKUNHWSA-N -2 0 366.461 0.243 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCC(=O)N1CCOc2ccccc21 ZINC001589495599 987074085 /nfs/dbraw/zinc/07/40/85/987074085.db2.gz PLPAZQIALGNCPQ-SNVBAGLBSA-N -2 0 370.383 0.111 20 0 FCADRL CCOc1nc(C)ccc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001597193618 987079277 /nfs/dbraw/zinc/07/92/77/987079277.db2.gz JAHSLVRGBFHUBB-UHFFFAOYSA-N -2 0 371.415 0.560 20 0 FCADRL CCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001594701680 987144022 /nfs/dbraw/zinc/14/40/22/987144022.db2.gz QRVPTCKWPXIOIP-VIFPVBQESA-N -2 0 358.372 0.431 20 0 FCADRL CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2c(C(=O)[O-])cnn2C)cc1 ZINC001597240118 987211239 /nfs/dbraw/zinc/21/12/39/987211239.db2.gz WTTWXRPHQNIGEI-UHFFFAOYSA-N -2 0 373.412 0.713 20 0 FCADRL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC001589602619 987435968 /nfs/dbraw/zinc/43/59/68/987435968.db2.gz HBPKFLCHGFLGBC-NSHDSACASA-N -2 0 354.403 0.707 20 0 FCADRL CC(C)(C(=O)[O-])C1(O)CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001589604068 987443620 /nfs/dbraw/zinc/44/36/20/987443620.db2.gz VJBRAZONFNJODE-UHFFFAOYSA-N -2 0 361.372 0.604 20 0 FCADRL CCc1c(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)cnn1C ZINC001597410886 987696807 /nfs/dbraw/zinc/69/68/07/987696807.db2.gz OOCGCSQQQNWWCX-UHFFFAOYSA-N -2 0 351.384 0.941 20 0 FCADRL CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001589689778 987745128 /nfs/dbraw/zinc/74/51/28/987745128.db2.gz RSRJWHWKRZJVLU-SNVBAGLBSA-N -2 0 362.448 0.580 20 0 FCADRL CC(C)(C)C[C@@H](O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)[O-] ZINC001589757369 988074184 /nfs/dbraw/zinc/07/41/84/988074184.db2.gz VUTSBLXUKZARRM-PSASIEDQSA-N -2 0 365.429 0.975 20 0 FCADRL CC(C)(C)OC(=O)[C@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CCOC1 ZINC001589857397 988413592 /nfs/dbraw/zinc/41/35/92/988413592.db2.gz OPEPJUJPGBCHAR-ZDUSSCGKSA-N -2 0 362.360 0.152 20 0 FCADRL CCc1ncc(CN(CC(=O)[O-])S(=O)(=O)N(C)CCC(=O)[O-])s1 ZINC001597697121 988904385 /nfs/dbraw/zinc/90/43/85/988904385.db2.gz JFLINXOTBVYDEJ-UHFFFAOYSA-N -2 0 365.433 0.243 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2c(C(=O)[O-])c[nH]c2C(=O)OC)nc1C ZINC001597898040 989764927 /nfs/dbraw/zinc/76/49/27/989764927.db2.gz BDVBVKVCCVRNKM-UHFFFAOYSA-N -2 0 356.360 0.825 20 0 FCADRL CC(C)(CCNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21)C(=O)[O-] ZINC001590671069 990379344 /nfs/dbraw/zinc/37/93/44/990379344.db2.gz LZIKZFSWECRRHB-GFCCVEGCSA-N -2 0 364.354 0.482 20 0 FCADRL CC(C)(C)OC(=O)NC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001590766509 990571654 /nfs/dbraw/zinc/57/16/54/990571654.db2.gz WORJWKPLTRWCNH-UHFFFAOYSA-N -2 0 363.392 0.954 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC001590797737 990616231 /nfs/dbraw/zinc/61/62/31/990616231.db2.gz BPUXMTBHSKAWRY-UHFFFAOYSA-N -2 0 374.390 0.502 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(F)(F)F)C(=O)[O-] ZINC001590798250 990619948 /nfs/dbraw/zinc/61/99/48/990619948.db2.gz OPUXTYIHRPZSQW-SSDOTTSWSA-N -2 0 374.337 0.097 20 0 FCADRL CC(C)(CS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)Cc1ccccc1)C(=O)[O-] ZINC001590798856 990625657 /nfs/dbraw/zinc/62/56/57/990625657.db2.gz GEUVLSZJBHZHOY-VXGBXAGGSA-N -2 0 359.400 0.073 20 0 FCADRL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001598156200 990642598 /nfs/dbraw/zinc/64/25/98/990642598.db2.gz HLLMPPFCEYAXBU-UHFFFAOYSA-N -2 0 367.339 0.193 20 0 FCADRL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nn2)c1 ZINC001598163009 990666404 /nfs/dbraw/zinc/66/64/04/990666404.db2.gz OVLCLXKKUXWOTR-UHFFFAOYSA-N -2 0 350.356 0.677 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@H](Cc1ccncc1)C(=O)[O-] ZINC001590840511 990707385 /nfs/dbraw/zinc/70/73/85/990707385.db2.gz OYRKEZGWLFNZRJ-JTQLQIEISA-N -2 0 361.320 0.898 20 0 FCADRL CC(C)C(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001590933667 990950875 /nfs/dbraw/zinc/95/08/75/990950875.db2.gz QINZHKCJHOVBIT-JTQLQIEISA-N -2 0 358.372 0.430 20 0 FCADRL CC(C)[C@H](CNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21)C(=O)[O-] ZINC001590981985 991144415 /nfs/dbraw/zinc/14/44/15/991144415.db2.gz AEZVTMRAAONNHH-GXFFZTMASA-N -2 0 364.354 0.338 20 0 FCADRL CN(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c(C(N)=O)c1 ZINC001598325334 991341947 /nfs/dbraw/zinc/34/19/47/991341947.db2.gz LJUHSHZEVBMPID-UHFFFAOYSA-N -2 0 353.356 0.944 20 0 FCADRL CN(C)c1nc2cc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])ccc2o1 ZINC001598354014 991463706 /nfs/dbraw/zinc/46/37/06/991463706.db2.gz CFWSZXJUEZQRIS-UHFFFAOYSA-N -2 0 350.331 0.745 20 0 FCADRL COc1cccnc1CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001599719890 991519179 /nfs/dbraw/zinc/51/91/79/991519179.db2.gz TTXBQCQVWBQAEV-UHFFFAOYSA-N -2 0 356.381 0.898 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC001598481007 992150944 /nfs/dbraw/zinc/15/09/44/992150944.db2.gz RLSFQJMHKMBMDP-GFCCVEGCSA-N -2 0 366.342 0.674 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N1C[C@@H](c2ccccc2)[C@@](F)(C(=O)[O-])C1 ZINC001598481526 992159183 /nfs/dbraw/zinc/15/91/83/992159183.db2.gz ZEJMGXBGJRLPDR-SWLSCSKDSA-N -2 0 374.390 0.530 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)N2[C@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)cc1=O ZINC001591498042 992636856 /nfs/dbraw/zinc/63/68/56/992636856.db2.gz QQSGYKUCJPQGOI-UNQGMJICSA-N -2 0 365.430 0.997 20 0 FCADRL C[C@H](NC(=O)NCCC(=O)NCCC(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593089625 993707849 /nfs/dbraw/zinc/70/78/49/993707849.db2.gz XBCHBULKSIMXBC-GARJFASQSA-N -2 0 357.407 0.402 20 0 FCADRL C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001593131515 993882193 /nfs/dbraw/zinc/88/21/93/993882193.db2.gz PSDJONKPTBXVNE-RKDXNWHRSA-N -2 0 352.409 0.456 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c(CC(=O)[O-])c1 ZINC001599609565 993933806 /nfs/dbraw/zinc/93/38/06/993933806.db2.gz JIQUWJIXEKLLFK-CABZTGNLSA-N -2 0 357.384 0.806 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H]2C(=O)[O-])c(OC)c1C(=O)[O-] ZINC001599610036 993939816 /nfs/dbraw/zinc/93/98/16/993939816.db2.gz DZXLRDBBMLJFFO-PRHODGIISA-N -2 0 373.383 0.886 20 0 FCADRL COc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@]2(C(=O)[O-])[C@@H]3C)c(CC(=O)[O-])c1 ZINC001599610698 993948196 /nfs/dbraw/zinc/94/81/96/993948196.db2.gz JQFXGOVRWAFGCN-RBIVETJNSA-N -2 0 369.395 0.806 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)CCOCC2CC2)c(CC(=O)[O-])c1 ZINC001599612202 993969663 /nfs/dbraw/zinc/96/96/63/993969663.db2.gz WVHMKOABPVAKOX-UHFFFAOYSA-N -2 0 371.411 0.944 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-])c(OC)c1C(=O)[O-] ZINC001599612916 993978556 /nfs/dbraw/zinc/97/85/56/993978556.db2.gz LTJDKPDBUVYXPC-YUMQZZPRSA-N -2 0 361.372 0.790 20 0 FCADRL COc1ccc(S(=O)(=O)NCC2(CC(=O)[O-])CC2)c(CC(=O)[O-])c1 ZINC001599617425 994034217 /nfs/dbraw/zinc/03/42/17/994034217.db2.gz VNVAZJUUTDZGMG-UHFFFAOYSA-N -2 0 357.384 0.856 20 0 FCADRL CN1CCn2nc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)cc2C1 ZINC001598627984 994129300 /nfs/dbraw/zinc/12/93/00/994129300.db2.gz JGOJHMVBYXMCGS-UHFFFAOYSA-N -2 0 354.363 0.967 20 0 FCADRL CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)[O-])CCC1 ZINC001598631352 994178566 /nfs/dbraw/zinc/17/85/66/994178566.db2.gz BRRMXNNHGZNEDX-UHFFFAOYSA-N -2 0 374.802 0.759 20 0 FCADRL COc1cccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1OC ZINC001599642410 994378012 /nfs/dbraw/zinc/37/80/12/994378012.db2.gz KZUODOMKFIUAEQ-UHFFFAOYSA-N -2 0 372.399 0.475 20 0 FCADRL C[C@](O)(CNC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F)C(=O)[O-] ZINC001593411713 995191311 /nfs/dbraw/zinc/19/13/11/995191311.db2.gz MSSQUTXGOMGTIC-NSHDSACASA-N -2 0 370.305 0.514 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-])c1ccn(C)n1 ZINC001598711243 995351392 /nfs/dbraw/zinc/35/13/92/995351392.db2.gz FJMSGURGICCQDK-LBPRGKRZSA-N -2 0 371.346 0.450 20 0 FCADRL C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001593602893 995766517 /nfs/dbraw/zinc/76/65/17/995766517.db2.gz MQQMTTGMXREDNB-KHQFGBGNSA-N -2 0 370.383 0.546 20 0 FCADRL C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001593602896 995766521 /nfs/dbraw/zinc/76/65/21/995766521.db2.gz MQQMTTGMXREDNB-WEDXCCLWSA-N -2 0 370.383 0.546 20 0 FCADRL C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001593608624 995797681 /nfs/dbraw/zinc/79/76/81/995797681.db2.gz MMIRXRBAHXUKHP-FZMZJTMJSA-N -2 0 371.411 0.915 20 0 FCADRL COC(=O)C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C)C(=O)[O-] ZINC001598840664 996522541 /nfs/dbraw/zinc/52/25/41/996522541.db2.gz UYABLONMSNWJHG-SECBINFHSA-N -2 0 363.319 0.127 20 0 FCADRL COC(=O)Cn1ncc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)c1C ZINC001598876758 996767781 /nfs/dbraw/zinc/76/77/81/996767781.db2.gz VYNCGKAKRIWJKP-UHFFFAOYSA-N -2 0 368.371 0.567 20 0 FCADRL COC[C@H](NC(=O)c1cnc(I)c([O-])c1)C(=O)[O-] ZINC001599175828 996841298 /nfs/dbraw/zinc/84/12/98/996841298.db2.gz NBDKCJARHOUFNX-LURJTMIESA-N -2 0 366.111 0.221 20 0 FCADRL COC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C)C(=O)[O-] ZINC001599177387 996875461 /nfs/dbraw/zinc/87/54/61/996875461.db2.gz LBJLZAZPFXGWOD-VIFPVBQESA-N -2 0 351.764 0.725 20 0 FCADRL COC1(C(=O)[O-])CCN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])CC1 ZINC001599079077 996952719 /nfs/dbraw/zinc/95/27/19/996952719.db2.gz ODDBKPBIVNWOGM-UHFFFAOYSA-N -2 0 361.347 0.778 20 0 FCADRL CC1(C)CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)[C@H](C(=O)[O-])CO1 ZINC001593946531 996996917 /nfs/dbraw/zinc/99/69/17/996996917.db2.gz LOIDWLVCKAHPHX-JTQLQIEISA-N -2 0 361.347 0.777 20 0 FCADRL COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)C1 ZINC001599195443 997206969 /nfs/dbraw/zinc/20/69/69/997206969.db2.gz RGCCGMKNLCWPAM-OAHLLOKOSA-N -2 0 357.384 0.426 20 0 FCADRL COc1cc(CC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)ccc1C ZINC001599402201 997234274 /nfs/dbraw/zinc/23/42/74/997234274.db2.gz XDEOBLFNKRSEQG-UHFFFAOYSA-N -2 0 370.427 0.704 20 0 FCADRL CO[N-]C(=O)CNC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(Cl)cc2)C1 ZINC001599319846 997561899 /nfs/dbraw/zinc/56/18/99/997561899.db2.gz AWIODYWXZPZJFN-NEPJUHHUSA-N -2 0 355.778 0.827 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])c1 ZINC001598924438 997629160 /nfs/dbraw/zinc/62/91/60/997629160.db2.gz YSKNXQJZHVBCDR-LLVKDONJSA-N -2 0 371.367 0.799 20 0 FCADRL COc1ccc([C@H](NS(=O)(=O)N(C)CCC(=O)[O-])C(=O)[O-])cc1F ZINC001599531384 997660731 /nfs/dbraw/zinc/66/07/31/997660731.db2.gz NMEUYKOUSSGOPE-LBPRGKRZSA-N -2 0 364.351 0.201 20 0 FCADRL COc1c(C(=O)[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)cnn1C ZINC001599327941 997697478 /nfs/dbraw/zinc/69/74/78/997697478.db2.gz FNHWAUNTIDNABM-UHFFFAOYSA-N -2 0 371.346 0.314 20 0 FCADRL COCCCOCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001599226381 997766956 /nfs/dbraw/zinc/76/69/56/997766956.db2.gz RQTADBQVZRARLY-UHFFFAOYSA-N -2 0 351.402 0.694 20 0 FCADRL COC(=O)c1cc(NC(=O)C(=O)[N-]OCCC2CC2)ccc1C(=O)[O-] ZINC001598937026 997888667 /nfs/dbraw/zinc/88/86/67/997888667.db2.gz GYVARDDJNZLCMP-UHFFFAOYSA-N -2 0 350.327 0.958 20 0 FCADRL COc1cc([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c(C(N)=O)cc1OC ZINC001599445018 997994389 /nfs/dbraw/zinc/99/43/89/997994389.db2.gz VKPIQILPSBMJMM-UHFFFAOYSA-N -2 0 360.388 0.655 20 0 FCADRL CO[C@@H]1CN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)[C@](C)(C(=O)[O-])C1 ZINC001599136291 998049701 /nfs/dbraw/zinc/04/97/01/998049701.db2.gz CRGNKVICKNDJMB-NHYWBVRUSA-N -2 0 357.384 0.566 20 0 FCADRL CO[C@H]1CN(S(=O)(=O)c2cccc(C)c2C(=O)[O-])[C@](C)(C(=O)[O-])C1 ZINC001599136596 998053834 /nfs/dbraw/zinc/05/38/34/998053834.db2.gz LSEQGLVKZDMJDM-BMIGLBTASA-N -2 0 357.384 0.946 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c2ccccc2)on1 ZINC001598953680 998201864 /nfs/dbraw/zinc/20/18/64/998201864.db2.gz QTUAZKUKWHKRDH-SNVBAGLBSA-N -2 0 354.340 0.608 20 0 FCADRL COc1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)cc(C(=O)[O-])c1OC ZINC001599460923 998271656 /nfs/dbraw/zinc/27/16/56/998271656.db2.gz ZBJBUKOQLODLMI-MRVPVSSYSA-N -2 0 359.356 0.497 20 0 FCADRL COCCOc1ccnc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)n1 ZINC001599261576 998395057 /nfs/dbraw/zinc/39/50/57/998395057.db2.gz QDAHCWBCYAEFCI-UHFFFAOYSA-N -2 0 368.371 0.704 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2cnn(CCO)c2)c1 ZINC001598966316 998428195 /nfs/dbraw/zinc/42/81/95/998428195.db2.gz VXPQSEDOBWICFJ-UHFFFAOYSA-N -2 0 369.355 0.161 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001598969280 998484573 /nfs/dbraw/zinc/48/45/73/998484573.db2.gz PZRNWWNSOPBTRR-SCZZXKLOSA-N -2 0 371.367 0.655 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC001598969404 998486525 /nfs/dbraw/zinc/48/65/25/998486525.db2.gz SRMGHVCBPVIUSD-LLVKDONJSA-N -2 0 371.367 0.799 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC001598969673 998490947 /nfs/dbraw/zinc/49/09/47/998490947.db2.gz AJKDZAQZFTTYRI-NSHDSACASA-N -2 0 371.367 0.703 20 0 FCADRL COc1ccc(-n2cc([O-])c(C(=O)N3CCC[C@@H](O)[C@@H]3C(=O)[O-])n2)cc1 ZINC001599474163 998500149 /nfs/dbraw/zinc/50/01/49/998500149.db2.gz YPTVKDMSPGPGPN-IUODEOHRSA-N -2 0 361.354 0.637 20 0 FCADRL COCCn1ncc2ccc([N-]S(=O)(=O)c3n[nH]cc3C(=O)[O-])cc21 ZINC001599273247 998572575 /nfs/dbraw/zinc/57/25/75/998572575.db2.gz KXSKMFYIXKDWFS-UHFFFAOYSA-N -2 0 365.371 0.905 20 0 FCADRL COC(=O)c1ccc(NS(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001598982925 998674686 /nfs/dbraw/zinc/67/46/86/998674686.db2.gz ORRURGPERSWWLN-WDEREUQCSA-N -2 0 370.383 0.747 20 0 FCADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C1 ZINC001594210716 998818891 /nfs/dbraw/zinc/81/88/91/998818891.db2.gz UODFCVVWMFTEKC-KOLCDFICSA-N -2 0 366.345 0.961 20 0 FCADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C1 ZINC001594210718 998819062 /nfs/dbraw/zinc/81/90/62/998819062.db2.gz UODFCVVWMFTEKC-ONGXEEELSA-N -2 0 366.345 0.961 20 0 FCADRL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CC(F)(F)C(=O)[O-] ZINC001599016010 998939220 /nfs/dbraw/zinc/93/92/20/998939220.db2.gz WKKUBSIDEMQLEG-UHFFFAOYSA-N -2 0 358.706 0.520 20 0 FCADRL COC(C)(C)c1nc(C)c(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])s1 ZINC001599034760 999075052 /nfs/dbraw/zinc/07/50/52/999075052.db2.gz HYGVUPLUQSTUGW-SSDOTTSWSA-N -2 0 350.418 0.866 20 0 FCADRL CO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001599035460 999079958 /nfs/dbraw/zinc/07/99/58/999079958.db2.gz FBIXEGCCQBUKQR-ZCFIWIBFSA-N -2 0 366.189 0.987 20 0 FCADRL COC(CN(CCC(=O)[O-])C(=O)c1cccc(-c2nc(=O)o[n-]2)c1)OC ZINC001599046994 999157495 /nfs/dbraw/zinc/15/74/95/999157495.db2.gz XMKMANREFSZNNF-UHFFFAOYSA-N -2 0 365.342 0.566 20 0 FCADRL C[C@@H]1CCN(C(=O)C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C[C@H]1C(=O)[O-] ZINC001594393703 999483578 /nfs/dbraw/zinc/48/35/78/999483578.db2.gz PVZALFUICCQRBN-IAQYHMDHSA-N -2 0 374.393 0.839 20 0 FCADRL C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC[C@@H]1C(=O)[O-] ZINC001594458108 999663810 /nfs/dbraw/zinc/66/38/10/999663810.db2.gz DVJOPLDYDXFMQY-MFKMUULPSA-N -2 0 364.354 0.658 20 0 FCADRL CO[C@@H](CS(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1)c1ccccc1 ZINC000297106709 214379879 /nfs/dbraw/zinc/37/98/79/214379879.db2.gz ZQOOASOOFDBNLS-BBRMVZONSA-N -2 0 371.411 0.955 20 0 FCADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CCC(N)=O)n1 ZINC000265603819 210176702 /nfs/dbraw/zinc/17/67/02/210176702.db2.gz VLNKEADXAUTVGX-UHFFFAOYSA-N -2 0 366.399 0.820 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)NCCC2(O)CCOCC2)c(F)cc1F ZINC000285482946 213347598 /nfs/dbraw/zinc/34/75/98/213347598.db2.gz OLQAAQYHRLDCFN-UHFFFAOYSA-N -2 0 365.354 0.873 20 0 FCADRL O=C([O-])[C@]1([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CCOC1 ZINC000367134628 216080864 /nfs/dbraw/zinc/08/08/64/216080864.db2.gz AFDHIDQQOFFUJF-NSHDSACASA-N -2 0 361.244 0.904 20 0 FCADRL O=C([O-])[C@@]1([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CCOC1 ZINC000367134627 216081068 /nfs/dbraw/zinc/08/10/68/216081068.db2.gz AFDHIDQQOFFUJF-LLVKDONJSA-N -2 0 361.244 0.904 20 0 FCADRL Cc1cc2c(cc1S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1)OCO2 ZINC000279963591 212599970 /nfs/dbraw/zinc/59/99/70/212599970.db2.gz IZDYKBPHQGPZTN-OAHLLOKOSA-N -2 0 371.367 0.664 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)C2=Cc3ccccc3OC2)C[C@H]1C(=O)[O-] ZINC000277365232 212353971 /nfs/dbraw/zinc/35/39/71/212353971.db2.gz YVYCMVBJXXAOLP-QWHCGFSZSA-N -2 0 367.379 0.857 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)c2cn3c(n2)CCCC3)C[C@H]1C(=O)[O-] ZINC000372260967 216857954 /nfs/dbraw/zinc/85/79/54/216857954.db2.gz KQBKNEHCKQUZAN-VHSXEESVSA-N -2 0 357.388 0.015 20 0 FCADRL CCCOC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000275366120 212013655 /nfs/dbraw/zinc/01/36/55/212013655.db2.gz YBVVERZCZAEWSR-NSHDSACASA-N -2 0 359.356 0.460 20 0 FCADRL CCN(CC(=O)[O-])S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000275314173 212005603 /nfs/dbraw/zinc/00/56/03/212005603.db2.gz OLWAAAUQOZZPFY-UHFFFAOYSA-N -2 0 354.381 0.292 20 0 FCADRL COCCc1ccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cc1 ZINC000275153773 211971034 /nfs/dbraw/zinc/97/10/34/211971034.db2.gz SAEGGUVJGGMRKJ-MRXNPFEDSA-N -2 0 371.411 0.816 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1cnn(Cc2ccccc2)c1)C(=O)[O-] ZINC000275043849 211952223 /nfs/dbraw/zinc/95/22/23/211952223.db2.gz HJBKSAAXZIICJX-ZDUSSCGKSA-N -2 0 367.383 0.528 20 0 FCADRL CC(=O)N1CCc2ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc21 ZINC000274955568 211936650 /nfs/dbraw/zinc/93/66/50/211936650.db2.gz INWNWWRUGNZTHV-LLVKDONJSA-N -2 0 370.383 0.049 20 0 FCADRL CCOC(=O)c1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])ccc1F ZINC000274915677 211929337 /nfs/dbraw/zinc/92/93/37/211929337.db2.gz LPTRMNAIPVGDRS-SNVBAGLBSA-N -2 0 363.319 0.209 20 0 FCADRL Cc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3ccc(Br)o3)nc2n1 ZINC000442621088 248292996 /nfs/dbraw/zinc/29/29/96/248292996.db2.gz TYXSDMBMQBEUAO-UHFFFAOYSA-N -2 0 374.176 0.882 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1C(=O)[O-] ZINC000320234500 488899799 /nfs/dbraw/zinc/89/97/99/488899799.db2.gz XQIFYWYQHPONQW-UHFFFAOYSA-N -2 0 359.385 0.172 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000316050724 488897022 /nfs/dbraw/zinc/89/70/22/488897022.db2.gz NPZJPHFAWPMWDB-UHFFFAOYSA-N -2 0 352.708 0.408 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccccc1OC(F)(F)F)C(=O)[O-] ZINC000322675245 488902745 /nfs/dbraw/zinc/90/27/45/488902745.db2.gz FOGSXDDUPJBEQM-LURJTMIESA-N -2 0 357.262 0.791 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cn1 ZINC000324444821 488905455 /nfs/dbraw/zinc/90/54/55/488905455.db2.gz FRXLSWPLLKVJLV-UHFFFAOYSA-N -2 0 352.372 0.437 20 0 FCADRL CCOc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1OCC ZINC000325529912 488910303 /nfs/dbraw/zinc/91/03/03/488910303.db2.gz RFZIXPDROGOCQE-SNVBAGLBSA-N -2 0 361.372 0.690 20 0 FCADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)cc2)c1 ZINC000324827438 488907016 /nfs/dbraw/zinc/90/70/16/488907016.db2.gz BHRCLXFGIDJSCM-UHFFFAOYSA-N -2 0 370.408 0.969 20 0 FCADRL NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1 ZINC000057819662 488276501 /nfs/dbraw/zinc/27/65/01/488276501.db2.gz JZJOZVJAHZHUAU-UHFFFAOYSA-N -2 0 374.371 0.972 20 0 FCADRL COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NCCCC(=O)[O-])c1 ZINC000261863426 488539210 /nfs/dbraw/zinc/53/92/10/488539210.db2.gz PGEXUJCMRXYDAT-UHFFFAOYSA-N -2 0 359.356 0.403 20 0 FCADRL C[C@@H]1CN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)C[C@H](C(=O)[O-])O1 ZINC000262935985 488600128 /nfs/dbraw/zinc/60/01/28/488600128.db2.gz KPTKLXXQKVBNAS-PRHODGIISA-N -2 0 360.363 0.511 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]C[C@@](C)(O)C(=O)[O-])sc1Br ZINC000263513800 488613986 /nfs/dbraw/zinc/61/39/86/488613986.db2.gz YWHOZPBCBLYPHD-MRVPVSSYSA-N -2 0 359.223 0.328 20 0 FCADRL Cn1cnc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)c1Cl ZINC000274979319 488750241 /nfs/dbraw/zinc/75/02/41/488750241.db2.gz DDDNKNCMSZIOJD-NSHDSACASA-N -2 0 351.768 0.014 20 0 FCADRL COCc1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1 ZINC000274993563 488751620 /nfs/dbraw/zinc/75/16/20/488751620.db2.gz FMITYLGFJPCELW-OLZOCXBDSA-N -2 0 357.384 0.629 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1C ZINC000275065525 488758296 /nfs/dbraw/zinc/75/82/96/488758296.db2.gz ZTTGATVVSJPUMJ-SECBINFHSA-N -2 0 359.356 0.235 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)CC[C@@H]1C(=O)[O-] ZINC000275068408 488758414 /nfs/dbraw/zinc/75/84/14/488758414.db2.gz GNNXGSGPGFPYGZ-WPRPVWTQSA-N -2 0 353.356 0.359 20 0 FCADRL CC(C)Cn1cnc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1 ZINC000275188097 488770700 /nfs/dbraw/zinc/77/07/00/488770700.db2.gz XMHTWPNLQYVWAU-QWRGUYRKSA-N -2 0 359.404 0.335 20 0 FCADRL C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161790289 488799016 /nfs/dbraw/zinc/79/90/16/488799016.db2.gz VXGDFTFFNSPOGH-SSDLBLMSSA-N -2 0 356.169 0.701 20 0 FCADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccn(CC(=O)N(C)C)n1 ZINC000268128990 488841225 /nfs/dbraw/zinc/84/12/25/488841225.db2.gz NYKDWMRHETWEQU-UHFFFAOYSA-N -2 0 366.399 0.779 20 0 FCADRL CNS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000290593462 489151081 /nfs/dbraw/zinc/15/10/81/489151081.db2.gz XWWFSGPHLYCXAY-JTQLQIEISA-N -2 0 364.445 0.611 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)CCc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000570805938 491265583 /nfs/dbraw/zinc/26/55/83/491265583.db2.gz SHQBWYGNFBZFOI-GFCCVEGCSA-N -2 0 357.384 0.259 20 0 FCADRL C[C@@](CNS(=O)(=O)Cc1cccc(F)c1F)(CC(=O)[O-])C(=O)[O-] ZINC000570971921 491277293 /nfs/dbraw/zinc/27/72/93/491277293.db2.gz PMQHDBBYOCJCHC-ZDUSSCGKSA-N -2 0 351.327 0.950 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cn1 ZINC000475792758 489848811 /nfs/dbraw/zinc/84/88/11/489848811.db2.gz WHRYOLJWCTTZAN-UHFFFAOYSA-N -2 0 370.408 0.913 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)OC)c2C)cc1C(=O)[O-] ZINC000475835998 489853069 /nfs/dbraw/zinc/85/30/69/489853069.db2.gz NKHZXZQRCUVECD-UHFFFAOYSA-N -2 0 370.387 0.685 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)cc1 ZINC000477532976 489971691 /nfs/dbraw/zinc/97/16/91/489971691.db2.gz FBFPQIODMHUOMY-UHFFFAOYSA-N -2 0 361.339 0.867 20 0 FCADRL CCOC(=O)c1cc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cn1C ZINC000546179885 490203757 /nfs/dbraw/zinc/20/37/57/490203757.db2.gz SWYSNGLPZGUITD-UHFFFAOYSA-N -2 0 356.360 0.434 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cc(F)ccc1Br ZINC000547557883 490317998 /nfs/dbraw/zinc/31/79/98/490317998.db2.gz UDGLXWWYQMJFEQ-UHFFFAOYSA-N -2 0 370.152 0.748 20 0 FCADRL O=C([O-])CN(C1CCCC1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000547567037 490319805 /nfs/dbraw/zinc/31/98/05/490319805.db2.gz CYNRTBQUYFHNMP-UHFFFAOYSA-N -2 0 368.371 0.454 20 0 FCADRL CCC(=O)Nc1ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC000547609959 490330079 /nfs/dbraw/zinc/33/00/79/490330079.db2.gz SPNBNIIDIIARNR-HNNXBMFYSA-N -2 0 372.399 0.879 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1N(C)C ZINC000547924655 490388398 /nfs/dbraw/zinc/38/83/98/490388398.db2.gz GVRIGSNUGPPZRL-CHWSQXEVSA-N -2 0 370.427 0.857 20 0 FCADRL Cc1[nH]nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1C(N)=O ZINC000499335113 490413601 /nfs/dbraw/zinc/41/36/01/490413601.db2.gz VPIDPQNXGYXJDH-UHFFFAOYSA-N -2 0 352.372 0.933 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000548202847 490437443 /nfs/dbraw/zinc/43/74/43/490437443.db2.gz BBMYMFHILHACGK-UHFFFAOYSA-N -2 0 356.381 0.970 20 0 FCADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CC(N)=O)n1 ZINC000509586608 490440472 /nfs/dbraw/zinc/44/04/72/490440472.db2.gz PTIFWNLXJUWLLD-UHFFFAOYSA-N -2 0 356.335 0.315 20 0 FCADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cn(C)cn2)c(OC)c1OC ZINC000509662007 490449782 /nfs/dbraw/zinc/44/97/82/490449782.db2.gz XKPDVGQLICJATP-UHFFFAOYSA-N -2 0 371.371 0.945 20 0 FCADRL COC(=O)c1ccc(CS(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC000548267462 490453933 /nfs/dbraw/zinc/45/39/33/490453933.db2.gz IQEQHOCGJDDWIJ-HNNXBMFYSA-N -2 0 373.383 0.458 20 0 FCADRL Cc1cc(CS(=O)(=O)[N-]c2ccc(C(=O)NCC(=O)[O-])cc2)on1 ZINC000548526410 490495394 /nfs/dbraw/zinc/49/53/94/490495394.db2.gz AGCWVXKIQMTLBX-UHFFFAOYSA-N -2 0 353.356 0.739 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1Cl ZINC000548530654 490496567 /nfs/dbraw/zinc/49/65/67/490496567.db2.gz STFGQTPOEIDXJZ-UHFFFAOYSA-N -2 0 364.763 0.458 20 0 FCADRL Cn1cc(C[C@@H]([N-]S(=O)(=O)c2c(F)cc(F)cc2F)C(=O)[O-])cn1 ZINC000548545465 490502629 /nfs/dbraw/zinc/50/26/29/490502629.db2.gz WNEQOJMOFUBQLZ-LLVKDONJSA-N -2 0 363.317 0.812 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1C ZINC000504275672 490793723 /nfs/dbraw/zinc/79/37/23/490793723.db2.gz XTAMLKVBKUFDLE-UHFFFAOYSA-N -2 0 368.371 0.142 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cccc(Br)c1F ZINC000541909694 490878024 /nfs/dbraw/zinc/87/80/24/490878024.db2.gz JDHZFKLMHGUIAP-UHFFFAOYSA-N -2 0 370.152 0.748 20 0 FCADRL C[C@@H](C(=O)[O-])N(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C1CC1 ZINC000519652818 490982674 /nfs/dbraw/zinc/98/26/74/490982674.db2.gz NCCJYHDZPOOSNI-QMMMGPOBSA-N -2 0 362.354 0.707 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3c(=O)[nH][nH]c3=O)cc2)c[nH]1 ZINC000562443344 491166079 /nfs/dbraw/zinc/16/60/79/491166079.db2.gz UTSHGTNURICKQZ-UHFFFAOYSA-N -2 0 365.327 0.506 20 0 FCADRL CO[C@H](CS(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c1ccccc1 ZINC000562643036 491178165 /nfs/dbraw/zinc/17/81/65/491178165.db2.gz DAUSPHFKHNBEGJ-IUODEOHRSA-N -2 0 359.400 0.859 20 0 FCADRL CCc1noc2ncc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc12 ZINC000565811809 491400587 /nfs/dbraw/zinc/40/05/87/491400587.db2.gz WSBPAWOMGVUVNV-LLVKDONJSA-N -2 0 371.371 0.772 20 0 FCADRL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])c(F)c1Cl ZINC000566491400 491448046 /nfs/dbraw/zinc/44/80/46/491448046.db2.gz UPRJEPJQWKEDMY-SSDOTTSWSA-N -2 0 372.733 0.300 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)Cc1cccc(Br)c1)C(=O)[O-] ZINC000575806438 491562326 /nfs/dbraw/zinc/56/23/26/491562326.db2.gz STNIAWBPDANLCE-SECBINFHSA-N -2 0 366.189 0.796 20 0 FCADRL C[C@@H]1CCN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)C[C@H]1C(=O)[O-] ZINC000569457014 491663117 /nfs/dbraw/zinc/66/31/17/491663117.db2.gz QERGUTWJNLGQBM-ZEWFUEFWSA-N -2 0 359.382 0.924 20 0 FCADRL CC[C@@H](C)N(CC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000578867959 491685965 /nfs/dbraw/zinc/68/59/65/491685965.db2.gz JHEBWMINYIAROA-SECBINFHSA-N -2 0 364.370 0.955 20 0 FCADRL CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cn1 ZINC000579781558 491705172 /nfs/dbraw/zinc/70/51/72/491705172.db2.gz QTGGOTCZDDNFAP-UHFFFAOYSA-N -2 0 366.399 0.399 20 0 FCADRL Cn1c(=O)n(C)c2cc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c(O)cc21 ZINC000580825722 491747519 /nfs/dbraw/zinc/74/75/19/491747519.db2.gz FLBDIAUDJMXIMI-UHFFFAOYSA-N -2 0 366.355 0.410 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c(F)c1 ZINC000589061801 491754644 /nfs/dbraw/zinc/75/46/44/491754644.db2.gz AMYIJRVQIRUZAJ-SECBINFHSA-N -2 0 363.319 0.209 20 0 FCADRL Cc1ncsc1CCS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000582006408 491793859 /nfs/dbraw/zinc/79/38/59/491793859.db2.gz JKJCWWPRSHXJGL-NXEZZACHSA-N -2 0 362.429 0.431 20 0 FCADRL Cn1nccc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC000583118998 491838396 /nfs/dbraw/zinc/83/83/96/491838396.db2.gz SEJZYEKUJTUTET-UHFFFAOYSA-N -2 0 366.399 0.756 20 0 FCADRL C[C@@](CNS(=O)(=O)c1ccc2c(c1)C(=O)CCO2)(CC(=O)[O-])C(=O)[O-] ZINC000583128274 491838511 /nfs/dbraw/zinc/83/85/11/491838511.db2.gz XKQXKHFHPYVBGI-HNNXBMFYSA-N -2 0 371.367 0.496 20 0 FCADRL C[C@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@H]1C(=O)[O-] ZINC000583935077 491855071 /nfs/dbraw/zinc/85/50/71/491855071.db2.gz NOGICAYISIFHKP-OIBJUYFYSA-N -2 0 368.371 0.167 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1C ZINC000614327657 492024562 /nfs/dbraw/zinc/02/45/62/492024562.db2.gz TZEAJGJTPBKEHH-LLVKDONJSA-N -2 0 359.356 0.378 20 0 FCADRL CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000609090663 492197293 /nfs/dbraw/zinc/19/72/93/492197293.db2.gz CEQCEYZVAIVOJC-UHFFFAOYSA-N -2 0 355.328 0.791 20 0 FCADRL Cc1[nH]nc(C(=O)N2CCN(C(=O)c3n[nH]c(C)c3[O-])[C@@H](C)[C@@H]2C)c1[O-] ZINC000620746593 492332514 /nfs/dbraw/zinc/33/25/14/492332514.db2.gz CWOUAANKSKFJBR-UWVGGRQHSA-N -2 0 362.390 0.536 20 0 FCADRL CCC[C@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000647729596 492351540 /nfs/dbraw/zinc/35/15/40/492351540.db2.gz DEJCKJXSNALCMM-JTQLQIEISA-N -2 0 350.343 0.613 20 0 FCADRL Cc1cc(=NC(=O)[C@H]2CC[C@@H](C(=O)N=c3cc(C)c(C)n[n-]3)O2)[n-]nc1C ZINC000622803779 492488815 /nfs/dbraw/zinc/48/88/15/492488815.db2.gz UJCNLWIUORCYGQ-OKILXGFUSA-N -2 0 370.413 0.469 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)CC3)C[C@H]1C(=O)[O-] ZINC000656158971 492558400 /nfs/dbraw/zinc/55/84/00/492558400.db2.gz QUQVPRCUGWTYGJ-DGCLKSJQSA-N -2 0 367.379 0.612 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)CC3)CC[C@@H]1C(=O)[O-] ZINC000656158970 492558636 /nfs/dbraw/zinc/55/86/36/492558636.db2.gz QUQVPRCUGWTYGJ-AAEUAGOBSA-N -2 0 367.379 0.612 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)CCc1c(F)cccc1F)C(=O)[O-] ZINC000629291432 492602287 /nfs/dbraw/zinc/60/22/87/492602287.db2.gz GLPKAFHPJFQGNE-NSHDSACASA-N -2 0 351.327 0.745 20 0 FCADRL O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)[C@]3(C(=O)[O-])CC=CCC3)CC2)C1 ZINC000653309732 493091273 /nfs/dbraw/zinc/09/12/73/493091273.db2.gz KLAXXIAXBJGPQB-XIKOKIGWSA-N -2 0 364.398 0.722 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N(CC(=O)[O-])CC1CC1 ZINC000653326211 493095268 /nfs/dbraw/zinc/09/52/68/493095268.db2.gz XUDQACIPDOIPBS-UHFFFAOYSA-N -2 0 357.370 0.813 20 0 FCADRL COc1cc(F)c(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c(F)c1 ZINC000681578770 493189111 /nfs/dbraw/zinc/18/91/11/493189111.db2.gz TWAUNMYDSASVKA-ZCFIWIBFSA-N -2 0 353.299 0.427 20 0 FCADRL CCc1nn(C)c(CC)c1S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000681578912 493189208 /nfs/dbraw/zinc/18/92/08/493189208.db2.gz HZUNYQLWGBDRAL-AWEZNQCLSA-N -2 0 361.420 0.389 20 0 FCADRL O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000666570729 493204171 /nfs/dbraw/zinc/20/41/71/493204171.db2.gz NEJPJUONTOPFNA-ZIAGYGMSSA-N -2 0 350.371 0.958 20 0 FCADRL O=C([O-])Cc1ccc(C[C@@H](NS(=O)(=O)C[C@H]2CCCO2)C(=O)[O-])cc1 ZINC000684561540 493419183 /nfs/dbraw/zinc/41/91/83/493419183.db2.gz GGAMNRNGHMUXFA-ZIAGYGMSSA-N -2 0 371.411 0.408 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1Cl ZINC000314746300 546510491 /nfs/dbraw/zinc/51/04/91/546510491.db2.gz PESJPQLFWVOURP-SECBINFHSA-N -2 0 351.764 0.945 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1)C(=O)[O-] ZINC000551031205 547121431 /nfs/dbraw/zinc/12/14/31/547121431.db2.gz NBEICBIDOMUAJU-LBPRGKRZSA-N -2 0 370.383 0.175 20 0 FCADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nn1C ZINC000548478006 547375768 /nfs/dbraw/zinc/37/57/68/547375768.db2.gz FTLHXABXPJGEFA-UHFFFAOYSA-N -3 0 355.328 0.626 20 0 FCADRL NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cc1 ZINC000819130573 597315139 /nfs/dbraw/zinc/31/51/39/597315139.db2.gz HOCNRNQQPWIXJN-UHFFFAOYSA-N -2 0 370.408 0.762 20 0 FCADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000819626287 597316293 /nfs/dbraw/zinc/31/62/93/597316293.db2.gz OSAXPPRZTZWFDT-UHFFFAOYSA-N -2 0 360.347 0.998 20 0 FCADRL Cc1ccnc(-n2cc(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])cn2)c1 ZINC000821131333 597363115 /nfs/dbraw/zinc/36/31/15/597363115.db2.gz YDKBJXLKVWAWFB-UHFFFAOYSA-N -2 0 370.412 0.198 20 0 FCADRL CC(=O)NCCN(C(=O)CSc1n[n-]c(=S)s1)[C@H](C)C(=O)[O-] ZINC000819745773 597690361 /nfs/dbraw/zinc/69/03/61/597690361.db2.gz HOFGSJLWXOMPGF-ZCFIWIBFSA-N -2 0 364.474 0.357 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(N3C(=O)CNC3=O)c2)o1 ZINC000740187808 599738271 /nfs/dbraw/zinc/73/82/71/599738271.db2.gz WUOIVXZSVOUVMS-UHFFFAOYSA-N -2 0 365.323 0.835 20 0 FCADRL CC(C)[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000736376167 599883549 /nfs/dbraw/zinc/88/35/49/599883549.db2.gz RPYSUCVIEMVHBD-CYBMUJFWSA-N -2 0 372.399 0.945 20 0 FCADRL COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-])cc1 ZINC000737690612 599912762 /nfs/dbraw/zinc/91/27/62/599912762.db2.gz DBKBMYVYIAKCOW-UHFFFAOYSA-N -2 0 372.399 0.809 20 0 FCADRL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCCn2nc(C(=O)[O-])nc21 ZINC000738873690 599982975 /nfs/dbraw/zinc/98/29/75/599982975.db2.gz ZNWPTVPGUCYQTK-UHFFFAOYSA-N -2 0 371.357 0.321 20 0 FCADRL NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1 ZINC000739197660 600093754 /nfs/dbraw/zinc/09/37/54/600093754.db2.gz MHMSKLHJWHRLDA-UHFFFAOYSA-N -2 0 374.371 0.972 20 0 FCADRL O=C([O-])C[C@@H](NC(=O)c1cc(=O)[nH][n-]1)c1cccc(Br)c1 ZINC000739628422 600166729 /nfs/dbraw/zinc/16/67/29/600166729.db2.gz YRZXTDYHLJIKDG-SECBINFHSA-N -2 0 354.160 0.957 20 0 FCADRL CCNC(=O)c1cccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])c1 ZINC000737122310 600230503 /nfs/dbraw/zinc/23/05/03/600230503.db2.gz HYWWWRPECFWVDC-UHFFFAOYSA-N -2 0 352.372 0.967 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(S(C)(=O)=O)c2)c1C(=O)[O-] ZINC000738827682 600231035 /nfs/dbraw/zinc/23/10/35/600231035.db2.gz MPLOVIOUAGZHQR-UHFFFAOYSA-N -2 0 359.385 0.621 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)c1C(=O)[O-] ZINC000738828551 600234452 /nfs/dbraw/zinc/23/44/52/600234452.db2.gz FVIHYQRXQMKTKU-UHFFFAOYSA-N -2 0 366.334 0.937 20 0 FCADRL COC[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000737746835 600243498 /nfs/dbraw/zinc/24/34/98/600243498.db2.gz LECLFFMSHZYSDW-SNVBAGLBSA-N -2 0 354.384 0.820 20 0 FCADRL Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3cc(C(=O)[O-])ccc3C)nc2n1 ZINC000738314800 600247080 /nfs/dbraw/zinc/24/70/80/600247080.db2.gz OMDZEFIAHPXEKU-UHFFFAOYSA-N -2 0 363.355 0.533 20 0 FCADRL CCOC(=O)c1csc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])n1 ZINC000737155548 600422667 /nfs/dbraw/zinc/42/26/67/600422667.db2.gz YPTNIOXJWYQUFP-UHFFFAOYSA-N -2 0 360.373 0.850 20 0 FCADRL COCCN(CC(=O)[O-])C(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000737772055 600422863 /nfs/dbraw/zinc/42/28/63/600422863.db2.gz UTYQJKQHPDJBCX-UHFFFAOYSA-N -2 0 365.411 0.635 20 0 FCADRL Cc1nn(C)c2nc(C)c(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc12 ZINC000738871409 600460683 /nfs/dbraw/zinc/46/06/83/600460683.db2.gz DEKKKYLCOYEDFL-UHFFFAOYSA-N -2 0 354.388 0.510 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCc1nc(-c2ccco2)no1 ZINC000739692479 600463697 /nfs/dbraw/zinc/46/36/97/600463697.db2.gz QCJIXOAQJSDYRL-UHFFFAOYSA-N -2 0 357.344 0.573 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccccc1 ZINC000739692586 600465969 /nfs/dbraw/zinc/46/59/69/600465969.db2.gz RXZVLDKFLUCWGI-UHFFFAOYSA-N -2 0 356.400 0.046 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])cc1C(N)=O ZINC000324921607 600514190 /nfs/dbraw/zinc/51/41/90/600514190.db2.gz LLKAEXKNOSWPCE-UHFFFAOYSA-N -2 0 351.340 0.688 20 0 FCADRL Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3cnn(CC(=O)[O-])c3)ccc21 ZINC000325125264 600529125 /nfs/dbraw/zinc/52/91/25/600529125.db2.gz BOBOCXOMROUIID-UHFFFAOYSA-N -2 0 352.328 0.213 20 0 FCADRL C[C@H]1CCC[C@H](OCC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000736773575 600549521 /nfs/dbraw/zinc/54/95/21/600549521.db2.gz BVFVKYKJQKHZOB-AAEUAGOBSA-N -2 0 362.448 0.739 20 0 FCADRL COCCN(CCC(=O)[O-])C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000737799463 600632383 /nfs/dbraw/zinc/63/23/83/600632383.db2.gz RSDDUSMCWOELIN-UHFFFAOYSA-N -2 0 365.411 0.786 20 0 FCADRL CC(=O)N1CCc2cc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)ccc21 ZINC000326712757 600673251 /nfs/dbraw/zinc/67/32/51/600673251.db2.gz CPYLTNCTNRVATF-UHFFFAOYSA-N -2 0 364.383 0.678 20 0 FCADRL CNC(=O)Nc1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000831000945 600673663 /nfs/dbraw/zinc/67/36/63/600673663.db2.gz SDDAAQSYSZTFAN-UHFFFAOYSA-N -2 0 353.360 0.520 20 0 FCADRL CC(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000327150014 600676206 /nfs/dbraw/zinc/67/62/06/600676206.db2.gz UPYGQLQVTYXPAN-UHFFFAOYSA-N -2 0 366.399 0.907 20 0 FCADRL CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000829799407 600678194 /nfs/dbraw/zinc/67/81/94/600678194.db2.gz JOOXEWQHUVVQKW-UHFFFAOYSA-N -2 0 367.387 0.910 20 0 FCADRL CCOC(=O)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c(O)c1 ZINC000829881757 600682934 /nfs/dbraw/zinc/68/29/34/600682934.db2.gz YDMGEUIYIUFBMH-UHFFFAOYSA-N -2 0 369.355 0.651 20 0 FCADRL CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000829852989 600684421 /nfs/dbraw/zinc/68/44/21/600684421.db2.gz YEIMWXXDBVUXAT-UHFFFAOYSA-N -2 0 367.383 0.874 20 0 FCADRL NC(=O)c1c(Cl)cccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833084161 600687337 /nfs/dbraw/zinc/68/73/37/600687337.db2.gz AYNHTRKMGNPPNH-UHFFFAOYSA-N -2 0 358.763 0.521 20 0 FCADRL CC(C)CCn1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)nn1 ZINC000736436075 600756154 /nfs/dbraw/zinc/75/61/54/600756154.db2.gz PSKUQJNVOJKMSC-UHFFFAOYSA-N -2 0 373.435 0.095 20 0 FCADRL CS(=O)(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000738126688 600785551 /nfs/dbraw/zinc/78/55/51/600785551.db2.gz HMCYNSDJFOBUDC-UHFFFAOYSA-N -2 0 373.412 0.427 20 0 FCADRL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](C(=O)[O-])c1ccccn1 ZINC000833004790 600916117 /nfs/dbraw/zinc/91/61/17/600916117.db2.gz ZZFLJTBXLKYOKB-MRXNPFEDSA-N -2 0 355.354 0.931 20 0 FCADRL CCCc1ncc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)s1 ZINC000829570498 600943399 /nfs/dbraw/zinc/94/33/99/600943399.db2.gz DUKGWZCQENDCJY-UHFFFAOYSA-N -2 0 361.445 0.867 20 0 FCADRL O=C([O-])CCN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CCOCC1 ZINC000833232228 600963765 /nfs/dbraw/zinc/96/37/65/600963765.db2.gz YCGAGQNKLAIDFV-UHFFFAOYSA-N -2 0 362.342 0.532 20 0 FCADRL CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC000831000363 600984031 /nfs/dbraw/zinc/98/40/31/600984031.db2.gz DWVXLOPWNOSWDM-UHFFFAOYSA-N -2 0 373.778 0.177 20 0 FCADRL COC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n1 ZINC000831192339 600986421 /nfs/dbraw/zinc/98/64/21/600986421.db2.gz HJCWDFAVGLGVKL-UHFFFAOYSA-N -2 0 358.307 0.089 20 0 FCADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ncn(CC(=O)[O-])n1 ZINC000832413234 600986956 /nfs/dbraw/zinc/98/69/56/600986956.db2.gz LBPPRQOICSAGKF-UHFFFAOYSA-N -2 0 369.359 0.131 20 0 FCADRL COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c1 ZINC000831379640 600987033 /nfs/dbraw/zinc/98/70/33/600987033.db2.gz SHCWSCQDOVRGFE-UHFFFAOYSA-N -2 0 354.344 0.259 20 0 FCADRL CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000825828866 601192409 /nfs/dbraw/zinc/19/24/09/601192409.db2.gz PMPOAFWROWICRI-INIZCTEOSA-N -2 0 368.411 0.589 20 0 FCADRL CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000825828627 601192503 /nfs/dbraw/zinc/19/25/03/601192503.db2.gz IUNUYKLJRZPYOV-ZDUSSCGKSA-N -2 0 360.413 0.510 20 0 FCADRL CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1 ZINC000831037778 601231147 /nfs/dbraw/zinc/23/11/47/601231147.db2.gz DOXNUMRKEOWSCO-UHFFFAOYSA-N -2 0 374.396 0.995 20 0 FCADRL CN(C)C(=O)CCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000390332279 601232377 /nfs/dbraw/zinc/23/23/77/601232377.db2.gz HUTYHCKJTOTGSE-UHFFFAOYSA-N -2 0 350.343 0.810 20 0 FCADRL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)s1 ZINC000833087055 601239481 /nfs/dbraw/zinc/23/94/81/601239481.db2.gz YQJOESXXZRDRMN-JGVFFNPUSA-N -2 0 360.413 0.543 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1C(N)=O ZINC000832954531 601240038 /nfs/dbraw/zinc/24/00/38/601240038.db2.gz IQFLVYGFCOUQEN-QWRGUYRKSA-N -2 0 368.411 0.790 20 0 FCADRL CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC000066585167 601328156 /nfs/dbraw/zinc/32/81/56/601328156.db2.gz RWSPJLQFMOOKIU-UHFFFAOYSA-N -2 0 370.362 0.609 20 0 FCADRL COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1 ZINC000831123692 601330557 /nfs/dbraw/zinc/33/05/57/601330557.db2.gz AZVBBRSKQJJCAU-QPJJXVBHSA-N -2 0 365.367 0.955 20 0 FCADRL CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000830140325 601385968 /nfs/dbraw/zinc/38/59/68/601385968.db2.gz LEAUJLCPTZVRPK-UHFFFAOYSA-N -2 0 354.344 0.114 20 0 FCADRL CC(C)C[C@@H](C)OCCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000826763475 601598173 /nfs/dbraw/zinc/59/81/73/601598173.db2.gz AJRSKZLKRJHZNG-GFCCVEGCSA-N -2 0 364.464 0.985 20 0 FCADRL Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000833041955 601599298 /nfs/dbraw/zinc/59/92/98/601599298.db2.gz IBAGLWQZDSHSRH-UHFFFAOYSA-N -2 0 365.367 0.082 20 0 FCADRL COc1ccc(Br)c(S(=O)(=O)[N-]C(=O)CNC(=O)[O-])c1 ZINC000832143233 601600422 /nfs/dbraw/zinc/60/04/22/601600422.db2.gz YSHSUKVFSNOGPP-UHFFFAOYSA-N -2 0 367.177 0.530 20 0 FCADRL COc1cc(C(=O)N(CC(=O)[O-])C2CC2)cc([N-]S(C)(=O)=O)c1OC ZINC000831866587 601672866 /nfs/dbraw/zinc/67/28/66/601672866.db2.gz VXMZKNAIDRHYFU-UHFFFAOYSA-N -2 0 372.399 0.765 20 0 FCADRL O=C([O-])[C@H]1COCCN1C(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000823845355 601721454 /nfs/dbraw/zinc/72/14/54/601721454.db2.gz CVQIHYJHXYSHJG-GFCCVEGCSA-N -2 0 363.395 0.387 20 0 FCADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H](CC(=O)OC)C(=O)[O-])n1 ZINC000830269727 601757362 /nfs/dbraw/zinc/75/73/62/601757362.db2.gz DTUKBZGFFNONSM-NSHDSACASA-N -2 0 361.354 0.886 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1C(=O)[O-] ZINC000833052871 601785211 /nfs/dbraw/zinc/78/52/11/601785211.db2.gz MDKCWKUSXLALNG-UHFFFAOYSA-N -2 0 364.383 0.715 20 0 FCADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccccc1-n1cnnn1 ZINC000833346364 601836241 /nfs/dbraw/zinc/83/62/41/601836241.db2.gz OLYMIDPQDKAAIA-UHFFFAOYSA-N -2 0 352.357 0.618 20 0 FCADRL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1 ZINC000831466817 601839888 /nfs/dbraw/zinc/83/98/88/601839888.db2.gz HOWTYIJMQWIWRK-UHFFFAOYSA-N -2 0 374.762 0.604 20 0 FCADRL COC(=O)Cc1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000831188479 601987545 /nfs/dbraw/zinc/98/75/45/601987545.db2.gz AHKSUWUDGRLGTK-UHFFFAOYSA-N -2 0 353.356 0.484 20 0 FCADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000827303279 602193902 /nfs/dbraw/zinc/19/39/02/602193902.db2.gz CVZJBGZRCJSNPH-SECBINFHSA-N -2 0 355.347 0.927 20 0 FCADRL Cc1nnc(-c2cccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c2)o1 ZINC000833017245 602258226 /nfs/dbraw/zinc/25/82/26/602258226.db2.gz BWDYRURVRYMUNV-UHFFFAOYSA-N -2 0 353.356 0.969 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)C(=O)[O-])c2)no1 ZINC000740087423 602273446 /nfs/dbraw/zinc/27/34/46/602273446.db2.gz BIFLKKRYOQQGBK-SECBINFHSA-N -2 0 353.356 0.987 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])cc1C(N)=O ZINC000832654723 602320127 /nfs/dbraw/zinc/32/01/27/602320127.db2.gz VDNMXFRWYVPKGH-UHFFFAOYSA-N -2 0 365.367 0.997 20 0 FCADRL O=C([O-])[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000833101322 604733839 /nfs/dbraw/zinc/73/38/39/604733839.db2.gz PROAHMKJAVTIKU-RYUDHWBXSA-N -2 0 355.368 0.287 20 0 FCADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000827303980 604736152 /nfs/dbraw/zinc/73/61/52/604736152.db2.gz MXBDZNCYLSOCEX-NXEZZACHSA-N -2 0 364.420 0.553 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000262560795 604748133 /nfs/dbraw/zinc/74/81/33/604748133.db2.gz ZQXOJZTWHJUBJT-UHFFFAOYSA-N -2 0 356.400 0.500 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cnc(Br)cn2)c1C(=O)[O-] ZINC000832991068 604773644 /nfs/dbraw/zinc/77/36/44/604773644.db2.gz JTXLEXICJFOIBL-UHFFFAOYSA-N -2 0 362.165 0.770 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)NCC(=O)[O-])c2)o1 ZINC000833751133 605006216 /nfs/dbraw/zinc/00/62/16/605006216.db2.gz PIFXLUXFCMJBKY-UHFFFAOYSA-N -2 0 374.396 0.752 20 0 FCADRL CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])cn1C ZINC000833687212 605041841 /nfs/dbraw/zinc/04/18/41/605041841.db2.gz LWNGMSJFYDYWEK-UHFFFAOYSA-N -2 0 358.401 0.682 20 0 FCADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1OCC(N)=O ZINC000833733065 605186520 /nfs/dbraw/zinc/18/65/20/605186520.db2.gz BXVYZHLNBUMJGY-UHFFFAOYSA-N -2 0 370.339 0.651 20 0 FCADRL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000833701005 605231625 /nfs/dbraw/zinc/23/16/25/605231625.db2.gz ZWHZEYXUCVWWIC-VXGBXAGGSA-N -2 0 368.411 0.742 20 0 FCADRL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-])cc1 ZINC000833700202 605231656 /nfs/dbraw/zinc/23/16/56/605231656.db2.gz HHBIWUDWINHUSJ-UHFFFAOYSA-N -2 0 357.388 0.241 20 0 FCADRL CN(CC(=O)[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1)C(=O)[O-] ZINC000833691399 605405739 /nfs/dbraw/zinc/40/57/39/605405739.db2.gz DZWYFTQGTMKQNO-UHFFFAOYSA-N -2 0 371.293 0.437 20 0 FCADRL COC(=O)[C@H]1CCN(CC(=O)[N-]OCc2ccccc2)[C@H](C(=O)[O-])C1 ZINC000833705606 605681117 /nfs/dbraw/zinc/68/11/17/605681117.db2.gz DMWYYXINZBPAQQ-KBPBESRZSA-N -2 0 350.371 0.573 20 0 FCADRL O=C([O-])N1CCC[C@H](NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000831567150 605712326 /nfs/dbraw/zinc/71/23/26/605712326.db2.gz CSIXAHAVLSJFKC-JTQLQIEISA-N -2 0 362.411 0.944 20 0 FCADRL CC(C)N(C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000729914326 665753500 /nfs/dbraw/zinc/75/35/00/665753500.db2.gz FCOBWEAOVKOBGM-UHFFFAOYSA-N -2 0 370.456 0.537 20 0 FCADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]NC(=O)NCc2ccco2)cc1 ZINC000064939679 663344851 /nfs/dbraw/zinc/34/48/51/663344851.db2.gz VREHOMOZBBFEGY-UHFFFAOYSA-N -2 0 367.383 0.990 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)nc2)cc1C(=O)[O-] ZINC000324879882 664863449 /nfs/dbraw/zinc/86/34/49/664863449.db2.gz QEVJQCVJPWSAIZ-UHFFFAOYSA-N -2 0 373.412 0.806 20 0 FCADRL CCCC[C@H](NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)[O-] ZINC000916107972 666990929 /nfs/dbraw/zinc/99/09/29/666990929.db2.gz XUMWOPJEQJKORF-LBPRGKRZSA-N -2 0 372.399 0.423 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)C1=O ZINC000916105126 666991278 /nfs/dbraw/zinc/99/12/78/666991278.db2.gz PAQCAODINWNEHU-CQSZACIVSA-N -2 0 355.372 0.607 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)C1=O ZINC000917061093 667050060 /nfs/dbraw/zinc/05/00/60/667050060.db2.gz RZUSWGJGRAWTQB-OAHLLOKOSA-N -2 0 369.399 0.915 20 0 FCADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000917716791 667083772 /nfs/dbraw/zinc/08/37/72/667083772.db2.gz BXJNLQDXKYSUMD-JTQLQIEISA-N -3 0 359.356 0.714 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H](O)C(F)(F)F ZINC000923255080 667819727 /nfs/dbraw/zinc/81/97/27/667819727.db2.gz HPMHZHARTRDJIU-QYNIQEEDSA-N -2 0 352.231 0.506 20 0 FCADRL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000774623157 668163041 /nfs/dbraw/zinc/16/30/41/668163041.db2.gz WIOYCXXVPXFDCW-UHFFFAOYSA-N -2 0 357.348 0.127 20 0 FCADRL COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000776437539 668261791 /nfs/dbraw/zinc/26/17/91/668261791.db2.gz QKWMIUCOHXEYTF-KFRNIWOLSA-N -2 0 371.367 0.469 20 0 FCADRL COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000776635752 668281332 /nfs/dbraw/zinc/28/13/32/668281332.db2.gz SJEMKOFCSKFAKL-MEQVVJDKSA-N -2 0 371.367 0.327 20 0 FCADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)cc1C(=O)[O-] ZINC000795344232 669027976 /nfs/dbraw/zinc/02/79/76/669027976.db2.gz GBFXDYOZYLVBKI-UHFFFAOYSA-N -2 0 374.762 0.670 20 0 FCADRL CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2c(C)cnn2C)cc1 ZINC000795562249 669044778 /nfs/dbraw/zinc/04/47/78/669044778.db2.gz KIMXUNSBYPWUHV-UHFFFAOYSA-N -2 0 372.428 0.354 20 0 FCADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)CC(F)(F)F)c1 ZINC000820133172 669060268 /nfs/dbraw/zinc/06/02/68/669060268.db2.gz JUOFGHOJURFBTF-NRFANRHFSA-N -2 0 359.347 0.811 20 0 FCADRL O=C(CCc1ccc(-c2nn[nH]n2)cc1)[N-]S(=O)(=O)Cc1ccon1 ZINC000822978772 669311245 /nfs/dbraw/zinc/31/12/45/669311245.db2.gz QNBQWYFTFHTVIW-UHFFFAOYSA-N -2 0 362.371 0.434 20 0 FCADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC000816732366 669975728 /nfs/dbraw/zinc/97/57/28/669975728.db2.gz DJNMJDDPWGHCBD-UHFFFAOYSA-N -2 0 361.339 0.968 20 0 FCADRL CSCCO[N-]C(=O)c1cc(=O)cc(C(=O)[N-]OCCSC)o1 ZINC000834822044 669977974 /nfs/dbraw/zinc/97/79/74/669977974.db2.gz AHNWGGZMDKSCHV-UHFFFAOYSA-N -2 0 362.429 0.689 20 0 FCADRL CCO[N-]C(=O)CNc1nc2c(c(NCC(=O)[N-]OCC)n1)SCC2 ZINC000845718632 671033801 /nfs/dbraw/zinc/03/38/01/671033801.db2.gz TXMLTQDPVQEAAX-UHFFFAOYSA-N -2 0 370.435 0.084 20 0 FCADRL CCO[N-]C(=O)CNC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000846497592 671117775 /nfs/dbraw/zinc/11/77/75/671117775.db2.gz VDRRSGXOSJDXSV-UHFFFAOYSA-N -2 0 350.400 0.503 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)c1ccco1 ZINC000849232947 671324172 /nfs/dbraw/zinc/32/41/72/671324172.db2.gz UPMLLVCNZZNONR-VXNVDRBHSA-N -2 0 370.305 0.564 20 0 FCADRL COC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1C ZINC000863406184 672121432 /nfs/dbraw/zinc/12/14/32/672121432.db2.gz XAXQHNAZGAVDKS-SNVBAGLBSA-N -2 0 360.344 0.380 20 0 FCADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000863952320 672163615 /nfs/dbraw/zinc/16/36/15/672163615.db2.gz RZQXSSYNDHTJKB-LLVKDONJSA-N -2 0 367.387 0.214 20 0 FCADRL CCCn1c(=O)[nH]c2cc(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])ccc21 ZINC000863952900 672163931 /nfs/dbraw/zinc/16/39/31/672163931.db2.gz HTUSZHIDSYRVGG-UHFFFAOYSA-N -2 0 371.371 0.058 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)O1 ZINC000863952744 672163986 /nfs/dbraw/zinc/16/39/86/672163986.db2.gz GINMPNXQYNVDTD-NEPJUHHUSA-N -2 0 371.367 0.285 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000863953989 672164548 /nfs/dbraw/zinc/16/45/48/672164548.db2.gz HNYCOMZWNMYBGA-LLVKDONJSA-N -2 0 357.388 0.017 20 0 FCADRL NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)C2(CC(=O)[O-])CCC2)cc1 ZINC000863954048 672164944 /nfs/dbraw/zinc/16/49/44/672164944.db2.gz JVXIGNSWIOHSFI-UHFFFAOYSA-N -2 0 369.399 0.305 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1C(N)=O ZINC000863954855 672165151 /nfs/dbraw/zinc/16/51/51/672165151.db2.gz OWHZCYKVCDLWRQ-NSHDSACASA-N -2 0 356.400 0.646 20 0 FCADRL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC000863955167 672165223 /nfs/dbraw/zinc/16/52/23/672165223.db2.gz BTOLBWOYCBOITN-LBPRGKRZSA-N -2 0 370.427 0.940 20 0 FCADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000863955645 672165527 /nfs/dbraw/zinc/16/55/27/672165527.db2.gz SXLZJXYWWNNSDY-NSHDSACASA-N -2 0 363.413 0.252 20 0 FCADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000863955393 672165701 /nfs/dbraw/zinc/16/57/01/672165701.db2.gz KMLVSHGVRWLAMA-LBPRGKRZSA-N -2 0 356.400 0.550 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)c(C)c1 ZINC000863959945 672167688 /nfs/dbraw/zinc/16/76/88/672167688.db2.gz FMEJQQGYQPPJFJ-NWDGAFQWSA-N -2 0 357.384 0.831 20 0 FCADRL CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000863960901 672168329 /nfs/dbraw/zinc/16/83/29/672168329.db2.gz DZLTZOVMGMHTIK-GFCCVEGCSA-N -2 0 370.427 0.739 20 0 FCADRL CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000863961611 672168660 /nfs/dbraw/zinc/16/86/60/672168660.db2.gz NXVJZXIEICNTQD-NSHDSACASA-N -2 0 364.420 0.410 20 0 FCADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)CSCC(=O)[O-] ZINC000863961539 672168667 /nfs/dbraw/zinc/16/86/67/672168667.db2.gz QTZASTWMSMSISC-UHFFFAOYSA-N -2 0 353.805 0.971 20 0 FCADRL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000863962211 672168956 /nfs/dbraw/zinc/16/89/56/672168956.db2.gz WDRACIGSOLMNNI-UWVGGRQHSA-N -2 0 351.421 0.911 20 0 FCADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)nc1 ZINC000863963891 672170208 /nfs/dbraw/zinc/17/02/08/672170208.db2.gz JXRZKTNXARHUNV-SNVBAGLBSA-N -2 0 366.355 0.056 20 0 FCADRL C[C@@H](Cn1cccn1)NC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000046466119 1196688091 /nfs/dbraw/zinc/68/80/91/1196688091.db2.gz QZQRKARGOGFWJA-LBPRGKRZSA-N -2 0 369.385 0.807 20 0 FCADRL Cc1c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)nnn1-c1ccc(OC(C)C)cc1 ZINC000820289165 1203183427 /nfs/dbraw/zinc/18/34/27/1203183427.db2.gz SOZSETNNAIVRQB-UHFFFAOYSA-N -2 0 359.346 0.750 20 0 FCADRL O=C(N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-])N[C@@H]1CCCCNC1=O ZINC000045669490 1211928285 /nfs/dbraw/zinc/92/82/85/1211928285.db2.gz CFJWMTLLJKHEJB-GFCCVEGCSA-N -2 0 372.385 0.191 20 0 FCADRL COC(=O)c1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(OC)c1 ZINC001222821909 1225656411 /nfs/dbraw/zinc/65/64/11/1225656411.db2.gz VHNOMSITOWIUDE-GXFFZTMASA-N -2 0 370.310 0.061 20 0 FCADRL COC(=O)c1ccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1OC ZINC001223288960 1225695934 /nfs/dbraw/zinc/69/59/34/1225695934.db2.gz UJDGUGNNXYMZQP-ZWNOBZJWSA-N -2 0 370.310 0.061 20 0 FCADRL COC(=O)c1cccc(OC)c1COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001223405458 1225704316 /nfs/dbraw/zinc/70/43/16/1225704316.db2.gz DQQWUZNLXNQFCL-RNCFNFMXSA-N -2 0 370.310 0.061 20 0 FCADRL COc1ccc(C(C)=O)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1OC ZINC001227416634 1225873381 /nfs/dbraw/zinc/87/33/81/1225873381.db2.gz GKGHUXVUVXMSMX-JOYOIKCWSA-N -2 0 370.310 0.348 20 0 FCADRL COc1cc(CCC(C)=O)ccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227530016 1225878235 /nfs/dbraw/zinc/87/82/35/1225878235.db2.gz YZFGHVCDBKYLOW-IAQYHMDHSA-N -2 0 368.338 0.659 20 0 FCADRL COc1cc(OC)c(C(C)=O)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001229474542 1226013781 /nfs/dbraw/zinc/01/37/81/1226013781.db2.gz WSOLLANBCAOOGS-YMTOWFKASA-N -2 0 370.310 0.348 20 0 FCADRL COc1ccc2c(c1)[nH]c(=O)cc2OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230686901 1226086057 /nfs/dbraw/zinc/08/60/57/1226086057.db2.gz WXNKAHOXBAGROU-XPTSAGLGSA-N -2 0 365.294 0.391 20 0 FCADRL COC(=O)C[C@H](C)c1cccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001231009233 1226094537 /nfs/dbraw/zinc/09/45/37/1226094537.db2.gz DDXGBXPQKYWLOI-TURKWSHLSA-N -2 0 368.338 0.795 20 0 FCADRL COC(=O)c1ccc2occc2c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001231385303 1226105531 /nfs/dbraw/zinc/10/55/31/1226105531.db2.gz OMUUPDOBMWCIQU-JOYOIKCWSA-N -2 0 366.278 0.661 20 0 FCADRL NC(=O)c1cc2ccccc2cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001233569907 1259552109 /nfs/dbraw/zinc/55/21/09/1259552109.db2.gz QDXJWOJURVOKDB-FZMZJTMJSA-N -2 0 361.306 0.381 20 0 FCADRL COc1cc(O)c(C)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1C(C)=O ZINC001234792735 1259564603 /nfs/dbraw/zinc/56/46/03/1259564603.db2.gz GVPCNEZPBIXXNR-ISVAXAHUSA-N -2 0 370.310 0.354 20 0 FCADRL C[C@](CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)(C(=O)[O-])c1ccccc1 ZINC001552397991 1268458025 /nfs/dbraw/zinc/45/80/25/1268458025.db2.gz HLXGIRVMARBRLU-VHSSKADRSA-N -2 0 362.382 0.772 20 0 FCADRL Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001557704246 1268969515 /nfs/dbraw/zinc/96/95/15/1268969515.db2.gz VSBRWDOJRGUIEH-UHFFFAOYSA-N -2 0 366.399 0.377 20 0 FCADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CCOC[C@H]3c3nnn[n-]3)n2)c1 ZINC001557850349 1268982354 /nfs/dbraw/zinc/98/23/54/1268982354.db2.gz CHIXLORCCMBRHD-LBPRGKRZSA-N -2 0 373.348 0.752 20 0 FCADRL O=C([O-])CCNC(=O)CC[N-]S(=O)(=O)c1occc1Br ZINC001602018995 1286902136 /nfs/dbraw/zinc/90/21/36/1286902136.db2.gz BLKRVMATPMLOJF-UHFFFAOYSA-N -2 0 369.193 0.301 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc2cc[nH]c(=O)c2s1 ZINC001603187560 1287325291 /nfs/dbraw/zinc/32/52/91/1287325291.db2.gz IPVOOTDGNGMKAU-RNFRBKRXSA-N -2 0 358.397 0.758 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2=O)cc1 ZINC001603188078 1287325120 /nfs/dbraw/zinc/32/51/20/1287325120.db2.gz LINJHMDUSZIJRA-QWRGUYRKSA-N -2 0 368.411 0.982 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cnc(Oc2ccccc2)cn1 ZINC001603204303 1287329234 /nfs/dbraw/zinc/32/92/34/1287329234.db2.gz MNMBAADGATYNHK-SECBINFHSA-N -2 0 351.340 0.802 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1 ZINC001603201926 1287329451 /nfs/dbraw/zinc/32/94/51/1287329451.db2.gz PUQBWEFEKUJHRC-MEBBXXQBSA-N -2 0 361.416 0.974 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1 ZINC001603204313 1287329603 /nfs/dbraw/zinc/32/96/03/1287329603.db2.gz MRRPZZPKWTTYGS-SSDOTTSWSA-N -2 0 353.356 0.610 20 0 FCADRL CC(C)(C)n1cc(Br)c(C(=O)[N-]S(=O)(=O)CC(=O)[O-])n1 ZINC001603564671 1287425191 /nfs/dbraw/zinc/42/51/91/1287425191.db2.gz LZAFQMOWDHZWQI-UHFFFAOYSA-N -2 0 368.209 0.545 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)CN1CCc2ccccc2C1=O)C(=O)[O-] ZINC001603660164 1287460994 /nfs/dbraw/zinc/46/09/94/1287460994.db2.gz NUDMXJQEOPKBOS-UHFFFAOYSA-N -2 0 368.411 0.242 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1ccc(OCC(F)F)nc1)C(=O)[O-] ZINC001603660346 1287461060 /nfs/dbraw/zinc/46/10/60/1287461060.db2.gz PHUOJLYCIJOTEY-UHFFFAOYSA-N -2 0 366.342 0.896 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@@]1(C2CCCC2)CCNC1=O)C(=O)[O-] ZINC001603661097 1287461169 /nfs/dbraw/zinc/46/11/69/1287461169.db2.gz WOBBRSMLOSXUJI-OAHLLOKOSA-N -2 0 360.432 0.240 20 0 FCADRL O=C(NCCN(c1ccnc(-c2nnn[n-]2)n1)C1CC1)c1ncccc1O ZINC001582515359 1281699232 /nfs/dbraw/zinc/69/92/32/1281699232.db2.gz NPPDKNFPDOFSCQ-UHFFFAOYSA-N -2 0 367.373 0.156 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)NC[C@H](Cc2ccncc2)C(=O)[O-])cc1=O ZINC001603853514 1287520612 /nfs/dbraw/zinc/52/06/12/1287520612.db2.gz PELNUEWMTYWNMZ-AWEZNQCLSA-N -2 0 360.414 0.830 20 0 FCADRL CC[C@@H]1C[C@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCO1 ZINC001590503830 1283571979 /nfs/dbraw/zinc/57/19/79/1283571979.db2.gz SCLWYLHPPAYWOZ-MWLCHTKSSA-N -2 0 373.373 0.863 20 0 FCADRL CCn1ccc(CC(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)n1 ZINC001590958981 1284009429 /nfs/dbraw/zinc/00/94/29/1284009429.db2.gz PJSGVEWIBWSVDD-UHFFFAOYSA-N -2 0 369.345 0.117 20 0 FCADRL CO[C@H]1CC[C@@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1 ZINC001591347030 1284484280 /nfs/dbraw/zinc/48/42/80/1284484280.db2.gz AINVVIVIQBJDGZ-SCZZXKLOSA-N -2 0 359.346 0.473 20 0 FCADRL CO[C@@H]1CCCC[C@@H]1C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001591355504 1284490355 /nfs/dbraw/zinc/49/03/55/1284490355.db2.gz ZROMBGXTXSLFMS-CMPLNLGQSA-N -2 0 373.373 0.863 20 0 FCADRL COCCC(C)(C)C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001591397710 1284537721 /nfs/dbraw/zinc/53/77/21/1284537721.db2.gz ZQBALVWUWMRXLW-UHFFFAOYSA-N -2 0 361.362 0.721 20 0 FCADRL COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001591421088 1284571434 /nfs/dbraw/zinc/57/14/34/1284571434.db2.gz OGMLCOLZGSOCTJ-SSDOTTSWSA-N -2 0 361.405 0.038 20 0 FCADRL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N(CC(=O)[O-])CC1CC1 ZINC001591793076 1284907263 /nfs/dbraw/zinc/90/72/63/1284907263.db2.gz HALVWHJUJLQWKZ-UHFFFAOYSA-N -2 0 374.401 0.840 20 0 FCADRL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CCC[C@H]1C(=O)[O-] ZINC001591795317 1284910952 /nfs/dbraw/zinc/91/09/52/1284910952.db2.gz ZBWCITDMMOVOSO-NSHDSACASA-N -2 0 360.374 0.592 20 0 FCADRL Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C ZINC001592109728 1285145020 /nfs/dbraw/zinc/14/50/20/1285145020.db2.gz ZNGNORQAJQXDQV-LLVKDONJSA-N -2 0 367.387 0.337 20 0 FCADRL Cn1nnc([N-]S(=O)(=O)c2c3ccccc3sc2-c2nnn[n-]2)n1 ZINC001592609020 1285553357 /nfs/dbraw/zinc/55/33/57/1285553357.db2.gz IPMADCVJCZHIFQ-UHFFFAOYSA-N -2 0 363.388 0.406 20 0 FCADRL O=C([O-])[C@H]1N(S(=O)(=O)c2ccsc2-c2nnn[n-]2)CC12CCC2 ZINC001593275949 1286059010 /nfs/dbraw/zinc/05/90/10/1286059010.db2.gz GYXSDJKUSCPMLH-SECBINFHSA-N -2 0 355.401 0.556 20 0 FCADRL O=C(OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1(C(F)F)CC1 ZINC001593295638 1286067778 /nfs/dbraw/zinc/06/77/78/1286067778.db2.gz RQKJIUBAPVJMMX-UHFFFAOYSA-N -2 0 351.273 0.704 20 0 FCADRL CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001609289136 1289056205 /nfs/dbraw/zinc/05/62/05/1289056205.db2.gz MNZRZDLCRPXPAL-UHFFFAOYSA-N -2 0 362.371 0.929 20 0 FCADRL COC(=O)C12CC(C(=O)[N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)(C1)C2 ZINC001598727165 1286402286 /nfs/dbraw/zinc/40/22/86/1286402286.db2.gz NGKUTOJHKHTMIE-UHFFFAOYSA-N -2 0 353.352 0.533 20 0 FCADRL Cc1c(C(=O)[O-])cc(CNC(=O)C(=O)[N-]OCCC(F)(F)F)n1C ZINC001599987402 1286418001 /nfs/dbraw/zinc/41/80/01/1286418001.db2.gz KULMMBLNMNBALL-UHFFFAOYSA-N -2 0 351.281 0.648 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC001599996743 1286419973 /nfs/dbraw/zinc/41/99/73/1286419973.db2.gz GRESHZCTZLEMDH-GHMZBOCLSA-N -3 0 371.367 0.489 20 0 FCADRL Cc1c([C@H](NS(=O)(=O)c2cccc(F)c2C(=O)[O-])C(=O)[O-])cnn1C ZINC001600009052 1286423407 /nfs/dbraw/zinc/42/34/07/1286423407.db2.gz HLVPZVKZLJZULC-LBPRGKRZSA-N -2 0 371.346 0.670 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cnn1CC(=O)[O-] ZINC001600055042 1286433254 /nfs/dbraw/zinc/43/32/54/1286433254.db2.gz WPAOKNNECFPJRU-UHFFFAOYSA-N -3 0 357.319 0.914 20 0 FCADRL Cc1cc(-n2cncn2)ccc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC001600064599 1286435132 /nfs/dbraw/zinc/43/51/32/1286435132.db2.gz VOPWGVXIFFCOKD-UHFFFAOYSA-N -2 0 352.372 0.500 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])n(C2CCOCC2)n1 ZINC001600096574 1286440863 /nfs/dbraw/zinc/44/08/63/1286440863.db2.gz SSTVFQFLZBHWKM-UHFFFAOYSA-N -2 0 373.431 0.713 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)cc2=O)n1 ZINC001600181364 1286451216 /nfs/dbraw/zinc/45/12/16/1286451216.db2.gz GYWHQUFNMFYLMZ-GFCCVEGCSA-N -2 0 371.397 0.899 20 0 FCADRL Cc1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@]3(CCOC3)C2)oc1C(=O)[O-] ZINC001600293817 1286470747 /nfs/dbraw/zinc/47/07/47/1286470747.db2.gz VBFWLVYZNHWWOF-YMTOWFKASA-N -2 0 359.356 0.398 20 0 FCADRL Cc1ccc(N2C[C@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])CC2=O)cc1F ZINC001600435169 1286485190 /nfs/dbraw/zinc/48/51/90/1286485190.db2.gz NFUANEMFHIMRND-SECBINFHSA-N -2 0 358.347 0.018 20 0 FCADRL Cc1cccc(C[C@H](CNS(=O)(=O)N(C)CCC(=O)[O-])C(=O)[O-])c1 ZINC001600530324 1286503026 /nfs/dbraw/zinc/50/30/26/1286503026.db2.gz XQCLEQALNSHIRH-CYBMUJFWSA-N -2 0 358.416 0.479 20 0 FCADRL Cc1cccc([C@@H]2CN(S(=O)(=O)N(C)CCC(=O)[O-])C[C@H]2C(=O)[O-])c1 ZINC001600550924 1286506380 /nfs/dbraw/zinc/50/63/80/1286506380.db2.gz ITNLCTGDTDLFHM-UONOGXRCSA-N -2 0 370.427 0.746 20 0 FCADRL Cc1cccn2c(=O)c(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cnc12 ZINC001600588940 1286510518 /nfs/dbraw/zinc/51/05/18/1286510518.db2.gz VQNZISYMENVFCA-UHFFFAOYSA-N -2 0 367.383 0.173 20 0 FCADRL Cc1nc(CNS(=O)(=O)c2csnc2C(=O)[O-])ccc1C(=O)[O-] ZINC001600702136 1286529502 /nfs/dbraw/zinc/52/95/02/1286529502.db2.gz YFLFDCJAUIKVBX-UHFFFAOYSA-N -3 0 357.369 0.721 20 0 FCADRL Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001600783084 1286545126 /nfs/dbraw/zinc/54/51/26/1286545126.db2.gz YOOHYVSEJYBTLV-UHFFFAOYSA-N -2 0 371.353 0.858 20 0 FCADRL Cc1nnnn1-c1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC001600800694 1286547525 /nfs/dbraw/zinc/54/75/25/1286547525.db2.gz PYCCLBMAZHSRBG-BDAKNGLRSA-N -2 0 367.387 0.140 20 0 FCADRL Cc1oc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])cc1S(C)(=O)=O ZINC001600823230 1286552354 /nfs/dbraw/zinc/55/23/54/1286552354.db2.gz IZVUJVOBKUZNOO-SVRRBLITSA-N -2 0 367.401 0.160 20 0 FCADRL Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001600823027 1286552453 /nfs/dbraw/zinc/55/24/53/1286552453.db2.gz YKPCHTQWPKPALL-APPZFPTMSA-N -2 0 370.387 0.552 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](Cc1cccnc1)C(=O)[O-] ZINC001600835299 1286553107 /nfs/dbraw/zinc/55/31/07/1286553107.db2.gz RDLGRQTVSJAEPJ-LLVKDONJSA-N -2 0 368.367 0.903 20 0 FCADRL Cn1c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])nc3)cc2n(C)c1=O ZINC001600895175 1286564462 /nfs/dbraw/zinc/56/44/62/1286564462.db2.gz WPHPKORROFHNJC-UHFFFAOYSA-N -2 0 362.367 0.771 20 0 FCADRL Cn1cc(C[C@@H](NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C(=O)[O-])cn1 ZINC001600947964 1286577936 /nfs/dbraw/zinc/57/79/36/1286577936.db2.gz NZKHUXYACCZQLE-GFCCVEGCSA-N -2 0 371.346 0.232 20 0 FCADRL Cn1cc(S(=O)(=O)N(CCC(=O)[O-])Cc2ccncc2)cc1C(=O)[O-] ZINC001600967076 1286583052 /nfs/dbraw/zinc/58/30/52/1286583052.db2.gz CCWGZEMGYREHGC-UHFFFAOYSA-N -2 0 367.383 0.784 20 0 FCADRL Cn1cc(S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1C(=O)[O-] ZINC001600968665 1286585397 /nfs/dbraw/zinc/58/53/97/1286585397.db2.gz ZLFUIBXFOHBSHV-LBPRGKRZSA-N -2 0 368.367 0.403 20 0 FCADRL Cn1ccnc1[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CCO1 ZINC001600984742 1286588863 /nfs/dbraw/zinc/58/88/63/1286588863.db2.gz UDBRPXPEXAWFQM-SCZZXKLOSA-N -2 0 356.360 0.305 20 0 FCADRL Cn1ccnc1[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CCO1 ZINC001600984743 1286588975 /nfs/dbraw/zinc/58/89/75/1286588975.db2.gz UDBRPXPEXAWFQM-WCBMZHEXSA-N -2 0 356.360 0.305 20 0 FCADRL Cn1cnc(-c2ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc2)n1 ZINC001600987773 1286590580 /nfs/dbraw/zinc/59/05/80/1286590580.db2.gz ADVATQLIHCVPBG-UHFFFAOYSA-N -2 0 352.372 0.407 20 0 FCADRL Cn1nccc1[C@@H](NS(=O)(=O)Cc1ccccc1C(=O)[O-])C(=O)[O-] ZINC001601035261 1286613914 /nfs/dbraw/zinc/61/39/14/1286613914.db2.gz NZJDABFBJZMAMK-GFCCVEGCSA-N -2 0 353.356 0.364 20 0 FCADRL Cn1nnc([N-]S(=O)(=O)c2cc(Br)ccc2C(=O)[O-])n1 ZINC001601040757 1286619097 /nfs/dbraw/zinc/61/90/97/1286619097.db2.gz HUTHGQKZBYHPRT-UHFFFAOYSA-N -2 0 362.165 0.472 20 0 FCADRL NC(=O)[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC001601145898 1286653714 /nfs/dbraw/zinc/65/37/14/1286653714.db2.gz UWYJKZWGTLDCBN-YUMQZZPRSA-N -2 0 360.413 0.543 20 0 FCADRL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC001601167474 1286669185 /nfs/dbraw/zinc/66/91/85/1286669185.db2.gz SNFMWSUSKKREMX-UHFFFAOYSA-N -2 0 366.395 0.626 20 0 FCADRL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)Cc2ccccc2C(=O)[O-])s1 ZINC001601167034 1286669821 /nfs/dbraw/zinc/66/98/21/1286669821.db2.gz CNMAOAVZPJGJQH-UHFFFAOYSA-N -2 0 368.392 0.593 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])c2cccs2)c1 ZINC001601199679 1286694592 /nfs/dbraw/zinc/69/45/92/1286694592.db2.gz FQPYTRKNGGTBKO-NSHDSACASA-N -2 0 356.381 0.657 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)CCC(=O)c2ccccn2)CC1 ZINC001601262676 1286709101 /nfs/dbraw/zinc/70/91/01/1286709101.db2.gz RVHWSYZLUQOGDX-UHFFFAOYSA-N -2 0 369.399 0.202 20 0 FCADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C(=O)CCc2nnc[nH]2)c1F ZINC001601297742 1286714516 /nfs/dbraw/zinc/71/45/16/1286714516.db2.gz YRQJIDVNFUGHIE-UHFFFAOYSA-N -2 0 360.298 0.219 20 0 FCADRL O=C([O-])c1ccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)c(OCC(F)F)c1 ZINC001601378699 1286736939 /nfs/dbraw/zinc/73/69/39/1286736939.db2.gz HMQUTSMAVONMTC-UHFFFAOYSA-N -2 0 358.257 0.670 20 0 FCADRL O=C([O-])[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccccc1Br ZINC001601399019 1286740742 /nfs/dbraw/zinc/74/07/42/1286740742.db2.gz CKVNDNSNMZLUMX-SSDOTTSWSA-N -2 0 369.131 0.601 20 0 FCADRL O=C([O-])[C@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)C1 ZINC001601566706 1286785962 /nfs/dbraw/zinc/78/59/62/1286785962.db2.gz FGTHMIDENRVZJW-CWSCBRNRSA-N -2 0 362.338 0.235 20 0 FCADRL O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ncccn2)c1 ZINC001601619636 1286794337 /nfs/dbraw/zinc/79/43/37/1286794337.db2.gz BZCTXEGLVIAYNX-NWDGAFQWSA-N -2 0 362.367 0.937 20 0 FCADRL O=C([O-])[C@H]1CCCC[C@@H]1S(=O)(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001601810663 1286839424 /nfs/dbraw/zinc/83/94/24/1286839424.db2.gz VXCLZDLQAWSEIO-QWRGUYRKSA-N -2 0 358.420 0.663 20 0 FCADRL O=C([O-])[C@H]1CCCC[C@H]1S(=O)(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001601810664 1286839538 /nfs/dbraw/zinc/83/95/38/1286839538.db2.gz VXCLZDLQAWSEIO-WDEREUQCSA-N -2 0 358.420 0.663 20 0 FCADRL O=C([O-])C[C@@H](O)CNC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC001601913068 1286868782 /nfs/dbraw/zinc/86/87/82/1286868782.db2.gz UDAHUPLPGBCBDN-SSDOTTSWSA-N -2 0 370.305 0.514 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)c1ccc(OCC(F)(F)F)nc1 ZINC001602027324 1286907415 /nfs/dbraw/zinc/90/74/15/1286907415.db2.gz BBJSWGPLTVYVPW-UHFFFAOYSA-N -2 0 356.278 0.557 20 0 FCADRL O=C([O-])CCc1cccc(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001602041197 1286911365 /nfs/dbraw/zinc/91/13/65/1286911365.db2.gz BQGKSMXXUJEFFJ-UHFFFAOYSA-N -2 0 370.427 0.835 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)cc1F ZINC001602132641 1286943899 /nfs/dbraw/zinc/94/38/99/1286943899.db2.gz XVVWGAZRASUKKU-LBPRGKRZSA-N -3 0 359.331 0.369 20 0 FCADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)n1 ZINC001602166292 1286955603 /nfs/dbraw/zinc/95/56/03/1286955603.db2.gz KJFLALOTHZPIIN-UHFFFAOYSA-N -3 0 361.282 0.745 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2nc3cc(Cl)ccn3n2)cn1 ZINC001602164851 1286955615 /nfs/dbraw/zinc/95/56/15/1286955615.db2.gz MODNFWRYUJOJRA-UHFFFAOYSA-N -2 0 356.751 0.465 20 0 FCADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609351640 1289114631 /nfs/dbraw/zinc/11/46/31/1289114631.db2.gz ACVCQWXMVITFNC-UHFFFAOYSA-N -3 0 365.327 0.967 20 0 FCADRL O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cccc(Cl)c1[O-] ZINC001602199102 1286964504 /nfs/dbraw/zinc/96/45/04/1286964504.db2.gz FHAFETKOAFHTBI-XVKPBYJWSA-N -2 0 367.745 0.265 20 0 FCADRL O=C([O-])c1cc(F)cc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)c1F ZINC001602273328 1286979039 /nfs/dbraw/zinc/97/90/39/1286979039.db2.gz QWPRGXDISQBQIL-UHFFFAOYSA-N -2 0 365.310 0.575 20 0 FCADRL O=C([O-])c1cc(F)ccc1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001602276397 1286980911 /nfs/dbraw/zinc/98/09/11/1286980911.db2.gz YUWGNYYIYMPBRH-XLKFXECMSA-N -2 0 359.331 0.246 20 0 FCADRL O=C([O-])c1cc(F)ccc1S(=O)(=O)N1CC2(CCOCC2)[C@H]1C(=O)[O-] ZINC001602277376 1286980923 /nfs/dbraw/zinc/98/09/23/1286980923.db2.gz PQPMYLUFSZVIPK-GFCCVEGCSA-N -2 0 373.358 0.778 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]([C@H]2CCCO2)C2(CO)CCC2)on1 ZINC001602292685 1286983444 /nfs/dbraw/zinc/98/34/44/1286983444.db2.gz CHNPCGUMCXUKSD-ZYHUDNBSSA-N -2 0 360.388 0.361 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CCCS(=O)(=O)c2ccccc2)on1 ZINC001602295982 1286987312 /nfs/dbraw/zinc/98/73/12/1286987312.db2.gz HFRVVHFODQZPCN-UHFFFAOYSA-N -2 0 374.396 0.515 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@]3(CCOC3)C2)cc1 ZINC001602354615 1286990665 /nfs/dbraw/zinc/99/06/65/1286990665.db2.gz JCLJDMDXSNGVLE-XJKSGUPXSA-N -2 0 369.395 0.638 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)N2C[C@H](C(=O)[O-])[C@]3(CCOC3)C2)cc1 ZINC001602354614 1286991087 /nfs/dbraw/zinc/99/10/87/1286991087.db2.gz JCLJDMDXSNGVLE-CZUORRHYSA-N -2 0 369.395 0.638 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CC3(CCOCC3)[C@H]2C(=O)[O-])s1 ZINC001602392899 1286994130 /nfs/dbraw/zinc/99/41/30/1286994130.db2.gz KGMAJIFCQXOULK-SNVBAGLBSA-N -2 0 361.397 0.701 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccccc2)s1 ZINC001602396649 1286996233 /nfs/dbraw/zinc/99/62/33/1286996233.db2.gz XDEGARRGJFITCK-NEPJUHHUSA-N -2 0 371.392 0.911 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)N2CC3(CCOCC3)[C@H]2C(=O)[O-])c1 ZINC001602452653 1287003472 /nfs/dbraw/zinc/00/34/72/1287003472.db2.gz UQSVTHJBLHZNRL-GFCCVEGCSA-N -2 0 355.368 0.639 20 0 FCADRL O=C([O-])c1cnc(C(=O)[N-]S(=O)(=O)Cc2ccc3c(c2)COC3)cn1 ZINC001602508970 1287020623 /nfs/dbraw/zinc/02/06/23/1287020623.db2.gz HNMZJLJLCJSACC-UHFFFAOYSA-N -2 0 363.351 0.465 20 0 FCADRL O=C([O-])c1cnc([N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)cn1 ZINC001602535695 1287021516 /nfs/dbraw/zinc/02/15/16/1287021516.db2.gz HVLIMQOWNQIFPM-UHFFFAOYSA-N -2 0 351.266 0.734 20 0 FCADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)N[C@@H](CCO)C(=O)[O-] ZINC001602594894 1287032959 /nfs/dbraw/zinc/03/29/59/1287032959.db2.gz NONLGABCXYSOSO-QMMMGPOBSA-N -2 0 359.381 0.713 20 0 FCADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)N[C@H](CCO)C(=O)[O-] ZINC001602594893 1287033067 /nfs/dbraw/zinc/03/30/67/1287033067.db2.gz NONLGABCXYSOSO-MRVPVSSYSA-N -2 0 359.381 0.713 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC001602597669 1287033453 /nfs/dbraw/zinc/03/34/53/1287033453.db2.gz VYPIUXIMTLLTGA-OQPBUACISA-N -2 0 361.397 0.558 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)c1cnc2n1CCOC2 ZINC001602598660 1287033890 /nfs/dbraw/zinc/03/38/90/1287033890.db2.gz FVAKKMBORFBWPT-UHFFFAOYSA-N -2 0 357.369 0.292 20 0 FCADRL O=C([O-])C12CC(C(=O)[N-]S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)(C1)C2 ZINC001602648012 1287046895 /nfs/dbraw/zinc/04/68/95/1287046895.db2.gz YGCWCVZBKLROTI-UHFFFAOYSA-N -2 0 364.379 0.631 20 0 FCADRL O=C([O-])C(F)=C(NCc1ccc(Cl)cc1)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001602655550 1287052126 /nfs/dbraw/zinc/05/21/26/1287052126.db2.gz DOKOYTGMBRPSHL-SECBINFHSA-N -2 0 371.777 0.637 20 0 FCADRL CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nn2)cc1 ZINC001603005956 1287178502 /nfs/dbraw/zinc/17/85/02/1287178502.db2.gz HESHTFZWQBGOTE-UHFFFAOYSA-N -2 0 350.356 0.958 20 0 FCADRL CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001603047751 1287196890 /nfs/dbraw/zinc/19/68/90/1287196890.db2.gz OSEVEKMYPYTDJW-SNVBAGLBSA-N -2 0 372.399 0.293 20 0 FCADRL CCOC(=O)NCCC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001605550895 1287998045 /nfs/dbraw/zinc/99/80/45/1287998045.db2.gz FRYMSEYPEYPNCI-UHFFFAOYSA-N -2 0 358.372 0.467 20 0 FCADRL CCOC[C@@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C(=O)[O-] ZINC001605640505 1288043531 /nfs/dbraw/zinc/04/35/31/1288043531.db2.gz IREUKXJMGJSWCX-MRVPVSSYSA-N -2 0 353.299 0.431 20 0 FCADRL CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cn2cc(C(=O)[O-])cn2)c1 ZINC001605733177 1288065636 /nfs/dbraw/zinc/06/56/36/1288065636.db2.gz XEDKLKPPFNSEMG-UHFFFAOYSA-N -2 0 353.356 0.719 20 0 FCADRL Cc1cc(S(=O)(=O)N(CC(=O)[O-])CC(C)C)ccc1-c1nn[nH]n1 ZINC001605751174 1288070317 /nfs/dbraw/zinc/07/03/17/1288070317.db2.gz HUSOTJWUPBNSMZ-UHFFFAOYSA-N -2 0 353.404 0.906 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)c2ncc(-c3nn[nH]n3)cc2C)c(C)o1 ZINC001605751111 1288070948 /nfs/dbraw/zinc/07/09/48/1288070948.db2.gz GONJWXKYABSIIT-UHFFFAOYSA-N -2 0 362.371 0.899 20 0 FCADRL CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001605757048 1288074023 /nfs/dbraw/zinc/07/40/23/1288074023.db2.gz IPOUCLUVXFWMQX-AEJSXWLSSA-N -2 0 366.436 0.845 20 0 FCADRL Cc1ccc(CC(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)cn1 ZINC001605838279 1288098449 /nfs/dbraw/zinc/09/84/49/1288098449.db2.gz BXVSBRFWQPEKSS-UHFFFAOYSA-N -2 0 366.341 0.604 20 0 FCADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])n1C ZINC001605865641 1288099795 /nfs/dbraw/zinc/09/97/95/1288099795.db2.gz IEXIEJPAYTZGLS-UHFFFAOYSA-N -2 0 368.415 0.700 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC001606042574 1288144820 /nfs/dbraw/zinc/14/48/20/1288144820.db2.gz OIOZVCPYDRJWQI-HNNXBMFYSA-N -2 0 356.400 0.579 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])nn2C)c1 ZINC001606042627 1288144962 /nfs/dbraw/zinc/14/49/62/1288144962.db2.gz RPQGZRFOYKBZIU-UHFFFAOYSA-N -2 0 368.371 0.327 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC001606042507 1288145140 /nfs/dbraw/zinc/14/51/40/1288145140.db2.gz LBLGJULLETUSSY-GFCCVEGCSA-N -2 0 358.416 0.872 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N1CCC(n2cccc2C(=O)[O-])CC1 ZINC001606105635 1288167358 /nfs/dbraw/zinc/16/73/58/1288167358.db2.gz MKCVLBQYVOZSPX-UHFFFAOYSA-N -2 0 359.404 0.475 20 0 FCADRL CN(CCC(=O)[O-])C(=O)C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001606104725 1288167716 /nfs/dbraw/zinc/16/77/16/1288167716.db2.gz IRUKTKFVAUDVDW-UHFFFAOYSA-N -2 0 352.318 0.342 20 0 FCADRL CN1C(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001606185362 1288203105 /nfs/dbraw/zinc/20/31/05/1288203105.db2.gz QUJZGAKFLZXGMW-SNVBAGLBSA-N -2 0 360.775 0.464 20 0 FCADRL CN1C(=O)COc2cc([N-]S(=O)(=O)c3cncc(C(=O)[O-])c3)ccc21 ZINC001606189303 1288204115 /nfs/dbraw/zinc/20/41/15/1288204115.db2.gz GFRRFKPESMAADT-UHFFFAOYSA-N -2 0 363.351 0.936 20 0 FCADRL CNC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001606261325 1288241152 /nfs/dbraw/zinc/24/11/52/1288241152.db2.gz LKMRUXNWPYXIEN-SNVBAGLBSA-N -2 0 353.356 0.008 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])c1cccs1 ZINC001606341175 1288264351 /nfs/dbraw/zinc/26/43/51/1288264351.db2.gz CMLBWGBCPXFKAG-VIFPVBQESA-N -2 0 359.385 0.670 20 0 FCADRL COC(=O)[C@@]1(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)CCOC1 ZINC001606354985 1288270036 /nfs/dbraw/zinc/27/00/36/1288270036.db2.gz ZMJRMYRBGCUYJR-LLVKDONJSA-N -2 0 353.736 0.242 20 0 FCADRL COC(=O)C1(NS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CCSCC1 ZINC001606354808 1288271021 /nfs/dbraw/zinc/27/10/21/1288271021.db2.gz VWWVKHGDCRZADZ-MNOVXSKESA-N -2 0 365.473 0.988 20 0 FCADRL COC(=O)[C@H]1CCN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)[C@@H](C(=O)[O-])C1 ZINC001606404674 1288290342 /nfs/dbraw/zinc/29/03/42/1288290342.db2.gz UMOUVFZHFUHMCH-WCQYABFASA-N -2 0 367.402 0.240 20 0 FCADRL Cn1c2cccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)o3)c2oc1=O ZINC001609474957 1289169189 /nfs/dbraw/zinc/16/91/89/1289169189.db2.gz CAISYJNTKLVJJW-UHFFFAOYSA-N -2 0 362.327 0.705 20 0 FCADRL COC(=O)C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)C(=O)[O-] ZINC001606476282 1288337029 /nfs/dbraw/zinc/33/70/29/1288337029.db2.gz DNFJLZWWTDJZSC-MRVPVSSYSA-N -2 0 365.747 0.333 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC001606579322 1288393365 /nfs/dbraw/zinc/39/33/65/1288393365.db2.gz LDNKZMWWUJMZBV-VIFPVBQESA-N -2 0 357.340 0.267 20 0 FCADRL COC(=O)c1cnccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001606630169 1288416115 /nfs/dbraw/zinc/41/61/15/1288416115.db2.gz YEEKSBZPVIAJQS-UHFFFAOYSA-N -2 0 366.351 0.554 20 0 FCADRL CO[C@H]1CCN(C(=O)c2nc[n-]c(=O)c2Br)[C@@H](C(=O)[O-])C1 ZINC001606756003 1288493494 /nfs/dbraw/zinc/49/34/94/1288493494.db2.gz ZFKQXXRZERICIV-NKWVEPMBSA-N -2 0 360.164 0.649 20 0 FCADRL COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001606776887 1288508337 /nfs/dbraw/zinc/50/83/37/1288508337.db2.gz BFKJFUGWLONOKD-MRVPVSSYSA-N -2 0 353.299 0.383 20 0 FCADRL COC[C@H](NS(=O)(=O)c1c([O-])cccc1OC(F)(F)F)C(=O)[O-] ZINC001606816369 1288530859 /nfs/dbraw/zinc/53/08/59/1288530859.db2.gz WRIUGTSMORSHKK-LURJTMIESA-N -2 0 359.278 0.669 20 0 FCADRL COCC1(C(=O)[O-])CCN(S(=O)(=O)c2ccsc2C(=O)[O-])CC1 ZINC001606834627 1288534187 /nfs/dbraw/zinc/53/41/87/1288534187.db2.gz UFBCTGWZTASWJS-UHFFFAOYSA-N -2 0 363.413 0.948 20 0 FCADRL COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2C)C1 ZINC001606834459 1288534774 /nfs/dbraw/zinc/53/47/74/1288534774.db2.gz QPPMLLZYWLUJIA-HNNXBMFYSA-N -2 0 357.384 0.805 20 0 FCADRL COCCC1(C(=O)[N-]S(=O)(=O)c2ccc(OC)cc2CC(=O)[O-])CC1 ZINC001606862769 1288542502 /nfs/dbraw/zinc/54/25/02/1288542502.db2.gz FRKQMXPEYSTLMF-UHFFFAOYSA-N -2 0 371.411 0.944 20 0 FCADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC001606943005 1288572091 /nfs/dbraw/zinc/57/20/91/1288572091.db2.gz XWOUKYBJKDOSKR-MFKMUULPSA-N -2 0 373.383 0.299 20 0 FCADRL O=S(=O)([N-]c1cnn(C[C@@H]2CCCO2)c1)c1ccc(-c2nnn[n-]2)o1 ZINC001607069696 1288641595 /nfs/dbraw/zinc/64/15/95/1288641595.db2.gz MRJGNPUZWPOGEA-JTQLQIEISA-N -2 0 365.375 0.636 20 0 FCADRL COc1cc(C(=O)[O-])cc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)c1OC ZINC001607087782 1288654867 /nfs/dbraw/zinc/65/48/67/1288654867.db2.gz RZXHUEHWYFZLNP-SECBINFHSA-N -2 0 368.342 0.425 20 0 FCADRL COc1cc(C(=O)[O-])ccc1CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001607110988 1288667758 /nfs/dbraw/zinc/66/77/58/1288667758.db2.gz VHLMLKPBWSDAPU-UHFFFAOYSA-N -2 0 371.353 0.137 20 0 FCADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC001607143128 1288672749 /nfs/dbraw/zinc/67/27/49/1288672749.db2.gz VNOYEYYVWWEYGI-UHFFFAOYSA-N -3 0 355.328 0.626 20 0 FCADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC1 ZINC001607276790 1288692244 /nfs/dbraw/zinc/69/22/44/1288692244.db2.gz ZIIGBFXCEIKNJZ-UHFFFAOYSA-N -2 0 356.356 0.323 20 0 FCADRL COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1 ZINC001607308551 1288698175 /nfs/dbraw/zinc/69/81/75/1288698175.db2.gz VFSDDHNYIFMWBZ-AWEZNQCLSA-N -2 0 371.353 0.364 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cn2)cn1 ZINC001607382874 1288703548 /nfs/dbraw/zinc/70/35/48/1288703548.db2.gz UYGRXIUEJAOPDX-UHFFFAOYSA-N -2 0 357.369 0.379 20 0 FCADRL CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nn2)c1 ZINC001607383600 1288703594 /nfs/dbraw/zinc/70/35/94/1288703594.db2.gz IJCSSNXHNPMCQY-UHFFFAOYSA-N -2 0 357.369 0.379 20 0 FCADRL Cc1c([C@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2C)C(=O)[O-])cnn1C ZINC001607519351 1288723173 /nfs/dbraw/zinc/72/31/73/1288723173.db2.gz HRTMXMKFUFCHCF-ZDUSSCGKSA-N -2 0 367.383 0.839 20 0 FCADRL Cc1cccc(S(=O)(=O)N[C@H](Cc2ncccn2)C(=O)[O-])c1C(=O)[O-] ZINC001607862034 1288741555 /nfs/dbraw/zinc/74/15/55/1288741555.db2.gz LJVJVWXMSKIQKT-SNVBAGLBSA-N -2 0 365.367 0.457 20 0 FCADRL Cc1ccccc1C[C@@H](C)NC(=O)CS(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001607880783 1288741940 /nfs/dbraw/zinc/74/19/40/1288741940.db2.gz XFXZKOJRLVQIIX-LLVKDONJSA-N -2 0 365.411 0.937 20 0 FCADRL Cc1ncsc1[C@H](NS(=O)(=O)c1scnc1C(=O)[O-])C(=O)[O-] ZINC001607993998 1288756614 /nfs/dbraw/zinc/75/66/14/1288756614.db2.gz HRULMXJPEUAFRM-YFKPBYRVSA-N -2 0 363.398 0.710 20 0 FCADRL Cc1nn(C)c(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)c1C(=O)[O-] ZINC001607999262 1288756833 /nfs/dbraw/zinc/75/68/33/1288756833.db2.gz MGSBCFBYKIOQEW-UHFFFAOYSA-N -2 0 353.360 0.446 20 0 FCADRL Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccccc2)cc1C(=O)[O-] ZINC001608121784 1288774778 /nfs/dbraw/zinc/77/47/78/1288774778.db2.gz CJPLWVZKCUGJRX-STQMWFEESA-N -2 0 368.367 0.188 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)/C=C\c2ccccc2F)CC1 ZINC001608287083 1288812957 /nfs/dbraw/zinc/81/29/57/1288812957.db2.gz BORTYDJQEKGGNK-WAYWQWQTSA-N -2 0 356.375 0.997 20 0 FCADRL O=C([O-])c1c(Cl)cccc1S(=O)(=O)[N-]C(=O)C[C@H]1COC(=O)C1 ZINC001608297846 1288814141 /nfs/dbraw/zinc/81/41/41/1288814141.db2.gz XGBPHJNHEZKWCC-SSDOTTSWSA-N -2 0 361.759 0.796 20 0 FCADRL O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001608357338 1288829464 /nfs/dbraw/zinc/82/94/64/1288829464.db2.gz ZLPNVPLNLOTJLK-DMWDQNTBSA-N -2 0 358.445 0.848 20 0 FCADRL O=C([O-])[C@H](Cc1ccc(F)cc1)OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001608373019 1288832115 /nfs/dbraw/zinc/83/21/15/1288832115.db2.gz DCKGLRMOUSFPQN-LBPRGKRZSA-N -2 0 360.301 0.449 20 0 FCADRL O=C([O-])C1CC2(C1)C[C@H](NC(=O)c1c[n-]n3c1nccc3=O)CCS2 ZINC001608414019 1288838793 /nfs/dbraw/zinc/83/87/93/1288838793.db2.gz OAXWIAXKXWKWKV-IAZHFHGHSA-N -2 0 362.411 0.881 20 0 FCADRL O=C([O-])c1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c[nH]1 ZINC001608484826 1288849509 /nfs/dbraw/zinc/84/95/09/1288849509.db2.gz JMMKZIGOCCHOML-UHFFFAOYSA-N -2 0 352.324 0.603 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC001608677130 1288863165 /nfs/dbraw/zinc/86/31/65/1288863165.db2.gz UPYWYKAZYKFMPG-HNNXBMFYSA-N -3 0 371.367 0.466 20 0 FCADRL O=C([O-])CCCO[N-]C(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC001608715697 1288868463 /nfs/dbraw/zinc/86/84/63/1288868463.db2.gz AXWASMUPYOKSHM-GFCCVEGCSA-N -2 0 364.354 0.933 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])s1 ZINC001608910809 1288878621 /nfs/dbraw/zinc/87/86/21/1288878621.db2.gz KWDFHKZGIFGUSV-VIFPVBQESA-N -2 0 362.429 0.664 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N[C@H](Cn2cc(Cl)cn2)C(=O)[O-])cc1 ZINC001608910723 1288878997 /nfs/dbraw/zinc/87/89/97/1288878997.db2.gz IILJNYIMQQNEKW-LLVKDONJSA-N -2 0 373.774 0.666 20 0 FCADRL O=C([O-])C(F)=C(NCCCc1ccccc1)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001609044501 1288886669 /nfs/dbraw/zinc/88/66/69/1288886669.db2.gz RBHISIQGAKAJEN-NSHDSACASA-N -2 0 365.386 0.417 20 0 FCADRL CC(=O)CCc1ccc(OCCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1 ZINC001609572941 1289234986 /nfs/dbraw/zinc/23/49/86/1289234986.db2.gz GJAAPWRIJBMYQG-GFCCVEGCSA-N -2 0 371.411 0.896 20 0 FCADRL O=C(OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001609576041 1289236818 /nfs/dbraw/zinc/23/68/18/1289236818.db2.gz WPSMIOXCAQMGCL-FXBDTBDDSA-N -2 0 369.341 0.273 20 0 FCADRL CC(=O)NCCN(C(=O)CCc1ccc(C(=O)[O-])cc1)[C@H](C)C(=O)[O-] ZINC001609621570 1289265726 /nfs/dbraw/zinc/26/57/26/1289265726.db2.gz PCRUEUGEPIQWCD-LLVKDONJSA-N -2 0 350.371 0.755 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(-n2cccn2)n1 ZINC001609638584 1289269817 /nfs/dbraw/zinc/26/98/17/1289269817.db2.gz IERGFCGJCSPDGY-VHSXEESVSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])N1CCc2ccccc2C1 ZINC001609635743 1289269845 /nfs/dbraw/zinc/26/98/45/1289269845.db2.gz FCFJBRZTQMCMHS-GFCCVEGCSA-N -2 0 354.428 0.744 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CCc1ccccc1C(N)=O ZINC001609638148 1289270342 /nfs/dbraw/zinc/27/03/42/1289270342.db2.gz BDYOWGRSSXATOH-NXEZZACHSA-N -2 0 356.400 0.273 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1nn(C)cc1Br ZINC001609639381 1289270717 /nfs/dbraw/zinc/27/07/17/1289270717.db2.gz WHTRPPWONYEREF-WDSKDSINSA-N -2 0 368.209 0.351 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1nn(C)cc1Br ZINC001609639378 1289270720 /nfs/dbraw/zinc/27/07/20/1289270720.db2.gz WHTRPPWONYEREF-NTSWFWBYSA-N -2 0 368.209 0.351 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc2nccnc2cc1F ZINC001609638918 1289270997 /nfs/dbraw/zinc/27/09/97/1289270997.db2.gz OGDFVNNATUCLDY-HTQZYQBOSA-N -2 0 355.347 0.938 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCCNC(=O)OC(C)(C)C ZINC001609642197 1289271275 /nfs/dbraw/zinc/27/12/75/1289271275.db2.gz IAOLFZILUUBRIR-SECBINFHSA-N -2 0 352.409 0.601 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc(Cl)nc(N2CCCC2)c1 ZINC001609642541 1289271422 /nfs/dbraw/zinc/27/14/22/1289271422.db2.gz WFPBAGDJVSEMAR-QMMMGPOBSA-N -2 0 361.807 0.868 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC001609642489 1289271501 /nfs/dbraw/zinc/27/15/01/1289271501.db2.gz TUAZQLRZXPZHPU-QMMMGPOBSA-N -2 0 364.383 0.882 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)COc1cccc(Br)c1 ZINC001609642209 1289271765 /nfs/dbraw/zinc/27/17/65/1289271765.db2.gz IIIAFDTWZXMXOD-SSDOTTSWSA-N -2 0 366.189 0.747 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc(Cl)nc(N2CCCC2)c1 ZINC001609642540 1289271770 /nfs/dbraw/zinc/27/17/70/1289271770.db2.gz WFPBAGDJVSEMAR-MRVPVSSYSA-N -2 0 361.807 0.868 20 0 FCADRL CC(C)(C)N1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1=O ZINC001609656932 1289274739 /nfs/dbraw/zinc/27/47/39/1289274739.db2.gz AFGMWVXQQMLMDY-NSHDSACASA-N -2 0 368.411 0.837 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001609679034 1289278951 /nfs/dbraw/zinc/27/89/51/1289278951.db2.gz WCXPFDDIEPOQCR-UHFFFAOYSA-N -2 0 365.308 0.666 20 0 FCADRL CC(C)N(CCC(=O)[N-]S(=O)(=O)CCC(=O)[O-])C(=O)OC(C)(C)C ZINC001609704959 1289283341 /nfs/dbraw/zinc/28/33/41/1289283341.db2.gz WEQQCMHXCOTJHG-UHFFFAOYSA-N -2 0 366.436 0.943 20 0 FCADRL C[C@@H](CC(=O)[O-])C1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC001609732922 1289287654 /nfs/dbraw/zinc/28/76/54/1289287654.db2.gz SJWGUQLSCWOQDF-JTQLQIEISA-N -2 0 359.404 0.479 20 0 FCADRL C[C@](O)(CNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C(=O)[O-] ZINC001609784127 1289297409 /nfs/dbraw/zinc/29/74/09/1289297409.db2.gz ANMAPSVAFKSIMK-INIZCTEOSA-N -2 0 351.359 0.942 20 0 FCADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)C1 ZINC001609841589 1289309850 /nfs/dbraw/zinc/30/98/50/1289309850.db2.gz XIKUNGNYWUXMCN-GHMZBOCLSA-N -2 0 364.354 0.658 20 0 FCADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCc2cccc(C(=O)[O-])c2)C1 ZINC001609839599 1289310056 /nfs/dbraw/zinc/31/00/56/1289310056.db2.gz LQZPDISRVKPEHM-RISCZKNCSA-N -2 0 362.382 0.613 20 0 FCADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)C1 ZINC001609841593 1289310072 /nfs/dbraw/zinc/31/00/72/1289310072.db2.gz XIKUNGNYWUXMCN-QWRGUYRKSA-N -2 0 364.354 0.658 20 0 FCADRL C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)C[C@@H]1C(=O)[O-] ZINC001609855520 1289313300 /nfs/dbraw/zinc/31/33/00/1289313300.db2.gz NDXBISYDRCDRSM-UPJWGTAASA-N -2 0 368.430 0.905 20 0 FCADRL CCCNC(=O)Nc1ccc(CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1 ZINC001609980683 1289336031 /nfs/dbraw/zinc/33/60/31/1289336031.db2.gz UYCLMHUDDWYSKP-SNVBAGLBSA-N -2 0 371.415 0.680 20 0 FCADRL CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001610028087 1289351620 /nfs/dbraw/zinc/35/16/20/1289351620.db2.gz DAFNKJSGBDVDMS-RYUDHWBXSA-N -2 0 357.384 0.552 20 0 FCADRL CCOCCOc1ccc(S(=O)(=O)[N-]c2nnc(CC(=O)[O-])[nH]2)cc1 ZINC001610036793 1289354583 /nfs/dbraw/zinc/35/45/83/1289354583.db2.gz IRQKHOFNPZBWDS-UHFFFAOYSA-N -2 0 370.387 0.648 20 0 FCADRL CCOCCOCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001610037151 1289355416 /nfs/dbraw/zinc/35/54/16/1289355416.db2.gz LLZMBYRQLLIPGZ-UHFFFAOYSA-N -2 0 365.791 0.896 20 0 FCADRL CCc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)s1 ZINC001610058698 1289361133 /nfs/dbraw/zinc/36/11/33/1289361133.db2.gz KEQVSLGOTXWRIO-UHFFFAOYSA-N -2 0 373.412 0.207 20 0 FCADRL CCc1nn(C)c(CC)c1CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001610072420 1289361924 /nfs/dbraw/zinc/36/19/24/1289361924.db2.gz DDRKOZHZUBXVKW-ZJUUUORDSA-N -2 0 359.448 0.643 20 0 FCADRL CCc1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001610073540 1289363889 /nfs/dbraw/zinc/36/38/89/1289363889.db2.gz AIABXZZZNVLRMI-UHFFFAOYSA-N -2 0 351.812 0.806 20 0 FCADRL CN(C)c1cc(C(=O)[O-])ccc1NC(=O)C(=O)[N-]O[C@H]1CCCCO1 ZINC001610104386 1289374391 /nfs/dbraw/zinc/37/43/91/1289374391.db2.gz IKOGKGXQWKSRRJ-ZDUSSCGKSA-N -2 0 351.359 0.964 20 0 FCADRL CN1C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cn3)cc2C1=O ZINC001610127942 1289382765 /nfs/dbraw/zinc/38/27/65/1289382765.db2.gz JAGHNBMUBPMVDP-UHFFFAOYSA-N -2 0 361.335 0.806 20 0 FCADRL CO[C@@H]1CCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)[C@@H](C(=O)[O-])C1 ZINC001610236074 1289432958 /nfs/dbraw/zinc/43/29/58/1289432958.db2.gz BYWWLTITXAVYKQ-BBBLOLIVSA-N -2 0 354.325 0.780 20 0 FCADRL COC[C@@]1(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CCOC1 ZINC001610247856 1289437706 /nfs/dbraw/zinc/43/77/06/1289437706.db2.gz JWJAAWWNJRADLL-HNNXBMFYSA-N -2 0 357.384 0.384 20 0 FCADRL COCCOCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001610260866 1289441704 /nfs/dbraw/zinc/44/17/04/1289441704.db2.gz BJBMGJZDTCOHOG-UHFFFAOYSA-N -2 0 365.791 0.896 20 0 FCADRL COc1cc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])ccc1C(=O)[O-] ZINC001610305808 1289456844 /nfs/dbraw/zinc/45/68/44/1289456844.db2.gz DYUZLUKJLRCTNL-PELKAZGASA-N -2 0 359.356 0.256 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@@H](CC2CC2)C(=O)[O-])c(CC(=O)[O-])c1 ZINC001610345465 1289465689 /nfs/dbraw/zinc/46/56/89/1289465689.db2.gz HNEFDKCCVXDSNW-LBPRGKRZSA-N -2 0 357.384 0.854 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nn2)cc1NC(C)=O ZINC001610346304 1289466473 /nfs/dbraw/zinc/46/64/73/1289466473.db2.gz FIBGNHVPULMXOJ-UHFFFAOYSA-N -2 0 366.355 0.943 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccco2)c(CC(=O)[O-])c1 ZINC001610346615 1289466740 /nfs/dbraw/zinc/46/67/40/1289466740.db2.gz ZZYYFVKCPCZRFD-UHFFFAOYSA-N -2 0 353.352 0.963 20 0 FCADRL CS(=O)(=O)Nc1cccc(F)c1CNC(=O)c1cc(C(=O)[O-])no1 ZINC001610376247 1289474106 /nfs/dbraw/zinc/47/41/06/1289474106.db2.gz IFULCZROWQCASD-UHFFFAOYSA-N -2 0 357.319 0.813 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)cnn1C ZINC001610407440 1289480820 /nfs/dbraw/zinc/48/08/20/1289480820.db2.gz BPTNHDHCKPNPAS-UHFFFAOYSA-N -2 0 355.347 0.613 20 0 FCADRL Cc1cc(C)n(-c2ccc(CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc2)n1 ZINC001610458350 1289489407 /nfs/dbraw/zinc/48/94/07/1289489407.db2.gz AGIXZOTYHAGNHK-LBPRGKRZSA-N -2 0 365.411 0.951 20 0 FCADRL Cc1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)[C@H]2C(=O)[O-])c1C(=O)[O-] ZINC001610525482 1289501538 /nfs/dbraw/zinc/50/15/38/1289501538.db2.gz YWBRJPMOXYKGCF-CWSCBRNRSA-N -2 0 357.384 0.944 20 0 FCADRL Cc1cnn(-c2ccncc2[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC001610541842 1289504759 /nfs/dbraw/zinc/50/47/59/1289504759.db2.gz MZOOIJIKEPIQFK-UHFFFAOYSA-N -2 0 362.371 0.658 20 0 FCADRL Cc1csc(C(=O)[O-])c1NC(=O)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001610544454 1289505269 /nfs/dbraw/zinc/50/52/69/1289505269.db2.gz OTSOXRIKPPBMAN-SECBINFHSA-N -2 0 366.355 0.369 20 0 FCADRL Cc1nc(CN([C@H](C)C(=O)[O-])S(=O)(=O)C[C@H](C)C(=O)[O-])cs1 ZINC001610554445 1289508579 /nfs/dbraw/zinc/50/85/79/1289508579.db2.gz BAKHBZNTEYQIKS-JGVFFNPUSA-N -2 0 350.418 0.777 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001610581799 1289517018 /nfs/dbraw/zinc/51/70/18/1289517018.db2.gz UIBRNSYKFMBZBA-MRVPVSSYSA-N -2 0 353.356 0.619 20 0 FCADRL Cc1oc(CNC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)cc1C(=O)[O-] ZINC001610583763 1289517596 /nfs/dbraw/zinc/51/75/96/1289517596.db2.gz UZADBMXRCLZWEE-UHFFFAOYSA-N -2 0 352.343 0.616 20 0 FCADRL Cn1ncc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1-n1cccc1 ZINC001610614809 1289529846 /nfs/dbraw/zinc/52/98/46/1289529846.db2.gz TVFWIZNGWVWRFW-UHFFFAOYSA-N -2 0 354.388 0.381 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)CCc2ccccc2F)CC1 ZINC001610659690 1289545065 /nfs/dbraw/zinc/54/50/65/1289545065.db2.gz NOIQIJYMXVKYFC-UHFFFAOYSA-N -2 0 358.391 0.916 20 0 FCADRL O=C([O-])c1ccccc1CCC(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC001610659857 1289545201 /nfs/dbraw/zinc/54/52/01/1289545201.db2.gz ZYWFZTUZZCULAA-UHFFFAOYSA-N -2 0 363.395 0.965 20 0 FCADRL O=C([O-])[C@H](CC1CC1)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001610666567 1289547217 /nfs/dbraw/zinc/54/72/17/1289547217.db2.gz WFCGGECMDPEGNT-NSHDSACASA-N -2 0 362.354 0.613 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)c2n[nH]c3c2CCCCC3)CC1 ZINC001610701186 1289560605 /nfs/dbraw/zinc/56/06/05/1289560605.db2.gz BTHIZLSHQBMQDI-UHFFFAOYSA-N -2 0 370.431 0.450 20 0 FCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)CC1 ZINC001610725184 1289567786 /nfs/dbraw/zinc/56/77/86/1289567786.db2.gz OCORYRGPFHWBOG-UHFFFAOYSA-N -2 0 361.759 0.781 20 0 FCADRL O=C([O-])C1(CS(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CCCC1 ZINC001610727320 1289569774 /nfs/dbraw/zinc/56/97/74/1289569774.db2.gz JDCTXNDCUPURCB-SNVBAGLBSA-N -2 0 358.420 0.665 20 0 FCADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3n[nH]nc3c2)C1 ZINC001610740730 1289573853 /nfs/dbraw/zinc/57/38/53/1289573853.db2.gz DTIZDBKUJFKLTQ-DTWKUNHWSA-N -2 0 352.372 0.654 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccccc2C(=O)[O-])C1 ZINC001610753512 1289578154 /nfs/dbraw/zinc/57/81/54/1289578154.db2.gz SFWXACDPINLXKU-HNNXBMFYSA-N -3 0 371.367 0.466 20 0 FCADRL O=C([O-])CCCOc1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001610770324 1289586859 /nfs/dbraw/zinc/58/68/59/1289586859.db2.gz JZSCUFOTWIIYDS-LLVKDONJSA-N -2 0 364.354 0.802 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@H](O)C1 ZINC001610775074 1289587878 /nfs/dbraw/zinc/58/78/78/1289587878.db2.gz HCTUMNYCDQXTBW-NSHDSACASA-N -2 0 356.400 0.500 20 0 FCADRL O=C([O-])CCN1CCN(S(=O)(=O)CC2(C(=O)[O-])CCCCC2)CC1 ZINC001610779703 1289588698 /nfs/dbraw/zinc/58/86/98/1289588698.db2.gz QIHDTXJXZACPKU-UHFFFAOYSA-N -2 0 362.448 0.444 20 0 FCADRL O=C([O-])CCNC(=O)C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC001610779690 1289588773 /nfs/dbraw/zinc/58/87/73/1289588773.db2.gz MCCQDSKPETUHJR-UHFFFAOYSA-N -2 0 363.370 0.379 20 0 FCADRL O=C([O-])CNC(=O)Cc1ccc(NC(=O)C(=O)[N-]OC2CCCC2)cc1 ZINC001610783638 1289591579 /nfs/dbraw/zinc/59/15/79/1289591579.db2.gz ILAWTIYFGYIWDH-UHFFFAOYSA-N -2 0 363.370 0.359 20 0 FCADRL O=C([O-])Cc1ccc(CCNS(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC001610791809 1289594528 /nfs/dbraw/zinc/59/45/28/1289594528.db2.gz QOWZHRTXDVWGCT-UHFFFAOYSA-N -2 0 364.379 0.928 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)COc1ccc(Br)cc1 ZINC001610789389 1289594741 /nfs/dbraw/zinc/59/47/41/1289594741.db2.gz MVVSUZFJNWIGKK-UHFFFAOYSA-N -2 0 352.162 0.359 20 0 FCADRL O=C([O-])Cc1nnc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)[nH]1 ZINC001610798320 1289595792 /nfs/dbraw/zinc/59/57/92/1289595792.db2.gz DNKXGAGLOJMNPS-UHFFFAOYSA-N -2 0 350.356 0.752 20 0 FCADRL O=C([O-])Cc1ccccc1CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001610797687 1289596280 /nfs/dbraw/zinc/59/62/80/1289596280.db2.gz ZRKUQLJSGRDUQI-UHFFFAOYSA-N -2 0 356.381 0.947 20 0 FCADRL O=C([O-])c1ccccc1CS(=O)(=O)N[C@@H](C[C@H]1CCOC1)C(=O)[O-] ZINC001610854214 1289607015 /nfs/dbraw/zinc/60/70/15/1289607015.db2.gz SJOZZSJNQLEKFC-MFKMUULPSA-N -2 0 357.384 0.684 20 0 FCADRL O=C([O-])c1cnn([C@@H]2CCCN(S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)c1 ZINC001610865341 1289612618 /nfs/dbraw/zinc/61/26/18/1289612618.db2.gz JQCLOLOHROKENU-SNVBAGLBSA-N -2 0 369.355 0.898 20 0 FCADRL O=C(NCCCC[P@@](=O)([O-])O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148927061 849623509 /nfs/dbraw/zinc/62/35/09/849623509.db2.gz BOKFJIONQMEXNU-UHFFFAOYSA-N -2 0 353.289 0.327 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1ncn2cc(Br)ccc12 ZINC001157261743 849957962 /nfs/dbraw/zinc/95/79/62/849957962.db2.gz DIPTZEKRCJLOIJ-UHFFFAOYSA-N -2 0 364.092 0.936 20 0 FCADRL COc1ncc(Nc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])cn1 ZINC001174035889 850737763 /nfs/dbraw/zinc/73/77/63/850737763.db2.gz UOYAZECOHDUEJL-UHFFFAOYSA-N -2 0 361.357 0.722 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])[C@@H]1CCCN1C(=O)Oc1ccccc1 ZINC001180340956 851026562 /nfs/dbraw/zinc/02/65/62/851026562.db2.gz LXEHFLLFELWLEI-LBPRGKRZSA-N -2 0 358.287 0.875 20 0 FCADRL CC(=O)N[C@H](Cc1c(F)cccc1F)C(=O)NCCOP(=O)([O-])[O-] ZINC001181319670 851102337 /nfs/dbraw/zinc/10/23/37/851102337.db2.gz TXZZLWRZEANVEM-GFCCVEGCSA-N -2 0 366.257 0.238 20 0 FCADRL CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)NCCOP(=O)([O-])[O-])OC1 ZINC001183047363 851223097 /nfs/dbraw/zinc/22/30/97/851223097.db2.gz NLGAECUVGZCWPS-ZJUUUORDSA-N -2 0 368.323 0.284 20 0 FCADRL O=C(CNC(=O)c1nc(Cl)c2ccccc2c1[O-])NCc1nnn[n-]1 ZINC001183426266 851247109 /nfs/dbraw/zinc/24/71/09/851247109.db2.gz OCGHCCGDSUWJOW-UHFFFAOYSA-N -2 0 361.749 0.153 20 0 FCADRL CC(C)(C)OC(=O)N[C@@H](CC(=O)NCCOP(=O)([O-])[O-])C1CC1 ZINC001183681048 851263779 /nfs/dbraw/zinc/26/37/79/851263779.db2.gz AROFIMCWTRUBHZ-JTQLQIEISA-N -2 0 352.324 0.905 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C(N)=O)nn1C ZINC001184663165 851317585 /nfs/dbraw/zinc/31/75/85/851317585.db2.gz GVMKNSGPWMKZPK-UHFFFAOYSA-N -2 0 352.372 0.635 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cc(C)nc3ncnn32)cc1C(=O)[O-] ZINC001185272039 851348379 /nfs/dbraw/zinc/34/83/79/851348379.db2.gz TWCLSLWSMLSQIX-UHFFFAOYSA-N -2 0 363.355 0.940 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(N)=O)cc1C(=O)[O-] ZINC001185271486 851348446 /nfs/dbraw/zinc/34/84/46/851348446.db2.gz PICZQJBDYJKOTB-UHFFFAOYSA-N -2 0 354.344 0.027 20 0 FCADRL COC(=O)c1ncc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cn1 ZINC001185269911 851348650 /nfs/dbraw/zinc/34/86/50/851348650.db2.gz SNDQZLWPIFSKIT-UHFFFAOYSA-N -2 0 367.339 0.771 20 0 FCADRL COC(=O)c1ncc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC001186144414 851415233 /nfs/dbraw/zinc/41/52/33/851415233.db2.gz RSMABOQRHMWJRG-UHFFFAOYSA-N -2 0 355.303 0.901 20 0 FCADRL CNC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186151481 851415396 /nfs/dbraw/zinc/41/53/96/851415396.db2.gz XRHJMOGPQCJVKE-UHFFFAOYSA-N -2 0 354.319 0.474 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)NCCOP(=O)([O-])[O-] ZINC001188004279 851636913 /nfs/dbraw/zinc/63/69/13/851636913.db2.gz KGEDTPQICPPOCS-UHFFFAOYSA-N -3 0 352.305 0.287 20 0 FCADRL Cc1nn(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1C(N)=O ZINC001188272467 851664354 /nfs/dbraw/zinc/66/43/54/851664354.db2.gz JCFIYKBALXFZDR-UHFFFAOYSA-N -2 0 372.790 0.980 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1C(N)=O ZINC001188276566 851665031 /nfs/dbraw/zinc/66/50/31/851665031.db2.gz HFJDZRLEWRJZKW-UHFFFAOYSA-N -2 0 358.763 0.671 20 0 FCADRL COC(=O)c1cncc(NC(=O)c2ccccc2OP(=O)([O-])[O-])n1 ZINC001189860442 851832185 /nfs/dbraw/zinc/83/21/85/851832185.db2.gz HLBMKHYNHKULFZ-UHFFFAOYSA-N -2 0 353.227 0.987 20 0 FCADRL NS(=O)(=O)c1cncc(NC(=O)c2ccccc2OP(=O)([O-])[O-])c1 ZINC001189870958 851833087 /nfs/dbraw/zinc/83/30/87/851833087.db2.gz JKTVEXPCEFBZSM-UHFFFAOYSA-N -2 0 373.283 0.453 20 0 FCADRL O=C(N[C@@H]1COCCC12OCCO2)c1ccccc1OP(=O)([O-])[O-] ZINC001189899962 851838516 /nfs/dbraw/zinc/83/85/16/851838516.db2.gz LEXAOSPKCFTJDQ-GFCCVEGCSA-N -2 0 359.271 0.420 20 0 FCADRL Cn1c(=O)[nH]c(=O)c(N=O)c1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189900100 851838614 /nfs/dbraw/zinc/83/86/14/851838614.db2.gz PVJNSYRQENOULP-UHFFFAOYSA-N -2 0 370.214 0.608 20 0 FCADRL COc1ccnc(C(=N)NC(=O)c2ccccc2OP(=O)([O-])[O-])n1 ZINC001189900210 851839053 /nfs/dbraw/zinc/83/90/53/851839053.db2.gz VJZDTAYLDVCJTN-UHFFFAOYSA-N -2 0 352.243 0.712 20 0 FCADRL CCOC(=O)c1nc[nH]c1CNC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189899489 851839233 /nfs/dbraw/zinc/83/92/33/851839233.db2.gz COKLXHYDHOVHHO-UHFFFAOYSA-N -2 0 369.270 0.988 20 0 FCADRL O=C([O-])c1cc(C(=O)N2C[C@H](CO)C[C@H](F)C2)cc(S(=O)(=O)[O-])c1 ZINC001189915842 851842892 /nfs/dbraw/zinc/84/28/92/851842892.db2.gz XXUXQVFPNLKTIG-KCJUWKMLSA-N -2 0 361.347 0.424 20 0 FCADRL O=C([O-])c1cc(C(=O)N2CCNCC(F)(F)C2)cc(S(=O)(=O)[O-])c1 ZINC001189923385 851842948 /nfs/dbraw/zinc/84/29/48/851842948.db2.gz JTQNSUFGBONBNA-UHFFFAOYSA-N -2 0 364.326 0.312 20 0 FCADRL C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189922689 851843179 /nfs/dbraw/zinc/84/31/79/851843179.db2.gz ARGLNSYJJXMRRG-VHSXEESVSA-N -2 0 356.400 0.796 20 0 FCADRL CCOC(=O)[C@H](C)CNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189941424 851847111 /nfs/dbraw/zinc/84/71/11/851847111.db2.gz KMIMFKZUELSQNI-MRVPVSSYSA-N -2 0 359.356 0.561 20 0 FCADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCOP(=O)([O-])[O-] ZINC001190592359 851926541 /nfs/dbraw/zinc/92/65/41/851926541.db2.gz DSRWUJGJWFVVDL-UHFFFAOYSA-N -2 0 373.707 0.514 20 0 FCADRL NC(=O)[C@H]1CCSC12CN(C(=O)c1ccccc1OP(=O)([O-])[O-])C2 ZINC001278366063 862306298 /nfs/dbraw/zinc/30/62/98/862306298.db2.gz HCGLFXKPVZVNNZ-SNVBAGLBSA-N -2 0 372.339 0.591 20 0 FCADRL NC(=O)C[C@@H]1C[C@@H]2CN(C(=O)c3ccccc3OP(=O)([O-])[O-])C[C@@H]2O1 ZINC001278366335 862306354 /nfs/dbraw/zinc/30/63/54/862306354.db2.gz LXOFVFVWMPDTIA-NRUUGDAUSA-N -2 0 370.298 0.263 20 0 FCADRL COC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ncc[nH]2)cc1 ZINC001190731718 851953456 /nfs/dbraw/zinc/95/34/56/851953456.db2.gz SZTFLXSZVLPRJZ-UHFFFAOYSA-N -2 0 360.373 0.255 20 0 FCADRL Nc1c2c(=O)nccc-2[n-]n1C(=O)c1nc(Br)ccc1[O-] ZINC001191748600 852131718 /nfs/dbraw/zinc/13/17/18/852131718.db2.gz FWEMPUGJCNPAPG-UHFFFAOYSA-N -2 0 350.132 0.810 20 0 FCADRL Cc1noc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1C(N)=O ZINC001192106719 852183195 /nfs/dbraw/zinc/18/31/95/852183195.db2.gz OUCAUWWFZFBJEJ-UHFFFAOYSA-N -2 0 353.356 0.900 20 0 FCADRL COC(=O)c1ccc([O-])c(C(=O)NC(=N)SCCS(=O)(=O)[O-])c1 ZINC001192396915 852229665 /nfs/dbraw/zinc/22/96/65/852229665.db2.gz PZKGDZHJRYHMGZ-UHFFFAOYSA-N -2 0 362.385 0.464 20 0 FCADRL CCOc1ccc(S(=O)(=O)Nc2c([O-])nc[nH]c2=O)cc1C(=O)[O-] ZINC001192614032 852264009 /nfs/dbraw/zinc/26/40/09/852264009.db2.gz BMIRXJFMXKMLNK-UHFFFAOYSA-N -2 0 355.328 0.786 20 0 FCADRL CCOc1ccc(S(=O)(=O)N[C@H]2SC(=O)[N-]C2=O)cc1C(=O)[O-] ZINC001192656131 852270581 /nfs/dbraw/zinc/27/05/81/852270581.db2.gz GHHJNWQVVJXCOV-JTQLQIEISA-N -2 0 360.369 0.371 20 0 FCADRL CCOc1ccc(S(=O)(=O)NCC(=O)CCC(=O)[O-])cc1C(=O)[O-] ZINC001192670002 852272945 /nfs/dbraw/zinc/27/29/45/852272945.db2.gz NUQZXMGVNQEFHY-UHFFFAOYSA-N -2 0 359.356 0.496 20 0 FCADRL NC(=O)c1cccnc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192686599 852277211 /nfs/dbraw/zinc/27/72/11/852277211.db2.gz VQLPYOVAZXUGFU-UHFFFAOYSA-N -2 0 351.340 0.445 20 0 FCADRL CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)NCCOP(=O)([O-])[O-] ZINC001192771810 852290216 /nfs/dbraw/zinc/29/02/16/852290216.db2.gz KEFBZGDKBZPWAZ-GFCCVEGCSA-N -2 0 360.303 0.569 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@H]2SC(=O)[N-]C2=O)c(Cl)cc1F ZINC001194021318 852524837 /nfs/dbraw/zinc/52/48/37/852524837.db2.gz DQHSBJWJBNFAFA-QMMMGPOBSA-N -2 0 368.751 0.765 20 0 FCADRL COc1nc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc(=O)[n-]1 ZINC001195195043 852722219 /nfs/dbraw/zinc/72/22/19/852722219.db2.gz OXFVQDBHXFRSGD-UHFFFAOYSA-N -2 0 361.282 0.968 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)[N-]C3=O)cn1 ZINC001195724301 852817424 /nfs/dbraw/zinc/81/74/24/852817424.db2.gz FYPTUJXNLYDSMX-UHFFFAOYSA-N -2 0 369.380 0.323 20 0 FCADRL O=C1[N-]S(=O)(=O)c2cc([N-]S(=O)(=O)c3ccc(Cl)cn3)ccc21 ZINC001196245261 852925041 /nfs/dbraw/zinc/92/50/41/852925041.db2.gz OFPPYIIPHIWIGI-UHFFFAOYSA-N -2 0 373.799 0.968 20 0 FCADRL COC(=O)CCCCS(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1[O-] ZINC001196958612 853039603 /nfs/dbraw/zinc/03/96/03/853039603.db2.gz UIMBHXNSEZSKCU-UHFFFAOYSA-N -2 0 365.429 0.881 20 0 FCADRL COC(=O)/C=C/c1ccc(COC(=O)[C@H](O)COP(=O)([O-])[O-])cc1 ZINC001223032680 856890855 /nfs/dbraw/zinc/89/08/55/856890855.db2.gz MEABHHCAPGSIBX-NNNHXZLVSA-N -2 0 360.255 0.386 20 0 FCADRL COC(=O)c1cccc([C@H](C)OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001223798298 856943414 /nfs/dbraw/zinc/94/34/14/856943414.db2.gz SGJGEKNPKCXEAQ-QWRKXWFKSA-N -2 0 354.311 0.614 20 0 FCADRL COC(=O)c1cccc([C@H](C)OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001223798297 856944213 /nfs/dbraw/zinc/94/42/13/856944213.db2.gz SGJGEKNPKCXEAQ-LJUAHTATSA-N -2 0 354.311 0.614 20 0 FCADRL CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001224436555 856983731 /nfs/dbraw/zinc/98/37/31/856983731.db2.gz NPSSBQSCHRZEBB-NXEZZACHSA-N -2 0 369.307 0.399 20 0 FCADRL CC(C)[C@@H](COC(=O)[C@H](O)COP(=O)([O-])[O-])NC(=O)OC(C)(C)C ZINC001225190333 857028760 /nfs/dbraw/zinc/02/87/60/857028760.db2.gz BSLPFWJVJMNMJD-NXEZZACHSA-N -2 0 371.323 0.549 20 0 FCADRL CCc1cc(C(=O)OC)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225419390 857040702 /nfs/dbraw/zinc/04/07/02/857040702.db2.gz WKBWYXVGHSSFBJ-GXFFZTMASA-N -2 0 354.311 0.477 20 0 FCADRL COc1cccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1Br ZINC001225766231 857058997 /nfs/dbraw/zinc/05/89/97/857058997.db2.gz XTUKITJEYJGANV-ZCFIWIBFSA-N -2 0 371.076 0.833 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1c(F)c(F)c([O-])c(F)c1F)[C@H](O)C(=O)[O-] ZINC001225886001 857070423 /nfs/dbraw/zinc/07/04/23/857070423.db2.gz RDULNFVMPFWBEL-KLVSRLEVSA-N -3 0 356.180 0.390 20 0 FCADRL CC(C)COC(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1 ZINC001226083739 857084878 /nfs/dbraw/zinc/08/48/78/857084878.db2.gz FAZUYYIHWIFUDP-GFCCVEGCSA-N -2 0 362.271 0.875 20 0 FCADRL Cc1cc(C(F)(F)F)nc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001226175746 857087907 /nfs/dbraw/zinc/08/79/07/857087907.db2.gz ZRHMWJMEKKFCLO-SVGQVSJJSA-N -2 0 352.221 0.246 20 0 FCADRL COC(=O)c1cc(Cl)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001226311282 857097739 /nfs/dbraw/zinc/09/77/39/857097739.db2.gz OUXDOSHUUSXPSZ-KWQFWETISA-N -2 0 360.702 0.568 20 0 FCADRL Cc1cc(=O)oc2cc(O)cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c12 ZINC001226487432 857107009 /nfs/dbraw/zinc/10/70/09/857107009.db2.gz XALCPBKLZDKTSR-MRVPVSSYSA-N -2 0 360.211 0.183 20 0 FCADRL CC(=O)Nc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(Cl)c1 ZINC001226880093 857128715 /nfs/dbraw/zinc/12/87/15/857128715.db2.gz LZSTWLIJCPXSEV-PRHODGIISA-N -2 0 359.718 0.740 20 0 FCADRL O=c1nc2ccccc2c(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1 ZINC001226976972 857135759 /nfs/dbraw/zinc/13/57/59/857135759.db2.gz JJQFJCJGEJCAAS-LLVKDONJSA-N -2 0 369.399 0.303 20 0 FCADRL COC(=O)c1ccc(Cl)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1 ZINC001227157583 857146963 /nfs/dbraw/zinc/14/69/63/857146963.db2.gz YOQJPSPHQANOGK-MRVPVSSYSA-N -2 0 354.635 0.502 20 0 FCADRL Cc1ccc2nc(=O)[n-]c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2c1 ZINC001227346391 857155880 /nfs/dbraw/zinc/15/58/80/857155880.db2.gz IVDKDMJIMYLGBQ-KWQFWETISA-N -3 0 350.283 0.086 20 0 FCADRL COC(=O)c1cc(Br)c([O-])cc1OC(=O)[C@@H](O)CC(=O)[O-] ZINC001227359745 857156771 /nfs/dbraw/zinc/15/67/71/857156771.db2.gz NXWPPQZAGKIAIT-QMMMGPOBSA-N -2 0 363.116 0.682 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(=O)cc(C(F)(F)F)[n-]1)[C@H](O)C(=O)[O-] ZINC001227584432 857166027 /nfs/dbraw/zinc/16/60/27/857166027.db2.gz RTPTWXXRBSLFOL-ANLVUFKYSA-N -3 0 353.205 0.248 20 0 FCADRL COC(=O)Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(C)c1 ZINC001227729874 857172679 /nfs/dbraw/zinc/17/26/79/857172679.db2.gz UUMFCZFSWYCSRF-YGRLFVJLSA-N -2 0 354.311 0.152 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1nccc2cc(Cl)ncc21)[C@@H](O)C(=O)[O-] ZINC001227855611 857180655 /nfs/dbraw/zinc/18/06/55/857180655.db2.gz QVMVFBMIWVTGOG-WRWORJQWSA-N -2 0 354.702 0.725 20 0 FCADRL Cc1ccnc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1Br ZINC001227903920 857183690 /nfs/dbraw/zinc/18/36/90/857183690.db2.gz HZNAMUFIDGTGIH-MUWHJKNJSA-N -2 0 362.132 0.594 20 0 FCADRL CCOC(=O)COc1ccccc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001228350471 857205562 /nfs/dbraw/zinc/20/55/62/857205562.db2.gz XAXKAPUWHIAKBE-SECBINFHSA-N -2 0 364.243 0.004 20 0 FCADRL Cc1nc2c(c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1)CSCC2 ZINC001228824798 857231100 /nfs/dbraw/zinc/23/11/00/857231100.db2.gz STUYJCCLWLUEJO-CPCISQLKSA-N -2 0 356.356 0.016 20 0 FCADRL Cc1cc(=O)oc2ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc12 ZINC001229196684 857257737 /nfs/dbraw/zinc/25/77/37/857257737.db2.gz XYVGZUYMLGKKFQ-HZMBPMFUSA-N -2 0 350.279 0.543 20 0 FCADRL CC(=O)Nc1cc(Cl)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001229415392 857268978 /nfs/dbraw/zinc/26/89/78/857268978.db2.gz ISWLTTSKOCFNOA-QPUJVOFHSA-N -2 0 359.718 0.740 20 0 FCADRL CC(=O)Nc1cc(Cl)ccc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001229415627 857269077 /nfs/dbraw/zinc/26/90/77/857269077.db2.gz KRYIXOVDKPLYPB-SECBINFHSA-N -2 0 353.651 0.674 20 0 FCADRL CCC(=O)c1ccc(OC)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001229447959 857270963 /nfs/dbraw/zinc/27/09/63/857270963.db2.gz YGJFVQWPMWPXCM-QMTHXVAHSA-N -2 0 354.311 0.730 20 0 FCADRL COC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(Cl)c1 ZINC001229751329 857285288 /nfs/dbraw/zinc/28/52/88/857285288.db2.gz OPPFORJIDMYRKY-RDDDGLTNSA-N -2 0 360.702 0.568 20 0 FCADRL COC(=O)c1c(Cl)cccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001229843390 857289468 /nfs/dbraw/zinc/28/94/68/857289468.db2.gz VYLDECJREVSQLW-KSBSHMNSSA-N -2 0 360.702 0.568 20 0 FCADRL CC(C)OCCOc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-] ZINC001230145641 857307625 /nfs/dbraw/zinc/30/76/25/857307625.db2.gz BIBZNJQPQKXOKE-UHFFFAOYSA-N -2 0 356.374 0.689 20 0 FCADRL CCOC[C@@H](C)Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-] ZINC001230147515 857308366 /nfs/dbraw/zinc/30/83/66/857308366.db2.gz XMQZMGWQTOGZLK-SSDOTTSWSA-N -2 0 356.374 0.689 20 0 FCADRL CCc1c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cccc1C(=O)OC ZINC001230367193 857329691 /nfs/dbraw/zinc/32/96/91/857329691.db2.gz DWICZWJELVPXGM-GXFFZTMASA-N -2 0 354.311 0.477 20 0 FCADRL CCc1c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cccc1C(=O)OC ZINC001230367192 857330091 /nfs/dbraw/zinc/33/00/91/857330091.db2.gz DWICZWJELVPXGM-GWCFXTLKSA-N -2 0 354.311 0.477 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ncnc2cccc(Cl)c21)[C@H](O)C(=O)[O-] ZINC001230760208 857346806 /nfs/dbraw/zinc/34/68/06/857346806.db2.gz XRIPYHPHYBKYRX-KGFZYKRKSA-N -2 0 354.702 0.725 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(=O)oc2ccc(Cl)cc12)[C@@H](O)C(=O)[O-] ZINC001231174412 857356500 /nfs/dbraw/zinc/35/65/00/857356500.db2.gz AMAFMTBGHQNFBC-AMIZOPFISA-N -2 0 370.697 0.888 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc(=O)oc2ccc(Cl)cc12)[C@H](O)C(=O)[O-] ZINC001231174420 857356520 /nfs/dbraw/zinc/35/65/20/857356520.db2.gz AMAFMTBGHQNFBC-SDBXPKJASA-N -2 0 370.697 0.888 20 0 FCADRL CCOC(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(Cl)c1 ZINC001233585029 857387440 /nfs/dbraw/zinc/38/74/40/857387440.db2.gz RXNAPTWVXWZQON-SECBINFHSA-N -2 0 368.662 0.892 20 0 FCADRL CC(=O)N1CCc2cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccc21 ZINC001233645192 857388592 /nfs/dbraw/zinc/38/85/92/857388592.db2.gz GTLLGBXVRXJRFY-BXUZGUMPSA-N -2 0 351.311 0.037 20 0 FCADRL COC(=O)c1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc1Cl ZINC001233971941 857393813 /nfs/dbraw/zinc/39/38/13/857393813.db2.gz IKXLXSNRYKMJIS-KCJUWKMLSA-N -2 0 360.702 0.568 20 0 FCADRL CCOC(=O)c1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])n(C(C)C)n1 ZINC001234117927 857395989 /nfs/dbraw/zinc/39/59/89/857395989.db2.gz JGMCEADLEAURBI-SECBINFHSA-N -2 0 366.263 0.016 20 0 FCADRL COC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(F)c1F ZINC001234401270 857403697 /nfs/dbraw/zinc/40/36/97/857403697.db2.gz ADUKEBGLCZLKSW-KBUNVGBDSA-N -2 0 362.237 0.193 20 0 FCADRL O=C(Oc1ccc2[n-]c(=S)sc2c1)[C@H](O)COP(=O)([O-])[O-] ZINC001234425370 857405240 /nfs/dbraw/zinc/40/52/40/857405240.db2.gz SQYSBEXFWIAJTD-SSDOTTSWSA-N -3 0 351.298 0.961 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1nnc(-c2ccccc2F)o1)[C@H](O)C(=O)[O-] ZINC001234662350 857411226 /nfs/dbraw/zinc/41/12/26/857411226.db2.gz JPUSPIHOXVWJTO-XCBNKYQSSA-N -2 0 354.246 0.318 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1nnc(-c2ccccc2F)o1)[C@@H](O)C(=O)[O-] ZINC001234662345 857411477 /nfs/dbraw/zinc/41/14/77/857411477.db2.gz JPUSPIHOXVWJTO-GMSGAONNSA-N -2 0 354.246 0.318 20 0 FCADRL COc1cc(O)cc(C(C)=O)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234789091 857412407 /nfs/dbraw/zinc/41/24/07/857412407.db2.gz FLOMOANVUURPDI-SKDRFNHKSA-N -2 0 356.283 0.045 20 0 FCADRL COC(=O)c1c(F)ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1F ZINC001234676112 857412426 /nfs/dbraw/zinc/41/24/26/857412426.db2.gz ITFFFVKKLGYAPQ-GCXOYZPQSA-N -2 0 362.237 0.193 20 0 FCADRL COc1cc2c(ccnc2OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1F ZINC001234867834 857413845 /nfs/dbraw/zinc/41/38/45/857413845.db2.gz PSPBSBVFHTXYJE-SNVBAGLBSA-N -2 0 361.218 0.758 20 0 FCADRL COc1cc(OC)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1Cl ZINC001234944029 857415860 /nfs/dbraw/zinc/41/58/60/857415860.db2.gz VTHRRUXWGQAXQD-PWCHPLFNSA-N -2 0 362.718 0.799 20 0 FCADRL CS(=O)(=O)CCn1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1=O ZINC001242163399 857542629 /nfs/dbraw/zinc/54/26/29/857542629.db2.gz XANVHAPXZFFQAR-UHFFFAOYSA-N -2 0 365.363 0.956 20 0 FCADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001260111548 858333586 /nfs/dbraw/zinc/33/35/86/858333586.db2.gz JDCQBMZYBLMNQX-UHFFFAOYSA-N -2 0 370.412 0.270 20 0 FCADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n(C)n1 ZINC001260209668 858354175 /nfs/dbraw/zinc/35/41/75/858354175.db2.gz QGNLMXRORGXZHZ-UHFFFAOYSA-N -2 0 357.319 0.845 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ncnc3c2ncn3CCO)cc1 ZINC001260221686 858356824 /nfs/dbraw/zinc/35/68/24/858356824.db2.gz OBYDAQCIZONOIE-UHFFFAOYSA-N -2 0 363.355 0.318 20 0 FCADRL COc1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)nc(OC)n1 ZINC001260392815 858365280 /nfs/dbraw/zinc/36/52/80/858365280.db2.gz RCOYHDMBEBQGRJ-UHFFFAOYSA-N -2 0 355.328 0.698 20 0 FCADRL COc1ncnc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1OC ZINC001260393813 858366478 /nfs/dbraw/zinc/36/64/78/858366478.db2.gz WREPXQMYWHWYEB-UHFFFAOYSA-N -2 0 355.328 0.698 20 0 FCADRL CCc1c([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c(C(N)=O)nn1C ZINC001260393925 858366592 /nfs/dbraw/zinc/36/65/92/858366592.db2.gz JCIBJGKORPIOIG-UHFFFAOYSA-N -2 0 368.371 0.286 20 0 FCADRL COCc1noc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1 ZINC001329926005 872368723 /nfs/dbraw/zinc/36/87/23/872368723.db2.gz PUVBRBPNRCZPHO-XCBNKYQSSA-N -2 0 366.296 0.312 20 0 FCADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]C(=O)CCCC(=O)[O-])cn1 ZINC001331882852 873289380 /nfs/dbraw/zinc/28/93/80/873289380.db2.gz HFKVHUGZIVITIJ-UHFFFAOYSA-N -2 0 367.383 0.941 20 0 FCADRL CNC(=O)C[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000322609597 970909180 /nfs/dbraw/zinc/90/91/80/970909180.db2.gz KKWVFYGVZRIIOO-RXMQYKEDSA-N -2 0 369.193 0.543 20 0 FCADRL O=C([O-])CCC1CCN(C(=O)Nc2n[nH]nc2C(=O)NC2CC2)CC1 ZINC001601977926 971103467 /nfs/dbraw/zinc/10/34/67/971103467.db2.gz LOOBEZMPTQBKHU-UHFFFAOYSA-N -2 0 350.379 0.806 20 0 FCADRL C[C@@H]1Oc2ccc([N-]S(=O)(=O)c3n[nH]cc3C(=O)[O-])cc2NC1=O ZINC000324646336 971142951 /nfs/dbraw/zinc/14/29/51/971142951.db2.gz WBJYWEWFJORAOM-LURJTMIESA-N -2 0 352.328 0.628 20 0 FCADRL CNS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000324920959 971169956 /nfs/dbraw/zinc/16/99/56/971169956.db2.gz URYXUEULTNJNOQ-UHFFFAOYSA-N -2 0 373.412 0.432 20 0 FCADRL C[C@H](C(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC001602806696 971591335 /nfs/dbraw/zinc/59/13/35/971591335.db2.gz STPZVQCJNAFNPN-VIFPVBQESA-N -2 0 350.356 0.937 20 0 FCADRL O=C(N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nc2)C1)c1ncccc1O ZINC001570957501 949895910 /nfs/dbraw/zinc/89/59/10/949895910.db2.gz VFKCPBSTCBNJNX-JTQLQIEISA-N -2 0 352.358 0.371 20 0 FCADRL O=C([O-])C1(CNC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CCOCC1 ZINC001594742585 953369662 /nfs/dbraw/zinc/36/96/62/953369662.db2.gz QXODRZGRFXCDEZ-JTQLQIEISA-N -2 0 353.379 0.281 20 0 FCADRL CC[C@@H](NS(=O)(=O)c1cnn2cc(Br)cnc12)C(=O)[O-] ZINC001593606963 953436615 /nfs/dbraw/zinc/43/66/15/953436615.db2.gz DDHXBEJSCIMPHC-SSDOTTSWSA-N -2 0 363.193 0.633 20 0 FCADRL O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC001594961826 955020061 /nfs/dbraw/zinc/02/00/61/955020061.db2.gz MULMWNYMNOIUTP-VIFPVBQESA-N -2 0 356.381 0.440 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC001594659142 956516942 /nfs/dbraw/zinc/51/69/42/956516942.db2.gz BQXGHZZVJWCZBU-UHFFFAOYSA-N -2 0 350.352 0.668 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC001594659166 956517485 /nfs/dbraw/zinc/51/74/85/956517485.db2.gz DARPNIVBOOFQQW-UHFFFAOYSA-N -2 0 350.352 0.919 20 0 FCADRL COC[C@@]1(C(=O)[O-])CN(C(=O)c2nn(-c3ccccc3)cc2[O-])CCO1 ZINC001593982704 956723999 /nfs/dbraw/zinc/72/39/99/956723999.db2.gz IZQKMZRHECDFDR-QGZVFWFLSA-N -2 0 361.354 0.520 20 0 FCADRL NC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cn1 ZINC000390596367 972294977 /nfs/dbraw/zinc/29/49/77/972294977.db2.gz DTIJATANNNXQGW-UHFFFAOYSA-N -2 0 358.763 0.521 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)Nc3cc(C(=O)[O-])ccn3)cc2=O)n1 ZINC001594305404 957964247 /nfs/dbraw/zinc/96/42/47/957964247.db2.gz GKQRNIAWWCINLE-UHFFFAOYSA-N -2 0 354.326 0.918 20 0 FCADRL O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1nn(-c3ccccc3F)cc1[O-])C2 ZINC001549305974 958281599 /nfs/dbraw/zinc/28/15/99/958281599.db2.gz NDCUPXVJBMODEN-BTDLBPIBSA-N -2 0 361.329 0.890 20 0 FCADRL Cc1nnc(CC(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])o1 ZINC001594490386 959691769 /nfs/dbraw/zinc/69/17/69/959691769.db2.gz DAWZWILXPNRVEZ-OIBJUYFYSA-N -2 0 364.280 0.043 20 0 FCADRL C[S@](=O)(=NS(=O)(=O)[N-][C@]1(C(=O)[O-])CCOC1)c1ccccc1F ZINC001574241856 960465345 /nfs/dbraw/zinc/46/53/45/960465345.db2.gz GJEYYSLCIGNZCQ-VERVWZFWSA-N -2 0 366.392 0.361 20 0 FCADRL Cc1cc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c(C)nn1 ZINC001574312422 960765755 /nfs/dbraw/zinc/76/57/55/960765755.db2.gz LBRAHSHEAMGMBZ-QWRGUYRKSA-N -2 0 374.319 0.830 20 0 FCADRL CCC/C=C/[C@H](O)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001573841398 961080323 /nfs/dbraw/zinc/08/03/23/961080323.db2.gz SLSDFSGLNXHSBD-MUHZYKGJSA-N -2 0 366.336 0.826 20 0 FCADRL CCc1cc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])no1 ZINC001573952113 961648517 /nfs/dbraw/zinc/64/85/17/961648517.db2.gz FDMBJTXEFSTTPA-PSASIEDQSA-N -2 0 363.292 0.973 20 0 FCADRL O=C([O-])c1c[nH]nc1NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001574531649 961904145 /nfs/dbraw/zinc/90/41/45/961904145.db2.gz PPOLBRSICWWXRX-UHFFFAOYSA-N -2 0 360.298 0.303 20 0 FCADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001574022540 961976680 /nfs/dbraw/zinc/97/66/80/961976680.db2.gz POKMASWBQNZCRB-UHFFFAOYSA-N -2 0 374.378 0.915 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccsn1 ZINC001574649366 962414286 /nfs/dbraw/zinc/41/42/86/962414286.db2.gz ZHWHWQVVQMSBEL-HTRCEHHLSA-N -2 0 351.306 0.879 20 0 FCADRL NS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000315291810 963875108 /nfs/dbraw/zinc/87/51/08/963875108.db2.gz NYVRQAIXGUDTKU-UHFFFAOYSA-N -2 0 362.410 0.895 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)C2)on1 ZINC000315396662 963895136 /nfs/dbraw/zinc/89/51/36/963895136.db2.gz LOPOVGQADOFQRB-GFCCVEGCSA-N -2 0 351.384 0.926 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1coc(CO)c1 ZINC001594888265 970272903 /nfs/dbraw/zinc/27/29/03/970272903.db2.gz BGGDOGGCVSKRCX-UWVGGRQHSA-N -2 0 364.276 0.508 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3C[C@@H](C)C[C@H](C(=O)[O-])C3)cc2=O)n1 ZINC001605158264 972848835 /nfs/dbraw/zinc/84/88/35/972848835.db2.gz ICGBHNDDJNNHBF-CABZTGNLSA-N -2 0 359.386 0.755 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3C[C@H](C(=O)[O-])C[C@H](C)C3)cc2=O)n1 ZINC001605158265 972849112 /nfs/dbraw/zinc/84/91/12/972849112.db2.gz ICGBHNDDJNNHBF-JOYOIKCWSA-N -2 0 359.386 0.755 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3C[C@H](C)C[C@H](C(=O)[O-])C3)cc2=O)n1 ZINC001605158267 972849369 /nfs/dbraw/zinc/84/93/69/972849369.db2.gz ICGBHNDDJNNHBF-SKDRFNHKSA-N -2 0 359.386 0.755 20 0 FCADRL C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC001603387923 972986415 /nfs/dbraw/zinc/98/64/15/972986415.db2.gz CZUDYCDACMKGDJ-QWRGUYRKSA-N -2 0 370.427 0.968 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)n[nH]1 ZINC001604376396 973094820 /nfs/dbraw/zinc/09/48/20/973094820.db2.gz ULGALAZWBWWQDI-XHNCKOQMSA-N -2 0 359.404 0.610 20 0 FCADRL CCN(c1ccccc1)S(=O)(=O)[N-]C(=O)c1cnc(C(=O)[O-])cn1 ZINC001603756140 974196166 /nfs/dbraw/zinc/19/61/66/974196166.db2.gz FSHOHXBWCYRWRK-UHFFFAOYSA-N -2 0 350.356 0.676 20 0 FCADRL CC(C)c1c(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cnn1-c1ccccn1 ZINC001591923309 976399554 /nfs/dbraw/zinc/39/95/54/976399554.db2.gz MOVOGRJJIRUPHL-SNVBAGLBSA-N -2 0 366.399 0.923 20 0 FCADRL C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC001592405653 977976219 /nfs/dbraw/zinc/97/62/19/977976219.db2.gz BMXXLXJKWKPHMW-IBHLPDHGSA-N -2 0 357.384 0.631 20 0 FCADRL C[C@H](CN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC001592563670 978453693 /nfs/dbraw/zinc/45/36/93/978453693.db2.gz BTFSFOJMKATZMV-HLTSFMKQSA-N -2 0 368.308 0.277 20 0 FCADRL C[C@H](CNC(=O)C(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1)C(=O)[O-] ZINC001592630744 978611706 /nfs/dbraw/zinc/61/17/06/978611706.db2.gz UVHVXIJWVDRXCN-RKDXNWHRSA-N -2 0 369.399 0.384 20 0 FCADRL C[C@@](CO)(CNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)CC(=O)[O-] ZINC001592728469 979237154 /nfs/dbraw/zinc/23/71/54/979237154.db2.gz GCIVRFDRVFMENO-ZDUSSCGKSA-N -3 0 367.326 0.415 20 0 FCADRL C[C@](CO)(CNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)CC(=O)[O-] ZINC001592729360 979242473 /nfs/dbraw/zinc/24/24/73/979242473.db2.gz NNHCGTBTIXIUAL-NFBGWVBBSA-N -2 0 357.384 0.536 20 0 FCADRL C[C@@H](CS(=O)(=O)N[C@@H](Cc1c[nH]c2ncccc12)C(=O)[O-])C(=O)[O-] ZINC001592807613 979477523 /nfs/dbraw/zinc/47/75/23/979477523.db2.gz ODCRGDNWVANXDI-KWQFWETISA-N -2 0 355.372 0.199 20 0 FCADRL CC[C@](COC)([N-]S(=O)(=O)CC1(C(=O)[O-])CCCCC1)C(=O)OC ZINC001595200389 979949383 /nfs/dbraw/zinc/94/93/83/979949383.db2.gz ZEUKSVCBJJINGN-OAHLLOKOSA-N -2 0 365.448 0.909 20 0 FCADRL C[C@@H](NC(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001592969979 980104374 /nfs/dbraw/zinc/10/43/74/980104374.db2.gz APJUIWZJSHCRFF-QPSSLKIMSA-N -2 0 368.430 0.951 20 0 FCADRL C[C@H](NC(=O)C(=O)N1CCC(C(=O)[O-])CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001592972706 980133150 /nfs/dbraw/zinc/13/31/50/980133150.db2.gz YOXSTKWOOILKFI-ZMLRMANQSA-N -2 0 354.403 0.561 20 0 FCADRL C[C@H](NC(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001592979008 980143913 /nfs/dbraw/zinc/14/39/13/980143913.db2.gz GIRUGLIJEGBHNV-XYJRDEOASA-N -2 0 368.430 0.855 20 0 FCADRL CC[C@H](NS(=O)(=O)c1sc(C(=O)[O-])c(C)c1C(=O)OC)C(=O)[O-] ZINC001595316468 980483270 /nfs/dbraw/zinc/48/32/70/980483270.db2.gz IGJDUARPFVBBKQ-LURJTMIESA-N -2 0 365.385 0.683 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])C1=O ZINC001595372190 980859618 /nfs/dbraw/zinc/85/96/18/980859618.db2.gz ZTOSYMHSFIFAKM-ZDUSSCGKSA-N -2 0 359.360 0.508 20 0 FCADRL CCCCOCC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001595770263 982505825 /nfs/dbraw/zinc/50/58/25/982505825.db2.gz QAEVXWOXFFBTSE-UHFFFAOYSA-N -2 0 359.400 0.944 20 0 FCADRL CCCN(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@H](C)C(=O)[O-] ZINC001595817375 982680848 /nfs/dbraw/zinc/68/08/48/982680848.db2.gz VBVYHZHEQVCJBD-SECBINFHSA-N -2 0 364.370 0.955 20 0 FCADRL CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1C[C@H](C(=O)[O-])[C@H]2C[C@H]21 ZINC001596586412 984515324 /nfs/dbraw/zinc/51/53/24/984515324.db2.gz BCHOGWICZCXKEP-SQXHDICFSA-N -2 0 373.349 0.899 20 0 FCADRL CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1CC=C(C(=O)[O-])C1 ZINC001596587883 984523330 /nfs/dbraw/zinc/52/33/30/984523330.db2.gz ZFUCIMZJTWHXON-DTWKUNHWSA-N -2 0 359.322 0.963 20 0 FCADRL CCOC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cn1C ZINC001596715838 984946441 /nfs/dbraw/zinc/94/64/41/984946441.db2.gz YFACCJRUANTFHD-UHFFFAOYSA-N -2 0 356.360 0.284 20 0 FCADRL CC(=O)C[C@@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C(=O)[O-] ZINC001589029384 985051978 /nfs/dbraw/zinc/05/19/78/985051978.db2.gz CLHKHEIVPGQYTN-MRVPVSSYSA-N -2 0 351.283 0.374 20 0 FCADRL CC(=O)C[C@@H](NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)C(=O)[O-] ZINC001589030455 985060974 /nfs/dbraw/zinc/06/09/74/985060974.db2.gz UPDAQXVSWWOLTB-SECBINFHSA-N -2 0 351.283 0.374 20 0 FCADRL CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC001589066503 985202728 /nfs/dbraw/zinc/20/27/28/985202728.db2.gz OIDXQXVLAKHJAG-UHFFFAOYSA-N -2 0 368.411 0.384 20 0 FCADRL CC(=O)N1CCc2ccccc2[C@H]1CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001589093362 985283844 /nfs/dbraw/zinc/28/38/44/985283844.db2.gz PSLWWBAILACZGI-QMTHXVAHSA-N -2 0 368.411 0.442 20 0 FCADRL CC(=O)N[C@H](CC(=O)[N-]S(=O)(=O)CCC(=O)[O-])c1ccc(C)cc1 ZINC001589111613 985351695 /nfs/dbraw/zinc/35/16/95/985351695.db2.gz XDOYIYHZHHSKNL-CYBMUJFWSA-N -2 0 356.400 0.483 20 0 FCADRL C[C@H]1OCCN(S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])[C@@H]1C(=O)[O-] ZINC001599935647 985389938 /nfs/dbraw/zinc/38/99/38/985389938.db2.gz CVXBJVNAKDMRGF-LDWIPMOCSA-N -2 0 364.763 0.296 20 0 FCADRL CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC2)s1 ZINC001589143814 985456840 /nfs/dbraw/zinc/45/68/40/985456840.db2.gz OLPMYLMEBGAKLK-UHFFFAOYSA-N -2 0 360.413 0.096 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001599941493 985460125 /nfs/dbraw/zinc/46/01/25/985460125.db2.gz QWFBEUBHFDZKBU-LLVKDONJSA-N -2 0 373.369 0.192 20 0 FCADRL CC(=O)Nc1cccc(CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1 ZINC001589209418 985685864 /nfs/dbraw/zinc/68/58/64/985685864.db2.gz MXGKQIKACUWVMG-UHFFFAOYSA-N -2 0 356.400 0.744 20 0 FCADRL CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001596932431 986032039 /nfs/dbraw/zinc/03/20/39/986032039.db2.gz YCPNCMWVEBFLAO-SNVBAGLBSA-N -2 0 360.388 0.599 20 0 FCADRL CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001596932430 986032424 /nfs/dbraw/zinc/03/24/24/986032424.db2.gz YCPNCMWVEBFLAO-JTQLQIEISA-N -2 0 360.388 0.599 20 0 FCADRL CC(=O)c1cccc(OCC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1 ZINC001589311621 986098190 /nfs/dbraw/zinc/09/81/90/986098190.db2.gz VGXPQKWMGOADSC-UHFFFAOYSA-N -2 0 357.384 0.825 20 0 FCADRL CC(=O)c1cccc(OCCCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c1 ZINC001589313828 986102891 /nfs/dbraw/zinc/10/28/91/986102891.db2.gz BENAQGLLVQNWQB-LLVKDONJSA-N -2 0 357.384 0.967 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001589450088 986835825 /nfs/dbraw/zinc/83/58/25/986835825.db2.gz AJUYRBVSDOWYGS-SDDRHHMPSA-N -2 0 368.411 0.595 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)n1nnnc1C(C)(C)C ZINC001589450696 986841902 /nfs/dbraw/zinc/84/19/02/986841902.db2.gz FHXJAOCWJKLALZ-DJLDLDEBSA-N -2 0 361.424 0.087 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC001589451490 986844352 /nfs/dbraw/zinc/84/43/52/986844352.db2.gz INGOKFKKWIRYBY-RKDXNWHRSA-N -2 0 352.372 0.641 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CN(C)C(=O)OC(C)(C)C ZINC001589452886 986855143 /nfs/dbraw/zinc/85/51/43/986855143.db2.gz NGKFUYKUDSMQHJ-DTWKUNHWSA-N -2 0 352.409 0.409 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cncc(N2CCCC2=O)c1 ZINC001589453610 986863492 /nfs/dbraw/zinc/86/34/92/986863492.db2.gz HAYAPSSQNVCINX-UWVGGRQHSA-N -2 0 369.399 0.377 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)OCCO2 ZINC001589453987 986870740 /nfs/dbraw/zinc/87/07/40/986870740.db2.gz SJGUFFVZRNTBOV-NXEZZACHSA-N -2 0 357.384 0.556 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccnc(NC(=O)C2CC2)c1 ZINC001589454529 986880018 /nfs/dbraw/zinc/88/00/18/986880018.db2.gz OUMLSQOMCNNBPK-BDAKNGLRSA-N -2 0 369.399 0.599 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)OC(C)(C)C ZINC001589455133 986891678 /nfs/dbraw/zinc/89/16/78/986891678.db2.gz ZZQAFOZWFZXYRZ-BDAKNGLRSA-N -2 0 352.409 0.456 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(Cn2ccnn2)cc1 ZINC001589455227 986893093 /nfs/dbraw/zinc/89/30/93/986893093.db2.gz WIPYFDDIURKTGO-QWRGUYRKSA-N -2 0 366.399 0.495 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001589455325 986895080 /nfs/dbraw/zinc/89/50/80/986895080.db2.gz YEGDQSLJKQZELA-HTQZYQBOSA-N -2 0 356.356 0.186 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1csc(S(C)(=O)=O)c1 ZINC001589455339 986895480 /nfs/dbraw/zinc/89/54/80/986895480.db2.gz YIIZYHZNIOIWEL-RNFRBKRXSA-N -2 0 369.442 0.320 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(NC(=O)N(C)C)c1 ZINC001589455359 986895629 /nfs/dbraw/zinc/89/56/29/986895629.db2.gz YRAUQGVATDIJLZ-VHSXEESVSA-N -2 0 371.415 0.949 20 0 FCADRL CCOc1cccc2c1OCC(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])=C2 ZINC001597164798 986980934 /nfs/dbraw/zinc/98/09/34/986980934.db2.gz HYOFSAKQKJXPSI-VIFPVBQESA-N -2 0 355.368 0.780 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1csc(-c2ncccc2F)n1 ZINC001589490734 987056408 /nfs/dbraw/zinc/05/64/08/987056408.db2.gz FDGZFCQFFPJBOP-ZCFIWIBFSA-N -2 0 359.360 0.877 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(CN2CCCC2=O)cc1 ZINC001589491038 987057048 /nfs/dbraw/zinc/05/70/48/987057048.db2.gz HCBLLMNHWXKVLW-SNVBAGLBSA-N -2 0 354.384 0.342 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC001589492079 987062617 /nfs/dbraw/zinc/06/26/17/987062617.db2.gz QXVZVRPPTAVPHF-MFKMUULPSA-N -2 0 357.384 0.777 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCc1cc2ccccc2[nH]c1=O ZINC001589492884 987066263 /nfs/dbraw/zinc/06/62/63/987066263.db2.gz AESWSNVYCSSOGM-SECBINFHSA-N -2 0 352.368 0.792 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)/C=C\c1ccc(Br)o1 ZINC001589492984 987067066 /nfs/dbraw/zinc/06/70/66/987067066.db2.gz AWVPOAHJJNVFHI-LMXCLXGDSA-N -2 0 352.162 0.974 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC001589493966 987068605 /nfs/dbraw/zinc/06/86/05/987068605.db2.gz GFFBVCLOPLGYGL-VIFPVBQESA-N -2 0 364.420 0.601 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC001589493965 987068941 /nfs/dbraw/zinc/06/89/41/987068941.db2.gz GFFBVCLOPLGYGL-SECBINFHSA-N -2 0 364.420 0.601 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCc1nc(-c2cccs2)no1 ZINC001589494010 987070074 /nfs/dbraw/zinc/07/00/74/987070074.db2.gz HIONTGUZXFMQED-SSDOTTSWSA-N -2 0 359.385 0.650 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1 ZINC001589496477 987078976 /nfs/dbraw/zinc/07/89/76/987078976.db2.gz WZMPOUXLULGWPJ-SDBXPKJASA-N -2 0 368.383 0.255 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001597231781 987191763 /nfs/dbraw/zinc/19/17/63/987191763.db2.gz YMPLPXVIVMFWKQ-QWRGUYRKSA-N -2 0 356.400 0.356 20 0 FCADRL CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1)C(=O)[O-] ZINC001597314260 987437042 /nfs/dbraw/zinc/43/70/42/987437042.db2.gz IUTAIVTYWVDRTO-ZANVPECISA-N -2 0 352.343 0.704 20 0 FCADRL CC(C)(C)C(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001589690750 987753918 /nfs/dbraw/zinc/75/39/18/987753918.db2.gz ACYIPCJKQMEWRE-UHFFFAOYSA-N -2 0 374.390 0.420 20 0 FCADRL CSCC[C@H](NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-])C(=O)[O-] ZINC001599794650 988075425 /nfs/dbraw/zinc/07/54/25/988075425.db2.gz RGCKQNKDINMFNC-LURJTMIESA-N -2 0 368.820 0.918 20 0 FCADRL CSc1c(C(=O)[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)cnn1C ZINC001599804364 988230268 /nfs/dbraw/zinc/23/02/68/988230268.db2.gz IMOVDKGVFGDKDI-UHFFFAOYSA-N -2 0 359.385 0.860 20 0 FCADRL CCc1nc(COc2ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc2)no1 ZINC001597672916 988768813 /nfs/dbraw/zinc/76/88/13/988768813.db2.gz BYQJUUZKCRRLBT-UHFFFAOYSA-N -2 0 369.355 0.355 20 0 FCADRL C[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])nn2C)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001599848499 988972972 /nfs/dbraw/zinc/97/29/72/988972972.db2.gz OQDYJDDKEDPLMB-APPZFPTMSA-N -2 0 362.308 0.647 20 0 FCADRL CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])C(=O)[N-]S(=O)(=O)CC(F)F ZINC001590115803 989308663 /nfs/dbraw/zinc/30/86/63/989308663.db2.gz DAQXRIWXDFZGIW-ZETCQYMHSA-N -2 0 374.362 0.456 20 0 FCADRL CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3cnc(C(=O)[O-])cn3)ccc21 ZINC001597836120 989520731 /nfs/dbraw/zinc/52/07/31/989520731.db2.gz HKQLJGJNUNTGKY-UHFFFAOYSA-N -2 0 364.339 0.903 20 0 FCADRL CC(C)(C)OC(=O)NCCCC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001590185946 989548541 /nfs/dbraw/zinc/54/85/41/989548541.db2.gz XCWPHNLEKLYXBO-UHFFFAOYSA-N -2 0 366.436 0.848 20 0 FCADRL CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001590200323 989559371 /nfs/dbraw/zinc/55/93/71/989559371.db2.gz AVLMSEFYINCZGO-UHFFFAOYSA-N -2 0 362.404 0.212 20 0 FCADRL CC(C)(C)n1cnc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n1 ZINC001590602785 990262559 /nfs/dbraw/zinc/26/25/59/990262559.db2.gz GDIIUGUDDCOIFT-UHFFFAOYSA-N -2 0 358.401 0.912 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)[O-] ZINC001590798114 990619243 /nfs/dbraw/zinc/61/92/43/990619243.db2.gz LHOMLHTUDHENFM-LLVKDONJSA-N -2 0 355.368 0.325 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)C(=O)[O-] ZINC001590798251 990619950 /nfs/dbraw/zinc/61/99/50/990619950.db2.gz OPUXTYIHRPZSQW-ZETCQYMHSA-N -2 0 374.337 0.097 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)/C=C\c1ccc2c(c1)OCO2)C(=O)[O-] ZINC001590798249 990620031 /nfs/dbraw/zinc/62/00/31/990620031.db2.gz OPJAQBMMJGZANI-XQRVVYSFSA-N -2 0 355.368 0.985 20 0 FCADRL CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001590798318 990620677 /nfs/dbraw/zinc/62/06/77/990620677.db2.gz ROQHMSBOWKFAIJ-AWEZNQCLSA-N -2 0 352.428 0.756 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@H]1CNC(=O)c2ccccc21)C(=O)[O-] ZINC001590798429 990622151 /nfs/dbraw/zinc/62/21/51/990622151.db2.gz WYDKOBZQCBDDBH-NSHDSACASA-N -2 0 354.384 0.070 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2)nc1)C(=O)[O-] ZINC001590799006 990626201 /nfs/dbraw/zinc/62/62/01/990626201.db2.gz JLYCXAVKGQRSTA-UHFFFAOYSA-N -2 0 355.416 0.852 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC001590799362 990628819 /nfs/dbraw/zinc/62/88/19/990628819.db2.gz RYZURNZZGMHKJD-UHFFFAOYSA-N -2 0 360.363 0.112 20 0 FCADRL CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C(=O)[N-]OCCCC(=O)[O-] ZINC001598152083 990640728 /nfs/dbraw/zinc/64/07/28/990640728.db2.gz ZCSKGKFEBHQDAT-UHFFFAOYSA-N -2 0 371.777 0.893 20 0 FCADRL CC(C)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC001590944081 990984983 /nfs/dbraw/zinc/98/49/83/990984983.db2.gz OCSMFXUYJWCVJF-LBPRGKRZSA-N -2 0 372.399 0.877 20 0 FCADRL CN(C)Cc1csc(CNS(=O)(=O)c2cc(C(=O)[O-])ccn2)n1 ZINC001598257003 991069914 /nfs/dbraw/zinc/06/99/14/991069914.db2.gz ZLSNLOIJZHYHGF-UHFFFAOYSA-N -2 0 356.429 0.776 20 0 FCADRL CC(C)[C@@H](CNC(=O)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC001590982903 991155438 /nfs/dbraw/zinc/15/54/38/991155438.db2.gz WWNQTAYZQUCGIX-ZIAGYGMSSA-N -2 0 362.382 0.670 20 0 FCADRL CC(C)[C@@H](CNC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1)C(=O)[O-] ZINC001590983276 991159545 /nfs/dbraw/zinc/15/95/45/991159545.db2.gz HHNDRWFMFSEDNN-GHMZBOCLSA-N -2 0 353.379 0.680 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1 ZINC001598277354 991160404 /nfs/dbraw/zinc/16/04/04/991160404.db2.gz XHMPASOSDMWNAY-CQSZACIVSA-N -2 0 360.363 0.281 20 0 FCADRL COc1ccccc1[C@@H](C)NC(=O)CS(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001599697809 991174310 /nfs/dbraw/zinc/17/43/10/991174310.db2.gz IQXDFODFSJTWNB-SECBINFHSA-N -2 0 367.383 0.768 20 0 FCADRL CC(C)[C@H](NC(=O)c1cccs1)C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001591019198 991302673 /nfs/dbraw/zinc/30/26/73/991302673.db2.gz HBWXXKOEMDJRAU-NSHDSACASA-N -2 0 362.429 0.423 20 0 FCADRL COc1ncnc(N(C)C)c1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001599738348 991808413 /nfs/dbraw/zinc/80/84/13/991808413.db2.gz GCNUCMUJOHRLSA-UHFFFAOYSA-N -2 0 359.389 0.507 20 0 FCADRL C[S@](=O)(=NS(=O)(=O)[N-]CCOCC(=O)[O-])c1ccccc1F ZINC001599743939 991901684 /nfs/dbraw/zinc/90/16/84/991901684.db2.gz NEIPGIYDPHJYJP-OAQYLSRUSA-N -2 0 354.381 0.218 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)N(CCC(F)(F)F)CC(=O)[O-])cn1 ZINC001599759896 992105957 /nfs/dbraw/zinc/10/59/57/992105957.db2.gz LROKSNUEPJHVHZ-UHFFFAOYSA-N -2 0 369.321 0.932 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001599760320 992111919 /nfs/dbraw/zinc/11/19/19/992111919.db2.gz LAWQEYOFNQHRHB-ZDUSSCGKSA-N -2 0 374.390 0.495 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])cn1 ZINC001599761405 992127223 /nfs/dbraw/zinc/12/72/23/992127223.db2.gz YHNGXGGPJPKKDL-QWRGUYRKSA-N -2 0 357.388 0.205 20 0 FCADRL CS(=O)(=O)[N-]c1ccccc1C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001599762037 992135607 /nfs/dbraw/zinc/13/56/07/992135607.db2.gz GOVUOHPQSTZYCX-GFCCVEGCSA-N -2 0 352.372 0.207 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N(C)[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC001598481008 992150872 /nfs/dbraw/zinc/15/08/72/992150872.db2.gz RLSFQJMHKMBMDP-LBPRGKRZSA-N -2 0 366.342 0.674 20 0 FCADRL C[C@@H](NC(=O)OCc1ccccc1)C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001593134244 993896477 /nfs/dbraw/zinc/89/64/77/993896477.db2.gz GYZLLYIUZBXGTK-SNVBAGLBSA-N -2 0 358.372 0.222 20 0 FCADRL COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])n2C)c1 ZINC001599606793 993896708 /nfs/dbraw/zinc/89/67/08/993896708.db2.gz PAYIIUAMMKXJDL-UHFFFAOYSA-N -2 0 368.367 0.859 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)c(CC(=O)[O-])c1 ZINC001599609995 993939207 /nfs/dbraw/zinc/93/92/07/993939207.db2.gz CAIGSDRSGLKYEE-SNVBAGLBSA-N -2 0 357.384 0.808 20 0 FCADRL COc1ccc(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)cc1C(=O)[O-] ZINC001599611146 993955395 /nfs/dbraw/zinc/95/53/95/993955395.db2.gz VKZOMUYMFJKSRZ-UHFFFAOYSA-N -2 0 372.399 0.174 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCO2)c(CC(=O)[O-])c1 ZINC001599612214 993969534 /nfs/dbraw/zinc/96/95/34/993969534.db2.gz XIBCOUHFCDELMW-GFCCVEGCSA-N -2 0 357.384 0.696 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@H](C)[C@H](C)C(=O)[O-])c(OC)c1C(=O)[O-] ZINC001599612914 993978766 /nfs/dbraw/zinc/97/87/66/993978766.db2.gz LTJDKPDBUVYXPC-JGVFFNPUSA-N -2 0 361.372 0.790 20 0 FCADRL COc1ccc(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])cc1C(=O)[O-] ZINC001599615134 994004005 /nfs/dbraw/zinc/00/40/05/994004005.db2.gz PDAJZEMHVSAKHM-AWEZNQCLSA-N -2 0 361.372 0.145 20 0 FCADRL COc1ccc(S(=O)(=O)NCC2(CC(=O)[O-])CC2)c(OC)c1C(=O)[O-] ZINC001599617586 994036056 /nfs/dbraw/zinc/03/60/56/994036056.db2.gz ZSZFNPQJOFAZNJ-UHFFFAOYSA-N -2 0 373.383 0.935 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])cc1C ZINC001598651243 994446342 /nfs/dbraw/zinc/44/63/42/994446342.db2.gz OMCICXALJDENSU-UHFFFAOYSA-N -2 0 366.399 0.745 20 0 FCADRL CNC(=O)c1ccc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])cc1Cl ZINC001598657184 994540324 /nfs/dbraw/zinc/54/03/24/994540324.db2.gz CYBQQYPVNVCOSF-UHFFFAOYSA-N -2 0 357.750 0.551 20 0 FCADRL CNS(=O)(=O)c1cc(C(=O)N2CC[C@H](OC)C[C@H]2C(=O)[O-])ccc1F ZINC001598673516 994800347 /nfs/dbraw/zinc/80/03/47/994800347.db2.gz RJLZDYZQGCBMPM-JQWIXIFHSA-N -2 0 374.390 0.438 20 0 FCADRL CNS(=O)(=O)c1cc(NC(=O)c2ccc(C(=O)[O-])cn2)ccc1[O-] ZINC001598674902 994824443 /nfs/dbraw/zinc/82/44/43/994824443.db2.gz QUWIXTCHBBHXIN-UHFFFAOYSA-N -2 0 351.340 0.646 20 0 FCADRL CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1C ZINC001598675672 994838352 /nfs/dbraw/zinc/83/83/52/994838352.db2.gz HJINUURWXNLXCL-UHFFFAOYSA-N -2 0 374.396 0.995 20 0 FCADRL COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001598684220 994981331 /nfs/dbraw/zinc/98/13/31/994981331.db2.gz ITQPSGWLAJEFED-UHFFFAOYSA-N -2 0 371.411 0.963 20 0 FCADRL COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC001598694672 995117605 /nfs/dbraw/zinc/11/76/05/995117605.db2.gz MQDUVJYQRLWRHB-JTQLQIEISA-N -2 0 353.755 0.915 20 0 FCADRL COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC001598695435 995129733 /nfs/dbraw/zinc/12/97/33/995129733.db2.gz UQMRJBWWJNFTAG-VIFPVBQESA-N -2 0 359.356 0.296 20 0 FCADRL COC(=O)[C@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001598697163 995159167 /nfs/dbraw/zinc/15/91/67/995159167.db2.gz NAFFTFZKDPFWOU-SCZZXKLOSA-N -2 0 362.360 0.009 20 0 FCADRL C[C@@](O)(CNS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1)C(=O)[O-] ZINC001593416669 995199150 /nfs/dbraw/zinc/19/91/50/995199150.db2.gz BADGTJIDKHXDBS-LLVKDONJSA-N -2 0 371.289 0.518 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-])c1ccnn1C ZINC001598708458 995317884 /nfs/dbraw/zinc/31/78/84/995317884.db2.gz DUQRLCKQDHUJTB-NSHDSACASA-N -2 0 371.371 0.521 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])c1ccc(F)c(C)c1 ZINC001598709390 995329338 /nfs/dbraw/zinc/32/93/38/995329338.db2.gz NLYZAFJGLNNVOP-NSHDSACASA-N -2 0 371.346 0.748 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-])c1ccn(C)n1 ZINC001598709455 995329789 /nfs/dbraw/zinc/32/97/89/995329789.db2.gz OEABXSUITMKGQO-LLVKDONJSA-N -2 0 371.371 0.521 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-])c1ccn(C)n1 ZINC001598711241 995351434 /nfs/dbraw/zinc/35/14/34/995351434.db2.gz FJMSGURGICCQDK-GFCCVEGCSA-N -2 0 371.346 0.450 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)c1ccn(C)n1 ZINC001598712714 995366591 /nfs/dbraw/zinc/36/65/91/995366591.db2.gz JNRPMCIMPHJALS-JTQLQIEISA-N -2 0 357.344 0.212 20 0 FCADRL C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)C1 ZINC001593783607 996496840 /nfs/dbraw/zinc/49/68/40/996496840.db2.gz QLEHGLAKTDJINR-HNNXBMFYSA-N -2 0 356.281 0.925 20 0 FCADRL COC(=O)CC[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)C(=O)[O-] ZINC001598857462 996649890 /nfs/dbraw/zinc/64/98/90/996649890.db2.gz SKCLLXCZSUDECT-SNVBAGLBSA-N -2 0 363.319 0.209 20 0 FCADRL COC(=O)C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C)C(=O)[O-] ZINC001598868671 996725035 /nfs/dbraw/zinc/72/50/35/996725035.db2.gz UAAMGNXFOULDIH-SECBINFHSA-N -2 0 363.319 0.127 20 0 FCADRL COc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])nc1Cl ZINC001599485308 996838232 /nfs/dbraw/zinc/83/82/32/996838232.db2.gz MXOBARKHOZDOCN-RQJHMYQMSA-N -2 0 350.780 0.912 20 0 FCADRL COc1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1F ZINC001599485335 996838741 /nfs/dbraw/zinc/83/87/41/996838741.db2.gz OZJYWKUJBFLYCO-UHFFFAOYSA-N -2 0 360.363 0.606 20 0 FCADRL COCc1c(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cnn1-c1ccccc1 ZINC001599279238 996865031 /nfs/dbraw/zinc/86/50/31/996865031.db2.gz XRFPSQXVGSAIKN-UHFFFAOYSA-N -2 0 367.383 0.553 20 0 FCADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnccc1NC(C)=O ZINC001599383942 996910264 /nfs/dbraw/zinc/91/02/64/996910264.db2.gz NSUBZHNHGBFWKN-UHFFFAOYSA-N -2 0 365.367 0.970 20 0 FCADRL COc1ccc(C(=O)[O-])c(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1F ZINC001599489549 996913090 /nfs/dbraw/zinc/91/30/90/996913090.db2.gz KWAFPCXLLSWRIN-UHFFFAOYSA-N -2 0 361.289 0.556 20 0 FCADRL CC1(C)CN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])[C@H](C(=O)[O-])CO1 ZINC001593947709 997007039 /nfs/dbraw/zinc/00/70/39/997007039.db2.gz XWUMKVIGOKKLNQ-JTQLQIEISA-N -2 0 361.347 0.777 20 0 FCADRL COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001598892551 997018772 /nfs/dbraw/zinc/01/87/72/997018772.db2.gz BBVBFMNRQSRZCM-LLVKDONJSA-N -2 0 365.317 0.853 20 0 FCADRL COCc1cccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001599295551 997134029 /nfs/dbraw/zinc/13/40/29/997134029.db2.gz TVGUSIHHCAMVFO-UHFFFAOYSA-N -2 0 356.400 0.604 20 0 FCADRL COC(=O)[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001598903977 997228414 /nfs/dbraw/zinc/22/84/14/997228414.db2.gz VKNZICUVNZBHDH-NSHDSACASA-N -2 0 372.330 0.575 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)c1 ZINC001598922403 997591576 /nfs/dbraw/zinc/59/15/76/997591576.db2.gz PUFMETHXTIPSQD-LDYMZIIASA-N -2 0 369.351 0.479 20 0 FCADRL COc1ccc(C)cc1NC(=O)CS(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001599535112 997729699 /nfs/dbraw/zinc/72/96/99/997729699.db2.gz BVFCNHKWQONVNK-UHFFFAOYSA-N -2 0 353.356 0.837 20 0 FCADRL COCCCOCCC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001599226195 997763547 /nfs/dbraw/zinc/76/35/47/997763547.db2.gz GEYFOJRSAHZVJL-UHFFFAOYSA-N -2 0 352.390 0.089 20 0 FCADRL COCCCn1cc(C(=O)[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)cn1 ZINC001599230207 997835651 /nfs/dbraw/zinc/83/56/51/997835651.db2.gz OVKVHRLOZQFYKJ-UHFFFAOYSA-N -2 0 371.371 0.638 20 0 FCADRL CO[C@H]1CN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)[C@](C)(C(=O)[O-])C1 ZINC001599133695 997999664 /nfs/dbraw/zinc/99/96/64/997999664.db2.gz KDUGLLIYTXEUGX-ZDMBXUJBSA-N -2 0 354.325 0.780 20 0 FCADRL CO[C@H]1CN(S(=O)(=O)c2ccc(F)cc2C(=O)[O-])[C@@](C)(C(=O)[O-])C1 ZINC001599136363 998051102 /nfs/dbraw/zinc/05/11/02/998051102.db2.gz FQOSQJPKPZIQRU-YMTOWFKASA-N -2 0 361.347 0.777 20 0 FCADRL CO[C@@H]1COCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001599138980 998093553 /nfs/dbraw/zinc/09/35/53/998093553.db2.gz MSSGUAOCGZCJFT-DTWKUNHWSA-N -2 0 363.413 0.693 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2F)on1 ZINC001598950818 998148486 /nfs/dbraw/zinc/14/84/86/998148486.db2.gz HCDJQNSDWJTJKH-LLVKDONJSA-N -2 0 358.303 0.705 20 0 FCADRL COc1cc(OC)cc([C@@H](O)C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)c1 ZINC001599454592 998165981 /nfs/dbraw/zinc/16/59/81/998165981.db2.gz SXLMQHZLEZXDJB-LBPRGKRZSA-N -2 0 372.355 0.402 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCOC2)C(=O)[O-])on1 ZINC001598954236 998212162 /nfs/dbraw/zinc/21/21/62/998212162.db2.gz QAXIJQIIPQTCNW-DTWKUNHWSA-N -2 0 362.360 0.009 20 0 FCADRL COc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)cc(C(=O)[O-])c1OC ZINC001599460924 998270948 /nfs/dbraw/zinc/27/09/48/998270948.db2.gz ZBJBUKOQLODLMI-QMMMGPOBSA-N -2 0 359.356 0.497 20 0 FCADRL COc1cc2c(cc1C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])OCO2 ZINC001599462721 998301952 /nfs/dbraw/zinc/30/19/52/998301952.db2.gz HSKFHLXGPUUOAM-UHFFFAOYSA-N -2 0 359.356 0.594 20 0 FCADRL COC[C@](C)(NC(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O)C(=O)[O-] ZINC001599153355 998325742 /nfs/dbraw/zinc/32/57/42/998325742.db2.gz QQQWRMBXNLNVNK-INIZCTEOSA-N -2 0 361.358 0.096 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)c1 ZINC001598963876 998381427 /nfs/dbraw/zinc/38/14/27/998381427.db2.gz PBQVJGVCXBEFFP-SECBINFHSA-N -2 0 371.367 0.657 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001598964565 998391987 /nfs/dbraw/zinc/39/19/87/998391987.db2.gz VZYOTPPZPAVZJT-UHFFFAOYSA-N -2 0 371.367 0.657 20 0 FCADRL COc1ccc(-c2cnc(CCC(=O)[N-]S(=O)(=O)CC(=O)[O-])o2)cc1 ZINC001599468643 998410124 /nfs/dbraw/zinc/41/01/24/998410124.db2.gz IILCPNGOOUFDRS-UHFFFAOYSA-N -2 0 368.367 0.813 20 0 FCADRL COCCS(=O)(=O)[N-]C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001599262727 998414313 /nfs/dbraw/zinc/41/43/13/998414313.db2.gz MIHCWILLDIELLE-UHFFFAOYSA-N -2 0 366.189 0.853 20 0 FCADRL COCCc1cc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)n(C)n1 ZINC001599264695 998447238 /nfs/dbraw/zinc/44/72/38/998447238.db2.gz JNUOSBICHFKFSK-UHFFFAOYSA-N -2 0 354.388 0.811 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](C)[C@@H]1C(=O)[O-] ZINC001598969037 998479096 /nfs/dbraw/zinc/47/90/96/998479096.db2.gz MDHFFVXTZFDGBL-QPUJVOFHSA-N -2 0 371.367 0.655 20 0 FCADRL COc1ccc(Cn2cc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cn2)cc1 ZINC001599580274 998517341 /nfs/dbraw/zinc/51/73/41/998517341.db2.gz IWGZCCWWLNSJIJ-UHFFFAOYSA-N -2 0 353.356 0.084 20 0 FCADRL COCCn1cc(C(=O)[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)c(C)n1 ZINC001599271819 998554878 /nfs/dbraw/zinc/55/48/78/998554878.db2.gz QYTYBKGYJXXMSR-UHFFFAOYSA-N -2 0 371.371 0.556 20 0 FCADRL COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)c1 ZINC001598984947 998690982 /nfs/dbraw/zinc/69/09/82/998690982.db2.gz WIDAPTMHKHIPSH-UHFFFAOYSA-N -2 0 369.355 0.714 20 0 FCADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])C1CC1 ZINC001599019920 998970304 /nfs/dbraw/zinc/97/03/04/998970304.db2.gz VZEALKJQXBOZSR-UHFFFAOYSA-N -2 0 363.369 0.471 20 0 FCADRL COC(=O)c1sc(S(=O)(=O)[N-]c2cnnn2C)c(C(=O)[O-])c1C ZINC001599022154 998989091 /nfs/dbraw/zinc/98/90/91/998989091.db2.gz AUJKAWAZIMYULD-UHFFFAOYSA-N -2 0 360.373 0.471 20 0 FCADRL CO[C@H](CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)CC(=O)[O-] ZINC001599055486 999226463 /nfs/dbraw/zinc/22/64/63/999226463.db2.gz MYMZJHXQWGXOFN-VIFPVBQESA-N -2 0 351.764 0.806 20 0 FCADRL CO[C@@H](CNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-])CC(=O)[O-] ZINC001599055522 999226994 /nfs/dbraw/zinc/22/69/94/999226994.db2.gz OMXHOYBZUVXBJZ-ZCFIWIBFSA-N -2 0 352.752 0.201 20 0 FCADRL C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])[C@@H](C(=O)[O-])C1 ZINC001594410418 999531698 /nfs/dbraw/zinc/53/16/98/999531698.db2.gz OXTFUYFBCGTMIJ-ZWNOBZJWSA-N -2 0 370.427 0.968 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]C(=O)c2nn(-c3ccc(OC)cc3)cc2[O-])C1=O ZINC000292916941 214131324 /nfs/dbraw/zinc/13/13/24/214131324.db2.gz NXJKLQBXKVFOMR-KRWDZBQOSA-N -2 0 373.369 0.952 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)[O-] ZINC000285169913 213296263 /nfs/dbraw/zinc/29/62/63/213296263.db2.gz PSVXBVGKRPOKBB-ZETCQYMHSA-N -2 0 366.417 0.476 20 0 FCADRL CCOC(=O)c1cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])ccc1C ZINC000285041927 213271877 /nfs/dbraw/zinc/27/18/77/213271877.db2.gz JDVFUHXWIGBPGR-SNVBAGLBSA-N -2 0 373.383 0.626 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000262539613 209607334 /nfs/dbraw/zinc/60/73/34/209607334.db2.gz RAKNJZBGKCAPKC-QMMMGPOBSA-N -2 0 357.388 0.467 20 0 FCADRL CN1CCCc2ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc21 ZINC000364420962 215675304 /nfs/dbraw/zinc/67/53/04/215675304.db2.gz SHVUGNAWMYFGEF-NSHDSACASA-N -2 0 356.400 0.523 20 0 FCADRL CCC[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)[N-]c1ncnn1-2)C(=O)[O-] ZINC000262290261 209561562 /nfs/dbraw/zinc/56/15/62/209561562.db2.gz BMLPBVIXFVIQRI-SECBINFHSA-N -2 0 365.371 0.365 20 0 FCADRL CCN(CCC(=O)[O-])C(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O ZINC000261939332 209499464 /nfs/dbraw/zinc/49/94/64/209499464.db2.gz MVAAFCKWVLMYHV-UHFFFAOYSA-N -2 0 371.415 0.953 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C[C@H]1C(=O)[O-] ZINC000275206309 211984306 /nfs/dbraw/zinc/98/43/06/211984306.db2.gz ZIAAJZWGVGWBAD-HTQZYQBOSA-N -2 0 367.301 0.900 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c(C)c1 ZINC000275046859 211952890 /nfs/dbraw/zinc/95/28/90/211952890.db2.gz WLCINFJEOLJRIR-JTQLQIEISA-N -2 0 359.356 0.235 20 0 FCADRL O=C([O-])[C@@H]1CN(C(=O)c2cc(F)c(F)c([O-])c2F)CCS1(=O)=O ZINC000424245500 247187241 /nfs/dbraw/zinc/18/72/41/247187241.db2.gz PBSKLLVIOSIJCH-ZETCQYMHSA-N -2 0 353.274 0.133 20 0 FCADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)c1 ZINC000436994038 248056927 /nfs/dbraw/zinc/05/69/27/248056927.db2.gz KJHJECDJWDALHR-UHFFFAOYSA-N -2 0 361.339 0.867 20 0 FCADRL CCc1ccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)cc1C(=O)[O-] ZINC000441315996 248247245 /nfs/dbraw/zinc/24/72/45/248247245.db2.gz DDVUUJBQNDNEGB-UHFFFAOYSA-N -2 0 352.372 0.430 20 0 FCADRL O=C([O-])CCCCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000270479289 211209906 /nfs/dbraw/zinc/20/99/06/211209906.db2.gz KJJBMXJQSPQZLW-UHFFFAOYSA-N -2 0 356.360 0.359 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1sccc1Br ZINC000110969279 208274030 /nfs/dbraw/zinc/27/40/30/208274030.db2.gz RUFRWPBFIJMMBG-UHFFFAOYSA-N -2 0 358.191 0.671 20 0 FCADRL COCCc1ccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc1 ZINC000278720887 488891567 /nfs/dbraw/zinc/89/15/67/488891567.db2.gz OVESIMIFWKIOFX-CYBMUJFWSA-N -2 0 359.400 0.862 20 0 FCADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000287672169 488893865 /nfs/dbraw/zinc/89/38/65/488893865.db2.gz WCIZCBPAOPMWQV-UHFFFAOYSA-N -2 0 353.356 0.999 20 0 FCADRL COC(=O)c1sccc1S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000278750763 488893984 /nfs/dbraw/zinc/89/39/84/488893984.db2.gz RBUWAKYNJRTFMP-SSDOTTSWSA-N -2 0 365.385 0.521 20 0 FCADRL COc1cc(C)c(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1Cl ZINC000278827859 488898223 /nfs/dbraw/zinc/89/82/23/488898223.db2.gz YKOWYAKBOILYJQ-MRVPVSSYSA-N -2 0 351.764 0.863 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1C ZINC000325284565 488909506 /nfs/dbraw/zinc/90/95/06/488909506.db2.gz POAUAGKYRUWZKN-NEPJUHHUSA-N -2 0 357.384 0.800 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cn1 ZINC000326869885 488916573 /nfs/dbraw/zinc/91/65/73/488916573.db2.gz YOGZVDULCWKXIQ-UHFFFAOYSA-N -2 0 368.371 0.142 20 0 FCADRL CN1CCCc2ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc21 ZINC000364420961 488958311 /nfs/dbraw/zinc/95/83/11/488958311.db2.gz SHVUGNAWMYFGEF-LLVKDONJSA-N -2 0 356.400 0.523 20 0 FCADRL CC[C@@H](C)C(=O)N[N-]S(=O)(=O)c1cc(OC)c(OC)c(C(=O)[O-])c1 ZINC000055617195 488244938 /nfs/dbraw/zinc/24/49/38/488244938.db2.gz HWNCYRSJJPMETF-MRVPVSSYSA-N -2 0 360.388 0.758 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)n1 ZINC000067899449 488358205 /nfs/dbraw/zinc/35/82/05/488358205.db2.gz QABWGIVNSUPWPU-UHFFFAOYSA-N -2 0 369.355 0.564 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccccc1Br)C(=O)[O-] ZINC000093091706 488477962 /nfs/dbraw/zinc/47/79/62/488477962.db2.gz LYPJXBBGJWIRFX-ZETCQYMHSA-N -2 0 352.162 0.655 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cncc(Br)c1 ZINC000110969730 488527461 /nfs/dbraw/zinc/52/74/61/488527461.db2.gz ZWDVRNONNAUBGY-UHFFFAOYSA-N -2 0 353.150 0.004 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCCSCC(=O)[O-] ZINC000262812894 488594987 /nfs/dbraw/zinc/59/49/87/488594987.db2.gz UKFKONYDNFWPLQ-UHFFFAOYSA-N -2 0 350.393 0.745 20 0 FCADRL COc1cc(C(=O)N(C)[C@@H](C)C(=O)[O-])cc([N-]S(C)(=O)=O)c1OC ZINC000262926283 488599581 /nfs/dbraw/zinc/59/95/81/488599581.db2.gz WHSYUIAZGCEDQV-QMMMGPOBSA-N -2 0 360.388 0.620 20 0 FCADRL O=C([O-])COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1F ZINC000274388535 488703630 /nfs/dbraw/zinc/70/36/30/488703630.db2.gz UTWXKRIGENVOMA-SECBINFHSA-N -2 0 361.347 0.774 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c(Cl)c1 ZINC000274899528 488741815 /nfs/dbraw/zinc/74/18/15/488741815.db2.gz HWLXEMXPJMKHLS-QMMMGPOBSA-N -2 0 365.747 0.333 20 0 FCADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-] ZINC000274927248 488744459 /nfs/dbraw/zinc/74/44/59/488744459.db2.gz OEOCKVPXLBREDW-MRVPVSSYSA-N -2 0 365.747 0.333 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)C1=Cc2ccccc2OCC1)C(=O)[O-] ZINC000274975154 488749827 /nfs/dbraw/zinc/74/98/27/488749827.db2.gz KXJZTWDIMPXBHF-NSHDSACASA-N -2 0 355.368 0.905 20 0 FCADRL COCc1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1 ZINC000274993562 488751552 /nfs/dbraw/zinc/75/15/52/488751552.db2.gz FMITYLGFJPCELW-CHWSQXEVSA-N -2 0 357.384 0.629 20 0 FCADRL CCOC(=O)c1cccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000275040239 488755813 /nfs/dbraw/zinc/75/58/13/488755813.db2.gz GUECJQVTEDPDFD-NSHDSACASA-N -2 0 359.356 0.460 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)C[C@H]1C(=O)[O-] ZINC000275068403 488758267 /nfs/dbraw/zinc/75/82/67/488758267.db2.gz GNNXGSGPGFPYGZ-PSASIEDQSA-N -2 0 353.356 0.359 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)C[C@H]1C(=O)[O-] ZINC000275143307 488766021 /nfs/dbraw/zinc/76/60/21/488766021.db2.gz QNALHACTGGJLJW-NXEZZACHSA-N -2 0 362.791 0.672 20 0 FCADRL C[C@H]1Cc2cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc(Cl)c2O1 ZINC000275190498 488770708 /nfs/dbraw/zinc/77/07/08/488770708.db2.gz FMBQAHUOJBRXTH-WKEGUHRASA-N -2 0 363.775 0.870 20 0 FCADRL C[C@@H]1CCC[C@@H](C(=O)[O-])N1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000275202671 488772048 /nfs/dbraw/zinc/77/20/48/488772048.db2.gz ZCXBMCZNOIRZRK-XCBNKYQSSA-N -2 0 368.371 0.452 20 0 FCADRL CC(C)C[C@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000280076084 488983873 /nfs/dbraw/zinc/98/38/73/488983873.db2.gz VCFFUQSSNBVPOS-MRVPVSSYSA-N -2 0 370.387 0.461 20 0 FCADRL Cc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1C(=O)OC(C)C ZINC000289774161 489092349 /nfs/dbraw/zinc/09/23/49/489092349.db2.gz QCZKKGPVUJKRIT-GFCCVEGCSA-N -2 0 373.383 0.766 20 0 FCADRL CNS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)CCOC(C)C)c1 ZINC000290503644 489145371 /nfs/dbraw/zinc/14/53/71/489145371.db2.gz KYMQWPIKKFECMS-UHFFFAOYSA-N -2 0 352.434 0.467 20 0 FCADRL COCc1cc(Cl)cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1 ZINC000290611347 489152751 /nfs/dbraw/zinc/15/27/51/489152751.db2.gz JPGHMHYYFFHQDL-UHFFFAOYSA-N -2 0 351.764 0.646 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)CCC2)C(=O)[O-] ZINC000290744876 489162164 /nfs/dbraw/zinc/16/21/64/489162164.db2.gz XOPZDZQBTDLENJ-LBPRGKRZSA-N -2 0 355.368 0.802 20 0 FCADRL CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000366318703 489170614 /nfs/dbraw/zinc/17/06/14/489170614.db2.gz GCYUXNLGSAOJAU-NEPJUHHUSA-N -2 0 364.420 0.015 20 0 FCADRL COc1cc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc(C(=O)[O-])c1OC ZINC000298839687 489372722 /nfs/dbraw/zinc/37/27/22/489372722.db2.gz GSERZCDQHFIGKZ-VIFPVBQESA-N -2 0 373.383 0.887 20 0 FCADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cccnc2-n2cncn2)c1 ZINC000376783508 489796718 /nfs/dbraw/zinc/79/67/18/489796718.db2.gz VZVIZFBXNODBLV-UHFFFAOYSA-N -2 0 361.339 0.867 20 0 FCADRL COC(=O)Cn1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1C ZINC000475829869 489853090 /nfs/dbraw/zinc/85/30/90/489853090.db2.gz RMXZISNNYCKOBJ-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)cn1 ZINC000477523733 489971164 /nfs/dbraw/zinc/97/11/64/489971164.db2.gz AYXMUMSTDRTZQF-UHFFFAOYSA-N -2 0 362.371 0.962 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)cc2)c[nH]1 ZINC000392205859 490148221 /nfs/dbraw/zinc/14/82/21/490148221.db2.gz HXFQSPYHKFKRSF-UHFFFAOYSA-N -2 0 353.356 0.236 20 0 FCADRL COCCn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(=O)[O-])c2)cn1 ZINC000547546041 490312685 /nfs/dbraw/zinc/31/26/85/490312685.db2.gz ZOFMPJMIWNPKMX-UHFFFAOYSA-N -3 0 369.355 0.727 20 0 FCADRL COc1ccccc1-n1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cn1 ZINC000547557061 490316680 /nfs/dbraw/zinc/31/66/80/490316680.db2.gz IWHBEAHMTFJZTE-SNVBAGLBSA-N -2 0 369.355 0.087 20 0 FCADRL Cn1cnc2cc(S(=O)(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C3)ccc21 ZINC000547602164 490327686 /nfs/dbraw/zinc/32/76/86/490327686.db2.gz POOVQRJLUFGELA-MNOVXSKESA-N -2 0 367.383 0.369 20 0 FCADRL C[C@](C[N-]S(=O)(=O)c1c(F)cc(F)cc1F)(CC(=O)[O-])C(=O)[O-] ZINC000547613000 490329898 /nfs/dbraw/zinc/32/98/98/490329898.db2.gz QGOCOXYEXSYHJA-GFCCVEGCSA-N -3 0 355.290 0.948 20 0 FCADRL O=C([O-])CNC(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000508447417 490330207 /nfs/dbraw/zinc/33/02/07/490330207.db2.gz RDYZIPZZINSGSA-UHFFFAOYSA-N -3 0 367.339 0.328 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC000547616382 490331216 /nfs/dbraw/zinc/33/12/16/490331216.db2.gz WRJCDYOHYVKRCV-AWEZNQCLSA-N -2 0 359.356 0.317 20 0 FCADRL C[C@@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000547897903 490380377 /nfs/dbraw/zinc/38/03/77/490380377.db2.gz DMGURWOQUYEVOX-LKFCYVNXSA-N -2 0 368.371 0.358 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000548204461 490437661 /nfs/dbraw/zinc/43/76/61/490437661.db2.gz ZQPTYCGNYMKPOC-SSDOTTSWSA-N -2 0 370.152 0.794 20 0 FCADRL CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000509605898 490442869 /nfs/dbraw/zinc/44/28/69/490442869.db2.gz XUYOQDNXMPIDRX-UHFFFAOYSA-N -2 0 352.372 0.470 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1ccc(Br)o1)C(=O)[O-] ZINC000548243354 490448175 /nfs/dbraw/zinc/44/81/75/490448175.db2.gz SGNWXGZRNOSZKY-YFKPBYRVSA-N -2 0 356.150 0.638 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cc1C(N)=O ZINC000548247623 490449066 /nfs/dbraw/zinc/44/90/66/490449066.db2.gz SBGTUACZBNMLQV-HNNXBMFYSA-N -2 0 370.383 0.034 20 0 FCADRL COCCOc1ccccc1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000548245707 490449430 /nfs/dbraw/zinc/44/94/30/490449430.db2.gz ZHQKUTUXFDVDJX-JTQLQIEISA-N -2 0 361.372 0.308 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)N2CC[C@@H]3CCCC[C@H]3C2)C[C@@H]1C(=O)[O-] ZINC000548251011 490450123 /nfs/dbraw/zinc/45/01/23/490450123.db2.gz CBVABRBOXMGIKR-FQUUOJAGSA-N -2 0 374.459 0.851 20 0 FCADRL Cn1cnc2cc(S(=O)(=O)N3CC[C@@](CC(=O)[O-])(C(=O)[O-])C3)ccc21 ZINC000548578592 490509724 /nfs/dbraw/zinc/50/97/24/490509724.db2.gz TZRUDFACGMYIAJ-HNNXBMFYSA-N -2 0 367.383 0.513 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000548577565 490509902 /nfs/dbraw/zinc/50/99/02/490509902.db2.gz FBUZAJHUVFUMQP-HNNXBMFYSA-N -2 0 355.368 0.657 20 0 FCADRL COC(=O)c1cccc(CS(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000548590282 490513767 /nfs/dbraw/zinc/51/37/67/490513767.db2.gz JFHOXZFGYWYNAS-HNNXBMFYSA-N -2 0 373.383 0.458 20 0 FCADRL C[C@@](CNS(=O)(=O)c1ccc2c(c1)OCCCO2)(CC(=O)[O-])C(=O)[O-] ZINC000548594357 490514695 /nfs/dbraw/zinc/51/46/95/490514695.db2.gz PEHOCMOSMZGRQY-HNNXBMFYSA-N -2 0 373.383 0.692 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2c(C(N)=O)n[nH]c2C(C)C)cc1C(=O)[O-] ZINC000451114633 490515565 /nfs/dbraw/zinc/51/55/65/490515565.db2.gz LRNUTMWUCAYZBC-UHFFFAOYSA-N -2 0 369.403 0.952 20 0 FCADRL COc1ccc(OC)c(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000548595754 490516125 /nfs/dbraw/zinc/51/61/25/490516125.db2.gz WBYYMTMWAMBUHK-AWEZNQCLSA-N -2 0 361.372 0.548 20 0 FCADRL NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1F ZINC000536656015 490605072 /nfs/dbraw/zinc/60/50/72/490605072.db2.gz CBLHSKXBYFHCKE-UHFFFAOYSA-N -2 0 363.348 0.300 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1C ZINC000504304823 490794712 /nfs/dbraw/zinc/79/47/12/490794712.db2.gz PGOQSMFPUSWRBS-UHFFFAOYSA-N -2 0 366.399 0.745 20 0 FCADRL Cc1cc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000540426797 490822159 /nfs/dbraw/zinc/82/21/59/490822159.db2.gz JDFWNDUXKFQCHS-MRVPVSSYSA-N -2 0 356.346 0.277 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000541910689 490878047 /nfs/dbraw/zinc/87/80/47/490878047.db2.gz PCNNYAWBFIFFRW-LURJTMIESA-N -2 0 370.152 0.794 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C ZINC000576390068 491610633 /nfs/dbraw/zinc/61/06/33/491610633.db2.gz GJEOAEQYAIQXJO-HTQZYQBOSA-N -2 0 350.418 0.953 20 0 FCADRL Cc1cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000568398287 491574289 /nfs/dbraw/zinc/57/42/89/491574289.db2.gz VRLZMUWRAAMDOP-QMMMGPOBSA-N -2 0 371.357 0.588 20 0 FCADRL C[C@](CNS(=O)(=O)CCOCC1CCCC1)(CC(=O)[O-])C(=O)[O-] ZINC000576091561 491580783 /nfs/dbraw/zinc/58/07/83/491580783.db2.gz ZXSKHMBTPCGLOR-CQSZACIVSA-N -2 0 351.421 0.678 20 0 FCADRL CCOC(=O)c1cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])ccc1C ZINC000585818909 491730777 /nfs/dbraw/zinc/73/07/77/491730777.db2.gz HOBMOOACCRDGMR-GFCCVEGCSA-N -2 0 373.383 0.768 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(=O)[O-])cc2)cn1C ZINC000589149276 491756602 /nfs/dbraw/zinc/75/66/02/491756602.db2.gz HAPDFKMEBQUANE-UHFFFAOYSA-N -2 0 366.399 0.734 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1cnc2onc(C3CC3)c2c1)C(=O)[O-] ZINC000581134723 491760813 /nfs/dbraw/zinc/76/08/13/491760813.db2.gz ATJLPWPBNDZWJG-QMMMGPOBSA-N -2 0 369.355 0.554 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1cnc2onc(C3CC3)c2c1)C(=O)[O-] ZINC000581134716 491760861 /nfs/dbraw/zinc/76/08/61/491760861.db2.gz ATJLPWPBNDZWJG-MRVPVSSYSA-N -2 0 369.355 0.554 20 0 FCADRL Cc1ncsc1CCS(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000581254950 491766057 /nfs/dbraw/zinc/76/60/57/491766057.db2.gz UBNZXMPMNYDMMT-SECBINFHSA-N -2 0 350.418 0.622 20 0 FCADRL CC(C)C[C@H](CN(C)C(=O)c1cc(=O)[nH][n-]1)NC(=O)c1cc(=O)[nH][n-]1 ZINC000613088490 491966192 /nfs/dbraw/zinc/96/61/92/491966192.db2.gz RBJIYRMNFWJQSV-SECBINFHSA-N -2 0 350.379 0.461 20 0 FCADRL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c[nH]1 ZINC000618906446 492242838 /nfs/dbraw/zinc/24/28/38/492242838.db2.gz JUHLLHVKFQHWBO-UHFFFAOYSA-N -2 0 366.355 0.832 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)CCc2ccccc2F)C[C@H]1C(=O)[O-] ZINC000656513978 492627626 /nfs/dbraw/zinc/62/76/26/492627626.db2.gz HGFAUSBNRVIWCN-VXGBXAGGSA-N -2 0 359.375 0.805 20 0 FCADRL COc1ncc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1Cl ZINC000650413064 492639314 /nfs/dbraw/zinc/63/93/14/492639314.db2.gz DGZLABZRQRWYJG-LURJTMIESA-N -2 0 352.752 0.197 20 0 FCADRL O=C([O-])c1ccc(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)cc1 ZINC000653311143 493091965 /nfs/dbraw/zinc/09/19/65/493091965.db2.gz MVVIQRZZBXXPOR-ZDUSSCGKSA-N -2 0 360.366 0.923 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000681556822 493185651 /nfs/dbraw/zinc/18/56/51/493185651.db2.gz VWXULDZJIZVPCD-SECBINFHSA-N -2 0 371.289 0.933 20 0 FCADRL CCc1nn(C)c(CC)c1S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000681578913 493189466 /nfs/dbraw/zinc/18/94/66/493189466.db2.gz HZUNYQLWGBDRAL-CQSZACIVSA-N -2 0 361.420 0.389 20 0 FCADRL O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000666570726 493203956 /nfs/dbraw/zinc/20/39/56/493203956.db2.gz NEJPJUONTOPFNA-KBPBESRZSA-N -2 0 350.371 0.958 20 0 FCADRL O=c1[n-]c(CN2CCN(Cc3n[nH]c(=O)[n-]3)c3ccc(O)cc3C2)n[nH]1 ZINC000661020591 493403025 /nfs/dbraw/zinc/40/30/25/493403025.db2.gz JMAMPAZOENDKHV-UHFFFAOYSA-N -2 0 358.362 0.062 20 0 FCADRL O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)C3(C(=O)[O-])CC=CC3)CC2)C1 ZINC000663117463 493572356 /nfs/dbraw/zinc/57/23/56/493572356.db2.gz QAWXUCGUCAIZDO-NSHDSACASA-N -2 0 350.371 0.332 20 0 FCADRL CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cn1 ZINC000589437677 546580032 /nfs/dbraw/zinc/58/00/32/546580032.db2.gz XAPQKKQZHOTNNH-UHFFFAOYSA-N -2 0 358.401 0.532 20 0 FCADRL COc1cc(C)c(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1OC ZINC000324156500 546847336 /nfs/dbraw/zinc/84/73/36/546847336.db2.gz BIPZMDNHRYVVHR-SECBINFHSA-N -2 0 361.372 0.609 20 0 FCADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCCO2 ZINC000552000539 547183665 /nfs/dbraw/zinc/18/36/65/547183665.db2.gz BZCNMPFFNMMXCD-UHFFFAOYSA-N -2 0 353.356 0.999 20 0 FCADRL Cc1cccc(C)c1NC(=O)C(=O)N=c1[n-]nc([N-]S(C)(=O)=O)s1 ZINC000480675096 547343865 /nfs/dbraw/zinc/34/38/65/547343865.db2.gz ZYUCCFWESXUCDB-UHFFFAOYSA-N -2 0 369.428 0.526 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2ccn(CC(=O)N(C)C)n2)cc1C(=O)[O-] ZINC000271058034 547390914 /nfs/dbraw/zinc/39/09/14/547390914.db2.gz KBLLOFVFUSMFBV-UHFFFAOYSA-N -2 0 369.403 0.292 20 0 FCADRL Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)c1 ZINC000273568078 547392585 /nfs/dbraw/zinc/39/25/85/547392585.db2.gz YRSMBLKKNAWKOH-SNVBAGLBSA-N -2 0 352.420 0.755 20 0 FCADRL O=C([O-])CSCC(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000819539606 597262909 /nfs/dbraw/zinc/26/29/09/597262909.db2.gz BBRFEPDJZIIZHW-UHFFFAOYSA-N -2 0 373.387 0.634 20 0 FCADRL COc1ccc(Br)cc1S([O-])=CC(=O)NCC(=O)[O-] ZINC000820814618 597737952 /nfs/dbraw/zinc/73/79/52/597737952.db2.gz DZOHMSYHWHTPDB-LJQANCHMSA-N -2 0 350.190 0.766 20 0 FCADRL COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000820661303 598148747 /nfs/dbraw/zinc/14/87/47/598148747.db2.gz UVBYPYJXUBEJRL-UHFFFAOYSA-N -2 0 370.383 0.244 20 0 FCADRL CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC000819796584 598160471 /nfs/dbraw/zinc/16/04/71/598160471.db2.gz AEMCYPUKZBUHJO-UHFFFAOYSA-N -2 0 370.368 0.313 20 0 FCADRL O=C([O-])Cn1ccc(NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)n1 ZINC000739915312 599741947 /nfs/dbraw/zinc/74/19/47/599741947.db2.gz FGJDLDBADIXQDU-UHFFFAOYSA-N -2 0 373.394 0.995 20 0 FCADRL COC(=O)CSCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000737628975 599798426 /nfs/dbraw/zinc/79/84/26/599798426.db2.gz VEKOXQIPYCSTTA-UHFFFAOYSA-N -2 0 367.426 0.548 20 0 FCADRL C[C@H](NS(=O)(=O)c1ccc(Br)cc1C(=O)[O-])C(=O)[O-] ZINC000738225359 599870476 /nfs/dbraw/zinc/87/04/76/599870476.db2.gz KMQCNZSMIZLCOH-YFKPBYRVSA-N -2 0 352.162 0.899 20 0 FCADRL CC(C)[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000736373963 599883584 /nfs/dbraw/zinc/88/35/84/599883584.db2.gz HYHMZXHCOFQRRM-GFCCVEGCSA-N -2 0 358.372 0.555 20 0 FCADRL COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)[C@H](NC(=O)[O-])C(C)C)c1 ZINC000738047076 599883973 /nfs/dbraw/zinc/88/39/73/599883973.db2.gz ACDIIOBKFRFXNS-GFCCVEGCSA-N -2 0 360.388 0.801 20 0 FCADRL CC(C)[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000736376369 599883976 /nfs/dbraw/zinc/88/39/76/599883976.db2.gz UWRILZBXFZJUJT-CYBMUJFWSA-N -2 0 369.399 0.668 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c1C ZINC000737714670 599908225 /nfs/dbraw/zinc/90/82/25/599908225.db2.gz VDUKHEZFCGAKRL-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL Cc1[nH]c(C([O-])=CS(=O)(=O)CCCS(C)(=O)=O)c(C)c1C(=O)[O-] ZINC000738153892 600002805 /nfs/dbraw/zinc/00/28/05/600002805.db2.gz DFIHTUMQNIUCGH-UHFFFAOYSA-N -2 0 365.429 0.362 20 0 FCADRL CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cn1 ZINC000737350104 600099113 /nfs/dbraw/zinc/09/91/13/600099113.db2.gz SIVMEDJZNVWCDQ-UHFFFAOYSA-N -2 0 370.362 0.609 20 0 FCADRL COc1ccc([C@H](CC(=O)[O-])NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1 ZINC000737952408 600150595 /nfs/dbraw/zinc/15/05/95/600150595.db2.gz JUGFKJGQSLYAPU-ZDUSSCGKSA-N -2 0 371.353 0.412 20 0 FCADRL CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000736134608 600162666 /nfs/dbraw/zinc/16/26/66/600162666.db2.gz JDUMDGIDWXHZJI-VIFPVBQESA-N -2 0 360.413 0.510 20 0 FCADRL Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3ccc(C(=O)[O-])s3)nc2n1 ZINC000738313959 600247033 /nfs/dbraw/zinc/24/70/33/600247033.db2.gz DRKDCRMLKYMOMX-UHFFFAOYSA-N -2 0 355.357 0.287 20 0 FCADRL CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736429391 600421502 /nfs/dbraw/zinc/42/15/02/600421502.db2.gz VGZHIQIODFTAGO-UHFFFAOYSA-N -2 0 356.400 0.742 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-])cc1C(N)=O ZINC000738653578 600440637 /nfs/dbraw/zinc/44/06/37/600440637.db2.gz YRZNQOKDDPXPIA-UHFFFAOYSA-N -2 0 360.413 0.107 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(F)cc1 ZINC000739691087 600459718 /nfs/dbraw/zinc/45/97/18/600459718.db2.gz FDPYRTIZRCNYPT-UHFFFAOYSA-N -2 0 360.363 0.256 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000739692533 600460675 /nfs/dbraw/zinc/46/06/75/600460675.db2.gz RATZBMHFKIAOCN-LLVKDONJSA-N -2 0 356.356 0.087 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000739696245 600461138 /nfs/dbraw/zinc/46/11/38/600461138.db2.gz NFTUNUDNCNJJSH-UHFFFAOYSA-N -2 0 355.347 0.936 20 0 FCADRL COc1cccc2c1OCC(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])=C2 ZINC000738111174 600462492 /nfs/dbraw/zinc/46/24/92/600462492.db2.gz AKLFVZBDWCJMHZ-UHFFFAOYSA-N -2 0 355.368 0.782 20 0 FCADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1F ZINC000739826268 600529887 /nfs/dbraw/zinc/52/98/87/600529887.db2.gz MWJIOLLFXYKMHW-UHFFFAOYSA-N -3 0 373.318 0.371 20 0 FCADRL CC(C)(C)OC(=O)NC(C)(C)CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736309757 600657938 /nfs/dbraw/zinc/65/79/38/600657938.db2.gz HYMPEIMUDDBGMB-UHFFFAOYSA-N -2 0 366.436 0.991 20 0 FCADRL CNC(=O)Cc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000324828224 600673432 /nfs/dbraw/zinc/67/34/32/600673432.db2.gz BNTXGEPHCFVSCW-UHFFFAOYSA-N -2 0 352.372 0.057 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)cn1 ZINC000392242890 600674181 /nfs/dbraw/zinc/67/41/81/600674181.db2.gz MNXLDYFNJNNGCS-UHFFFAOYSA-N -2 0 366.334 0.488 20 0 FCADRL COC(=O)Nc1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000324260872 600676427 /nfs/dbraw/zinc/67/64/27/600676427.db2.gz VOASDNVADPGPFZ-UHFFFAOYSA-N -2 0 354.344 0.947 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccn(Cc3ccncc3)n2)cn1 ZINC000833273680 600678876 /nfs/dbraw/zinc/67/88/76/600678876.db2.gz CHWZELMOJCKARD-UHFFFAOYSA-N -2 0 362.371 0.408 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)cn1 ZINC000833274388 600680389 /nfs/dbraw/zinc/68/03/89/600680389.db2.gz DNRJAPAMOVSNDN-UHFFFAOYSA-N -2 0 365.367 0.807 20 0 FCADRL C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000832729585 600682709 /nfs/dbraw/zinc/68/27/09/600682709.db2.gz GOKRXTKSPOFETC-JOCHJYFZSA-N -2 0 357.413 0.647 20 0 FCADRL CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000825824001 600684019 /nfs/dbraw/zinc/68/40/19/600684019.db2.gz YVFBQESJGGQSMS-UHFFFAOYSA-N -2 0 352.372 0.751 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cn1 ZINC000831192760 600684027 /nfs/dbraw/zinc/68/40/27/600684027.db2.gz SUHRXTLMRQTYPY-UHFFFAOYSA-N -2 0 368.371 0.625 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)cn1 ZINC000833274826 600687367 /nfs/dbraw/zinc/68/73/67/600687367.db2.gz IXCZAIPTUUDTBF-UHFFFAOYSA-N -3 0 361.282 0.745 20 0 FCADRL O=C([O-])C[C@@H]1CSCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000739657586 600699515 /nfs/dbraw/zinc/69/95/15/600699515.db2.gz IJYHYJKCSUGQFP-MRVPVSSYSA-N -2 0 350.356 0.468 20 0 FCADRL CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1 ZINC000324885576 600809650 /nfs/dbraw/zinc/80/96/50/600809650.db2.gz NAUAYWWBHKROOX-UHFFFAOYSA-N -2 0 373.412 0.432 20 0 FCADRL O=C([O-])[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000833179206 600962322 /nfs/dbraw/zinc/96/23/22/600962322.db2.gz NOXHMWCSYNVSJC-UWVGGRQHSA-N -2 0 353.331 0.537 20 0 FCADRL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ncn(CC(=O)[O-])n1 ZINC000831391052 600986899 /nfs/dbraw/zinc/98/68/99/600986899.db2.gz VMVQIJJJBHQUEG-UHFFFAOYSA-N -2 0 358.307 0.089 20 0 FCADRL COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c1 ZINC000831250553 600987114 /nfs/dbraw/zinc/98/71/14/600987114.db2.gz BIOLINRGDNLFJP-UHFFFAOYSA-N -2 0 374.762 0.604 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)n1 ZINC000833276950 600987786 /nfs/dbraw/zinc/98/77/86/600987786.db2.gz UDTSDCXXDKQGSY-UHFFFAOYSA-N -2 0 354.344 0.325 20 0 FCADRL O=C([O-])CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1cccc(F)c1 ZINC000739710687 601028760 /nfs/dbraw/zinc/02/87/60/601028760.db2.gz GTQKSMJWUZAMMR-UHFFFAOYSA-N -2 0 359.317 0.718 20 0 FCADRL COC(=O)[C@H](CC(=O)[O-])NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000831074245 601272213 /nfs/dbraw/zinc/27/22/13/601272213.db2.gz WDFJAEMAZQSOEU-JTQLQIEISA-N -2 0 365.317 0.772 20 0 FCADRL NC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n1 ZINC000833083829 601326534 /nfs/dbraw/zinc/32/65/34/601326534.db2.gz OCNUQBAQSAWWOO-UTCJRWHESA-N -2 0 350.356 0.267 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1 ZINC000735459727 601332568 /nfs/dbraw/zinc/33/25/68/601332568.db2.gz BSVVBJXVHVOPHG-UHFFFAOYSA-N -2 0 356.335 0.397 20 0 FCADRL C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000828495012 601341431 /nfs/dbraw/zinc/34/14/31/601341431.db2.gz UAVLNWNEYMTZEX-NSHDSACASA-N -2 0 372.381 0.535 20 0 FCADRL COc1cc(OC)c([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1F ZINC000832034299 601490099 /nfs/dbraw/zinc/49/00/99/601490099.db2.gz RVSKCUAERCWKRZ-UHFFFAOYSA-N -2 0 359.335 0.925 20 0 FCADRL C[C@@H](CN(C1CC1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000827450292 601512495 /nfs/dbraw/zinc/51/24/95/601512495.db2.gz VABXIBQFUOHJLO-ZETCQYMHSA-N -2 0 368.371 0.310 20 0 FCADRL O=C([O-])c1sccc1OS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000833348464 601514144 /nfs/dbraw/zinc/51/41/44/601514144.db2.gz VSRAMXPYSHNSEO-UHFFFAOYSA-N -2 0 369.336 0.963 20 0 FCADRL Cc1cc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc(C)c1OCC(=O)[O-] ZINC000832861898 601687119 /nfs/dbraw/zinc/68/71/19/601687119.db2.gz MHGUPGLZLBFEPW-LBPRGKRZSA-N -2 0 361.358 0.494 20 0 FCADRL CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)ccc1F ZINC000830569957 601785897 /nfs/dbraw/zinc/78/58/97/601785897.db2.gz YUIKURRSFOUJMD-UHFFFAOYSA-N -2 0 370.362 0.609 20 0 FCADRL NC(=O)CCOc1ccccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833082723 601835903 /nfs/dbraw/zinc/83/59/03/601835903.db2.gz YJMIURHFWSXVBB-UHFFFAOYSA-N -2 0 371.396 0.896 20 0 FCADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(=O)N2 ZINC000833361015 601837609 /nfs/dbraw/zinc/83/76/09/601837609.db2.gz MWJOKOLJHZOGRZ-UHFFFAOYSA-N -2 0 355.353 0.973 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])n1 ZINC000831192129 601840025 /nfs/dbraw/zinc/84/00/25/601840025.db2.gz BPGRWOPCOZULKQ-UHFFFAOYSA-N -2 0 374.762 0.604 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)ccc1Cl ZINC000831354374 601843860 /nfs/dbraw/zinc/84/38/60/601843860.db2.gz ZNPDHRZKMFGHJV-UHFFFAOYSA-N -2 0 374.762 0.604 20 0 FCADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC000831227055 601859911 /nfs/dbraw/zinc/85/99/11/601859911.db2.gz VRWDDODKYGNUFD-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-] ZINC000830085135 602179125 /nfs/dbraw/zinc/17/91/25/602179125.db2.gz PKILDHFASBVTJI-VIFPVBQESA-N -2 0 372.399 0.959 20 0 FCADRL CCOC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-])cc1 ZINC000829865784 602179213 /nfs/dbraw/zinc/17/92/13/602179213.db2.gz JUXFCMUUQPDWQO-JTQLQIEISA-N -2 0 372.399 0.848 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1C(N)=O ZINC000832653937 602320029 /nfs/dbraw/zinc/32/00/29/602320029.db2.gz GUJAJOVXASBYDO-UHFFFAOYSA-N -2 0 357.369 0.750 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000738228849 603200114 /nfs/dbraw/zinc/20/01/14/603200114.db2.gz CPHKJVGXGHZLQN-NSHDSACASA-N -2 0 372.385 0.749 20 0 FCADRL O=C(Cn1cnc(-c2nnn[n-]2)n1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000826425748 607634926 /nfs/dbraw/zinc/63/49/26/607634926.db2.gz RHOAEXJRNNOTFL-UHFFFAOYSA-N -2 0 368.279 0.725 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccnn2-c2ccc(C)nn2)c1C(=O)[O-] ZINC000832908963 604623340 /nfs/dbraw/zinc/62/33/40/604623340.db2.gz DGSYNOCXRUKFQS-UHFFFAOYSA-N -2 0 363.359 0.501 20 0 FCADRL O=C([O-])[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000833101318 604734075 /nfs/dbraw/zinc/73/40/75/604734075.db2.gz PROAHMKJAVTIKU-NEPJUHHUSA-N -2 0 355.368 0.287 20 0 FCADRL COc1cc(C(=O)NC2CN(C(=O)[O-])C2)cc([N-]S(C)(=O)=O)c1OC ZINC000829079319 604762160 /nfs/dbraw/zinc/76/21/60/604762160.db2.gz BFSTXDZAPROZIO-UHFFFAOYSA-N -2 0 373.387 0.167 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cnc(Br)cn2)cn1 ZINC000091272045 604771749 /nfs/dbraw/zinc/77/17/49/604771749.db2.gz DAHLXJKDEICVCZ-UHFFFAOYSA-N -2 0 362.165 0.321 20 0 FCADRL COC(=O)c1ccccc1CCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000833717002 604783501 /nfs/dbraw/zinc/78/35/01/604783501.db2.gz JHELIOOSKYWKTI-UHFFFAOYSA-N -2 0 357.384 0.717 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ncccc2Br)cn1 ZINC000091272062 604796763 /nfs/dbraw/zinc/79/67/63/604796763.db2.gz BUFVDZHXHIJWDL-UHFFFAOYSA-N -2 0 361.177 0.926 20 0 FCADRL COCCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000833723368 604880016 /nfs/dbraw/zinc/88/00/16/604880016.db2.gz ANHZLEVXNVRQSV-UHFFFAOYSA-N -2 0 351.764 0.760 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)CNC(=O)c2ccccc2)s1 ZINC000833109739 604881968 /nfs/dbraw/zinc/88/19/68/604881968.db2.gz SHIKZQCVTQLMJW-UHFFFAOYSA-N -2 0 368.392 0.681 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2cc(OC)ncn2)c1 ZINC000833715360 604884496 /nfs/dbraw/zinc/88/44/96/604884496.db2.gz SGQKGSINBQMORG-UHFFFAOYSA-N -2 0 367.339 0.771 20 0 FCADRL CC1(C)C(=O)Nc2ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc21 ZINC000828042295 604885037 /nfs/dbraw/zinc/88/50/37/604885037.db2.gz XJUZLFFKPXAYDD-UHFFFAOYSA-N -2 0 354.384 0.841 20 0 FCADRL COc1c([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cccc1C(N)=O ZINC000833727211 605169560 /nfs/dbraw/zinc/16/95/60/605169560.db2.gz QAVVJWVXSVCZJW-UHFFFAOYSA-N -2 0 366.351 0.999 20 0 FCADRL COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000776540195 605441054 /nfs/dbraw/zinc/44/10/54/605441054.db2.gz OQEKVIBOHGYVGT-ZETCQYMHSA-N -2 0 372.168 0.321 20 0 FCADRL COC(=O)[C@@H]1CCN(CC(=O)[N-]OCc2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000833705611 605680756 /nfs/dbraw/zinc/68/07/56/605680756.db2.gz DMWYYXINZBPAQQ-ZIAGYGMSSA-N -2 0 350.371 0.573 20 0 FCADRL COC(=O)[C@@H]1CCN(CC(=O)[N-]OCc2ccccc2)[C@H](C(=O)[O-])C1 ZINC000833705608 605680820 /nfs/dbraw/zinc/68/08/20/605680820.db2.gz DMWYYXINZBPAQQ-KGLIPLIRSA-N -2 0 350.371 0.573 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)cc1C(=O)[O-] ZINC000822266925 606711501 /nfs/dbraw/zinc/71/15/01/606711501.db2.gz KJXUEXISWHNOOC-UHFFFAOYSA-N -2 0 363.359 0.408 20 0 FCADRL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000738045865 664923142 /nfs/dbraw/zinc/92/31/42/664923142.db2.gz LCRQXNVIXYHSTM-UHFFFAOYSA-N -2 0 355.328 0.709 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cn1 ZINC000324461000 665133382 /nfs/dbraw/zinc/13/33/82/665133382.db2.gz IPRSCMMBPKUEQE-UHFFFAOYSA-N -2 0 356.335 0.267 20 0 FCADRL O=C([O-])C1(CNC(=O)c2cnc(I)c([O-])c2)CC1 ZINC000909640669 665180765 /nfs/dbraw/zinc/18/07/65/665180765.db2.gz PVVDTXRHGFVVNE-UHFFFAOYSA-N -2 0 362.123 0.986 20 0 FCADRL Cc1cc(C)c(S(=O)(=O)[N-]NC(=O)c2cccn2C)cc1C(=O)[O-] ZINC000055574813 666543452 /nfs/dbraw/zinc/54/34/52/666543452.db2.gz DPKAQSCWQGPXAP-UHFFFAOYSA-N -2 0 351.384 0.963 20 0 FCADRL CCCNC(=O)N[N-]S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000070776490 666579157 /nfs/dbraw/zinc/57/91/57/666579157.db2.gz XNOLDCVKCWGUFA-UHFFFAOYSA-N -2 0 359.360 0.059 20 0 FCADRL COC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)C(=O)[O-] ZINC000731049294 666803546 /nfs/dbraw/zinc/80/35/46/666803546.db2.gz UJMXZAZUFYHCCT-VIFPVBQESA-N -2 0 365.747 0.333 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732091311 666856400 /nfs/dbraw/zinc/85/64/00/666856400.db2.gz YUYHFKZTWRVRCF-GFCCVEGCSA-N -2 0 366.403 0.175 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)C1=O ZINC000917060725 667050011 /nfs/dbraw/zinc/05/00/11/667050011.db2.gz CHSNAMHCJUEUMQ-HNNXBMFYSA-N -2 0 369.399 0.618 20 0 FCADRL CC(C)(C)C(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1 ZINC000736238868 667089302 /nfs/dbraw/zinc/08/93/02/667089302.db2.gz HFPJNWFXEFQEAJ-NSHDSACASA-N -2 0 362.448 0.582 20 0 FCADRL O=C([O-])CCN(C1CC1)S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000919957357 667208758 /nfs/dbraw/zinc/20/87/58/667208758.db2.gz KAHNSFKHZWTHJS-UHFFFAOYSA-N -2 0 371.367 0.784 20 0 FCADRL O=C(NCc1n[nH]c(=O)[n-]1)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC000754353481 667593602 /nfs/dbraw/zinc/59/36/02/667593602.db2.gz GDBSNWUAJSYTEP-UHFFFAOYSA-N -2 0 365.293 0.702 20 0 FCADRL CS(=O)(=O)Cc1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1 ZINC000738154390 667905527 /nfs/dbraw/zinc/90/55/27/667905527.db2.gz CLQWNCNCLWYSCJ-UHFFFAOYSA-N -2 0 363.413 0.156 20 0 FCADRL O=C(OCc1n[nH]c(=O)[n-]1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000774920779 668183957 /nfs/dbraw/zinc/18/39/57/668183957.db2.gz XPUJMRAHHVVVOX-UHFFFAOYSA-N -2 0 356.335 0.447 20 0 FCADRL CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccnn2C)cc1 ZINC000776304105 668256548 /nfs/dbraw/zinc/25/65/48/668256548.db2.gz UZVUUMYKHCAMCS-UHFFFAOYSA-N -2 0 358.401 0.046 20 0 FCADRL Cn1nc([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1C(=O)[O-] ZINC000776426411 668260781 /nfs/dbraw/zinc/26/07/81/668260781.db2.gz KCSOIBYUMSLCQJ-UHFFFAOYSA-N -2 0 367.387 0.483 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])ccc1F ZINC000776631719 668280773 /nfs/dbraw/zinc/28/07/73/668280773.db2.gz BYGLBFRXPBTXGX-ZETCQYMHSA-N -2 0 363.319 0.066 20 0 FCADRL CCOC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])ccc1F ZINC000776645004 668282650 /nfs/dbraw/zinc/28/26/50/668282650.db2.gz IBOSRROUAHQSDL-UHFFFAOYSA-N -2 0 363.319 0.162 20 0 FCADRL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(-n2nn[n-]c2=O)cc1 ZINC000821198514 669168420 /nfs/dbraw/zinc/16/84/20/669168420.db2.gz NQZZZJOMLBIGPD-GFCCVEGCSA-N -2 0 369.403 0.841 20 0 FCADRL O=C([N-]O[C@@H]1CCCCO1)[C@H]1CC[C@@H](C(=O)[N-]O[C@H]2CCCCO2)O1 ZINC000825026869 669432607 /nfs/dbraw/zinc/43/26/07/669432607.db2.gz OSKCDINYICETBY-KPWCQOOUSA-N -2 0 358.391 0.683 20 0 FCADRL Cn1cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c(C(F)(F)F)n1 ZINC000828790925 669670109 /nfs/dbraw/zinc/67/01/09/669670109.db2.gz MJWJDLDCEVYWQL-RXMQYKEDSA-N -2 0 359.282 0.035 20 0 FCADRL CNS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@H]2CCCOC2)c1 ZINC000811724279 669765097 /nfs/dbraw/zinc/76/50/97/669765097.db2.gz GBKNJRHOKWAIQT-JTQLQIEISA-N -2 0 364.445 0.469 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000816011644 669934968 /nfs/dbraw/zinc/93/49/68/669934968.db2.gz VMTYGNMTXQOHOE-IUCAKERBSA-N -2 0 360.354 0.315 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC000816059960 669937948 /nfs/dbraw/zinc/93/79/48/669937948.db2.gz XPRRWVWOXZIVDV-JTQLQIEISA-N -2 0 367.349 0.731 20 0 FCADRL COc1ccc2c(c1)CCC(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])=C2 ZINC000837286610 670093951 /nfs/dbraw/zinc/09/39/51/670093951.db2.gz KWKYEYBWCQOCMP-CYBMUJFWSA-N -2 0 355.368 0.830 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC000843337938 670800555 /nfs/dbraw/zinc/80/05/55/670800555.db2.gz PIGVPEVPZFKTCM-IUCAKERBSA-N -2 0 350.297 0.365 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)CC(F)F)cc2[n-]c1=S ZINC000851358020 671437746 /nfs/dbraw/zinc/43/77/46/671437746.db2.gz HBPQULMXTNRVDN-UHFFFAOYSA-N -2 0 363.367 0.547 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc[n+]([O-])c1 ZINC000851701636 671460800 /nfs/dbraw/zinc/46/08/00/671460800.db2.gz XEAUJGZYAPLGED-VHSXEESVSA-N -2 0 361.276 0.056 20 0 FCADRL CCn1cc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cn1 ZINC000851702812 671461242 /nfs/dbraw/zinc/46/12/42/671461242.db2.gz MXTHGHBICLNIHP-VHSXEESVSA-N -2 0 362.308 0.639 20 0 FCADRL CCn1cc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])cn1 ZINC000851702810 671461385 /nfs/dbraw/zinc/46/13/85/671461385.db2.gz MXTHGHBICLNIHP-UWVGGRQHSA-N -2 0 362.308 0.639 20 0 FCADRL Cc1nnsc1CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852733286 671520038 /nfs/dbraw/zinc/52/00/38/671520038.db2.gz OQYJJOLYPBHJFK-IONNQARKSA-N -2 0 352.338 0.943 20 0 FCADRL COCC1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000853061971 671535985 /nfs/dbraw/zinc/53/59/85/671535985.db2.gz HZDAUUFZPWYOSL-UHFFFAOYSA-N -2 0 357.384 0.887 20 0 FCADRL CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cn(C)nc2C)cc1 ZINC000011923793 671735359 /nfs/dbraw/zinc/73/53/59/671735359.db2.gz MAOXEGUNGOBYIU-UHFFFAOYSA-N -2 0 372.428 0.354 20 0 FCADRL COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1C ZINC000863406052 672121465 /nfs/dbraw/zinc/12/14/65/672121465.db2.gz RWJDYNZDHVZZAQ-NSHDSACASA-N -2 0 374.371 0.770 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])CC2(C)C)cc1 ZINC000863951401 672163558 /nfs/dbraw/zinc/16/35/58/672163558.db2.gz GZKZNLIUMHGYFX-HNNXBMFYSA-N -2 0 354.384 0.951 20 0 FCADRL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CCCC2)s1 ZINC000863954922 672165173 /nfs/dbraw/zinc/16/51/73/672165173.db2.gz RYIAIGYNLXATPC-JTQLQIEISA-N -2 0 360.413 0.543 20 0 FCADRL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)c1 ZINC000863955123 672165271 /nfs/dbraw/zinc/16/52/71/672165271.db2.gz AFYCISDGALYZSD-UHFFFAOYSA-N -2 0 354.384 0.448 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)nc1 ZINC000863957796 672166529 /nfs/dbraw/zinc/16/65/29/672166529.db2.gz SSEJPDXDHMBRPC-NSHDSACASA-N -2 0 358.372 0.420 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)nc1 ZINC000863957795 672166558 /nfs/dbraw/zinc/16/65/58/672166558.db2.gz SSEJPDXDHMBRPC-LLVKDONJSA-N -2 0 358.372 0.420 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000863959285 672167414 /nfs/dbraw/zinc/16/74/14/672167414.db2.gz ZRNCQUOHHPHREP-GFCCVEGCSA-N -2 0 369.399 0.039 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cnc3ccccc3c2)O1 ZINC000863959679 672167745 /nfs/dbraw/zinc/16/77/45/672167745.db2.gz NLLGCLPCNKACQR-OLZOCXBDSA-N -2 0 350.352 0.672 20 0 FCADRL COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC=CC1 ZINC000863961452 672168560 /nfs/dbraw/zinc/16/85/60/672168560.db2.gz LUYFYBKZAKAAAM-UHFFFAOYSA-N -2 0 368.367 0.020 20 0 FCADRL CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)cc1 ZINC000863961613 672168564 /nfs/dbraw/zinc/16/85/64/672168564.db2.gz SRWXNKVUMKEDOT-UHFFFAOYSA-N -2 0 354.384 0.247 20 0 FCADRL CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)CC1 ZINC000863961609 672168583 /nfs/dbraw/zinc/16/85/83/672168583.db2.gz NXVJZXIEICNTQD-LLVKDONJSA-N -2 0 364.420 0.410 20 0 FCADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000863964637 672170448 /nfs/dbraw/zinc/17/04/48/672170448.db2.gz YKWZJMVODIZRQN-XPTSAGLGSA-N -2 0 357.388 0.150 20 0 FCADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C1CCCC1 ZINC000863964552 672170516 /nfs/dbraw/zinc/17/05/16/672170516.db2.gz WJMQZPBJHZRDOG-DGCLKSJQSA-N -2 0 371.415 0.540 20 0 FCADRL COC(=O)c1oc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1C ZINC000863965245 672170769 /nfs/dbraw/zinc/17/07/69/672170769.db2.gz VTOHMDIIAWFZCT-VIFPVBQESA-N -2 0 361.372 0.926 20 0 FCADRL CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000863965805 672171071 /nfs/dbraw/zinc/17/10/71/672171071.db2.gz MWFQZHQVVZBEDQ-UHFFFAOYSA-N -2 0 354.384 0.455 20 0 FCADRL O=Cc1c[nH]c(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000874968778 672811430 /nfs/dbraw/zinc/81/14/30/672811430.db2.gz SHOBEPKOLWKTGY-WPRPVWTQSA-N -2 0 361.276 0.564 20 0 FCADRL C[C@@H](CNC(=O)c1cnc(I)c([O-])c1)C(=O)[O-] ZINC000902022114 675822062 /nfs/dbraw/zinc/82/20/62/675822062.db2.gz LKDAGEZNKHEBCE-YFKPBYRVSA-N -2 0 350.112 0.842 20 0 FCADRL Cc1c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)nnn1-c1ccc(OC(F)F)cc1 ZINC000820289221 1203184287 /nfs/dbraw/zinc/18/42/87/1203184287.db2.gz UIQANOOCEMYBAX-UHFFFAOYSA-N -2 0 367.272 0.564 20 0 FCADRL CCO[N-]C(=O)CNc1nc2ccccc2c(NCC(=O)[N-]OCC)n1 ZINC000845713995 1204547689 /nfs/dbraw/zinc/54/76/89/1204547689.db2.gz ANIRMGWHKZKWJY-UHFFFAOYSA-N -2 0 362.390 0.589 20 0 FCADRL COC(=O)c1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(OC)c1 ZINC001222821908 1225656669 /nfs/dbraw/zinc/65/66/69/1225656669.db2.gz VHNOMSITOWIUDE-GWCFXTLKSA-N -2 0 370.310 0.061 20 0 FCADRL COC(=O)c1cc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(OC)c1 ZINC001223485599 1225709033 /nfs/dbraw/zinc/70/90/33/1225709033.db2.gz ZBENWHRFNOUOOM-DGCLKSJQSA-N -2 0 370.310 0.061 20 0 FCADRL COC(=O)c1c(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cccc1OC ZINC001224169459 1225762767 /nfs/dbraw/zinc/76/27/67/1225762767.db2.gz RWPYEARTMPXPHC-NOZJJQNGSA-N -2 0 370.310 0.061 20 0 FCADRL CC(=O)Nc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(C(C)=O)c1 ZINC001227193746 1225865990 /nfs/dbraw/zinc/86/59/90/1225865990.db2.gz ZCUOAPZLGKWSPQ-RISCZKNCSA-N -2 0 367.310 0.289 20 0 FCADRL COC(=O)c1c(C)cc(O)c(C)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001229332711 1226003064 /nfs/dbraw/zinc/00/30/64/1226003064.db2.gz JEHNMRPVGIUFLS-PELKAZGASA-N -2 0 370.310 0.237 20 0 FCADRL COc1cccc2c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc(C)nc12 ZINC001229818401 1226035833 /nfs/dbraw/zinc/03/58/33/1226035833.db2.gz NXIIRCFIWWBIJW-NOZJJQNGSA-N -2 0 364.310 0.389 20 0 FCADRL COC(=O)c1cccc(C(C)=O)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001231070725 1226098554 /nfs/dbraw/zinc/09/85/54/1226098554.db2.gz WSDVTLYKSYTIIR-ZYHUDNBSSA-N -2 0 368.294 0.118 20 0 FCADRL Cc1ccc(-n2[n-]c(C(=O)N3C[C@@H]4COC[C@@]4(C(=O)[O-])C3)cc2=O)cc1 ZINC001549304382 1267897984 /nfs/dbraw/zinc/89/79/84/1267897984.db2.gz ATEJKIMMINITHX-XIKOKIGWSA-N -2 0 357.366 0.647 20 0 FCADRL CC(C)OC(=O)C(C)(C)NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001574296557 1271173519 /nfs/dbraw/zinc/17/35/19/1271173519.db2.gz HTCTZSSFMRHZNG-UHFFFAOYSA-N -2 0 360.378 0.435 20 0 FCADRL C[C@@H](O)CN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)CC(F)F ZINC001575480109 1272149599 /nfs/dbraw/zinc/14/95/99/1272149599.db2.gz PTGBLARUTIHURB-SSDOTTSWSA-N -2 0 354.321 0.063 20 0 FCADRL CCOC(=O)CN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C(C)(C)C ZINC001578245361 1275548524 /nfs/dbraw/zinc/54/85/24/1275548524.db2.gz OCOATDPBBJZYIN-UHFFFAOYSA-N -2 0 374.405 0.779 20 0 FCADRL CC(=O)Nc1ncc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)s1 ZINC001603086527 1287307556 /nfs/dbraw/zinc/30/75/56/1287307556.db2.gz QWXYDUQBCSNPQC-UHFFFAOYSA-N -2 0 362.414 0.986 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)C1CCN(CC(F)F)CC1 ZINC001603186762 1287324578 /nfs/dbraw/zinc/32/45/78/1287324578.db2.gz BCSMVBHAVCGTAX-IUCAKERBSA-N -2 0 356.391 0.519 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC001603187959 1287325366 /nfs/dbraw/zinc/32/53/66/1287325366.db2.gz LEPZZYZLDVEYBB-RKDXNWHRSA-N -2 0 374.419 0.062 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cnc(-c2cnn(C)c2)s1 ZINC001603186925 1287325476 /nfs/dbraw/zinc/32/54/76/1287325476.db2.gz CYEYYACMTLBXFP-HTQZYQBOSA-N -2 0 372.428 0.712 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)n1 ZINC001603188072 1287325581 /nfs/dbraw/zinc/32/55/81/1287325581.db2.gz LIHQAUJGFYBDTF-GHMZBOCLSA-N -2 0 366.399 0.365 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CN1C(=O)CSc2ccccc21 ZINC001603204051 1287328881 /nfs/dbraw/zinc/32/88/81/1287328881.db2.gz HKKJGTJGBRPVOT-MRVPVSSYSA-N -2 0 358.397 0.044 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001603201505 1287329528 /nfs/dbraw/zinc/32/95/28/1287329528.db2.gz HDQBVBLSPBTZGG-PSASIEDQSA-N -2 0 362.404 0.519 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)C(=O)[O-] ZINC001603660126 1287460520 /nfs/dbraw/zinc/46/05/20/1287460520.db2.gz MWVCFVWFHORGKW-RQJHMYQMSA-N -2 0 374.337 0.000 20 0 FCADRL O=C(c1ncccc1O)N1CC[C@@H](Nc2nccnc2-c2nn[nH]n2)C1 ZINC001582751704 1281975572 /nfs/dbraw/zinc/97/55/72/1281975572.db2.gz SFTJHWFPANRATM-SECBINFHSA-N -2 0 353.346 0.084 20 0 FCADRL O=C(c1nn(-c2ccccc2F)cc1[O-])N1CCOC[C@H]1c1nnn[n-]1 ZINC001586806197 1282315242 /nfs/dbraw/zinc/31/52/42/1282315242.db2.gz POJFAHYZDHGICP-NSHDSACASA-N -2 0 359.321 0.444 20 0 FCADRL CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001604096000 1287569506 /nfs/dbraw/zinc/56/95/06/1287569506.db2.gz FMHPIUKUUPNDQV-YUMQZZPRSA-N -2 0 357.417 0.802 20 0 FCADRL CC(C)(C)c1nc([N-]S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)no1 ZINC001589243907 1282817531 /nfs/dbraw/zinc/81/75/31/1282817531.db2.gz NPEKRCWDHSIHBF-UHFFFAOYSA-N -2 0 350.364 0.743 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)CC[C@@H]1C(=O)[O-] ZINC001590314834 1283457439 /nfs/dbraw/zinc/45/74/39/1283457439.db2.gz USMKFGUSTPQZEU-SFYZADRCSA-N -2 0 357.417 0.660 20 0 FCADRL CCc1nc(C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)co1 ZINC001604548538 1287655759 /nfs/dbraw/zinc/65/57/59/1287655759.db2.gz AOUGWMUGFHTFGI-UHFFFAOYSA-N -2 0 356.302 0.522 20 0 FCADRL CO[C@H]1CCCC[C@@H]1C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001591355505 1284490556 /nfs/dbraw/zinc/49/05/56/1284490556.db2.gz ZROMBGXTXSLFMS-JQWIXIFHSA-N -2 0 373.373 0.863 20 0 FCADRL COCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001591407209 1284549122 /nfs/dbraw/zinc/54/91/22/1284549122.db2.gz HLXZKBDWFFIIHW-VIFPVBQESA-N -2 0 354.392 0.129 20 0 FCADRL COCc1ccccc1S(=O)(=O)[N-]c1c(-c2nnn[n-]2)c(C)nn1C ZINC001591460083 1284622788 /nfs/dbraw/zinc/62/27/88/1284622788.db2.gz YYPAHFRFRHUXSK-UHFFFAOYSA-N -2 0 363.403 0.856 20 0 FCADRL Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001592109515 1285143804 /nfs/dbraw/zinc/14/38/04/1285143804.db2.gz PFJDBMCOVVXDGX-NSHDSACASA-N -2 0 365.371 0.091 20 0 FCADRL Cn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC001592597611 1285532242 /nfs/dbraw/zinc/53/22/42/1285532242.db2.gz LUHPKRGNYGYQML-UHFFFAOYSA-N -2 0 356.371 0.949 20 0 FCADRL O=C(CCc1nccs1)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001592857621 1285762108 /nfs/dbraw/zinc/76/21/08/1285762108.db2.gz MJCCKFYHQVUFJL-UHFFFAOYSA-N -2 0 372.370 0.748 20 0 FCADRL O=C([O-])C1(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCC1 ZINC001593275884 1286059774 /nfs/dbraw/zinc/05/97/74/1286059774.db2.gz IMRPJLHVQFFGCT-UHFFFAOYSA-N -2 0 373.341 0.678 20 0 FCADRL O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)C[C@H]1C1CC1 ZINC001593279558 1286062877 /nfs/dbraw/zinc/06/28/77/1286062877.db2.gz QSARJORVAXZRPV-DTWKUNHWSA-N -2 0 369.428 0.660 20 0 FCADRL O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001593279411 1286063265 /nfs/dbraw/zinc/06/32/65/1286063265.db2.gz JXVBDWWVGBOTAJ-SNVBAGLBSA-N -2 0 363.355 0.434 20 0 FCADRL O=C(OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@@H]1C[C@@]12CCOC2 ZINC001593295068 1286067188 /nfs/dbraw/zinc/06/71/88/1286067188.db2.gz BRZIVJDOIRWRRW-ZUZCIYMTSA-N -2 0 357.330 0.085 20 0 FCADRL O=C(OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)c1ncoc1C1CC1 ZINC001593294530 1286067537 /nfs/dbraw/zinc/06/75/37/1286067537.db2.gz XTDKAQUBVKOPJB-UHFFFAOYSA-N -2 0 368.313 0.837 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1)c1ccn(C)n1 ZINC001598714286 1286399912 /nfs/dbraw/zinc/39/99/12/1286399912.db2.gz QOXCWMRYTPQRTE-CQSZACIVSA-N -2 0 367.383 0.240 20 0 FCADRL Cc1c([C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)C(=O)[O-])cnn1C ZINC001600009479 1286423456 /nfs/dbraw/zinc/42/34/56/1286423456.db2.gz MSAQTSRQZUTBBL-GFCCVEGCSA-N -2 0 371.346 0.670 20 0 FCADRL Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)[N-]OCCCC(=O)[O-] ZINC001600007036 1286423476 /nfs/dbraw/zinc/42/34/76/1286423476.db2.gz ALVDOOLEARIXST-UHFFFAOYSA-N -2 0 352.269 0.598 20 0 FCADRL Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)nc2n1 ZINC001600065999 1286436548 /nfs/dbraw/zinc/43/65/48/1286436548.db2.gz UCNHCGXNZNSCOP-UHFFFAOYSA-N -2 0 367.318 0.364 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)nn1C(C)(C)C ZINC001600096076 1286440303 /nfs/dbraw/zinc/44/03/03/1286440303.db2.gz AZXIDWPPHKCKMT-UHFFFAOYSA-N -2 0 372.447 0.718 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])nn1C1CCOCC1 ZINC001600096551 1286440468 /nfs/dbraw/zinc/44/04/68/1286440468.db2.gz RSIMCTLZIGABNK-UHFFFAOYSA-N -2 0 359.404 0.467 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c1C ZINC001600115338 1286443821 /nfs/dbraw/zinc/44/38/21/1286443821.db2.gz QZIUIFIPMAWZFQ-GFCCVEGCSA-N -2 0 367.383 0.699 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2cc(C)cc(C(N)=O)c2)cnn1CC(=O)[O-] ZINC001600145098 1286447073 /nfs/dbraw/zinc/44/70/73/1286447073.db2.gz IZXJMNCTJYLFDJ-UHFFFAOYSA-N -2 0 352.372 0.484 20 0 FCADRL Cc1cc([C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C(=O)[O-])ccc1F ZINC001600148451 1286448126 /nfs/dbraw/zinc/44/81/26/1286448126.db2.gz BENJAHKOVTZDQI-ZDUSSCGKSA-N -2 0 359.317 0.461 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)cc2=O)n1 ZINC001600181738 1286451044 /nfs/dbraw/zinc/45/10/44/1286451044.db2.gz NKTWUJDJHXHQQB-QWHCGFSZSA-N -2 0 371.397 0.755 20 0 FCADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001600224803 1286454743 /nfs/dbraw/zinc/45/47/43/1286454743.db2.gz QITFQEGZTRPAGC-UFBFGSQYSA-N -2 0 361.347 0.600 20 0 FCADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC2(C(=O)[O-])CC(CO)C2)n1 ZINC001600231703 1286457159 /nfs/dbraw/zinc/45/71/59/1286457159.db2.gz FQNCXJKNYKVPDW-UHFFFAOYSA-N -2 0 363.345 0.981 20 0 FCADRL Cc1cc(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)ccc1C(=O)[O-] ZINC001600293031 1286469175 /nfs/dbraw/zinc/46/91/75/1286469175.db2.gz APOUOMRGFGPURA-UHFFFAOYSA-N -2 0 356.400 0.474 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)Sc2nncn2C)oc1C(=O)[O-] ZINC001600296256 1286471647 /nfs/dbraw/zinc/47/16/47/1286471647.db2.gz VGHQTGCMWBQFIW-SSDOTTSWSA-N -2 0 374.400 0.400 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC(=O)N(C)C)c2)oc1C(=O)[O-] ZINC001600301424 1286472650 /nfs/dbraw/zinc/47/26/50/1286472650.db2.gz HIHBZCMSKRKYAW-UHFFFAOYSA-N -2 0 356.360 0.372 20 0 FCADRL Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cc1 ZINC001600412001 1286484358 /nfs/dbraw/zinc/48/43/58/1286484358.db2.gz VEARKUFIYUPDHN-CYBMUJFWSA-N -2 0 368.411 0.407 20 0 FCADRL Cc1ccc(CN2C(=O)CC[C@H]2C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1 ZINC001600411647 1286484653 /nfs/dbraw/zinc/48/46/53/1286484653.db2.gz MIBLKERZQGSXCE-AAEUAGOBSA-N -2 0 368.411 0.405 20 0 FCADRL Cc1ccc(NC(=O)CS[C@@H](C)C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1 ZINC001600449337 1286489796 /nfs/dbraw/zinc/48/97/96/1286489796.db2.gz WTLCMUOGRFLGDA-JTQLQIEISA-N -2 0 374.440 0.586 20 0 FCADRL Cc1cccc(S(=O)(=O)N2CC3(CCOCC3)[C@@H]2C(=O)[O-])c1C(=O)[O-] ZINC001600547789 1286505456 /nfs/dbraw/zinc/50/54/56/1286505456.db2.gz OMXYSPGVOUZPMY-ZDUSSCGKSA-N -2 0 369.395 0.948 20 0 FCADRL Cc1cccc2nc(CC[N-]S(=O)(=O)c3cc(C(=O)[O-])no3)cn21 ZINC001600560206 1286507587 /nfs/dbraw/zinc/50/75/87/1286507587.db2.gz JAMAFOWJQSYBLS-UHFFFAOYSA-N -2 0 350.356 0.850 20 0 FCADRL Cc1ccccc1CCNC(=O)CS(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001600579837 1286509436 /nfs/dbraw/zinc/50/94/36/1286509436.db2.gz MOQYATXQOMEIBX-UHFFFAOYSA-N -2 0 351.384 0.549 20 0 FCADRL Cc1cn(C)nc1C(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001600611525 1286514305 /nfs/dbraw/zinc/51/43/05/1286514305.db2.gz MELJOFVLXMORMS-UHFFFAOYSA-N -2 0 355.347 0.613 20 0 FCADRL Cc1cn2ccnc(C(=O)[N-]S(=O)(=O)c3scnc3C(=O)[O-])c2n1 ZINC001600614583 1286515161 /nfs/dbraw/zinc/51/51/61/1286515161.db2.gz FIKVBXPIKNMMOT-UHFFFAOYSA-N -2 0 367.368 0.311 20 0 FCADRL Cc1nc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])nn1-c1ccccc1 ZINC001600684844 1286527149 /nfs/dbraw/zinc/52/71/49/1286527149.db2.gz AKODRPUAXRSZMM-VHSXEESVSA-N -2 0 366.399 0.745 20 0 FCADRL Cc1nc2ccccc2n1CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-] ZINC001600729050 1286533383 /nfs/dbraw/zinc/53/33/83/1286533383.db2.gz GEUCYMCZMPTNJC-UWVGGRQHSA-N -2 0 353.400 0.900 20 0 FCADRL Cc1ncc(S(=O)(=O)[N-]c2ccc(CC(=O)NCC(=O)[O-])cc2)s1 ZINC001600746743 1286536615 /nfs/dbraw/zinc/53/66/15/1286536615.db2.gz HZNBBKYJLUENRV-UHFFFAOYSA-N -2 0 369.424 0.996 20 0 FCADRL Cc1nn(C)c(C)c1[C@H](C)C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001600769468 1286541030 /nfs/dbraw/zinc/54/10/30/1286541030.db2.gz ZMRAZZZMVPPCSJ-LURJTMIESA-N -2 0 372.428 0.800 20 0 FCADRL Cc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001600776173 1286542149 /nfs/dbraw/zinc/54/21/49/1286542149.db2.gz LCEGWEPNXOVNQQ-UHFFFAOYSA-N -2 0 355.347 0.613 20 0 FCADRL Cc1nn(CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1-c1ccccc1 ZINC001600781183 1286543415 /nfs/dbraw/zinc/54/34/15/1286543415.db2.gz XJMFSMNLKSSFAF-NSHDSACASA-N -2 0 351.384 0.778 20 0 FCADRL Cc1nnnn1-c1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC001600800697 1286547721 /nfs/dbraw/zinc/54/77/21/1286547721.db2.gz PYCCLBMAZHSRBG-RKDXNWHRSA-N -2 0 367.387 0.140 20 0 FCADRL Cc1oc(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600845468 1286555835 /nfs/dbraw/zinc/55/58/35/1286555835.db2.gz CBDDEZFINZRSRJ-PELKAZGASA-N -2 0 352.343 0.472 20 0 FCADRL Cc1oc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)cc1C(=O)[O-] ZINC001600857488 1286558994 /nfs/dbraw/zinc/55/89/94/1286558994.db2.gz LKLNWLVBFFXPKW-UHFFFAOYSA-N -2 0 356.360 0.678 20 0 FCADRL Cn1cc(Br)cc1C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001600927656 1286571970 /nfs/dbraw/zinc/57/19/70/1286571970.db2.gz YLMQKLUOSASYHY-UHFFFAOYSA-N -2 0 367.221 0.958 20 0 FCADRL Cn1cc(C[C@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2)C(=O)[O-])cn1 ZINC001600947767 1286577688 /nfs/dbraw/zinc/57/76/88/1286577688.db2.gz NYGWSFMKJNBFDR-LBPRGKRZSA-N -2 0 353.356 0.093 20 0 FCADRL Cn1cc(C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)C(=O)[O-])cn1 ZINC001600948494 1286578168 /nfs/dbraw/zinc/57/81/68/1286578168.db2.gz UUPPPMWQMPXWEF-SECBINFHSA-N -2 0 359.385 0.154 20 0 FCADRL Cn1cc(N2CCC[C@@H](NS(=O)(=O)c3csnc3C(=O)[O-])C2)cn1 ZINC001600959212 1286580276 /nfs/dbraw/zinc/58/02/76/1286580276.db2.gz UIENVMJKAPHJAC-SECBINFHSA-N -2 0 371.444 0.522 20 0 FCADRL Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)cc1C(=O)[O-] ZINC001600968643 1286585310 /nfs/dbraw/zinc/58/53/10/1286585310.db2.gz YGKBWTGBZYSLQJ-LBPRGKRZSA-N -2 0 354.340 0.533 20 0 FCADRL Cn1nc(C2CC2)nc1CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001601008218 1286596664 /nfs/dbraw/zinc/59/66/64/1286596664.db2.gz FIJULZKATWUCSS-UHFFFAOYSA-N -2 0 354.344 0.031 20 0 FCADRL Cn1nnc2c1nccc2C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001601040737 1286619178 /nfs/dbraw/zinc/61/91/78/1286619178.db2.gz GWGSYMBCTJJKMA-UHFFFAOYSA-N -2 0 367.368 0.242 20 0 FCADRL NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)s1 ZINC001601163042 1286668195 /nfs/dbraw/zinc/66/81/95/1286668195.db2.gz XBLCCXYBJSEFRD-UHFFFAOYSA-N -2 0 368.392 0.805 20 0 FCADRL O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001601271528 1286710110 /nfs/dbraw/zinc/71/01/10/1286710110.db2.gz FFKWQJOIHHCYCZ-QGZVFWFLSA-N -2 0 360.370 0.724 20 0 FCADRL O=C([O-])[C@H](CNC(=O)CSc1n[nH]c(=O)[n-]1)Cc1ccc(O)cc1 ZINC001601349558 1286732722 /nfs/dbraw/zinc/73/27/22/1286732722.db2.gz LLXAOBQOXNLTNB-VIFPVBQESA-N -2 0 352.372 0.368 20 0 FCADRL O=C([O-])c1cnc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCCO3)[n-]1 ZINC001601346761 1286733128 /nfs/dbraw/zinc/73/31/28/1286733128.db2.gz BMKMNQJERIIIOJ-UHFFFAOYSA-N -2 0 367.339 0.292 20 0 FCADRL O=C([O-])[C@H](NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)c1ccsc1 ZINC001601407509 1286741082 /nfs/dbraw/zinc/74/10/82/1286741082.db2.gz ZSDHCXHYKVOMLU-LLVKDONJSA-N -2 0 360.351 0.883 20 0 FCADRL O=C([O-])[C@@]1(CNC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)CCOC1 ZINC001601473015 1286757810 /nfs/dbraw/zinc/75/78/10/1286757810.db2.gz QBDFXNCCSVCAHJ-CYBMUJFWSA-N -2 0 364.276 0.679 20 0 FCADRL O=C([O-])c1ccc(OCCNC(=O)NCC2(C(=O)[O-])CCOCC2)cc1 ZINC001601505285 1286771773 /nfs/dbraw/zinc/77/17/73/1286771773.db2.gz MLSCIVBMCSYXKR-UHFFFAOYSA-N -2 0 366.370 0.944 20 0 FCADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC001601803977 1286838890 /nfs/dbraw/zinc/83/88/90/1286838890.db2.gz IQGIHERHPFKGEZ-RKDXNWHRSA-N -2 0 365.358 0.844 20 0 FCADRL O=C([O-])[C@@H]1N(S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CC12CCOCC2 ZINC001601811563 1286840497 /nfs/dbraw/zinc/84/04/97/1286840497.db2.gz YHFAMUXQBMKDPF-UTUOFQBUSA-N -2 0 361.416 0.525 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)c1ccccn1 ZINC001601908257 1286866108 /nfs/dbraw/zinc/86/61/08/1286866108.db2.gz CQBVUWTXPPXDAT-GFCCVEGCSA-N -2 0 351.340 0.669 20 0 FCADRL O=C([O-])C[C@H](NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)c1ccncc1 ZINC001601904182 1286866747 /nfs/dbraw/zinc/86/67/47/1286866747.db2.gz ACCBEXCRPQZVGP-ZDUSSCGKSA-N -2 0 369.337 0.607 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC001601914661 1286870428 /nfs/dbraw/zinc/87/04/28/1286870428.db2.gz HIYHGLULYQLJBY-LBPRGKRZSA-N -3 0 363.369 0.386 20 0 FCADRL O=C([O-])C[C@@]1(NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CCCOC1 ZINC001601932383 1286874763 /nfs/dbraw/zinc/87/47/63/1286874763.db2.gz YKFTVHGSJIHBLX-INIZCTEOSA-N -2 0 362.342 0.020 20 0 FCADRL O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)NCCc2cccc(C(=O)[O-])c2)C1 ZINC001601949683 1286881835 /nfs/dbraw/zinc/88/18/35/1286881835.db2.gz UWTPTXRXWILWGX-ZDUSSCGKSA-N -2 0 362.382 0.757 20 0 FCADRL O=C([O-])C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(C(=O)[O-])s2)C1 ZINC001601949546 1286881874 /nfs/dbraw/zinc/88/18/74/1286881874.db2.gz JWCRTTYJTFUVQB-SECBINFHSA-N -2 0 354.384 0.776 20 0 FCADRL O=C([O-])C[C@H]1CCCN(C(=O)C(=O)NCCc2cccc(C(=O)[O-])c2)C1 ZINC001601949682 1286882617 /nfs/dbraw/zinc/88/26/17/1286882617.db2.gz UWTPTXRXWILWGX-CYBMUJFWSA-N -2 0 362.382 0.757 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC001601998991 1286893086 /nfs/dbraw/zinc/89/30/86/1286893086.db2.gz DOPSZWOFJOSMFN-ZDUSSCGKSA-N -2 0 357.384 0.779 20 0 FCADRL O=C([O-])CCNC(=O)C(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001602013940 1286899648 /nfs/dbraw/zinc/89/96/48/1286899648.db2.gz FOUMESCUTCQROR-QMMMGPOBSA-N -2 0 355.372 0.138 20 0 FCADRL O=C([O-])CCNC(=O)CC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC001602019622 1286904309 /nfs/dbraw/zinc/90/43/09/1286904309.db2.gz NAFMMEDKCVAKIR-UHFFFAOYSA-N -2 0 370.761 0.878 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)CCCNC(=O)c1ccc(F)cc1 ZINC001602027323 1286907891 /nfs/dbraw/zinc/90/78/91/1286907891.db2.gz BAHYTWQOSUSDGE-UHFFFAOYSA-N -2 0 360.363 0.256 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)C[C@H](c1ccccc1)N1CCOC1=O ZINC001602027649 1286908764 /nfs/dbraw/zinc/90/87/64/1286908764.db2.gz IREXOXHEKMAFGH-GFCCVEGCSA-N -2 0 370.383 0.491 20 0 FCADRL O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)[N-]OC2CCCCC2)cc1 ZINC001602072865 1286928110 /nfs/dbraw/zinc/92/81/10/1286928110.db2.gz IZQQNZCDOFPMPX-UHFFFAOYSA-N -2 0 363.370 0.820 20 0 FCADRL O=C([O-])CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccco2)cc1 ZINC001602075343 1286929024 /nfs/dbraw/zinc/92/90/24/1286929024.db2.gz ZPTXSLYGOJWGKX-UHFFFAOYSA-N -2 0 360.369 0.443 20 0 FCADRL O=C([O-])CNC(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)cc1 ZINC001602075209 1286929091 /nfs/dbraw/zinc/92/90/91/1286929091.db2.gz WAKRZAKMKKWZIY-GFCCVEGCSA-N -2 0 370.383 0.033 20 0 FCADRL O=C([O-])COCC(=O)Nc1n[nH]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001602078337 1286929848 /nfs/dbraw/zinc/92/98/48/1286929848.db2.gz ZTZZGYOWNXAVCY-UHFFFAOYSA-N -2 0 373.774 0.936 20 0 FCADRL O=C([O-])COc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCCC2)cc1F ZINC001602090569 1286931913 /nfs/dbraw/zinc/93/19/13/1286931913.db2.gz JPXOTBYOUSDIKV-UHFFFAOYSA-N -2 0 361.347 0.965 20 0 FCADRL O=C([O-])CSCC(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC001602097562 1286934127 /nfs/dbraw/zinc/93/41/27/1286934127.db2.gz SRIMNXLWTUJIPQ-UHFFFAOYSA-N -2 0 354.384 0.978 20 0 FCADRL O=C([O-])Cc1ccc(CCNS(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC001602118897 1286940695 /nfs/dbraw/zinc/94/06/95/1286940695.db2.gz QKBOSLZAVRELBF-UHFFFAOYSA-N -2 0 370.408 0.989 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]C(=O)CCOCC(F)F)cc1F ZINC001602131648 1286944106 /nfs/dbraw/zinc/94/41/06/1286944106.db2.gz FOUMIMLNTQZYSK-UHFFFAOYSA-N -2 0 369.317 0.930 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)[O-])s1 ZINC001602131841 1286944775 /nfs/dbraw/zinc/94/47/75/1286944775.db2.gz PSYFOABWQMDGNI-SCZZXKLOSA-N -2 0 363.413 0.533 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)NCc2nc(C(=O)[O-])cs2)cc1 ZINC001602133631 1286946163 /nfs/dbraw/zinc/94/61/63/1286946163.db2.gz RWVLDAQQWVHSQK-UHFFFAOYSA-N -2 0 356.381 0.947 20 0 FCADRL COc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001609351154 1289114385 /nfs/dbraw/zinc/11/43/85/1289114385.db2.gz DTZKBUHOXJPXMN-UHFFFAOYSA-N -2 0 364.343 0.702 20 0 FCADRL O=C([O-])[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001602169803 1286956066 /nfs/dbraw/zinc/95/60/66/1286956066.db2.gz RCVVKNCOKMITGS-CYBMUJFWSA-N -2 0 371.411 0.952 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@]2(CO)CCc3ccccc32)on1 ZINC001602294686 1286984978 /nfs/dbraw/zinc/98/49/78/1286984978.db2.gz XAMNTSKJHYVAMP-OAHLLOKOSA-N -2 0 352.368 0.528 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)n[nH]1 ZINC001602293989 1286985340 /nfs/dbraw/zinc/98/53/40/1286985340.db2.gz UENIRRFWEFPAHR-SVRRBLITSA-N -2 0 357.310 0.886 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)NC[C@H](Cc2cccnc2)C(=O)[O-])c[nH]1 ZINC001602294860 1286985509 /nfs/dbraw/zinc/98/55/09/1286985509.db2.gz ZMVUIUSUHNKNDO-JTQLQIEISA-N -2 0 353.356 0.330 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CCN2C(=O)COc3ccccc32)on1 ZINC001602296196 1286986020 /nfs/dbraw/zinc/98/60/20/1286986020.db2.gz VKBMRJLOGASPTG-UHFFFAOYSA-N -2 0 367.339 0.077 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CC3(CCOCC3)[C@H]2C(=O)[O-])cc1 ZINC001602393054 1286993739 /nfs/dbraw/zinc/99/37/39/1286993739.db2.gz MTGSNYJOFWPWAB-GFCCVEGCSA-N -2 0 355.368 0.639 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)c(F)c1 ZINC001602394450 1286993784 /nfs/dbraw/zinc/99/37/84/1286993784.db2.gz UVEMGKPSSDLATL-JOYOIKCWSA-N -2 0 361.347 0.370 20 0 FCADRL O=C([O-])c1cccc(CCNS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC001602435671 1287001076 /nfs/dbraw/zinc/00/10/76/1287001076.db2.gz KSKRWEOXVYORNL-YPMHNXCESA-N -2 0 356.400 0.885 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)NCCc1cccc(C(=O)[O-])n1 ZINC001602436773 1287001551 /nfs/dbraw/zinc/00/15/51/1287001551.db2.gz LFBYNIBFVOEYJC-UHFFFAOYSA-N -2 0 357.369 0.456 20 0 FCADRL O=C([O-])c1cccc(CCNS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])n1 ZINC001602435668 1287001830 /nfs/dbraw/zinc/00/18/30/1287001830.db2.gz KSKRWEOXVYORNL-AAEUAGOBSA-N -2 0 356.400 0.885 20 0 FCADRL O=C([O-])c1cccc2c1OCCN(C(=O)Cn1[n-]cc3c(=O)ncnc1-3)C2 ZINC001602460066 1287004777 /nfs/dbraw/zinc/00/47/77/1287004777.db2.gz FTKZEEROERBEKX-UHFFFAOYSA-N -2 0 369.337 0.191 20 0 FCADRL O=C([O-])c1csc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccccc2)c1 ZINC001602563059 1287025723 /nfs/dbraw/zinc/02/57/23/1287025723.db2.gz MTPQXMDSBDOGJS-VXGBXAGGSA-N -2 0 371.392 0.911 20 0 FCADRL O=C([O-])c1csc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@]3(CCOC3)C2)c1 ZINC001602563749 1287026893 /nfs/dbraw/zinc/02/68/93/1287026893.db2.gz JCEJABVCEXYNOW-ZANVPECISA-N -2 0 361.397 0.558 20 0 FCADRL O=C([O-])c1nccc(N[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)n1 ZINC001602575381 1287029247 /nfs/dbraw/zinc/02/92/47/1287029247.db2.gz WEQAFVOJXWSYJW-DGCLKSJQSA-N -2 0 356.338 0.435 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC001602597668 1287033710 /nfs/dbraw/zinc/03/37/10/1287033710.db2.gz VYPIUXIMTLLTGA-ISVAXAHUSA-N -2 0 361.397 0.558 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC001602599330 1287033829 /nfs/dbraw/zinc/03/38/29/1287033829.db2.gz UDSWMCJNSVXEDM-CBLAIPOGSA-N -2 0 373.408 0.493 20 0 FCADRL O=C([O-])c1coc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 ZINC001602647600 1287047287 /nfs/dbraw/zinc/04/72/87/1287047287.db2.gz GJVXBEAXQCGNKV-UHFFFAOYSA-N -2 0 364.335 0.981 20 0 FCADRL O=C([O-])C(F)=C(Nc1ccc2c(c1)OCO2)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001602656690 1287052591 /nfs/dbraw/zinc/05/25/91/1287052591.db2.gz RUNIGBYLQQNPNR-VIFPVBQESA-N -2 0 367.314 0.035 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CC(C)(C(=O)[O-])C2)c1 ZINC001603073510 1287202923 /nfs/dbraw/zinc/20/29/23/1287202923.db2.gz FQFWCRARAGJTCH-UHFFFAOYSA-N -2 0 369.399 0.563 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)C1=O ZINC001605135483 1287892119 /nfs/dbraw/zinc/89/21/19/1287892119.db2.gz OERHSHPBURCDKK-AWEZNQCLSA-N -2 0 355.372 0.607 20 0 FCADRL CCN(CC)S(=O)(=O)[N-]C(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001605432522 1287961705 /nfs/dbraw/zinc/96/17/05/1287961705.db2.gz NDKSYZSUGANEEG-VIFPVBQESA-N -2 0 367.424 0.057 20 0 FCADRL CCO[C@@H]1C[C@@](NS(=O)(=O)CC2(C(=O)[O-])CCC2)(C(=O)[O-])C1(C)C ZINC001605606557 1288030670 /nfs/dbraw/zinc/03/06/70/1288030670.db2.gz VEMWCWLFCLOLCK-MEBBXXQBSA-N -2 0 363.432 0.819 20 0 FCADRL CCc1ccc(N2C[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])CC2=O)cc1 ZINC001605816424 1288092580 /nfs/dbraw/zinc/09/25/80/1288092580.db2.gz ORTDPEBSSVYWSX-ZYHUDNBSSA-N -2 0 368.411 0.521 20 0 FCADRL CCn1ncc(C(=O)[N-]S(=O)(=O)c2ccc(OC)cc2CC(=O)[O-])n1 ZINC001605941061 1288106422 /nfs/dbraw/zinc/10/64/22/1288106422.db2.gz GCRNLWQDAQUNDF-UHFFFAOYSA-N -2 0 368.371 0.052 20 0 FCADRL CCn1nnnc1-c1cccc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])c1 ZINC001605952232 1288110862 /nfs/dbraw/zinc/11/08/62/1288110862.db2.gz TZICQWLHQXKJLY-UHFFFAOYSA-N -2 0 362.346 0.211 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC001606105427 1288167725 /nfs/dbraw/zinc/16/77/25/1288167725.db2.gz JODJDMRRDOFIQR-OLZOCXBDSA-N -2 0 362.448 0.993 20 0 FCADRL Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609471245 1289168779 /nfs/dbraw/zinc/16/87/79/1289168779.db2.gz CXQIQFLGMCIAMM-UHFFFAOYSA-N -2 0 354.373 0.729 20 0 FCADRL COC(=O)CCCO[N-]C(=O)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001606452998 1288325645 /nfs/dbraw/zinc/32/56/45/1288325645.db2.gz MHUIMFNVSDMXMP-UHFFFAOYSA-N -2 0 359.722 0.373 20 0 FCADRL Cn1ccc(CCC(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)n1 ZINC001609479763 1289172777 /nfs/dbraw/zinc/17/27/77/1289172777.db2.gz MFLIMVLNVJKLAQ-UHFFFAOYSA-N -2 0 369.345 0.025 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N(C)CCC(=O)[O-])c(C(=O)[O-])s1 ZINC001606565401 1288387534 /nfs/dbraw/zinc/38/75/34/1288387534.db2.gz YYKLECMKUKTBIF-UHFFFAOYSA-N -2 0 351.358 0.328 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N(CC(=O)[O-])CC2CC2)c1 ZINC001606579056 1288392040 /nfs/dbraw/zinc/39/20/40/1288392040.db2.gz IVSDMCIMFPKWRC-UHFFFAOYSA-N -2 0 371.367 0.657 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-] ZINC001606583111 1288395299 /nfs/dbraw/zinc/39/52/99/1288395299.db2.gz HSJXMDQAPZNBPL-YUMQZZPRSA-N -2 0 359.356 0.559 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)NCC(C)(C)CC(=O)[O-] ZINC001606583552 1288395528 /nfs/dbraw/zinc/39/55/28/1288395528.db2.gz QTVHHZWSGBAQSV-UHFFFAOYSA-N -2 0 373.383 0.951 20 0 FCADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc(C)n(C)n1 ZINC001606638549 1288419819 /nfs/dbraw/zinc/41/98/19/1288419819.db2.gz SUZOEFQHJDHLFH-UHFFFAOYSA-N -2 0 360.373 0.471 20 0 FCADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C(=O)[O-] ZINC001606638069 1288420148 /nfs/dbraw/zinc/42/01/48/1288420148.db2.gz MYLIUVCAMRHDMW-RXMQYKEDSA-N -2 0 351.358 0.232 20 0 FCADRL COC(=O)c1sc(C)cc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001606638619 1288420169 /nfs/dbraw/zinc/42/01/69/1288420169.db2.gz XGMGWNBPZJNJRL-UHFFFAOYSA-N -2 0 359.385 0.925 20 0 FCADRL COC(C)(C)c1nc(C)c(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])s1 ZINC001606657368 1288427384 /nfs/dbraw/zinc/42/73/84/1288427384.db2.gz ASIHQZMWJOPOAW-UHFFFAOYSA-N -2 0 350.418 0.867 20 0 FCADRL CO[C@H](CS(=O)(=O)[N-]c1nc(CC(=O)[O-])cs1)[C@H]1CCOC1 ZINC001606683624 1288438537 /nfs/dbraw/zinc/43/85/37/1288438537.db2.gz XVPVVZHZWUQURS-WCBMZHEXSA-N -2 0 350.418 0.563 20 0 FCADRL COCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001606777564 1288508500 /nfs/dbraw/zinc/50/85/00/1288508500.db2.gz UXZNDCRYUOGBGF-UHFFFAOYSA-N -2 0 359.400 0.800 20 0 FCADRL COC[C@@](C)([N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F)C(=O)[O-] ZINC001606791227 1288520311 /nfs/dbraw/zinc/52/03/11/1288520311.db2.gz IHVJODDWIJZYOI-IPQOISQHSA-N -2 0 368.408 0.607 20 0 FCADRL COC[C@H](NS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21)C(=O)[O-] ZINC001606819069 1288531989 /nfs/dbraw/zinc/53/19/89/1288531989.db2.gz QMSQFMBCAVBWKY-LBPRGKRZSA-N -2 0 353.352 0.916 20 0 FCADRL O=C(NCc1n[nH]c(=O)[n-]1)c1cccc(-c2nn[nH]n2)c1Br ZINC001606844980 1288538656 /nfs/dbraw/zinc/53/86/56/1288538656.db2.gz QRVXOMGLMMHIJZ-UHFFFAOYSA-N -2 0 365.151 0.383 20 0 FCADRL COCCOc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c(Cl)c1 ZINC001606913761 1288561336 /nfs/dbraw/zinc/56/13/36/1288561336.db2.gz RTQHQTGGZNSTNS-MRVPVSSYSA-N -2 0 365.791 0.898 20 0 FCADRL COCCn1cc(S(=O)(=O)[N-]c2ccc3[nH]nc(C(=O)[O-])c3c2)cn1 ZINC001606931628 1288568885 /nfs/dbraw/zinc/56/88/85/1288568885.db2.gz NJKLDRXWAZGWLS-UHFFFAOYSA-N -2 0 365.371 0.905 20 0 FCADRL O=C([O-])[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)c1cccc(F)c1 ZINC001606960879 1288576417 /nfs/dbraw/zinc/57/64/17/1288576417.db2.gz UMIKVAWMGMSZJK-NSHDSACASA-N -2 0 367.318 0.703 20 0 FCADRL COCn1nc(C)c(S(=O)(=O)[N-]c2cnn(C(C)(C)C(=O)[O-])c2)c1C ZINC001606985433 1288581072 /nfs/dbraw/zinc/58/10/72/1288581072.db2.gz SIXLKURWHJZMMI-UHFFFAOYSA-N -2 0 371.419 0.921 20 0 FCADRL COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2cn(C)nn2)c1OC ZINC001607154070 1288674899 /nfs/dbraw/zinc/67/48/99/1288674899.db2.gz SKRFMQJRWUAHRK-SNAWJCMRSA-N -2 0 368.371 0.731 20 0 FCADRL COc1cc(S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc(C(=O)[O-])c1OC ZINC001607190701 1288681952 /nfs/dbraw/zinc/68/19/52/1288681952.db2.gz MQRDBISEZGVHQB-IAZYJMLFSA-N -2 0 371.367 0.353 20 0 FCADRL COc1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c(C(=O)[O-])c1 ZINC001607269970 1288691433 /nfs/dbraw/zinc/69/14/33/1288691433.db2.gz FBZZKOVUDYNVIL-KOLCDFICSA-N -2 0 364.354 0.901 20 0 FCADRL CS(=O)(=O)[N-]c1ccccc1C(=O)N[C@H](CCC1OCCO1)C(=O)[O-] ZINC001607376245 1288702066 /nfs/dbraw/zinc/70/20/66/1288702066.db2.gz UGHDICJDCRXDSF-GFCCVEGCSA-N -2 0 372.399 0.394 20 0 FCADRL CSCC[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)CCCC(=O)[O-] ZINC001607399031 1288704618 /nfs/dbraw/zinc/70/46/18/1288704618.db2.gz VVOIWVDNSOAPOC-BDAKNGLRSA-N -2 0 357.475 0.762 20 0 FCADRL C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cc(C(=O)[O-])nn1C ZINC001607482696 1288718453 /nfs/dbraw/zinc/71/84/53/1288718453.db2.gz QGPHZQQOWVYZGG-YUMQZZPRSA-N -2 0 362.308 0.790 20 0 FCADRL Cc1cc(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001607576889 1288727113 /nfs/dbraw/zinc/72/71/13/1288727113.db2.gz XSZRTPYHTWWJOA-ZCFIWIBFSA-N -2 0 360.248 0.880 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])ccc1-n1cnnn1 ZINC001607579992 1288727170 /nfs/dbraw/zinc/72/71/70/1288727170.db2.gz MPCKAGNAXWUYJZ-VHSXEESVSA-N -2 0 367.387 0.140 20 0 FCADRL Cc1cc(C)c(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c(C)c1CC(=O)[O-] ZINC001607622462 1288730882 /nfs/dbraw/zinc/73/08/82/1288730882.db2.gz WUGWNSPEIIVJBS-CYBMUJFWSA-N -2 0 371.411 0.713 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)Oc2ccccn2)oc1C(=O)[O-] ZINC001607703228 1288735008 /nfs/dbraw/zinc/73/50/08/1288735008.db2.gz WIOUUDVFEVMNNX-SECBINFHSA-N -2 0 354.340 0.954 20 0 FCADRL Cc1nc(CCNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)sc1C(=O)[O-] ZINC001607954439 1288750351 /nfs/dbraw/zinc/75/03/51/1288750351.db2.gz IOPXENVHMNVQKM-UHFFFAOYSA-N -2 0 359.385 0.697 20 0 FCADRL Cc1sc(=O)n(CCC(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1C ZINC001608058511 1288763382 /nfs/dbraw/zinc/76/33/82/1288763382.db2.gz NTJKOLIZMVSAST-UHFFFAOYSA-N -2 0 374.396 0.713 20 0 FCADRL Cn1cc(C(N)=O)c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC001608106368 1288769032 /nfs/dbraw/zinc/76/90/32/1288769032.db2.gz UOMJYEFPCZERKX-UHFFFAOYSA-N -2 0 358.763 0.671 20 0 FCADRL Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)C(F)(F)F ZINC001608130915 1288776922 /nfs/dbraw/zinc/77/69/22/1288776922.db2.gz BZSRNUYJLNYKMD-SSDOTTSWSA-N -2 0 354.266 0.688 20 0 FCADRL Cn1[n-]c(C(F)(F)F)nc1=NS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001608145436 1288780756 /nfs/dbraw/zinc/78/07/56/1288780756.db2.gz KHSYAICAXLKEPR-UHFFFAOYSA-N -2 0 364.305 0.896 20 0 FCADRL Cn1nc([C@H]2CCCO2)cc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001608149055 1288782050 /nfs/dbraw/zinc/78/20/50/1288782050.db2.gz VKGUDRKVVAPMLP-LLVKDONJSA-N -2 0 355.376 0.354 20 0 FCADRL Cn1nnc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)n1 ZINC001608168474 1288786350 /nfs/dbraw/zinc/78/63/50/1288786350.db2.gz WXARXQKJKLUEDT-UHFFFAOYSA-N -2 0 362.165 0.472 20 0 FCADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2COC(=O)C2)c1F ZINC001608296036 1288814290 /nfs/dbraw/zinc/81/42/90/1288814290.db2.gz APVWUKCFUFEAJB-LURJTMIESA-N -2 0 363.294 0.421 20 0 FCADRL O=C([O-])c1c(Cl)cccc1S(=O)(=O)[N-]C(=O)C[C@@H]1COC(=O)C1 ZINC001608297847 1288814835 /nfs/dbraw/zinc/81/48/35/1288814835.db2.gz XGBPHJNHEZKWCC-ZETCQYMHSA-N -2 0 361.759 0.796 20 0 FCADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C(=O)CC2OCCO2)c1F ZINC001608297981 1288814952 /nfs/dbraw/zinc/81/49/52/1288814952.db2.gz MJOWNSRLUWFADI-UHFFFAOYSA-N -2 0 351.283 0.231 20 0 FCADRL O=C([O-])C1(NC(=O)c2ccc3oc(=S)[n-]c3c2)CCS(=O)(=O)CC1 ZINC001608406587 1288835103 /nfs/dbraw/zinc/83/51/03/1288835103.db2.gz XPXBIWSTLGNZPB-UHFFFAOYSA-N -2 0 370.408 0.878 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)c1ccc2nsnc2c1 ZINC001608484589 1288849242 /nfs/dbraw/zinc/84/92/42/1288849242.db2.gz CNXBHRUFVQXZCL-UHFFFAOYSA-N -2 0 370.393 0.965 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)N2CC[C@H]([C@H]3CCCO3)[C@@H]2C(=O)[O-])CC1 ZINC001608681527 1288863036 /nfs/dbraw/zinc/86/30/36/1288863036.db2.gz UUDXXGNNQDLFLR-NQBHXWOUSA-N -2 0 361.416 0.525 20 0 FCADRL O=C([O-])CCCCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001608712759 1288868115 /nfs/dbraw/zinc/86/81/15/1288868115.db2.gz QKGIHRMLPCZCPI-ZIAGYGMSSA-N -2 0 362.382 0.684 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cc(Cl)ccc1-n1cncn1 ZINC001608718451 1288869366 /nfs/dbraw/zinc/86/93/66/1288869366.db2.gz UKBUVQHAZSOTOG-UHFFFAOYSA-N -2 0 372.790 0.845 20 0 FCADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)n1 ZINC001608793096 1288874435 /nfs/dbraw/zinc/87/44/35/1288874435.db2.gz SIOLGPYZSYSVBX-VIFPVBQESA-N -2 0 358.401 0.729 20 0 FCADRL O=C([O-])Cc1nc(NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)n[nH]1 ZINC001608793470 1288874740 /nfs/dbraw/zinc/87/47/40/1288874740.db2.gz WDRBMKVGAGLUCH-UHFFFAOYSA-N -2 0 360.355 0.069 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H](O)Cc2cccc(Cl)c2)on1 ZINC001608861035 1288877372 /nfs/dbraw/zinc/87/73/72/1288877372.db2.gz LXZPPZQWLRSXSO-JTQLQIEISA-N -2 0 360.775 0.908 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC001608931964 1288880229 /nfs/dbraw/zinc/88/02/29/1288880229.db2.gz FJTGABDPBGECFH-LBPRGKRZSA-N -2 0 366.399 0.918 20 0 FCADRL CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001609621664 1289265493 /nfs/dbraw/zinc/26/54/93/1289265493.db2.gz UQTAQJKULCGDIU-UHFFFAOYSA-N -2 0 362.429 0.948 20 0 FCADRL CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001609621795 1289266081 /nfs/dbraw/zinc/26/60/81/1289266081.db2.gz BUFANLMIDCVDEV-SSDOTTSWSA-N -2 0 364.401 0.046 20 0 FCADRL CC(=O)Nc1ccc(CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC001609624226 1289267234 /nfs/dbraw/zinc/26/72/34/1289267234.db2.gz YZFWJKXPWRGICU-ZJUUUORDSA-N -2 0 356.400 0.743 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cncc(OCC(F)F)c1 ZINC001609639485 1289270698 /nfs/dbraw/zinc/27/06/98/1289270698.db2.gz YLALARPDJDRRLE-JGVFFNPUSA-N -2 0 366.342 0.894 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(-c2nc[nH]n2)c1 ZINC001609639324 1289270747 /nfs/dbraw/zinc/27/07/47/1289270747.db2.gz VQJGQZIGTWIJNG-BDAKNGLRSA-N -2 0 352.372 0.641 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CCc1ccc(C(N)=O)cc1 ZINC001609638696 1289270782 /nfs/dbraw/zinc/27/07/82/1289270782.db2.gz JRSNWELBTBOQFU-NXEZZACHSA-N -2 0 356.400 0.273 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC001609642805 1289271560 /nfs/dbraw/zinc/27/15/60/1289271560.db2.gz DZGDNFVCBLWWRO-ZETCQYMHSA-N -2 0 358.397 0.654 20 0 FCADRL CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])C(=O)[N-]S(=O)(=O)CC1CC1 ZINC001609665141 1289277401 /nfs/dbraw/zinc/27/74/01/1289277401.db2.gz SLPOSQZZHDLUCL-JTQLQIEISA-N -2 0 364.420 0.601 20 0 FCADRL CC(C)(CCNC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1)C(=O)[O-] ZINC001609674697 1289277725 /nfs/dbraw/zinc/27/77/25/1289277725.db2.gz BUNYQIYJUFTYIC-SNVBAGLBSA-N -2 0 353.379 0.824 20 0 FCADRL CC(C)CS(=O)(=O)[N-]C(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C ZINC001609700596 1289282370 /nfs/dbraw/zinc/28/23/70/1289282370.db2.gz FYEDZLURJFXHRX-SNVBAGLBSA-N -2 0 366.436 0.847 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C1CCCCC1 ZINC001609759513 1289293049 /nfs/dbraw/zinc/29/30/49/1289293049.db2.gz JEOPPSJTIQFRFW-DCAQKATOSA-N -2 0 362.448 0.627 20 0 FCADRL C[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001609763555 1289293420 /nfs/dbraw/zinc/29/34/20/1289293420.db2.gz PWZSMIAQAUMRCM-DGCLKSJQSA-N -2 0 369.381 0.519 20 0 FCADRL C[C@@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001609763881 1289294723 /nfs/dbraw/zinc/29/47/23/1289294723.db2.gz YCYFTFJYIJATAL-SSDOTTSWSA-N -2 0 362.429 0.802 20 0 FCADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)C1 ZINC001609839711 1289310307 /nfs/dbraw/zinc/31/03/07/1289310307.db2.gz MQZUYVYHWDNRQN-IJLUTSLNSA-N -2 0 352.387 0.269 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC001609847466 1289310508 /nfs/dbraw/zinc/31/05/08/1289310508.db2.gz YKCRGFHNXNWUKA-KBVBSXBZSA-N -2 0 354.384 0.814 20 0 FCADRL CCC[C@H](O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C)C(=O)[O-] ZINC001609957688 1289333755 /nfs/dbraw/zinc/33/37/55/1289333755.db2.gz FENPXRVBSFXKNX-CMPLNLGQSA-N -2 0 363.363 0.725 20 0 FCADRL CCN(CCC(=O)[O-])S(=O)(=O)c1cc(OC)c(OC)c(C(=O)[O-])c1 ZINC001609999639 1289339665 /nfs/dbraw/zinc/33/96/65/1289339665.db2.gz GTBZIAJAZNCSMA-UHFFFAOYSA-N -2 0 361.372 0.887 20 0 FCADRL CCOC(=O)CS(=O)(=O)[N-]C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001610019623 1289346435 /nfs/dbraw/zinc/34/64/35/1289346435.db2.gz SIADIWZJYAYNHB-UHFFFAOYSA-N -2 0 368.367 0.349 20 0 FCADRL CCOC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])nc1C ZINC001610022898 1289349110 /nfs/dbraw/zinc/34/91/10/1289349110.db2.gz QNZIMLBYYWHFAE-WCBMZHEXSA-N -2 0 372.399 0.736 20 0 FCADRL CCO[C@@H]1C[C@](NS(=O)(=O)c2ccc(C(=O)[O-])o2)(C(=O)[O-])C1(C)C ZINC001610030362 1289352825 /nfs/dbraw/zinc/35/28/25/1289352825.db2.gz JMCJUAQLLIOCNY-OTYXRUKQSA-N -2 0 361.372 0.915 20 0 FCADRL CCOC[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)C(=O)[O-] ZINC001610036606 1289354440 /nfs/dbraw/zinc/35/44/40/1289354440.db2.gz FIPTWFXNKBNXFR-SNVBAGLBSA-N -2 0 351.764 0.806 20 0 FCADRL CCc1ccc(S(=O)(=O)N[C@H](CC(=O)OC)C(=O)[O-])cc1C(=O)[O-] ZINC001610062913 1289360898 /nfs/dbraw/zinc/36/08/98/1289360898.db2.gz QNVMJTAQZSWRSL-LLVKDONJSA-N -2 0 359.356 0.242 20 0 FCADRL CCc1ccc(S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-])cc1C(=O)[O-] ZINC001610062918 1289361497 /nfs/dbraw/zinc/36/14/97/1289361497.db2.gz QNVMJTAQZSWRSL-NSHDSACASA-N -2 0 359.356 0.242 20 0 FCADRL CCc1ccccc1-n1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])nn1 ZINC001610066843 1289362626 /nfs/dbraw/zinc/36/26/26/1289362626.db2.gz BUKDVPWJOPQSFN-UHFFFAOYSA-N -2 0 366.399 0.754 20 0 FCADRL CCc1csc(-n2cc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cn2)n1 ZINC001610069583 1289362652 /nfs/dbraw/zinc/36/26/52/1289362652.db2.gz NYGMKDAAPZEGCV-UHFFFAOYSA-N -2 0 358.401 0.426 20 0 FCADRL CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)[O-])CC1=O ZINC001610129026 1289384363 /nfs/dbraw/zinc/38/43/63/1289384363.db2.gz JJGPRHIREZMMOD-MRVPVSSYSA-N -2 0 374.802 0.712 20 0 FCADRL CNS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001610147211 1289398612 /nfs/dbraw/zinc/39/86/12/1289398612.db2.gz DSWSNVYOBWQCPC-UHFFFAOYSA-N -2 0 371.396 0.489 20 0 FCADRL COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC001610149807 1289399989 /nfs/dbraw/zinc/39/99/89/1289399989.db2.gz QMQSRSDCZSZDQS-UHFFFAOYSA-N -2 0 360.388 0.589 20 0 FCADRL COC(=O)CCS(=O)(=O)[N-]C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001610183401 1289414456 /nfs/dbraw/zinc/41/44/56/1289414456.db2.gz RJBYBBPCDCHLEQ-UHFFFAOYSA-N -2 0 368.367 0.349 20 0 FCADRL COC(=O)Cn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1C ZINC001610185878 1289415190 /nfs/dbraw/zinc/41/51/90/1289415190.db2.gz AIVLXPLXPCNAGC-UHFFFAOYSA-N -2 0 359.385 0.925 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1OC ZINC001610214379 1289429111 /nfs/dbraw/zinc/42/91/11/1289429111.db2.gz TZICYEVMSPOKKY-UHFFFAOYSA-N -2 0 369.355 0.564 20 0 FCADRL COc1cc2c(cc1C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])OCO2 ZINC001610308348 1289457734 /nfs/dbraw/zinc/45/77/34/1289457734.db2.gz UHXPQROVKBEQDM-JGVFFNPUSA-N -2 0 359.356 0.593 20 0 FCADRL COc1ccc(-n2nnc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c2C)cc1 ZINC001610312240 1289459258 /nfs/dbraw/zinc/45/92/58/1289459258.db2.gz MSZWJICTSPFZJP-UHFFFAOYSA-N -2 0 368.371 0.119 20 0 FCADRL COc1ccc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c(C(=O)[O-])c1 ZINC001610341441 1289463204 /nfs/dbraw/zinc/46/32/04/1289463204.db2.gz USBWMFSTSYUTHH-MRXNPFEDSA-N -2 0 350.327 0.655 20 0 FCADRL COc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c(CC(=O)[O-])c1 ZINC001610345297 1289465674 /nfs/dbraw/zinc/46/56/74/1289465674.db2.gz RBQBOZRNENFETO-UHFFFAOYSA-N -2 0 357.384 0.808 20 0 FCADRL COc1cc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2OC)nn1C ZINC001610346660 1289466633 /nfs/dbraw/zinc/46/66/33/1289466633.db2.gz STUCGYZPCSJJAS-UHFFFAOYSA-N -2 0 371.371 0.945 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CO[C@H](C)C2)c(CC(=O)[O-])c1 ZINC001610346521 1289466749 /nfs/dbraw/zinc/46/67/49/1289466749.db2.gz VTWLZQBCAHXFRG-MWLCHTKSSA-N -2 0 357.384 0.552 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CCc3[nH]nc(C(=O)[O-])c3C2)c1 ZINC001610359846 1289470252 /nfs/dbraw/zinc/47/02/52/1289470252.db2.gz IWIFPTGUXXJPFL-VWLOTQADSA-N -2 0 363.395 0.809 20 0 FCADRL Cc1c(CC(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)cnn1C ZINC001610415487 1289483124 /nfs/dbraw/zinc/48/31/24/1289483124.db2.gz QPEAIQJZYWPPFS-UHFFFAOYSA-N -2 0 351.384 0.615 20 0 FCADRL Cc1c(Cl)c(C(=O)[O-])sc1S(=O)(=O)N[C@@H](CCO)C(=O)[O-] ZINC001610427583 1289485827 /nfs/dbraw/zinc/48/58/27/1289485827.db2.gz IPURHWASPKPYPT-YFKPBYRVSA-N -2 0 357.793 0.522 20 0 FCADRL Cc1cc(-n2c(C)cc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c2C)no1 ZINC001610430699 1289487361 /nfs/dbraw/zinc/48/73/61/1289487361.db2.gz PKVCEQFTTSQZCS-UHFFFAOYSA-N -2 0 355.372 0.925 20 0 FCADRL Cc1cc(C)n(C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2)C(=O)[O-])n1 ZINC001610456456 1289489680 /nfs/dbraw/zinc/48/96/80/1289489680.db2.gz YHBAFNIXLQWULM-CYBMUJFWSA-N -2 0 367.383 0.630 20 0 FCADRL Cc1ccc(C(=O)N[C@@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])C(C)C)cc1 ZINC001610483967 1289494000 /nfs/dbraw/zinc/49/40/00/1289494000.db2.gz OAAYNKLJVOLAEF-CYBMUJFWSA-N -2 0 356.400 0.280 20 0 FCADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC001610489725 1289495466 /nfs/dbraw/zinc/49/54/66/1289495466.db2.gz BVHZOWNKZYWIIY-MLGOLLRUSA-N -2 0 369.395 0.805 20 0 FCADRL Cc1cccc(-n2cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])nn2)c1 ZINC001610518223 1289499484 /nfs/dbraw/zinc/49/94/84/1289499484.db2.gz AURFPVCMULIVIE-MNOVXSKESA-N -2 0 366.399 0.745 20 0 FCADRL Cc1nn(C)c(-n2cccn2)c1C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-] ZINC001610568421 1289512528 /nfs/dbraw/zinc/51/25/28/1289512528.db2.gz GSVKTVKFJDQOOR-WCBMZHEXSA-N -2 0 369.403 0.083 20 0 FCADRL Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-])cc12 ZINC001610568629 1289512686 /nfs/dbraw/zinc/51/26/86/1289512686.db2.gz YMQKKPFJPDTDAN-UHFFFAOYSA-N -2 0 372.428 0.290 20 0 FCADRL Cc1noc(-c2ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc2)n1 ZINC001610574401 1289514574 /nfs/dbraw/zinc/51/45/74/1289514574.db2.gz HZJODZOPASSGQL-UHFFFAOYSA-N -2 0 353.356 0.969 20 0 FCADRL Cc1oc(CN(C)C(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1C(=O)[O-] ZINC001610579775 1289515911 /nfs/dbraw/zinc/51/59/11/1289515911.db2.gz LYORMKOPMSIMQF-GXSJLCMTSA-N -2 0 366.370 0.814 20 0 FCADRL Cc1sc(=O)n(CCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])c1C ZINC001610590193 1289518885 /nfs/dbraw/zinc/51/88/85/1289518885.db2.gz QVGNVDOTLBSLGX-XCBNKYQSSA-N -2 0 364.445 0.472 20 0 FCADRL Cn1c(C(=O)[O-])ccc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC001610596825 1289521262 /nfs/dbraw/zinc/52/12/62/1289521262.db2.gz YUFKAWWECYFPOQ-UHFFFAOYSA-N -2 0 350.352 0.777 20 0 FCADRL Cn1nnc2c1C[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])CC2 ZINC001610617340 1289530979 /nfs/dbraw/zinc/53/09/79/1289530979.db2.gz XTQFGFKICKUAFW-SSDOTTSWSA-N -2 0 370.412 0.185 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)CN2CCSC2=O)c1 ZINC001610663910 1289546004 /nfs/dbraw/zinc/54/60/04/1289546004.db2.gz NNQXTGXWZSFTMP-UHFFFAOYSA-N -2 0 358.397 0.500 20 0 FCADRL O=C([O-])[C@@H](CO)NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC001610683424 1289550943 /nfs/dbraw/zinc/55/09/43/1289550943.db2.gz SDVGQMDMWYYZGF-LLVKDONJSA-N -2 0 370.408 0.724 20 0 FCADRL O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1 ZINC001610741790 1289574657 /nfs/dbraw/zinc/57/46/57/1289574657.db2.gz FWNVQYZPJCBUAV-MGPQQGTHSA-N -2 0 360.366 0.246 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])CC1 ZINC001610755238 1289579515 /nfs/dbraw/zinc/57/95/15/1289579515.db2.gz GLLDVOPBHHZQHU-GFCCVEGCSA-N -2 0 359.375 0.996 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)N2CCC[C@@H](n3cc(C(=O)[O-])cn3)C2)CC1 ZINC001610755202 1289579844 /nfs/dbraw/zinc/57/98/44/1289579844.db2.gz DIADYCFUQPHOMB-GFCCVEGCSA-N -2 0 371.415 0.803 20 0 FCADRL O=C([O-])CCCCCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001610767859 1289585091 /nfs/dbraw/zinc/58/50/91/1289585091.db2.gz HPGFWVOBAHJDLY-ZDUSSCGKSA-N -2 0 364.354 0.626 20 0 FCADRL O=C([O-])CCCOc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC001610770321 1289585940 /nfs/dbraw/zinc/58/59/40/1289585940.db2.gz JKBFCDRGSYZQHK-CYBMUJFWSA-N -2 0 364.354 0.944 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC001610775226 1289587181 /nfs/dbraw/zinc/58/71/81/1289587181.db2.gz JTEXRVISDDJKQE-SECBINFHSA-N -2 0 358.347 0.099 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)C1(c2ccc(F)cc2)CCOCC1 ZINC001610775014 1289587430 /nfs/dbraw/zinc/58/74/30/1289587430.db2.gz BTBBEGAMTWWQOZ-UHFFFAOYSA-N -2 0 359.375 0.795 20 0 FCADRL O=C([O-])CN(C1CC1)S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001610780586 1289588863 /nfs/dbraw/zinc/58/88/63/1289588863.db2.gz DGOOIJQIZLYRLM-UHFFFAOYSA-N -2 0 368.161 0.978 20 0 FCADRL O=C([O-])COc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1Cl ZINC001610787053 1289593650 /nfs/dbraw/zinc/59/36/50/1289593650.db2.gz YKYOFJPYYLDUER-SNVBAGLBSA-N -2 0 370.745 0.818 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)NCCc2ccccc2C(=O)[O-])cn1 ZINC001610801006 1289597328 /nfs/dbraw/zinc/59/73/28/1289597328.db2.gz BVOOKLWYPPGNAC-UHFFFAOYSA-N -2 0 353.356 0.187 20 0 FCADRL O=C([O-])c1cc(C(=O)[N-]S(=O)(=O)N2CCCC2)n(-c2ccccc2)n1 ZINC001610810142 1289599458 /nfs/dbraw/zinc/59/94/58/1289599458.db2.gz QQDRMIRLECIZPC-UHFFFAOYSA-N -2 0 364.383 0.641 20 0 FCADRL Cn1nc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1C(=O)[O-] ZINC001116850620 846785573 /nfs/dbraw/zinc/78/55/73/846785573.db2.gz RNXPSSQAZSAQSH-UHFFFAOYSA-N -2 0 350.356 0.804 20 0 FCADRL O=C(c1ncc(Br)cc1[O-])N1CCSC[C@@H]1c1nnn[n-]1 ZINC001154777854 849814221 /nfs/dbraw/zinc/81/42/21/849814221.db2.gz XRHWAGCBYYSRAI-SSDOTTSWSA-N -2 0 371.220 0.993 20 0 FCADRL CC(C)(C)NS(=O)(=O)c1ccc(NCCOP(=O)([O-])[O-])nc1 ZINC001168589645 850590144 /nfs/dbraw/zinc/59/01/44/850590144.db2.gz LDDOFXBWUKLVHF-UHFFFAOYSA-N -2 0 353.337 0.680 20 0 FCADRL C=CNc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1 ZINC001174780243 850745977 /nfs/dbraw/zinc/74/59/77/850745977.db2.gz PNTBLOSQKORLIJ-DJLDLDEBSA-N -2 0 357.263 0.139 20 0 FCADRL O=C(C[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1)NCc1n[nH]c(=O)[n-]1 ZINC001181016368 851084336 /nfs/dbraw/zinc/08/43/36/851084336.db2.gz GAARMJJZKQVMDW-SECBINFHSA-N -2 0 357.292 0.936 20 0 FCADRL CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)NCCOP(=O)([O-])[O-] ZINC001183639275 851258734 /nfs/dbraw/zinc/25/87/34/851258734.db2.gz XZYMUEOHVIQINC-ZDUSSCGKSA-N -2 0 368.323 0.238 20 0 FCADRL CCOC(=O)c1sc(S(=O)(=O)[N-]CC(=O)CCC(=O)[O-])nc1C ZINC001184986001 851331353 /nfs/dbraw/zinc/33/13/53/851331353.db2.gz CLDAVOZJQMUFFW-UHFFFAOYSA-N -2 0 364.401 0.340 20 0 FCADRL CC(C)(C)OC(=O)N1CC(=O)CC[C@H]1C(=O)NCCOP(=O)([O-])[O-] ZINC001185510909 851360133 /nfs/dbraw/zinc/36/01/33/851360133.db2.gz BSDMYOZWGNKMFD-JTQLQIEISA-N -2 0 366.307 0.181 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(C(N)=O)nn1C ZINC001186143350 851413904 /nfs/dbraw/zinc/41/39/04/851413904.db2.gz FIPMKSLVAZWFMX-UHFFFAOYSA-N -2 0 356.335 0.466 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)NCCOP(=O)([O-])[O-])cc1Cl ZINC001186120035 851414650 /nfs/dbraw/zinc/41/46/50/851414650.db2.gz DRPLBTGDWKEVTD-UHFFFAOYSA-N -2 0 372.723 0.686 20 0 FCADRL Cn1ncc(C(N)=O)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187545808 851576890 /nfs/dbraw/zinc/57/68/90/851576890.db2.gz XTTLOCMRYJOETQ-UHFFFAOYSA-N -2 0 358.763 0.671 20 0 FCADRL CCOc1cc(N)n(C(=O)c2ccccc2OP(=O)([O-])[O-])c(=N)n1 ZINC001189871282 851832769 /nfs/dbraw/zinc/83/27/69/851832769.db2.gz KUKZMLMTHLNWCH-UHFFFAOYSA-N -2 0 354.259 0.503 20 0 FCADRL Cc1cnn(CCO)c1NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189914227 851842001 /nfs/dbraw/zinc/84/20/01/851842001.db2.gz GJJMBONBZNYISZ-UHFFFAOYSA-N -2 0 369.355 0.381 20 0 FCADRL Nc1ncc(Cl)nc1NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189915757 851842344 /nfs/dbraw/zinc/84/23/44/851842344.db2.gz UTZSUEQCDRDLHI-UHFFFAOYSA-N -2 0 372.746 0.909 20 0 FCADRL O=C([O-])c1cc(C(=O)N2CCC[C@@H](CCO)C2)cc(S(=O)(=O)[O-])c1 ZINC001189924192 851844156 /nfs/dbraw/zinc/84/41/56/851844156.db2.gz LLPFYOSPZYSFOZ-JTQLQIEISA-N -2 0 357.384 0.866 20 0 FCADRL C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(C(=O)[O-])cc(S(=O)(=O)[O-])c3)C[C@@H]21 ZINC001189924874 851844284 /nfs/dbraw/zinc/84/42/84/851844284.db2.gz UERIFKDCXBWHLC-HZMBPMFUSA-N -2 0 368.411 0.798 20 0 FCADRL CC(C)[C@@](C)(NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1)C(N)=O ZINC001189933949 851845090 /nfs/dbraw/zinc/84/50/90/851845090.db2.gz QAYWJTQHPSTMRG-CQSZACIVSA-N -2 0 358.372 0.261 20 0 FCADRL Cn1cnc(CCNC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)c1 ZINC001189933340 851845113 /nfs/dbraw/zinc/84/51/13/851845113.db2.gz IQYNJBFECODNOK-UHFFFAOYSA-N -2 0 353.356 0.338 20 0 FCADRL C[C@H](NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1)c1cnccn1 ZINC001189933897 851845138 /nfs/dbraw/zinc/84/51/38/851845138.db2.gz OYYFHENJAOJQBV-QMMMGPOBSA-N -2 0 351.340 0.913 20 0 FCADRL O=C([O-])c1cc(C(=O)N[C@H]2CCCNC(=O)C2)cc(S(=O)(=O)[O-])c1 ZINC001189941118 851845977 /nfs/dbraw/zinc/84/59/77/851845977.db2.gz AIKRLBGCJFPDAC-JTQLQIEISA-N -2 0 356.356 0.030 20 0 FCADRL NC(=O)c1[nH]nc2c1CCN(C(=O)c1ccccc1OP(=O)([O-])[O-])C2 ZINC001278365906 862306754 /nfs/dbraw/zinc/30/67/54/862306754.db2.gz CSOBAXAYUNFRGZ-UHFFFAOYSA-N -2 0 366.270 0.179 20 0 FCADRL NC(=O)[C@@H]1COCCC12CN(C(=O)c1ccccc1OP(=O)([O-])[O-])C2 ZINC001278367163 862307886 /nfs/dbraw/zinc/30/78/86/862307886.db2.gz WBOUIZNWVUIOKN-NSHDSACASA-N -2 0 370.298 0.122 20 0 FCADRL Cn1cnc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c2ncnc1-2 ZINC001192677475 852275463 /nfs/dbraw/zinc/27/54/63/852275463.db2.gz DCPKWOFSNJHAIC-UHFFFAOYSA-N -2 0 363.355 0.579 20 0 FCADRL NC(=O)S(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC001193280644 852402244 /nfs/dbraw/zinc/40/22/44/852402244.db2.gz RKLFDGJOXMMUBC-MRVPVSSYSA-N -2 0 364.401 0.579 20 0 FCADRL NC(=O)c1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cn1 ZINC001193971983 852519047 /nfs/dbraw/zinc/51/90/47/852519047.db2.gz QTZCWILKWPHMJB-UHFFFAOYSA-N -2 0 374.737 0.867 20 0 FCADRL COC(=O)[C@]1(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCOC1 ZINC001195267737 852734859 /nfs/dbraw/zinc/73/48/59/852734859.db2.gz FOELYJFNMKVNNJ-ZDUSSCGKSA-N -2 0 365.310 0.273 20 0 FCADRL CS(=O)(=O)[N-]c1ccsc1C(=O)NCCCC[P@@](=O)([O-])O ZINC001196740052 853007275 /nfs/dbraw/zinc/00/72/75/853007275.db2.gz VATZBODGMQVEFU-UHFFFAOYSA-N -2 0 356.362 0.807 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cc(NCC2CCOCC2)ncn1 ZINC001199441037 853424702 /nfs/dbraw/zinc/42/47/02/853424702.db2.gz QFQLZKJAAZGJIA-UHFFFAOYSA-N -2 0 360.307 0.154 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1ccnc(OCC2CCOCC2)n1 ZINC001199646115 853450310 /nfs/dbraw/zinc/45/03/10/853450310.db2.gz DYVNTHBYRZSYQP-UHFFFAOYSA-N -2 0 361.291 0.121 20 0 FCADRL CNC(=S)Nc1ncnc2c1ncn2C[C@@H](C)OC[P@@](=O)([O-])O ZINC001200599688 853502791 /nfs/dbraw/zinc/50/27/91/853502791.db2.gz BHSCKHMPVHZVNA-SSDOTTSWSA-N -2 0 360.336 0.283 20 0 FCADRL O=S(=O)([O-])CNS(=O)(=O)c1ncccc1OCc1ccccc1 ZINC001201899049 853553967 /nfs/dbraw/zinc/55/39/67/853553967.db2.gz DXMWDQDQOQZNSC-UHFFFAOYSA-N -2 0 358.397 0.784 20 0 FCADRL CCOC(=O)c1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001222163977 856806919 /nfs/dbraw/zinc/80/69/19/856806919.db2.gz WUEUUAOUJIPLRN-WCQYABFASA-N -2 0 354.311 0.443 20 0 FCADRL O=C([O-])C[C@H](C(=O)OCc1noc(-c2ccccc2)n1)[C@@H](O)C(=O)[O-] ZINC001223094337 856895977 /nfs/dbraw/zinc/89/59/77/856895977.db2.gz FJEDHRNMUVLAIE-JOYOIKCWSA-N -2 0 350.283 0.316 20 0 FCADRL Cc1ccc2oc(=O)cc(COC(=O)[C@H](O)COP(=O)([O-])[O-])c2c1 ZINC001223547533 856924708 /nfs/dbraw/zinc/92/47/08/856924708.db2.gz UMWRQTOLUSXECI-LLVKDONJSA-N -2 0 358.239 0.615 20 0 FCADRL CC(C)C(=O)Oc1cccc(COC(=O)[C@H](O)COP(=O)([O-])[O-])c1 ZINC001223895015 856948956 /nfs/dbraw/zinc/94/89/56/856948956.db2.gz GFNCBWYPICHUDQ-GFCCVEGCSA-N -2 0 362.271 0.761 20 0 FCADRL CCOP(=O)(CCCOC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])OCC ZINC001224761592 857000691 /nfs/dbraw/zinc/00/06/91/857000691.db2.gz BDRXNGNOVKUGEH-MWLCHTKSSA-N -2 0 370.291 0.722 20 0 FCADRL COc1cc(CCOC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(OC)c1 ZINC001224975272 857011038 /nfs/dbraw/zinc/01/10/38/857011038.db2.gz GMMKOJJTRINFMI-OCCSQVGLSA-N -2 0 356.327 0.326 20 0 FCADRL O=C(Oc1ccc(Br)c(F)c1)[C@H](O)COP(=O)([O-])[O-] ZINC001225578724 857049394 /nfs/dbraw/zinc/04/93/94/857049394.db2.gz RFBKPPFYFFPBEE-MRVPVSSYSA-N -2 0 359.040 0.964 20 0 FCADRL Cc1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc(-c2ccccn2)n1 ZINC001226275689 857095628 /nfs/dbraw/zinc/09/56/28/857095628.db2.gz WQQJSRGGZMUYSG-SNVBAGLBSA-N -2 0 355.243 0.223 20 0 FCADRL Cc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cnc1Br ZINC001226999194 857136720 /nfs/dbraw/zinc/13/67/20/857136720.db2.gz JIEKTXXUBAUDLK-CBAPKCEASA-N -2 0 362.132 0.594 20 0 FCADRL CCCOC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001228004687 857188639 /nfs/dbraw/zinc/18/86/39/857188639.db2.gz DTQGPXCJUWCLLV-WCQYABFASA-N -2 0 354.311 0.695 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1nc(Cl)nc2ccccc21)[C@H](O)C(=O)[O-] ZINC001228033895 857189395 /nfs/dbraw/zinc/18/93/95/857189395.db2.gz JUXRKCVXAFFDTG-XVKPBYJWSA-N -2 0 354.702 0.725 20 0 FCADRL CCOC(=O)c1cc(O)cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001228038755 857189733 /nfs/dbraw/zinc/18/97/33/857189733.db2.gz ZXDMFLJHANGEBF-CMPLNLGQSA-N -2 0 356.283 0.011 20 0 FCADRL CCOC(=O)c1ccc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001228104291 857191531 /nfs/dbraw/zinc/19/15/31/857191531.db2.gz MYMHSINZALZXII-PELKAZGASA-N -2 0 356.283 0.011 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccnc(Br)c1F)[C@H](O)C(=O)[O-] ZINC001228539664 857214596 /nfs/dbraw/zinc/21/45/96/857214596.db2.gz DYJUSQCONPSPDM-VHWMUFPASA-N -2 0 366.095 0.425 20 0 FCADRL CCOC(=O)c1[nH]c2ccccc2c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001228656529 857221411 /nfs/dbraw/zinc/22/14/11/857221411.db2.gz GGAUTKBVHVGMDB-SNVBAGLBSA-N -2 0 373.254 0.720 20 0 FCADRL COC(=O)c1scc(Cl)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228778931 857227857 /nfs/dbraw/zinc/22/78/57/857227857.db2.gz WLRWYZMEVHJGTH-MHTLYPKNSA-N -2 0 366.731 0.630 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2ccc(Cl)cc21)[C@@H](O)C(=O)[O-] ZINC001228911333 857238553 /nfs/dbraw/zinc/23/85/53/857238553.db2.gz CKRCBIYOUDKEBF-OIBJUYFYSA-N -3 0 370.701 0.431 20 0 FCADRL CSc1nc2c(c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1)CCCC2 ZINC001229161607 857255054 /nfs/dbraw/zinc/25/50/54/857255054.db2.gz OVESZAWXJZZLNX-KCJUWKMLSA-N -2 0 370.383 0.519 20 0 FCADRL Cc1cc(=O)oc2ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc12 ZINC001229196686 857257725 /nfs/dbraw/zinc/25/77/25/857257725.db2.gz XYVGZUYMLGKKFQ-QMTHXVAHSA-N -2 0 350.279 0.543 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1[nH]c(=S)nc2sccc21)[C@@H](O)C(=O)[O-] ZINC001229570075 857275649 /nfs/dbraw/zinc/27/56/49/857275649.db2.gz OIJLMWMESWVHCO-CAHLUQPWSA-N -2 0 358.353 0.422 20 0 FCADRL Cc1ncc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1Br ZINC001229890796 857291097 /nfs/dbraw/zinc/29/10/97/857291097.db2.gz MHAKLTBKKAYYIZ-OIBJUYFYSA-N -2 0 362.132 0.594 20 0 FCADRL O=S(=O)([O-])c1cc(O)c(O[C@H]2CCOC[C@@H]2F)c(S(=O)(=O)[O-])c1 ZINC001230144243 857307496 /nfs/dbraw/zinc/30/74/96/857307496.db2.gz MGAGFVILYFUMSZ-CBAPKCEASA-N -2 0 372.348 0.391 20 0 FCADRL O=C1CCCC[C@H]1Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-] ZINC001230143346 857307611 /nfs/dbraw/zinc/30/76/11/857307611.db2.gz DJYBCODIIBAICW-SNVBAGLBSA-N -2 0 366.369 0.776 20 0 FCADRL CCOC(=O)[C@H](C)Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-] ZINC001230147426 857307736 /nfs/dbraw/zinc/30/77/36/857307736.db2.gz VWYGZOFZTURZCJ-LURJTMIESA-N -2 0 370.357 0.216 20 0 FCADRL COC(=O)c1cc(C)c(O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1C ZINC001230258461 857319021 /nfs/dbraw/zinc/31/90/21/857319021.db2.gz AHVMLAYPCCKIKJ-SECBINFHSA-N -2 0 364.243 0.171 20 0 FCADRL CCc1c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cccc1C(=O)OC ZINC001230367195 857329670 /nfs/dbraw/zinc/32/96/70/857329670.db2.gz DWICZWJELVPXGM-MFKMUULPSA-N -2 0 354.311 0.477 20 0 FCADRL CC(=O)N1CCc2c1cccc2OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001230484100 857340722 /nfs/dbraw/zinc/34/07/22/857340722.db2.gz AIRHKPVRFMVUQE-QMTHXVAHSA-N -2 0 351.311 0.037 20 0 FCADRL COc1cc2c(c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1)C(=O)CC2 ZINC001230545564 857343778 /nfs/dbraw/zinc/34/37/78/857343778.db2.gz JNVDFGYXQCOLTL-XPTSAGLGSA-N -2 0 352.295 0.266 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(C(=O)C(F)(F)F)cc1)[C@H](O)C(=O)[O-] ZINC001230700308 857346187 /nfs/dbraw/zinc/34/61/87/857346187.db2.gz FPONHUYAKPXPFN-SCZZXKLOSA-N -2 0 364.228 0.873 20 0 FCADRL COc1ccc(C(C)=O)c(O)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001231326751 857358955 /nfs/dbraw/zinc/35/89/55/857358955.db2.gz IASKNPLFMMNADO-PRHODGIISA-N -2 0 356.283 0.045 20 0 FCADRL CC(=O)c1ccc2nc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])sc2c1 ZINC001233604126 857387278 /nfs/dbraw/zinc/38/72/78/857387278.db2.gz BCABEGSWAXXKHA-QPUJVOFHSA-N -2 0 367.335 0.941 20 0 FCADRL COC(=O)CCc1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001233658946 857388208 /nfs/dbraw/zinc/38/82/08/857388208.db2.gz SDJGSSWJMORLSN-FZMZJTMJSA-N -2 0 354.311 0.234 20 0 FCADRL COC(=O)c1ccc(F)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1F ZINC001233909691 857391896 /nfs/dbraw/zinc/39/18/96/857391896.db2.gz KTVPVSBVGMJNOM-WKEGUHRASA-N -2 0 362.237 0.193 20 0 FCADRL CC1(C)O[C@H]2C(=O)O[C@H](COc3ccc(OP(=O)([O-])[O-])cc3)[C@H]2O1 ZINC001234331957 857400837 /nfs/dbraw/zinc/40/08/37/857400837.db2.gz LVPYXCQWIBEHSA-IJLUTSLNSA-N -2 0 360.255 0.982 20 0 FCADRL COC(=O)c1cc(Cl)cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001234622650 857411418 /nfs/dbraw/zinc/41/14/18/857411418.db2.gz IGEYUTYASHSSBX-ONGXEEELSA-N -2 0 360.702 0.568 20 0 FCADRL COc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc(S(C)(=O)=O)n1 ZINC001242159376 857542343 /nfs/dbraw/zinc/54/23/43/857542343.db2.gz NGHQJHUFOVIECL-UHFFFAOYSA-N -2 0 352.324 0.952 20 0 FCADRL NC(=O)S(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)CC(F)(F)F)c1 ZINC001253204548 857873071 /nfs/dbraw/zinc/87/30/71/857873071.db2.gz RAJNEKARTDBYET-UHFFFAOYSA-N -2 0 362.307 0.963 20 0 FCADRL COC(=O)CS(=O)(=O)[N-]c1cc(Cl)c(C)cc1S(=O)(=O)[O-] ZINC001259024702 858231427 /nfs/dbraw/zinc/23/14/27/858231427.db2.gz FGWWSARXPCNQCH-UHFFFAOYSA-N -2 0 357.793 0.810 20 0 FCADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c([N-]S(=O)(=O)C(F)F)c1 ZINC001259957777 858318486 /nfs/dbraw/zinc/31/84/86/858318486.db2.gz ATBMASOSYWSAQW-UHFFFAOYSA-N -3 0 367.329 0.144 20 0 FCADRL CCOC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1cnccn1 ZINC001260194709 858354271 /nfs/dbraw/zinc/35/42/71/858354271.db2.gz PCARYLNUJFCXFU-CYBMUJFWSA-N -2 0 365.367 0.758 20 0 FCADRL COC(=O)c1cncc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n1 ZINC001260392893 858365198 /nfs/dbraw/zinc/36/51/98/858365198.db2.gz UJZYHIIAAWLCMK-UHFFFAOYSA-N -2 0 353.312 0.468 20 0 FCADRL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cn1 ZINC001260393667 858366336 /nfs/dbraw/zinc/36/63/36/858366336.db2.gz BFVLKWVNVDKKIA-UHFFFAOYSA-N -2 0 367.339 0.858 20 0 FCADRL CN(Cc1nc(=O)o[n-]1)C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001299928878 866199595 /nfs/dbraw/zinc/19/95/95/866199595.db2.gz KFQXPYCQOYQBTL-UHFFFAOYSA-N -2 0 351.269 0.805 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1cnn(CC(=O)NC2CC2)c1 ZINC000324411166 971117335 /nfs/dbraw/zinc/11/73/35/971117335.db2.gz VWTKFNNWFPKBLZ-UHFFFAOYSA-N -2 0 370.412 0.722 20 0 FCADRL C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001573654265 947964090 /nfs/dbraw/zinc/96/40/90/947964090.db2.gz QHFMHVSKBPSHGR-VIFPVBQESA-N -2 0 373.421 0.350 20 0 FCADRL O=C([O-])c1cnc(C(=O)[N-]S(=O)(=O)N2CCc3sccc3C2)cn1 ZINC001595266783 949754943 /nfs/dbraw/zinc/75/49/43/949754943.db2.gz UUZWUGXFZUUDKK-UHFFFAOYSA-N -2 0 368.396 0.269 20 0 FCADRL O=C([O-])Cn1cccc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)c1=O ZINC001595157090 952172357 /nfs/dbraw/zinc/17/23/57/952172357.db2.gz ZBQIXPNHRIIEPY-UHFFFAOYSA-N -2 0 356.294 0.529 20 0 FCADRL CC(C)(C)OC(=O)C(C)(C)NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001571110569 952435578 /nfs/dbraw/zinc/43/55/78/952435578.db2.gz JXCCFUZYXFCILU-UHFFFAOYSA-N -2 0 374.405 0.825 20 0 FCADRL O=C([O-])C(=O)N1CCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])CC1 ZINC001594828268 953955299 /nfs/dbraw/zinc/95/52/99/953955299.db2.gz OWTJBEZIRRLINB-UHFFFAOYSA-N -2 0 362.317 0.086 20 0 FCADRL O=C([O-])[C@@H]1CC(C(=O)N2CC[C@H](c3nnn[n-]3)C2)=NN1c1ccccc1 ZINC001594902341 954646423 /nfs/dbraw/zinc/64/64/23/954646423.db2.gz YTFYHHKACIGMDF-GWCFXTLKSA-N -2 0 355.358 0.235 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC001594659287 956518994 /nfs/dbraw/zinc/51/89/94/956518994.db2.gz HQDRYPVJVWALEN-UHFFFAOYSA-N -2 0 350.352 0.919 20 0 FCADRL Nc1ccnc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC001594666841 956583691 /nfs/dbraw/zinc/58/36/91/956583691.db2.gz ZWQBQQOXCDMUNT-PSASIEDQSA-N -2 0 360.292 0.400 20 0 FCADRL Nc1ccnc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC001594666842 956584133 /nfs/dbraw/zinc/58/41/33/956584133.db2.gz ZWQBQQOXCDMUNT-SCZZXKLOSA-N -2 0 360.292 0.400 20 0 FCADRL COCCN(CCC(=O)[O-])C(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC001594006743 956978969 /nfs/dbraw/zinc/97/89/69/956978969.db2.gz JGGSLHDQNHIBHM-UHFFFAOYSA-N -2 0 362.379 0.761 20 0 FCADRL O=C([O-])CCNS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000013358778 957037475 /nfs/dbraw/zinc/03/74/75/957037475.db2.gz BGTZORDRFYQRPX-UHFFFAOYSA-N -2 0 352.162 0.900 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCC[C@@H](C)[C@H]3C(=O)[O-])cc2=O)n1 ZINC001594305921 957966241 /nfs/dbraw/zinc/96/62/41/957966241.db2.gz MNEVVIPBFULYOO-OTYXRUKQSA-N -2 0 359.386 0.898 20 0 FCADRL Cn1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)n1 ZINC000127102847 958606463 /nfs/dbraw/zinc/60/64/63/958606463.db2.gz GDEMKISRAVDCGQ-UHFFFAOYSA-N -2 0 362.165 0.472 20 0 FCADRL CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)[N-]OC[C@@H]2CCOC2)C1 ZINC001573450758 958873395 /nfs/dbraw/zinc/87/33/95/958873395.db2.gz HSQNSLDWQOAQBM-BDJLRTHQSA-N -2 0 374.390 0.161 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)cc1=O ZINC001573543656 959195612 /nfs/dbraw/zinc/19/56/12/959195612.db2.gz KEQYZXICOJGMFZ-UHFFFAOYSA-N -2 0 363.374 0.439 20 0 FCADRL C[C@@H](CO[N-]C(=O)c1cccn(CC(=O)[O-])c1=O)NC(=O)OC(C)(C)C ZINC001573608715 959468794 /nfs/dbraw/zinc/46/87/94/959468794.db2.gz XXXQDDCMVFTVGP-JTQLQIEISA-N -2 0 369.374 0.508 20 0 FCADRL C[C@]1(C(=O)[O-])CCCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001573646465 959645339 /nfs/dbraw/zinc/64/53/39/959645339.db2.gz VMWKKSKQKSVCSH-CQSZACIVSA-N -2 0 362.354 0.709 20 0 FCADRL C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C[C@H]1C(=O)[O-] ZINC001573736198 960438028 /nfs/dbraw/zinc/43/80/28/960438028.db2.gz RBYDWENKSHLHBS-GXFFZTMASA-N -2 0 370.427 0.825 20 0 FCADRL COC(=O)CC[C@H](NC(=O)c1ncc(Br)cc1[O-])C(=O)[O-] ZINC001574066402 962236923 /nfs/dbraw/zinc/23/69/23/962236923.db2.gz PYBOCKSTAKKXRW-ZETCQYMHSA-N -2 0 361.148 0.686 20 0 FCADRL CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC001603314565 972615913 /nfs/dbraw/zinc/61/59/13/972615913.db2.gz DDADHPMYSASUGI-UHFFFAOYSA-N -2 0 362.433 0.985 20 0 FCADRL CC[C@H](O)[C@H](C)C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001603585764 973755002 /nfs/dbraw/zinc/75/50/02/973755002.db2.gz BKNVNUDMIDJSQW-JXUBOQSCSA-N -2 0 354.325 0.516 20 0 FCADRL COc1nc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])co1 ZINC001604907015 974174159 /nfs/dbraw/zinc/17/41/59/974174159.db2.gz VNGUFCJDXFAPIX-HTRCEHHLSA-N -2 0 365.264 0.420 20 0 FCADRL CC(C)OC[C@H](NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)C(=O)[O-] ZINC001591730643 975696538 /nfs/dbraw/zinc/69/65/38/975696538.db2.gz DSTSRCXJUGDSOJ-UJZCVKTISA-N -2 0 357.384 0.941 20 0 FCADRL C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001592406035 977978921 /nfs/dbraw/zinc/97/89/21/977978921.db2.gz KCYNMHIFZRTLLQ-MRVPVSSYSA-N -2 0 365.791 0.884 20 0 FCADRL CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001595029066 979155590 /nfs/dbraw/zinc/15/55/90/979155590.db2.gz UAHGQYYPQQGWFA-SECBINFHSA-N -2 0 354.388 0.855 20 0 FCADRL C[C@H](CS(=O)(=O)N1C[C@@H](c2ccccc2)[C@@](F)(C(=O)[O-])C1)C(=O)[O-] ZINC001592790198 979438654 /nfs/dbraw/zinc/43/86/54/979438654.db2.gz XHNHBZSHCQQLEI-IFUGULHKSA-N -2 0 359.375 0.929 20 0 FCADRL C[C@H](Cc1cnn(C)c1)C(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001592909362 979873847 /nfs/dbraw/zinc/87/38/47/979873847.db2.gz WJJPARNCWIIXPF-SNVBAGLBSA-N -2 0 366.399 0.770 20 0 FCADRL CCC[C@@H](O)[C@H](NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-])C(=O)[O-] ZINC001595607681 981604278 /nfs/dbraw/zinc/60/42/78/981604278.db2.gz GJWAAHYJPFVDNW-KOLCDFICSA-N -2 0 365.791 0.931 20 0 FCADRL CCC[C@H](O)[C@@H](NS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1)C(=O)[O-] ZINC001595608574 981612473 /nfs/dbraw/zinc/61/24/73/981612473.db2.gz KPJAWTOPJKPGJE-WCQYABFASA-N -2 0 363.363 0.345 20 0 FCADRL CCC[C@H](OC)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001595611106 981627571 /nfs/dbraw/zinc/62/75/71/981627571.db2.gz LGNNRVRJFFLTNN-LBPRGKRZSA-N -2 0 359.400 0.942 20 0 FCADRL CCCNC(=O)Nc1ccc(CC(=O)[N-]S(=O)(=O)CCC(=O)[O-])cc1 ZINC001595925827 983045929 /nfs/dbraw/zinc/04/59/29/983045929.db2.gz LEZVUTIGNDACSG-UHFFFAOYSA-N -2 0 371.415 0.681 20 0 FCADRL CCCc1c(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)[nH]c(C)c1C(=O)[O-] ZINC001596045925 983338308 /nfs/dbraw/zinc/33/83/08/983338308.db2.gz WWOGYGCJKXMDIF-QMMMGPOBSA-N -2 0 360.388 0.595 20 0 FCADRL CCN1C(=O)CCc2cc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])ccc21 ZINC001596389191 983919201 /nfs/dbraw/zinc/91/92/01/983919201.db2.gz BCPNZSJJMGKQJG-UHFFFAOYSA-N -2 0 363.370 0.837 20 0 FCADRL CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@](C)(COC)C(=O)[O-] ZINC001596586436 984516072 /nfs/dbraw/zinc/51/60/72/984516072.db2.gz BXJXDKCNXNBFGQ-XCBNKYQSSA-N -2 0 365.326 0.280 20 0 FCADRL CCOC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC001596637774 984628747 /nfs/dbraw/zinc/62/87/47/984628747.db2.gz KRVVGLJQKCBVAS-UHFFFAOYSA-N -2 0 353.356 0.945 20 0 FCADRL CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC001596637881 984629274 /nfs/dbraw/zinc/62/92/74/984629274.db2.gz OQTDVCRCMKKUCS-UHFFFAOYSA-N -2 0 360.373 0.402 20 0 FCADRL CCOC(=O)Cn1ccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)n1 ZINC001596637920 984629869 /nfs/dbraw/zinc/62/98/69/984629869.db2.gz RBIZNNRLVKYKOL-UHFFFAOYSA-N -2 0 354.344 0.340 20 0 FCADRL CCOC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])nc1 ZINC001596717923 984947308 /nfs/dbraw/zinc/94/73/08/984947308.db2.gz CGODIWQBETWCDB-DTWKUNHWSA-N -2 0 358.372 0.427 20 0 FCADRL CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cnc(C(=O)[O-])cn3)cc21 ZINC001589093223 985282784 /nfs/dbraw/zinc/28/27/84/985282784.db2.gz KCWDOQBTGNSESE-UHFFFAOYSA-N -2 0 362.367 0.885 20 0 FCADRL CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001589093652 985286776 /nfs/dbraw/zinc/28/67/76/985286776.db2.gz ZTXXUVGZHDIAHD-AWEZNQCLSA-N -2 0 368.411 0.443 20 0 FCADRL CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001589137622 985441092 /nfs/dbraw/zinc/44/10/92/985441092.db2.gz LAHNSEDPXVQPEU-SSDOTTSWSA-N -2 0 364.401 0.046 20 0 FCADRL CC(=O)NCCN(CC(=O)Nc1ccc(C(=O)[O-])cc1)[C@H](C)C(=O)[O-] ZINC001589139856 985447574 /nfs/dbraw/zinc/44/75/74/985447574.db2.gz KVWLAJKAHZHBCK-SNVBAGLBSA-N -2 0 351.359 0.235 20 0 FCADRL CC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])s1 ZINC001589145836 985462078 /nfs/dbraw/zinc/46/20/78/985462078.db2.gz JFCIVEZKQQMPQF-SFYZADRCSA-N -2 0 362.429 0.553 20 0 FCADRL CC(=O)N[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001589165819 985509073 /nfs/dbraw/zinc/50/90/73/985509073.db2.gz XLWMMDBMLXKPFU-CQSZACIVSA-N -2 0 370.427 0.882 20 0 FCADRL CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC001596875740 985721659 /nfs/dbraw/zinc/72/16/59/985721659.db2.gz LKPCXTLRTIMSBX-LBPRGKRZSA-N -2 0 374.415 0.204 20 0 FCADRL CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001596931726 986026087 /nfs/dbraw/zinc/02/60/87/986026087.db2.gz CVEURBXWVGFXQN-LLVKDONJSA-N -2 0 359.400 0.772 20 0 FCADRL CC(=O)c1ccc(NC(=C(F)C(=O)[O-])c2c([O-])[nH]c(=S)[nH]c2=O)cc1 ZINC001589299394 986051520 /nfs/dbraw/zinc/05/15/20/986051520.db2.gz GYHIIBUGSBXAKB-SNVBAGLBSA-N -3 0 365.342 0.509 20 0 FCADRL CC(=O)c1cccc(OCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001589311843 986100163 /nfs/dbraw/zinc/10/01/63/986100163.db2.gz YXXMRFNLWHUFGZ-KOLCDFICSA-N -2 0 357.384 0.823 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001589450089 986835555 /nfs/dbraw/zinc/83/55/55/986835555.db2.gz AJUYRBVSDOWYGS-SRVKXCTJSA-N -2 0 368.411 0.595 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC001589450223 986838131 /nfs/dbraw/zinc/83/81/31/986838131.db2.gz BUSMZQNQIUOBJH-ITSCGTHASA-N -2 0 374.459 0.627 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001589452735 986850496 /nfs/dbraw/zinc/85/04/96/986850496.db2.gz MSPZWDQESKIYBV-XHNCKOQMSA-N -2 0 360.354 0.426 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CSCc1cscn1 ZINC001589452724 986851010 /nfs/dbraw/zinc/85/10/10/986851010.db2.gz MRCRWUPTHJSNMQ-YUMQZZPRSA-N -2 0 352.459 0.932 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CN(C)C(=O)OC(C)(C)C ZINC001589452888 986854917 /nfs/dbraw/zinc/85/49/17/986854917.db2.gz NGKFUYKUDSMQHJ-RKDXNWHRSA-N -2 0 352.409 0.409 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cc[nH]c2=O)cc1 ZINC001589453198 986859147 /nfs/dbraw/zinc/85/91/47/986859147.db2.gz OVGCCZYRPRBWOY-UWVGGRQHSA-N -2 0 367.383 0.747 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(N2CCNC2=O)c1 ZINC001589453388 986861139 /nfs/dbraw/zinc/86/11/39/986861139.db2.gz FXPWZXTVPUSJAW-UWVGGRQHSA-N -2 0 369.399 0.385 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(N2CCNC2=O)c1 ZINC001589453389 986861230 /nfs/dbraw/zinc/86/12/30/986861230.db2.gz FXPWZXTVPUSJAW-VHSXEESVSA-N -2 0 369.399 0.385 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)cc1 ZINC001589455162 986891091 /nfs/dbraw/zinc/89/10/91/986891091.db2.gz VPLBYZXUIOXSME-NWDGAFQWSA-N -2 0 370.427 0.692 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001589455326 986895317 /nfs/dbraw/zinc/89/53/17/986895317.db2.gz YEGDQSLJKQZELA-JGVFFNPUSA-N -2 0 356.356 0.186 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC001589492076 987062171 /nfs/dbraw/zinc/06/21/71/987062171.db2.gz QXVZVRPPTAVPHF-GWCFXTLKSA-N -2 0 357.384 0.777 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1 ZINC001589496473 987079025 /nfs/dbraw/zinc/07/90/25/987079025.db2.gz WZMPOUXLULGWPJ-AMIZOPFISA-N -2 0 368.383 0.255 20 0 FCADRL CC(C)(C(=O)[O-])C(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC001589588602 987384002 /nfs/dbraw/zinc/38/40/02/987384002.db2.gz BMUCEDBUNARJGR-UHFFFAOYSA-N -2 0 357.384 0.413 20 0 FCADRL CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cc1 ZINC001589644231 987576753 /nfs/dbraw/zinc/57/67/53/987576753.db2.gz PKNBDYVJKZTBDI-UHFFFAOYSA-N -2 0 366.399 0.531 20 0 FCADRL CC(C)(C(=O)[O-])c1csc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)n1 ZINC001589648852 987583163 /nfs/dbraw/zinc/58/31/63/987583163.db2.gz HIGBFTLAPJXLNQ-UHFFFAOYSA-N -2 0 369.399 0.815 20 0 FCADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)OC)nn1 ZINC001597785190 989301240 /nfs/dbraw/zinc/30/12/40/989301240.db2.gz BXKHNVGBZLZUNX-UHFFFAOYSA-N -2 0 355.328 0.918 20 0 FCADRL CCn1c(C)cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1C ZINC001597844102 989555727 /nfs/dbraw/zinc/55/57/27/989555727.db2.gz XHMWSALURQKAAF-UHFFFAOYSA-N -2 0 357.432 0.896 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)N3CC[C@@](O)(C(=O)[O-])C3)cc2[n-]c1=S ZINC001597860013 989632568 /nfs/dbraw/zinc/63/25/68/989632568.db2.gz HIEYYPPTXJSYIK-INIZCTEOSA-N -2 0 363.395 0.367 20 0 FCADRL CC(C)(C)c1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)[nH]n1 ZINC001590454092 990020566 /nfs/dbraw/zinc/02/05/66/990020566.db2.gz KYXZFDXCSXVJDP-UHFFFAOYSA-N -2 0 358.420 0.478 20 0 FCADRL CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cn1 ZINC001598135086 990583995 /nfs/dbraw/zinc/58/39/95/990583995.db2.gz LRLNNWSYXOPMFY-UHFFFAOYSA-N -2 0 370.362 0.609 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1ccc(OC(F)F)cn1)C(=O)[O-] ZINC001590798962 990626192 /nfs/dbraw/zinc/62/61/92/990626192.db2.gz IQOROFYKGUBGDL-UHFFFAOYSA-N -2 0 352.315 0.853 20 0 FCADRL CC(C)=CC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1 ZINC001590912517 990886732 /nfs/dbraw/zinc/88/67/32/990886732.db2.gz LZJZCLLBBOZHPD-UHFFFAOYSA-N -2 0 354.384 0.413 20 0 FCADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001590957808 991043737 /nfs/dbraw/zinc/04/37/37/991043737.db2.gz WYGXIXAKNMHFNA-LBPRGKRZSA-N -3 0 361.347 0.615 20 0 FCADRL CN(C)c1cc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc(C(F)(F)F)c1 ZINC001598291588 991200045 /nfs/dbraw/zinc/20/00/45/991200045.db2.gz CHUAAWKPTXSBCZ-UHFFFAOYSA-N -2 0 354.306 0.916 20 0 FCADRL CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001591012895 991278759 /nfs/dbraw/zinc/27/87/59/991278759.db2.gz CDWQOGYYPSCLHA-ZDUSSCGKSA-N -2 0 371.415 0.041 20 0 FCADRL CN(CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)[C@H]1CCSC1 ZINC001598396887 991665076 /nfs/dbraw/zinc/66/50/76/991665076.db2.gz WECGMTMBJYPNMV-NSHDSACASA-N -2 0 358.441 0.627 20 0 FCADRL CS(=O)(=O)CCn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)n1 ZINC001599752762 992012295 /nfs/dbraw/zinc/01/22/95/992012295.db2.gz KSKOAUJHOKDUOC-UHFFFAOYSA-N -2 0 363.373 0.020 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)cn1 ZINC001599759644 992102996 /nfs/dbraw/zinc/10/29/96/992102996.db2.gz DMDXOYCWWANYNI-UHFFFAOYSA-N -2 0 371.415 0.549 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cn1 ZINC001599759935 992106879 /nfs/dbraw/zinc/10/68/79/992106879.db2.gz FFFMLBHGTFOWHZ-NWDGAFQWSA-N -2 0 353.400 0.636 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)N2CCSC[C@H](C(=O)[O-])C2)cn1 ZINC001599760351 992113186 /nfs/dbraw/zinc/11/31/86/992113186.db2.gz MJPWOKXOTDJMAV-SNVBAGLBSA-N -2 0 359.429 0.343 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCc1ocnc1C(=O)[O-] ZINC001599761644 992130375 /nfs/dbraw/zinc/13/03/75/992130375.db2.gz XENUNODAZWFADZ-UHFFFAOYSA-N -2 0 357.319 0.813 20 0 FCADRL CC(C)C[C@@H](NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)C(=O)[O-] ZINC001591441687 992536431 /nfs/dbraw/zinc/53/64/31/992536431.db2.gz IQBLRLGZBKFNNH-SNVBAGLBSA-N -2 0 354.363 0.257 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)cc1=O ZINC001591497802 992635492 /nfs/dbraw/zinc/63/54/92/992635492.db2.gz JBSHTPGZTJQTKH-LBPRGKRZSA-N -2 0 362.390 0.138 20 0 FCADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])nn1 ZINC001599599172 993790301 /nfs/dbraw/zinc/79/03/01/993790301.db2.gz JSQKSFUFPGHSEA-UHFFFAOYSA-N -2 0 366.355 0.943 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)OCC2CC2)c(CC(=O)[O-])c1 ZINC001599611388 993958556 /nfs/dbraw/zinc/95/85/56/993958556.db2.gz ICPOCAOHTMUSEW-SNVBAGLBSA-N -2 0 371.411 0.942 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)c(CC(=O)[O-])c1 ZINC001599613247 993981998 /nfs/dbraw/zinc/98/19/98/993981998.db2.gz QJTZCNMSUPRXRH-GFCCVEGCSA-N -2 0 357.384 0.854 20 0 FCADRL CNC(=O)c1ccc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)nc1 ZINC001598658808 994564622 /nfs/dbraw/zinc/56/46/22/994564622.db2.gz IDGDQCUEMZHWAQ-UHFFFAOYSA-N -2 0 350.356 0.644 20 0 FCADRL CNC(=O)c1cccc(CCC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001598659939 994579211 /nfs/dbraw/zinc/57/92/11/994579211.db2.gz FZMOAUMTIDCSDZ-GHMZBOCLSA-N -2 0 370.427 0.534 20 0 FCADRL COc1cccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)c1OC ZINC001599674376 994871996 /nfs/dbraw/zinc/87/19/96/994871996.db2.gz SWKGDSYDDXQFSJ-UHFFFAOYSA-N -2 0 356.356 0.911 20 0 FCADRL COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccccc1C(=O)[O-] ZINC001598689877 995047865 /nfs/dbraw/zinc/04/78/65/995047865.db2.gz SBRJVSWJUTZLQK-VHSXEESVSA-N -2 0 357.384 0.571 20 0 FCADRL COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001598694188 995110490 /nfs/dbraw/zinc/11/04/90/995110490.db2.gz XXKURRJLJLRYCX-VIFPVBQESA-N -2 0 368.367 0.347 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccn(C)n1 ZINC001598713422 995374879 /nfs/dbraw/zinc/37/48/79/995374879.db2.gz MZKAFFLXDTYARP-LBPRGKRZSA-N -2 0 371.346 0.450 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-])c1ccn(C)n1 ZINC001598713446 995375804 /nfs/dbraw/zinc/37/58/04/995375804.db2.gz NSJTUABNTLNACJ-ZDUSSCGKSA-N -2 0 367.383 0.619 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1)c1ccn(C)n1 ZINC001598714914 995393508 /nfs/dbraw/zinc/39/35/08/995393508.db2.gz VDNDUSTXMBOJCM-CQSZACIVSA-N -2 0 367.383 0.240 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1)c1ccn(C)n1 ZINC001598714913 995393887 /nfs/dbraw/zinc/39/38/87/995393887.db2.gz VDNDUSTXMBOJCM-AWEZNQCLSA-N -2 0 367.383 0.240 20 0 FCADRL COC(=O)[C@H]1CN(C(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)C[C@@H]1C(=O)[O-] ZINC001598813992 996254078 /nfs/dbraw/zinc/25/40/78/996254078.db2.gz AZKNEGRDGVQSIQ-STQMWFEESA-N -2 0 373.365 0.420 20 0 FCADRL C[C@]1(C(=O)[N-]S(=O)(=O)CC(=O)[O-])CCCN(C(=O)c2ccccc2)C1 ZINC001593755225 996402543 /nfs/dbraw/zinc/40/25/43/996402543.db2.gz OQJWUZMHMVBVEY-INIZCTEOSA-N -2 0 368.411 0.460 20 0 FCADRL C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)C1 ZINC001593783669 996496765 /nfs/dbraw/zinc/49/67/65/996496765.db2.gz PUCZYPCMQIOLGB-MOPGFXCFSA-N -2 0 374.393 0.565 20 0 FCADRL CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCc3c(cccc3C(=O)[O-])C2)CC1 ZINC001593783751 996497937 /nfs/dbraw/zinc/49/79/37/996497937.db2.gz TVKSGRIFLWIUIF-UHFFFAOYSA-N -2 0 374.393 0.983 20 0 FCADRL COc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])nc1Cl ZINC001599485307 996838758 /nfs/dbraw/zinc/83/87/58/996838758.db2.gz MXOBARKHOZDOCN-RNFRBKRXSA-N -2 0 350.780 0.912 20 0 FCADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)N(CCSC)CC(=O)[O-] ZINC001599380719 996838873 /nfs/dbraw/zinc/83/88/73/996838873.db2.gz RFPHLXHONLKKJB-UHFFFAOYSA-N -2 0 363.413 0.832 20 0 FCADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC001599382101 996873822 /nfs/dbraw/zinc/87/38/22/996873822.db2.gz KEQBTRGUPRDHIV-MEBBXXQBSA-N -2 0 373.383 0.646 20 0 FCADRL COC[C@@H]([N-]S(=O)(=O)c1nc(C)c(Br)s1)C(=O)[O-] ZINC001599177628 996881093 /nfs/dbraw/zinc/88/10/93/996881093.db2.gz DKCKQEDUGDFHRW-RXMQYKEDSA-N -2 0 359.223 0.592 20 0 FCADRL COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC001599488511 996896785 /nfs/dbraw/zinc/89/67/85/996896785.db2.gz NWGNYVKWNOAANJ-CABZTGNLSA-N -2 0 364.354 0.901 20 0 FCADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC001599281848 996903850 /nfs/dbraw/zinc/90/38/50/996903850.db2.gz NWZLKETYMGAEGK-AWEZNQCLSA-N -2 0 359.356 0.053 20 0 FCADRL CC1(C)CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)[C@@H](C(=O)[O-])CO1 ZINC001593946532 996996334 /nfs/dbraw/zinc/99/63/34/996996334.db2.gz LOIDWLVCKAHPHX-SNVBAGLBSA-N -2 0 361.347 0.777 20 0 FCADRL CC1(C)CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)[C@H](C(=O)[O-])CO1 ZINC001593947436 997004609 /nfs/dbraw/zinc/00/46/09/997004609.db2.gz VPZRAEGDRCYWSG-JTQLQIEISA-N -2 0 361.347 0.777 20 0 FCADRL COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC001599195894 997214842 /nfs/dbraw/zinc/21/48/42/997214842.db2.gz USLGMGCVGBZBMH-RRGWEWPQSA-N -2 0 369.395 0.896 20 0 FCADRL COc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)N(C)CCC(=O)[O-])cc1 ZINC001599514835 997365380 /nfs/dbraw/zinc/36/53/80/997365380.db2.gz MMZQYYRIGDDIPH-LBPRGKRZSA-N -2 0 360.388 0.452 20 0 FCADRL C[C@]1([N-]C(=O)C(F)(F)F)CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)C1 ZINC001594051332 997742619 /nfs/dbraw/zinc/74/26/19/997742619.db2.gz CZQHRQAQHASYNN-JTQLQIEISA-N -2 0 358.338 0.324 20 0 FCADRL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001594052089 997752223 /nfs/dbraw/zinc/75/22/23/997752223.db2.gz LWIUZQNIGMYVFW-CQSZACIVSA-N -2 0 374.319 0.861 20 0 FCADRL COC(=O)c1cc(F)cc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])c1F ZINC001598936715 997881336 /nfs/dbraw/zinc/88/13/36/997881336.db2.gz QSBDGFGQNBWKEQ-UHFFFAOYSA-N -2 0 360.269 0.603 20 0 FCADRL COc1ccc(C[C@H](C)C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cc1OC ZINC001599550994 998006319 /nfs/dbraw/zinc/00/63/19/998006319.db2.gz SYCKLGYALLNHFG-JTQLQIEISA-N -2 0 359.400 0.803 20 0 FCADRL CO[C@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)[C@@](C)(C(=O)[O-])C1 ZINC001599136353 998050622 /nfs/dbraw/zinc/05/06/22/998050622.db2.gz FPJJPPHEORISDO-IAQYHMDHSA-N -2 0 357.384 0.566 20 0 FCADRL COc1ccc(CCCC(=O)[N-]S(=O)(=O)CCC(=O)[O-])c(OC)c1 ZINC001599553928 998058328 /nfs/dbraw/zinc/05/83/28/998058328.db2.gz HNPOPTUUTXFNAK-UHFFFAOYSA-N -2 0 359.400 0.947 20 0 FCADRL CO[C@H]1COCC[C@@H]1CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001599137882 998075395 /nfs/dbraw/zinc/07/53/95/998075395.db2.gz INPZWAMXEVIRBE-KGLIPLIRSA-N -2 0 371.411 0.772 20 0 FCADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)nn1C ZINC001598948761 998105890 /nfs/dbraw/zinc/10/58/90/998105890.db2.gz FYEZRVCMVPIWDU-UHFFFAOYSA-N -2 0 369.355 0.714 20 0 FCADRL COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC(F)(F)C(=O)[O-])s1 ZINC001598949297 998117809 /nfs/dbraw/zinc/11/78/09/998117809.db2.gz ZXOUDZUVSKROFB-UHFFFAOYSA-N -2 0 359.328 0.542 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-][C@](C)(C(=O)[O-])c2ccccc2)on1 ZINC001598951403 998160339 /nfs/dbraw/zinc/16/03/39/998160339.db2.gz SDDAXLAIIINZDC-AWEZNQCLSA-N -2 0 354.340 0.740 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)n[nH]1 ZINC001598952661 998183061 /nfs/dbraw/zinc/18/30/61/998183061.db2.gz MJDRWQDXUHCXSS-JTQLQIEISA-N -2 0 371.293 0.224 20 0 FCADRL COc1cc(C(=O)[O-])ccc1CCNC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001599363678 998301310 /nfs/dbraw/zinc/30/13/10/998301310.db2.gz IKTDMBCOMNBGCI-ZDUSSCGKSA-N -2 0 352.343 0.431 20 0 FCADRL COc1cc(C(=O)[O-])ccc1CCNC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001599364462 998314168 /nfs/dbraw/zinc/31/41/68/998314168.db2.gz ZWWCFIBSURQOLU-UHFFFAOYSA-N -2 0 352.372 0.668 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NC2([C@H](C)C(=O)[O-])CC2)c1 ZINC001598963263 998371062 /nfs/dbraw/zinc/37/10/62/998371062.db2.gz ITHLCGHQMPHSOG-MRVPVSSYSA-N -2 0 371.367 0.703 20 0 FCADRL COCCOc1ccnc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)n1 ZINC001599261607 998395032 /nfs/dbraw/zinc/39/50/32/998395032.db2.gz QZZYITAJSOXPMB-UHFFFAOYSA-N -2 0 354.344 0.396 20 0 FCADRL COc1ccc(-n2nc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc2C)cc1 ZINC001599473170 998482842 /nfs/dbraw/zinc/48/28/42/998482842.db2.gz WQOWDQRFXGDTLD-JTQLQIEISA-N -2 0 367.383 0.722 20 0 FCADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)C1 ZINC001594209557 998811173 /nfs/dbraw/zinc/81/11/73/998811173.db2.gz DHKGJPDGGJIEMQ-YPMHNXCESA-N -2 0 354.403 0.659 20 0 FCADRL COC(=O)c1cn(CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c2ccccc12 ZINC001599008841 998878900 /nfs/dbraw/zinc/87/89/00/998878900.db2.gz YZMKOCQWJNHFRL-SECBINFHSA-N -2 0 368.367 0.347 20 0 FCADRL COC(=O)c1sc(S(=O)(=O)NC[C@H](C)C(=O)[O-])c(C(=O)[O-])c1C ZINC001599022475 998991811 /nfs/dbraw/zinc/99/18/11/998991811.db2.gz LOTHWUOIPWWXSH-YFKPBYRVSA-N -2 0 365.385 0.540 20 0 FCADRL CO[C@H](C(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1)[C@H]1CCOC1 ZINC001599028681 999034602 /nfs/dbraw/zinc/03/46/02/999034602.db2.gz QKPUFXZZPCZBOH-JQWIXIFHSA-N -2 0 358.372 0.209 20 0 FCADRL CO[C@@H](C(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1)[C@@H]1CCOC1 ZINC001599028683 999034630 /nfs/dbraw/zinc/03/46/30/999034630.db2.gz QKPUFXZZPCZBOH-ZYHUDNBSSA-N -2 0 358.372 0.209 20 0 FCADRL C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC[C@H]1C(=O)[O-] ZINC001594458106 999663799 /nfs/dbraw/zinc/66/37/99/999663799.db2.gz DVJOPLDYDXFMQY-GXFFZTMASA-N -2 0 364.354 0.658 20 0 FCADRL Cc1c(S(=O)(=O)[N-]c2cc3c(c(C(=O)[O-])c2)OCCO3)cnn1C ZINC000291799282 214057144 /nfs/dbraw/zinc/05/71/44/214057144.db2.gz ANWXQPPFJAWMLJ-UHFFFAOYSA-N -2 0 353.356 0.999 20 0 FCADRL Cc1nc(Cl)ccc1S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000287429957 213598782 /nfs/dbraw/zinc/59/87/82/213598782.db2.gz GRCJXYRKDPHABW-CYBMUJFWSA-N -2 0 362.791 0.984 20 0 FCADRL O=C(c1nn(-c2cccc(F)c2)cc1[O-])N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000367354478 216111849 /nfs/dbraw/zinc/11/18/49/216111849.db2.gz RFTYRRYQENHTCZ-GFCCVEGCSA-N -2 0 359.321 0.444 20 0 FCADRL CN(C)C(=O)c1cccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])c1 ZINC000278659620 212476743 /nfs/dbraw/zinc/47/67/43/212476743.db2.gz KHSYEAIQJOACCZ-GFCCVEGCSA-N -2 0 372.399 0.375 20 0 FCADRL COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000278152771 212432159 /nfs/dbraw/zinc/43/21/59/212432159.db2.gz BHNLITNZRMZWBA-QMMMGPOBSA-N -2 0 351.764 0.945 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1cc2c(cc1Cl)OCCO2)C(=O)[O-] ZINC000275198705 211981788 /nfs/dbraw/zinc/98/17/88/211981788.db2.gz GMQPASMKZILRAS-SSDOTTSWSA-N -2 0 365.747 0.317 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c(OC)c1 ZINC000275152687 211971313 /nfs/dbraw/zinc/97/13/13/211971313.db2.gz RXMSWODVRVPZLY-GHMZBOCLSA-N -2 0 373.383 0.500 20 0 FCADRL CC(=O)Nc1cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])ccc1C ZINC000274921497 211931094 /nfs/dbraw/zinc/93/10/94/211931094.db2.gz BFJPWBLWKZHKNY-SNVBAGLBSA-N -2 0 358.372 0.407 20 0 FCADRL O=C([O-])[C@H]1CN(C(=O)c2cc(F)c(F)c([O-])c2F)CCS1(=O)=O ZINC000424245499 247186975 /nfs/dbraw/zinc/18/69/75/247186975.db2.gz PBSKLLVIOSIJCH-SSDOTTSWSA-N -2 0 353.274 0.133 20 0 FCADRL O=C(c1cnc2[nH]c(=O)nc([O-])c2c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425286126 247315932 /nfs/dbraw/zinc/31/59/32/247315932.db2.gz AGQBFCSLVJTCDX-SSDOTTSWSA-N -2 0 358.314 0.544 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cn1 ZINC000436967113 248055607 /nfs/dbraw/zinc/05/56/07/248055607.db2.gz OMCUIIHGBFDJOS-UHFFFAOYSA-N -2 0 372.380 0.690 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cc(C(=O)[O-])c1C ZINC000471143817 250090837 /nfs/dbraw/zinc/09/08/37/250090837.db2.gz VJAXEMCHFUXKPO-UHFFFAOYSA-N -2 0 352.372 0.484 20 0 FCADRL CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1C ZINC000481612586 250346128 /nfs/dbraw/zinc/34/61/28/250346128.db2.gz RZKVEBDPQOGTBF-UHFFFAOYSA-N -2 0 373.412 0.730 20 0 FCADRL CCc1ccc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)cc1C(=O)[O-] ZINC000269705600 211049507 /nfs/dbraw/zinc/04/95/07/211049507.db2.gz ZOZHOHDSRBEQIG-UHFFFAOYSA-N -2 0 366.399 0.820 20 0 FCADRL Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c(Br)c1 ZINC000108444668 208245841 /nfs/dbraw/zinc/24/58/41/208245841.db2.gz COQSNYHPQXNGHJ-QMMMGPOBSA-N -2 0 366.189 0.964 20 0 FCADRL Cn1c(=O)oc2cc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])ccc21 ZINC000278742666 488892899 /nfs/dbraw/zinc/89/28/99/488892899.db2.gz QMVKGCABZZYYQU-SECBINFHSA-N -2 0 372.355 0.118 20 0 FCADRL COC(=O)c1ccc(C)c(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])c1 ZINC000278770502 488895048 /nfs/dbraw/zinc/89/50/48/488895048.db2.gz SOGXQQCEDSYHQR-LLVKDONJSA-N -2 0 373.383 0.768 20 0 FCADRL NC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cn1 ZINC000323368430 488903676 /nfs/dbraw/zinc/90/36/76/488903676.db2.gz ZDADRSDMGXCOER-UHFFFAOYSA-N -2 0 358.763 0.521 20 0 FCADRL COC(=O)c1ccc(CS(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000324164124 488905155 /nfs/dbraw/zinc/90/51/55/488905155.db2.gz DMQMJSWLGWBJCJ-LLVKDONJSA-N -2 0 359.356 0.211 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cnn(C[C@@H]3CCCO3)c2)cc1C(=O)[O-] ZINC000324876238 488907801 /nfs/dbraw/zinc/90/78/01/488907801.db2.gz LMOUBLIMJZJIHC-NSHDSACASA-N -2 0 354.388 0.900 20 0 FCADRL CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(OC)ccc2C(=O)[O-])cn1C ZINC000327443996 488919528 /nfs/dbraw/zinc/91/95/28/488919528.db2.gz HHRGDFAIBMPBRO-UHFFFAOYSA-N -2 0 367.383 0.892 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)[C@@H]2CCCO2)c(Cl)cc1F ZINC000063877620 488309793 /nfs/dbraw/zinc/30/97/93/488309793.db2.gz DJWCTUKFZVFMCY-VIFPVBQESA-N -2 0 366.754 0.666 20 0 FCADRL COCCCNC(=O)N[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000064940752 488314720 /nfs/dbraw/zinc/31/47/20/488314720.db2.gz GQKZCNWJFUHQGZ-UHFFFAOYSA-N -2 0 359.404 0.233 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)n1 ZINC000067890894 488357341 /nfs/dbraw/zinc/35/73/41/488357341.db2.gz ZOXQJTQTHUNRJL-UHFFFAOYSA-N -2 0 359.385 0.925 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2ccn(CC(=O)OC)n2)cc1C(=O)[O-] ZINC000270991404 488518344 /nfs/dbraw/zinc/51/83/44/488518344.db2.gz AFERJAVVPBUDBF-UHFFFAOYSA-N -2 0 356.360 0.377 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000108452920 488519409 /nfs/dbraw/zinc/51/94/09/488519409.db2.gz WHIBEOGNGCVBMY-ZETCQYMHSA-N -2 0 370.152 0.794 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@@H](C)CC(=O)[O-])c1 ZINC000262247339 488559260 /nfs/dbraw/zinc/55/92/60/488559260.db2.gz RHBQLWYXJSHQBS-VIFPVBQESA-N -2 0 371.415 0.857 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000274770326 488732699 /nfs/dbraw/zinc/73/26/99/488732699.db2.gz LTKXINFNNLZSEH-JTQLQIEISA-N -2 0 352.420 0.837 20 0 FCADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000274927249 488744301 /nfs/dbraw/zinc/74/43/01/488744301.db2.gz OEOCKVPXLBREDW-QMMMGPOBSA-N -2 0 365.747 0.333 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1cnn(Cc2ccccc2)c1)C(=O)[O-] ZINC000274928652 488744764 /nfs/dbraw/zinc/74/47/64/488744764.db2.gz CLZHHIMRORNGDX-LBPRGKRZSA-N -2 0 367.383 0.385 20 0 FCADRL CCN(CC)C(=O)c1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1 ZINC000274937194 488745511 /nfs/dbraw/zinc/74/55/11/488745511.db2.gz FMLMWBPQCZMOLD-UHFFFAOYSA-N -2 0 372.399 0.329 20 0 FCADRL CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000274939142 488745631 /nfs/dbraw/zinc/74/56/31/488745631.db2.gz QONFEJVCTVDCAE-LBPRGKRZSA-N -2 0 372.399 0.375 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])ccc1Cl ZINC000274950591 488747227 /nfs/dbraw/zinc/74/72/27/488747227.db2.gz SMZORBRUNYDOLO-SECBINFHSA-N -2 0 365.747 0.333 20 0 FCADRL COC(=O)c1cc(C)c(C)c(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000274969086 488749079 /nfs/dbraw/zinc/74/90/79/488749079.db2.gz WEPAZNWHKPNPDR-JTQLQIEISA-N -2 0 359.356 0.296 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000275012906 488753069 /nfs/dbraw/zinc/75/30/69/488753069.db2.gz QHPYDKNJMUQKOK-RXMQYKEDSA-N -2 0 357.171 0.842 20 0 FCADRL C[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000275076420 488759042 /nfs/dbraw/zinc/75/90/42/488759042.db2.gz HWMXEIIGNSBNJW-AWEZNQCLSA-N -2 0 368.371 0.311 20 0 FCADRL COC(=O)CC[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000275178629 488769563 /nfs/dbraw/zinc/76/95/63/488769563.db2.gz DBFKTMRGKANHML-VIFPVBQESA-N -2 0 355.290 0.789 20 0 FCADRL O=C([O-])[C@H]1CCCCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000275277197 488779621 /nfs/dbraw/zinc/77/96/21/488779621.db2.gz KQHNKPSCYAMJKB-SNVBAGLBSA-N -2 0 368.371 0.454 20 0 FCADRL COC[C@@H](NS(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161825402 488799047 /nfs/dbraw/zinc/79/90/47/488799047.db2.gz ANQRSRFSHVFNCK-MRVPVSSYSA-N -2 0 356.169 0.966 20 0 FCADRL Cc1cc2c(cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1)OCO2 ZINC000279904362 488974315 /nfs/dbraw/zinc/97/43/15/488974315.db2.gz CVKYAKAZVQYSQC-NXEZZACHSA-N -2 0 371.367 0.520 20 0 FCADRL C[C@H](CN(C)C(=O)Cn1c(=O)c2ccccc2[n-]c1=S)c1nnn[n-]1 ZINC000282335209 489155050 /nfs/dbraw/zinc/15/50/50/489155050.db2.gz OKWKMGWQXLYOKW-SECBINFHSA-N -2 0 359.415 0.460 20 0 FCADRL COC[C@@H](C)n1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)n1 ZINC000426390157 489565610 /nfs/dbraw/zinc/56/56/10/489565610.db2.gz HTISTYDXNSGTKE-SECBINFHSA-N -2 0 358.358 1.401 20 0 FCADRL COc1cc(C(=O)N[C@H](C)CC(=O)[O-])cc([N-]S(C)(=O)=O)c1OC ZINC000427740649 489619312 /nfs/dbraw/zinc/61/93/12/489619312.db2.gz AQRQTCYJCXHFIL-MRVPVSSYSA-N -2 0 360.388 0.668 20 0 FCADRL C[C@H](CC(=O)[O-])NC(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C)c1 ZINC000427763940 489620351 /nfs/dbraw/zinc/62/03/51/489620351.db2.gz VEYJQCPTQBFLPN-MRVPVSSYSA-N -2 0 372.428 0.875 20 0 FCADRL CCNC(=O)N1CCC(N(CC(=O)[O-])C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000417360743 489649323 /nfs/dbraw/zinc/64/93/23/489649323.db2.gz BJHFGWIYUNGQIP-QWHCGFSZSA-N -2 0 369.418 0.450 20 0 FCADRL COC(=O)Cn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1C ZINC000475818960 489851877 /nfs/dbraw/zinc/85/18/77/489851877.db2.gz QCRQVSALFRNEEG-UHFFFAOYSA-N -2 0 369.355 0.569 20 0 FCADRL COC(=O)Cn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1C ZINC000475828489 489852612 /nfs/dbraw/zinc/85/26/12/489852612.db2.gz DYTDAECPGQXQDI-UHFFFAOYSA-N -2 0 357.344 0.765 20 0 FCADRL O=C([O-])c1cn(CC[N-]S(=O)(=O)c2c(F)cc(F)cc2F)nn1 ZINC000390215871 490135951 /nfs/dbraw/zinc/13/59/51/490135951.db2.gz ZARJYYDBRVPYSW-UHFFFAOYSA-N -2 0 350.278 0.372 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cn1 ZINC000392033955 490146120 /nfs/dbraw/zinc/14/61/20/490146120.db2.gz ITUNWJKANXPCHL-UHFFFAOYSA-N -2 0 356.335 0.267 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)n1 ZINC000521322350 490248689 /nfs/dbraw/zinc/24/86/89/490248689.db2.gz KLCPZZNSXNNXMF-UHFFFAOYSA-N -2 0 353.356 0.484 20 0 FCADRL CCc1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2C(N)=O)cc1C(=O)[O-] ZINC000546885156 490256386 /nfs/dbraw/zinc/25/63/86/490256386.db2.gz DXWWNQJEWFZDNB-UHFFFAOYSA-N -2 0 352.372 0.878 20 0 FCADRL C[C@H]([C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-])C1CC1 ZINC000521906894 490311184 /nfs/dbraw/zinc/31/11/84/490311184.db2.gz NTHNHDOUZHDGSE-QUBYGPBYSA-N -2 0 368.371 0.214 20 0 FCADRL Cc1cnn(-c2ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc2F)c1 ZINC000547551446 490315733 /nfs/dbraw/zinc/31/57/33/490315733.db2.gz WMPPYCPPDLFVTJ-LLVKDONJSA-N -2 0 371.346 0.526 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1cccc(Br)c1)C(=O)[O-] ZINC000547897969 490380906 /nfs/dbraw/zinc/38/09/06/490380906.db2.gz FXGAVAKLHOMWHH-ZETCQYMHSA-N -2 0 366.189 0.903 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc3c(c2)COC3)CC[C@@H]1C(=O)[O-] ZINC000547921222 490386914 /nfs/dbraw/zinc/38/69/14/490386914.db2.gz GDLCKZOPZFMRRB-STQMWFEESA-N -2 0 355.368 0.513 20 0 FCADRL COc1ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc1OC ZINC000547939911 490392500 /nfs/dbraw/zinc/39/25/00/490392500.db2.gz OWVXADRAGWDNIY-CQSZACIVSA-N -2 0 361.372 0.548 20 0 FCADRL CC[C@@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)CC(=O)[O-] ZINC000548268194 490453901 /nfs/dbraw/zinc/45/39/01/490453901.db2.gz ZJGDHMXUEXUEAJ-SSDOTTSWSA-N -2 0 356.360 0.215 20 0 FCADRL C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc21 ZINC000548267627 490454153 /nfs/dbraw/zinc/45/41/53/490454153.db2.gz OIFRXWMDSVIYFW-AYVTZFPOSA-N -2 0 370.383 0.586 20 0 FCADRL C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc21 ZINC000548267629 490454367 /nfs/dbraw/zinc/45/43/67/490454367.db2.gz OIFRXWMDSVIYFW-VXJOIVPMSA-N -2 0 370.383 0.586 20 0 FCADRL C[C@](CNS(=O)(=O)Cc1c(F)cccc1F)(CC(=O)[O-])C(=O)[O-] ZINC000548264961 490454616 /nfs/dbraw/zinc/45/46/16/490454616.db2.gz YRGGCFHBLFGQNM-CYBMUJFWSA-N -2 0 351.327 0.950 20 0 FCADRL COC(=O)c1ccc(CS(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC000548267463 490454653 /nfs/dbraw/zinc/45/46/53/490454653.db2.gz IQEQHOCGJDDWIJ-OAHLLOKOSA-N -2 0 373.383 0.458 20 0 FCADRL Cc1nnnn1-c1cc([N-]S(=O)(=O)c2cnn(C)c2)ccc1C(=O)[O-] ZINC000548596681 490515559 /nfs/dbraw/zinc/51/55/59/490515559.db2.gz QLOCXPAUIHLWHC-UHFFFAOYSA-N -2 0 363.359 0.203 20 0 FCADRL CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cn1 ZINC000485271466 490521316 /nfs/dbraw/zinc/52/13/16/490521316.db2.gz LXLRDKRLCBGRGT-UHFFFAOYSA-N -2 0 370.362 0.609 20 0 FCADRL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000539195479 490768236 /nfs/dbraw/zinc/76/82/36/490768236.db2.gz BTUKTVNQSXVAPK-UHFFFAOYSA-N -2 0 357.319 0.845 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(OC)cc2C(=O)[O-])cn1 ZINC000504665298 490808741 /nfs/dbraw/zinc/80/87/41/490808741.db2.gz CURGPDZRJMLKDS-UHFFFAOYSA-N -2 0 369.355 0.564 20 0 FCADRL COC(=O)c1cc(F)cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000517211034 490899147 /nfs/dbraw/zinc/89/91/47/490899147.db2.gz SOQWRWYGZNZADV-JTQLQIEISA-N -2 0 363.319 0.209 20 0 FCADRL O=C([O-])[C@H](CC1CCC1)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000530367474 490901417 /nfs/dbraw/zinc/90/14/17/490901417.db2.gz TYPGITJWDUZQMF-JTQLQIEISA-N -2 0 368.371 0.358 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)N(C)C)c2)cc1C(=O)[O-] ZINC000558732800 491444454 /nfs/dbraw/zinc/44/44/54/491444454.db2.gz ZULASBJWWZURNZ-UHFFFAOYSA-N -2 0 369.403 0.292 20 0 FCADRL COCc1ccc(OC)c(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000573729693 491451153 /nfs/dbraw/zinc/45/11/53/491451153.db2.gz KLBCMOPNNUITLL-JTQLQIEISA-N -2 0 361.372 0.438 20 0 FCADRL CCOC(=O)Cc1cccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000575145008 491541973 /nfs/dbraw/zinc/54/19/73/491541973.db2.gz IGMWOJGYJDXBLB-LBPRGKRZSA-N -2 0 373.383 0.389 20 0 FCADRL Cc1ccc(-c2cc(=NC(=O)C(=O)N=c3nc4n([n-]3)CCCC4)[nH][n-]2)o1 ZINC000568753993 491606713 /nfs/dbraw/zinc/60/67/13/491606713.db2.gz BSGGDQDNNUGENJ-UHFFFAOYSA-N -2 0 355.358 0.327 20 0 FCADRL O=C([O-])c1coc(NC2CCN(S(=O)(=O)[N-]CC(F)(F)F)CC2)n1 ZINC000568869216 491615938 /nfs/dbraw/zinc/61/59/38/491615938.db2.gz RDMIIQWPRUXEQI-UHFFFAOYSA-N -2 0 372.325 0.646 20 0 FCADRL CC(F)(F)CNS(=O)(=O)CCCS(=O)(=O)NCC(C)(F)F ZINC000578209349 491672148 /nfs/dbraw/zinc/67/21/48/491672148.db2.gz WWLXPYNHELOTFI-UHFFFAOYSA-N -2 0 358.379 0.526 20 0 FCADRL CC[C@@H](NC(=O)c1cc([N-]S(C)(=O)=O)c(OC)c(OC)c1)C(=O)[O-] ZINC000578298306 491674108 /nfs/dbraw/zinc/67/41/08/491674108.db2.gz QHKAALMRAOLYLW-SECBINFHSA-N -2 0 360.388 0.668 20 0 FCADRL CCN(C)C(=O)c1cccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000584857108 491717547 /nfs/dbraw/zinc/71/75/47/491717547.db2.gz CDIFCRKURJJKTO-LLVKDONJSA-N -2 0 372.399 0.232 20 0 FCADRL CN(C)C(=O)c1ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC000581670324 491782152 /nfs/dbraw/zinc/78/21/52/491782152.db2.gz ZKFBXQOJKKXCTM-HNNXBMFYSA-N -2 0 372.399 0.232 20 0 FCADRL Cc1ncsc1CCS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000582006409 491793840 /nfs/dbraw/zinc/79/38/40/491793840.db2.gz JKJCWWPRSHXJGL-UWVGGRQHSA-N -2 0 362.429 0.431 20 0 FCADRL COC(=O)C(C)(C)n1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1 ZINC000596023417 491971785 /nfs/dbraw/zinc/97/17/85/491971785.db2.gz YIYFTKNKZILBJO-UHFFFAOYSA-N -2 0 356.360 0.618 20 0 FCADRL COC(=O)c1cc(C)c(C)c(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000614327733 492024711 /nfs/dbraw/zinc/02/47/11/492024711.db2.gz YBCMZGFZONRRQH-LLVKDONJSA-N -2 0 373.383 0.686 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)cc1C(=O)[O-] ZINC000605118928 492082673 /nfs/dbraw/zinc/08/26/73/492082673.db2.gz QFHJHIVMJRBCCS-UHFFFAOYSA-N -2 0 368.371 0.266 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cn1 ZINC000609575524 492214706 /nfs/dbraw/zinc/21/47/06/492214706.db2.gz FRIHYUZMZMLTIH-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL CCOC(=O)c1nc([N-]S(=O)(=O)c2scnc2C(=O)OC)c[nH]1 ZINC000618906297 492242621 /nfs/dbraw/zinc/24/26/21/492242621.db2.gz DZWPXRJESNGRMG-UHFFFAOYSA-N -2 0 360.373 0.630 20 0 FCADRL CC[C@@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000647629302 492338647 /nfs/dbraw/zinc/33/86/47/492338647.db2.gz JLJFMCNCDLATDN-XCBNKYQSSA-N -2 0 368.371 0.452 20 0 FCADRL Cn1nc(C(F)(F)F)cc1S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000629301820 492604812 /nfs/dbraw/zinc/60/48/12/492604812.db2.gz QQRYBZKYVLKEBV-ZCFIWIBFSA-N -2 0 373.309 0.425 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCc2ccc(F)cc2)C1 ZINC000656514395 492627978 /nfs/dbraw/zinc/62/79/78/492627978.db2.gz PYPYDZZUXNPANV-HNNXBMFYSA-N -2 0 359.375 0.949 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)CCc2ccc(F)cc2)CC[C@@H]1C(=O)[O-] ZINC000656514878 492628123 /nfs/dbraw/zinc/62/81/23/492628123.db2.gz YQOGSHPUCUCPOF-STQMWFEESA-N -2 0 359.375 0.805 20 0 FCADRL O=C([O-])[C@@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)CC1CC1 ZINC000650431151 492642938 /nfs/dbraw/zinc/64/29/38/492642938.db2.gz JENUDJBXYNLNBW-MRVPVSSYSA-N -2 0 368.371 0.215 20 0 FCADRL CC1(C)C(=O)Nc2ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc21 ZINC000681563411 493186995 /nfs/dbraw/zinc/18/69/95/493186995.db2.gz QYZJNBULVPUJNA-LLVKDONJSA-N -2 0 370.383 0.513 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c12)C(=O)[O-] ZINC000681563749 493187254 /nfs/dbraw/zinc/18/72/54/493187254.db2.gz XAQXWWYUYRBKIE-SSDOTTSWSA-N -2 0 361.763 0.813 20 0 FCADRL Cc1noc2ncc(S(=O)(=O)N3CC[C@](CC(=O)[O-])(C(=O)[O-])C3)cc12 ZINC000681590410 493193269 /nfs/dbraw/zinc/19/32/69/493193269.db2.gz WSUMIYBDRHLBHR-CQSZACIVSA-N -2 0 369.355 0.471 20 0 FCADRL O=C([O-])[C@@H](C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1)C1CCCC1 ZINC000663117155 493572243 /nfs/dbraw/zinc/57/22/43/493572243.db2.gz NDYJPOQHWXKLPK-SWLSCSKDSA-N -2 0 366.414 0.802 20 0 FCADRL CCN(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@@H](C)C(=O)[O-] ZINC000663126801 493573022 /nfs/dbraw/zinc/57/30/22/493573022.db2.gz ZLUOYWHRSCQHLE-QMMMGPOBSA-N -2 0 350.343 0.565 20 0 FCADRL CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCOC1 ZINC000594689133 546814868 /nfs/dbraw/zinc/81/48/68/546814868.db2.gz DBADVTMSXFLXMD-XVKPBYJWSA-N -2 0 363.310 0.034 20 0 FCADRL COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-] ZINC000737722688 599797108 /nfs/dbraw/zinc/79/71/08/599797108.db2.gz BACJNADWFDEOEL-UHFFFAOYSA-N -2 0 367.426 0.548 20 0 FCADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)c(O)c1 ZINC000823387334 599695339 /nfs/dbraw/zinc/69/53/39/599695339.db2.gz IPBDPQLOBKAPBU-UHFFFAOYSA-N -2 0 362.327 0.466 20 0 FCADRL CCOC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000737146356 599727790 /nfs/dbraw/zinc/72/77/90/599727790.db2.gz LPYCIMGOEYLTPK-NWDGAFQWSA-N -2 0 370.383 0.458 20 0 FCADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC000739920923 599739940 /nfs/dbraw/zinc/73/99/40/599739940.db2.gz WIWPJILMZKVWSY-UHFFFAOYSA-N -4 0 369.311 0.165 20 0 FCADRL CS(=O)(=O)c1nc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)n[n-]1 ZINC000738176126 599741011 /nfs/dbraw/zinc/74/10/11/599741011.db2.gz LOIKJNFBAOYNKT-UHFFFAOYSA-N -2 0 363.355 0.500 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCNC(=O)C3)nc2)o1 ZINC000740306479 599802922 /nfs/dbraw/zinc/80/29/22/599802922.db2.gz FYRTVGUOGBDYAV-UHFFFAOYSA-N -2 0 366.355 0.110 20 0 FCADRL NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000739178069 599824068 /nfs/dbraw/zinc/82/40/68/599824068.db2.gz SGYLQXKZDFEKTI-UHFFFAOYSA-N -2 0 368.392 0.805 20 0 FCADRL CN(CCCC(=O)[N-]S(=O)(=O)N1CCc2sccc2C1)C(=O)[O-] ZINC000737427686 599912759 /nfs/dbraw/zinc/91/27/59/599912759.db2.gz UAJNHEXSJYTUJO-UHFFFAOYSA-N -2 0 361.445 0.857 20 0 FCADRL COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)C(C)C ZINC000737634830 599965919 /nfs/dbraw/zinc/96/59/19/599965919.db2.gz XNVBNOKTZXMSEQ-NSHDSACASA-N -2 0 358.372 0.570 20 0 FCADRL CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cn1 ZINC000737350306 600098975 /nfs/dbraw/zinc/09/89/75/600098975.db2.gz YRNFLPQATXEQSZ-UHFFFAOYSA-N -2 0 358.401 0.532 20 0 FCADRL O=C([O-])CCc1nnc(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)s1 ZINC000739782183 600205247 /nfs/dbraw/zinc/20/52/47/600205247.db2.gz VCYBBGWJIIMBQF-UHFFFAOYSA-N -2 0 362.327 0.557 20 0 FCADRL CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cc1 ZINC000737558268 600230531 /nfs/dbraw/zinc/23/05/31/600230531.db2.gz VCWWIJFJYACCGZ-UHFFFAOYSA-N -2 0 374.400 0.125 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2C)c1C(=O)[O-] ZINC000738828477 600231022 /nfs/dbraw/zinc/23/10/22/600231022.db2.gz XWLLTUMLNUVTJN-UHFFFAOYSA-N -2 0 363.359 0.501 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)c1C(=O)[O-] ZINC000738829288 600232802 /nfs/dbraw/zinc/23/28/02/600232802.db2.gz PIBFNMCDJZPECO-UHFFFAOYSA-N -2 0 362.371 0.857 20 0 FCADRL Cc1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1S(C)(=O)=O ZINC000738513909 600461590 /nfs/dbraw/zinc/46/15/90/600461590.db2.gz WQKXALFHJUUVIB-UHFFFAOYSA-N -2 0 363.413 0.323 20 0 FCADRL Cc1cccc([C@@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])NC(N)=O)c1 ZINC000738694002 600461619 /nfs/dbraw/zinc/46/16/19/600461619.db2.gz WTFSGBQWIRACIM-GFCCVEGCSA-N -2 0 371.415 0.405 20 0 FCADRL C[C@@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])NC(=O)c1ccccc1 ZINC000736549503 600462953 /nfs/dbraw/zinc/46/29/53/600462953.db2.gz WDSAULFYQCRHIQ-NSHDSACASA-N -2 0 356.400 0.506 20 0 FCADRL COC(=O)COc1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1 ZINC000737622662 600464212 /nfs/dbraw/zinc/46/42/12/600464212.db2.gz QTQFEMNBQXXZFG-UHFFFAOYSA-N -2 0 359.356 0.163 20 0 FCADRL CCCc1c(C(=O)[N-]S(=O)(=O)CCCC(=O)OC)[nH]c(C)c1C(=O)[O-] ZINC000737043099 600464326 /nfs/dbraw/zinc/46/43/26/600464326.db2.gz GXFNWOMNFGHWDD-UHFFFAOYSA-N -2 0 374.415 0.987 20 0 FCADRL C[C@@]1(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])Cc2ccccc2C(=O)O1 ZINC000736727098 600464715 /nfs/dbraw/zinc/46/47/15/600464715.db2.gz CMYDDCRHRNKENP-HNNXBMFYSA-N -2 0 355.368 0.469 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)c1C(=O)[O-] ZINC000738335421 600482036 /nfs/dbraw/zinc/48/20/36/600482036.db2.gz PRSVTPQVVDNSAX-UHFFFAOYSA-N -2 0 353.282 0.976 20 0 FCADRL CC(=O)c1[nH]c(CC(=O)NC2(c3nnn[n-]3)CCCC2)c(C(=O)[O-])c1C ZINC000736182624 600538848 /nfs/dbraw/zinc/53/88/48/600538848.db2.gz RAWPXDZUPCUODQ-UHFFFAOYSA-N -2 0 360.374 0.865 20 0 FCADRL Cc1nn2c([n-]nc2SCc2noc(CCCC(=O)[O-])n2)nc1=O ZINC000738927270 600552087 /nfs/dbraw/zinc/55/20/87/600552087.db2.gz JLCDZYBUBQALBG-UHFFFAOYSA-N -2 0 351.348 0.204 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)C2C[C@@H]3COC[C@H](C2)C3=O)s1 ZINC000740173338 600658569 /nfs/dbraw/zinc/65/85/69/600658569.db2.gz IWYCGICLOHYRLL-CBLAIPOGSA-N -2 0 373.408 0.493 20 0 FCADRL CCOC(=O)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000325118599 600673408 /nfs/dbraw/zinc/67/34/08/600673408.db2.gz QTPHJFMKUGGICQ-UHFFFAOYSA-N -2 0 353.356 0.945 20 0 FCADRL NC(=O)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1Cl ZINC000390400072 600674638 /nfs/dbraw/zinc/67/46/38/600674638.db2.gz HOFTWAZGROMPNW-UHFFFAOYSA-N -2 0 358.763 0.521 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1)c1cccs1 ZINC000831084093 600744267 /nfs/dbraw/zinc/74/42/67/600744267.db2.gz GPYSDOUHVHANON-LLVKDONJSA-N -2 0 359.385 0.222 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc(CN3CCOCC3)cs2)c[nH]1 ZINC000833306256 600977573 /nfs/dbraw/zinc/97/75/73/600977573.db2.gz LNVMASJOIWUUNT-UHFFFAOYSA-N -2 0 372.428 0.802 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cn2)c[nH]1 ZINC000833305828 600981910 /nfs/dbraw/zinc/98/19/10/600981910.db2.gz CBSMXQGCUABSHZ-UHFFFAOYSA-N -2 0 352.372 0.745 20 0 FCADRL CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)s1 ZINC000825853642 600986277 /nfs/dbraw/zinc/98/62/77/600986277.db2.gz DBICXCTUDLUQMC-SSDOTTSWSA-N -2 0 373.416 0.422 20 0 FCADRL CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ncn(CC(=O)[O-])n3)ccc21 ZINC000825847469 600986401 /nfs/dbraw/zinc/98/64/01/600986401.db2.gz STJLADOWSHMYAQ-UHFFFAOYSA-N -2 0 365.371 0.073 20 0 FCADRL COCCN(CCC(=O)[O-])C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000831724916 601122375 /nfs/dbraw/zinc/12/23/75/601122375.db2.gz GNEDWVLABWYPMZ-UHFFFAOYSA-N -2 0 365.411 0.635 20 0 FCADRL CCCCC(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000829266865 601142979 /nfs/dbraw/zinc/14/29/79/601142979.db2.gz MJJZLCPERWQGQU-SNVBAGLBSA-N -2 0 366.461 0.389 20 0 FCADRL CCCc1c(C(=O)[N-]S(=O)(=O)N2CCOCC2)[nH]c(C)c1C(=O)[O-] ZINC000829562713 601143022 /nfs/dbraw/zinc/14/30/22/601143022.db2.gz RSXRJVXYAXFNLD-UHFFFAOYSA-N -2 0 359.404 0.281 20 0 FCADRL Cc1oc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)nc2)cc1C(=O)[O-] ZINC000833030173 601232179 /nfs/dbraw/zinc/23/21/79/601232179.db2.gz SNDUZRIAFPRHKI-UHFFFAOYSA-N -2 0 360.369 0.886 20 0 FCADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)n1 ZINC000833277313 601234493 /nfs/dbraw/zinc/23/44/93/601234493.db2.gz LRCGYVZGEAVDBJ-UHFFFAOYSA-N -3 0 361.282 0.745 20 0 FCADRL Cn1ncc2cc(C(=O)[N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)cnc21 ZINC000833060959 601303031 /nfs/dbraw/zinc/30/30/31/601303031.db2.gz KJHKILDXDCTIGP-UHFFFAOYSA-N -2 0 366.380 0.847 20 0 FCADRL Cc1oc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)cc1S(N)(=O)=O ZINC000833024707 601559441 /nfs/dbraw/zinc/55/94/41/601559441.db2.gz SEPAMWLRJDAVNG-UHFFFAOYSA-N -2 0 374.400 0.747 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)C[C@H](C)C(=O)[O-])c1cc(F)ccc1F ZINC000831077849 601786084 /nfs/dbraw/zinc/78/60/84/601786084.db2.gz CSHPQONCMZYKPV-WRWORJQWSA-N -2 0 351.327 0.819 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)Cc2cccc(F)c2F)CC1 ZINC000833117746 601809253 /nfs/dbraw/zinc/80/92/53/601809253.db2.gz WIRNXXRFZANIRX-UHFFFAOYSA-N -2 0 362.354 0.665 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)cn1 ZINC000833273865 601990364 /nfs/dbraw/zinc/99/03/64/601990364.db2.gz IDPFPGNZVOFLKB-UHFFFAOYSA-N -2 0 371.396 0.098 20 0 FCADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000827304588 602195519 /nfs/dbraw/zinc/19/55/19/602195519.db2.gz YCJIDYXBIZEWBD-NSHDSACASA-N -2 0 351.384 0.847 20 0 FCADRL CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1C ZINC000831038239 602203470 /nfs/dbraw/zinc/20/34/70/602203470.db2.gz KDWXRKMCDOWCKG-UHFFFAOYSA-N -2 0 374.396 0.995 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCc1nnc(C2CCCC2)o1 ZINC000833227954 602258146 /nfs/dbraw/zinc/25/81/46/602258146.db2.gz FOYNLEFDWUDBHT-UHFFFAOYSA-N -2 0 359.404 0.971 20 0 FCADRL C[C@@H](Sc1ccccn1)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000827921591 602347351 /nfs/dbraw/zinc/34/73/51/602347351.db2.gz HFTZQMYJLMKRLQ-SNVBAGLBSA-N -2 0 373.456 0.720 20 0 FCADRL CN(CC(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1)C(=O)[O-] ZINC000828114336 603486225 /nfs/dbraw/zinc/48/62/25/603486225.db2.gz DOCKKGDSDPGSBS-UHFFFAOYSA-N -2 0 356.335 0.426 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)[O-])C(C)C)cc1C(N)=O ZINC000738295795 604376070 /nfs/dbraw/zinc/37/60/70/604376070.db2.gz LDDJCWSCGUKYNT-NSHDSACASA-N -2 0 357.388 0.191 20 0 FCADRL CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000827011850 604436987 /nfs/dbraw/zinc/43/69/87/604436987.db2.gz RNVFRNDKGNGGAU-SNVBAGLBSA-N -2 0 350.331 0.386 20 0 FCADRL C[C@H](CC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccncc1 ZINC000827234297 604730652 /nfs/dbraw/zinc/73/06/52/604730652.db2.gz CLKZDCQPYZPZEG-LLVKDONJSA-N -2 0 355.416 0.733 20 0 FCADRL O=C([O-])[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000833361401 604732414 /nfs/dbraw/zinc/73/24/14/604732414.db2.gz VWQYGDPFOHIODJ-NTSWFWBYSA-N -2 0 374.758 0.197 20 0 FCADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000827303982 604736392 /nfs/dbraw/zinc/73/63/92/604736392.db2.gz MXBDZNCYLSOCEX-VHSXEESVSA-N -2 0 364.420 0.553 20 0 FCADRL CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000828557860 604816549 /nfs/dbraw/zinc/81/65/49/604816549.db2.gz OAULCQYXNKOZFN-MRVPVSSYSA-N -2 0 360.413 0.510 20 0 FCADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000833014204 604879814 /nfs/dbraw/zinc/87/98/14/604879814.db2.gz KSIFRWGVROPURI-UHFFFAOYSA-N -2 0 355.347 0.993 20 0 FCADRL O=C([O-])CCOc1ccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000833774884 604881352 /nfs/dbraw/zinc/88/13/52/604881352.db2.gz LECGILYDPPREMR-LBPRGKRZSA-N -2 0 359.356 0.014 20 0 FCADRL O=C([O-])CCOc1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000833774883 604881362 /nfs/dbraw/zinc/88/13/62/604881362.db2.gz LECGILYDPPREMR-GFCCVEGCSA-N -2 0 359.356 0.014 20 0 FCADRL CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)cc1 ZINC000392138392 604889627 /nfs/dbraw/zinc/88/96/27/604889627.db2.gz RBHKKOOVEQLHDF-UHFFFAOYSA-N -2 0 371.396 0.489 20 0 FCADRL CCc1nc([N-]S(=O)(=O)c2cc(C(=O)NC)n(C)c2)sc1C(=O)[O-] ZINC000833675891 604991378 /nfs/dbraw/zinc/99/13/78/604991378.db2.gz VNIJXYOTRUCZKI-UHFFFAOYSA-N -2 0 372.428 0.903 20 0 FCADRL COc1c([N-]S(=O)(=O)c2csnc2C(=O)[O-])cccc1C(N)=O ZINC000833726481 605169991 /nfs/dbraw/zinc/16/99/91/605169991.db2.gz ASZBHLFWJUTHTJ-UHFFFAOYSA-N -2 0 357.369 0.750 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2cnc(C(=O)[O-])cn2)c1 ZINC000833717229 605679945 /nfs/dbraw/zinc/67/99/45/605679945.db2.gz WTWSNUGTANLVHC-UHFFFAOYSA-N -2 0 365.323 0.080 20 0 FCADRL COc1cc(CC(=O)[O-])cc(S(=O)(=O)[N-]c2ccn(C)n2)c1OC ZINC000325548769 663281724 /nfs/dbraw/zinc/28/17/24/663281724.db2.gz UUOOUMIPPYXTNE-UHFFFAOYSA-N -2 0 355.372 0.865 20 0 FCADRL CCN(CC(=O)[O-])C(=O)c1cnc(I)c([O-])c1 ZINC000908952013 666222711 /nfs/dbraw/zinc/22/27/11/666222711.db2.gz IHLAZOWWGKSATA-UHFFFAOYSA-N -2 0 350.112 0.939 20 0 FCADRL Cn1cc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1C(=O)[O-] ZINC000913072395 666494551 /nfs/dbraw/zinc/49/45/51/666494551.db2.gz QYEUDLFHQACWPP-AWEZNQCLSA-N -2 0 364.379 0.924 20 0 FCADRL CC[C@@H](NC(=O)c1cnc(I)c([O-])c1)C(=O)[O-] ZINC000901467659 666502023 /nfs/dbraw/zinc/50/20/23/666502023.db2.gz SZERYGQWKOJERS-ZCFIWIBFSA-N -2 0 350.112 0.985 20 0 FCADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)c1cnccn1 ZINC000055579878 666543378 /nfs/dbraw/zinc/54/33/78/666543378.db2.gz GLPZYGZQKAKGGA-UHFFFAOYSA-N -3 0 364.383 0.922 20 0 FCADRL COc1ccc(S(=O)(=O)[N-][N-]C(=O)c2cnccn2)c2cccnc12 ZINC000055579911 666543388 /nfs/dbraw/zinc/54/33/88/666543388.db2.gz BJMXTZIOCXQAAS-UHFFFAOYSA-N -2 0 359.367 0.657 20 0 FCADRL CN(CCCC(=O)[O-])S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000919955998 667208700 /nfs/dbraw/zinc/20/87/00/667208700.db2.gz QSDPIUBVBKFFHE-UHFFFAOYSA-N -2 0 359.356 0.641 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)cn1 ZINC000759830695 667823313 /nfs/dbraw/zinc/82/33/13/667823313.db2.gz SHGLMFMPXUDNAE-UHFFFAOYSA-N -2 0 369.321 0.352 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)cc(C(=O)[O-])c1F ZINC000763284274 667948618 /nfs/dbraw/zinc/94/86/18/667948618.db2.gz NEZMEJAZULBYIF-UHFFFAOYSA-N -2 0 356.335 0.315 20 0 FCADRL CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000770619390 668206170 /nfs/dbraw/zinc/20/61/70/668206170.db2.gz VBHBTQYMGCTOJK-UHFFFAOYSA-N -2 0 370.456 0.539 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1ccc2nc(Cl)cnc2c1)C(=O)[O-] ZINC000776437449 668261785 /nfs/dbraw/zinc/26/17/85/668261785.db2.gz MEIQJHKVMZBIAV-VIFPVBQESA-N -2 0 373.774 0.880 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccc2nc(Cl)cnc2c1)C(=O)[O-] ZINC000776444243 668262973 /nfs/dbraw/zinc/26/29/73/668262973.db2.gz MNGJEFVIPHLRDE-VIFPVBQESA-N -2 0 359.747 0.489 20 0 FCADRL C[C@](CNS(=O)(=O)c1ccc2oc(=O)ccc2c1)(CC(=O)[O-])C(=O)[O-] ZINC000776585227 668274885 /nfs/dbraw/zinc/27/48/85/668274885.db2.gz UYOARVMOZQWBHC-OAHLLOKOSA-N -2 0 369.351 0.637 20 0 FCADRL O=C(NCc1n[nH]c(=O)[n-]1)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC000782720562 668576922 /nfs/dbraw/zinc/57/69/22/668576922.db2.gz SBFVXVIHWZJDJR-UHFFFAOYSA-N -2 0 365.293 0.702 20 0 FCADRL C[C@@](CNS(=O)(=O)C1=Cc2ccccc2OC1)(CC(=O)[O-])C(=O)[O-] ZINC000790618577 668878685 /nfs/dbraw/zinc/87/86/85/668878685.db2.gz XRALFYOSGGXDAH-HNNXBMFYSA-N -2 0 355.368 0.905 20 0 FCADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1c(F)cccc1I ZINC000820288692 669077524 /nfs/dbraw/zinc/07/75/24/669077524.db2.gz NYYUQEBTFILWNM-UHFFFAOYSA-N -2 0 364.074 0.817 20 0 FCADRL Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000816085527 669939464 /nfs/dbraw/zinc/93/94/64/669939464.db2.gz HMNXBXFQAVWURA-VIFPVBQESA-N -2 0 370.353 0.237 20 0 FCADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000837290940 670095245 /nfs/dbraw/zinc/09/52/45/670095245.db2.gz HYHMWLINPCVBAN-BQBZGAKWSA-N -2 0 364.342 0.835 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000844792246 670944228 /nfs/dbraw/zinc/94/42/28/670944228.db2.gz JFKBCCUYBRJBCJ-GFCCVEGCSA-N -2 0 366.754 0.814 20 0 FCADRL O=C(CS(=O)(=O)CC(=O)[N-]OC/C=C\Cl)[N-]OC/C=C\Cl ZINC000848105359 671250709 /nfs/dbraw/zinc/25/07/09/671250709.db2.gz PKXHLYUABFCMBS-CCAGOZQPSA-N -2 0 361.203 0.002 20 0 FCADRL CCc1nc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])no1 ZINC000852736823 671521869 /nfs/dbraw/zinc/52/18/69/671521869.db2.gz OOJNQUSSUQLSBM-XCBNKYQSSA-N -2 0 350.297 0.728 20 0 FCADRL Cc1nnsc1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852958413 671533961 /nfs/dbraw/zinc/53/39/61/671533961.db2.gz KZHIBQNEYQIDLG-NKWVEPMBSA-N -2 0 366.321 0.583 20 0 FCADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000863952270 672163548 /nfs/dbraw/zinc/16/35/48/672163548.db2.gz QFYVHOODMHKZBB-UHFFFAOYSA-N -2 0 367.387 0.358 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000863953698 672164566 /nfs/dbraw/zinc/16/45/66/672164566.db2.gz VNNNCJPEZHJYMS-LLVKDONJSA-N -2 0 363.413 0.252 20 0 FCADRL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CCCC2)s1 ZINC000863954923 672165242 /nfs/dbraw/zinc/16/52/42/672165242.db2.gz RYIAIGYNLXATPC-SNVBAGLBSA-N -2 0 360.413 0.543 20 0 FCADRL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])CC2(C)C)c1 ZINC000863955628 672165595 /nfs/dbraw/zinc/16/55/95/672165595.db2.gz SDVMOYNPCIQHAE-INIZCTEOSA-N -2 0 368.411 0.694 20 0 FCADRL COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000863958826 672167176 /nfs/dbraw/zinc/16/71/76/672167176.db2.gz LCRNVRWPIAGKCK-ZJUUUORDSA-N -2 0 373.383 0.407 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000863959462 672167373 /nfs/dbraw/zinc/16/73/73/672167373.db2.gz FQNXXEVWXWQSIE-CQSZACIVSA-N -2 0 355.412 0.967 20 0 FCADRL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])nc1 ZINC000863961097 672168401 /nfs/dbraw/zinc/16/84/01/672168401.db2.gz GPIDNPMASYDVRT-LLVKDONJSA-N -2 0 358.372 0.571 20 0 FCADRL Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)C3(C(=O)[O-])CC=CC3)cc12 ZINC000863962335 672169246 /nfs/dbraw/zinc/16/92/46/672169246.db2.gz HDCLBLWNGQWCSF-UHFFFAOYSA-N -2 0 364.383 0.503 20 0 FCADRL NC(=O)c1ccccc1CS(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCC1 ZINC000863962662 672169260 /nfs/dbraw/zinc/16/92/60/672169260.db2.gz SRJVXLRPHZOUEC-UHFFFAOYSA-N -2 0 354.384 0.377 20 0 FCADRL COC(=O)Cc1cc(OC)ccc1S(=O)(=O)[N-]C(=O)CCC(=O)[O-] ZINC000863963106 672169832 /nfs/dbraw/zinc/16/98/32/672169832.db2.gz JZUUGQWSLYKQPW-UHFFFAOYSA-N -2 0 359.356 0.080 20 0 FCADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000863963591 672169933 /nfs/dbraw/zinc/16/99/33/672169933.db2.gz BKMGVLUHYGTIRV-ONGXEEELSA-N -2 0 359.404 0.396 20 0 FCADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cn1 ZINC000863963624 672169955 /nfs/dbraw/zinc/16/99/55/672169955.db2.gz CCNGRBBXEXXRKM-SNVBAGLBSA-N -2 0 366.355 0.056 20 0 FCADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)cn1 ZINC000863963623 672169966 /nfs/dbraw/zinc/16/99/66/672169966.db2.gz CCNGRBBXEXXRKM-JTQLQIEISA-N -2 0 366.355 0.056 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000013358593 675367939 /nfs/dbraw/zinc/36/79/39/675367939.db2.gz GDUVDPRDBFOTLR-VIFPVBQESA-N -2 0 363.413 0.878 20 0 FCADRL Cc1cc(=O)oc2cc(O)cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c12 ZINC001226487022 1225845569 /nfs/dbraw/zinc/84/55/69/1225845569.db2.gz UDIFLOJKWFCYBG-RTHLEPHNSA-N -2 0 366.278 0.249 20 0 FCADRL CCOC(=O)CCc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001228411748 1225921034 /nfs/dbraw/zinc/92/10/34/1225921034.db2.gz MGXIUPNONSNZBY-SWLSCSKDSA-N -2 0 368.338 0.624 20 0 FCADRL COc1cccc2c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(C)nc12 ZINC001228499743 1225927962 /nfs/dbraw/zinc/92/79/62/1225927962.db2.gz BIXZWIGJZNJYRE-BMIGLBTASA-N -2 0 363.322 0.994 20 0 FCADRL CCOC(=O)CCc1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001229519564 1226016110 /nfs/dbraw/zinc/01/61/10/1226016110.db2.gz GMMGPYQTMVPDFO-SWLSCSKDSA-N -2 0 368.338 0.624 20 0 FCADRL CC(C)(C)OC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc1 ZINC001229888746 1226038448 /nfs/dbraw/zinc/03/84/48/1226038448.db2.gz VYZJISBFNVPNOU-BXKDBHETSA-N -2 0 369.326 0.479 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cccnc1-c1ncccc1O)[C@@H](O)C(=O)[O-] ZINC001231204950 1226101897 /nfs/dbraw/zinc/10/18/97/1226101897.db2.gz VKMAXJUOHVSULX-XLKFXECMSA-N -2 0 362.294 0.291 20 0 FCADRL C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1n[n-]c2ccccc2c1=O ZINC001080542453 1255924086 /nfs/dbraw/zinc/92/40/86/1255924086.db2.gz BRLNIOIJYLDYRK-BXKDBHETSA-N -2 0 369.385 0.409 20 0 FCADRL COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1sccc1[N-]S(C)(=O)=O ZINC001196738983 1259411854 /nfs/dbraw/zinc/41/18/54/1259411854.db2.gz HLLJDPQJWZUGPH-QMMMGPOBSA-N -2 0 364.401 0.256 20 0 FCADRL Cc1cc(=O)c2c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc([O-])cc2o1 ZINC001234821505 1259564785 /nfs/dbraw/zinc/56/47/85/1259564785.db2.gz TUTWXFQFAFWLEV-XLKFXECMSA-N -3 0 366.278 0.249 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)[N-]N2CCCC2=O)cn1 ZINC001337473558 1260409789 /nfs/dbraw/zinc/40/97/89/1260409789.db2.gz WACUJTAVFJIUOF-UHFFFAOYSA-N -2 0 369.428 0.550 20 0 FCADRL COCCn1cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)ccc1=O ZINC001333397192 1266591753 /nfs/dbraw/zinc/59/17/53/1266591753.db2.gz DDPARCJCAFCUIX-UHFFFAOYSA-N -2 0 371.353 0.805 20 0 FCADRL CC(C)OC(=O)[C@H](C)N(C)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001574297326 1271173564 /nfs/dbraw/zinc/17/35/64/1271173564.db2.gz UBCOTLOXOINJLY-VIFPVBQESA-N -2 0 360.378 0.387 20 0 FCADRL CC(C)OC[C@H]1CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCO1 ZINC001574318634 1271197286 /nfs/dbraw/zinc/19/72/86/1271197286.db2.gz PHTCZHISMFEVHK-GFCCVEGCSA-N -2 0 374.405 0.241 20 0 FCADRL C[C@@H]1CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C2(CCC2)CO1 ZINC001576361041 1273183445 /nfs/dbraw/zinc/18/34/45/1273183445.db2.gz QGRZZBMAGGNZCL-SNVBAGLBSA-N -2 0 356.390 0.758 20 0 FCADRL COC(=O)C1(NCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCCC1 ZINC001579439646 1277317313 /nfs/dbraw/zinc/31/73/13/1277317313.db2.gz XRJSBTMDCCEICL-UHFFFAOYSA-N -2 0 358.362 0.190 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cncc(N2CCOCC2)c1 ZINC001603188653 1287325284 /nfs/dbraw/zinc/32/52/84/1287325284.db2.gz PCEXYTKLEIYSJM-GHMZBOCLSA-N -2 0 371.415 0.087 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CSC[C@@H]1CCCCO1 ZINC001603188190 1287325308 /nfs/dbraw/zinc/32/53/08/1287325308.db2.gz MTDUKIZORCRGTI-DCAQKATOSA-N -2 0 353.462 0.844 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CNC(=O)Cc1cccc(F)c1 ZINC001603187868 1287325019 /nfs/dbraw/zinc/32/50/19/1287325019.db2.gz KANUFTCFHAALRN-NXEZZACHSA-N -2 0 374.390 0.040 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)cs1 ZINC001603188626 1287325411 /nfs/dbraw/zinc/32/54/11/1287325411.db2.gz ORRXISLMAGOGIS-BQBZGAKWSA-N -2 0 369.442 0.320 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(CN2CCCCC2=O)cc1 ZINC001603205498 1287330811 /nfs/dbraw/zinc/33/08/11/1287330811.db2.gz WAAOZSHMLCAZOI-NSHDSACASA-N -2 0 368.411 0.732 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001603386529 1287364767 /nfs/dbraw/zinc/36/47/67/1287364767.db2.gz OICPNJACCGEANS-JTQLQIEISA-N -2 0 372.307 0.980 20 0 FCADRL CC(C)(C)OC(=O)N[C@H](CC(=O)[N-]S(=O)(=O)CC(=O)[O-])C1CC1 ZINC001603437815 1287371620 /nfs/dbraw/zinc/37/16/20/1287371620.db2.gz LMQDTSMTQGZLCD-SECBINFHSA-N -2 0 350.393 0.210 20 0 FCADRL CC(C)C[C@@H](CNC(=O)C(=O)N1CCSC[C@@H](C(=O)[O-])C1)C(=O)[O-] ZINC001603770686 1287491584 /nfs/dbraw/zinc/49/15/84/1287491584.db2.gz ZRVMLWRGFZSOKM-QWRGUYRKSA-N -2 0 360.432 0.126 20 0 FCADRL CC(C)C[C@H](CNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)CC(=O)[O-] ZINC001603839029 1287513683 /nfs/dbraw/zinc/51/36/83/1287513683.db2.gz WYWQAYGSAQIGJQ-JTQLQIEISA-N -2 0 353.375 0.915 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)N[C@H](Cc2cncs2)C(=O)[O-])cc1=O ZINC001603854198 1287522049 /nfs/dbraw/zinc/52/20/49/1287522049.db2.gz XCJIEXRISSJNBF-GFCCVEGCSA-N -2 0 352.416 0.644 20 0 FCADRL O=c1cc(Cn2c(=O)[nH]cc(-c3nnn[n-]3)c2=O)nc(-c2ccccc2)[nH]1 ZINC001582806100 1282030131 /nfs/dbraw/zinc/03/01/31/1282030131.db2.gz FLEVXIGQONFZTG-UHFFFAOYSA-N -2 0 364.325 0.340 20 0 FCADRL CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001604095997 1287570134 /nfs/dbraw/zinc/57/01/34/1287570134.db2.gz FMHPIUKUUPNDQV-JGVFFNPUSA-N -2 0 357.417 0.802 20 0 FCADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC001637943643 1282643787 /nfs/dbraw/zinc/64/37/87/1282643787.db2.gz HFRSJQJBTZMAEG-UHFFFAOYSA-N -2 0 373.226 0.812 20 0 FCADRL C[C@@H](CS(=O)(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C)C(=O)[O-] ZINC001604205899 1287589994 /nfs/dbraw/zinc/58/99/94/1287589994.db2.gz AIHBCIUOKLTFRO-DJLDLDEBSA-N -2 0 360.354 0.568 20 0 FCADRL C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001604255456 1287594377 /nfs/dbraw/zinc/59/43/77/1287594377.db2.gz GGVKWFWESWXPTG-UHFZAUJKSA-N -2 0 354.403 0.560 20 0 FCADRL C[C@@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001604257137 1287595158 /nfs/dbraw/zinc/59/51/58/1287595158.db2.gz VGZCVZGEOZMOTC-SPGKTFTMSA-N -2 0 354.403 0.561 20 0 FCADRL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001589058818 1282786043 /nfs/dbraw/zinc/78/60/43/1282786043.db2.gz ABTLYAODFHXOQY-UHFFFAOYSA-N -2 0 373.778 0.436 20 0 FCADRL C[C@H](CC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)CC1)C(=O)[O-] ZINC001589803167 1283017524 /nfs/dbraw/zinc/01/75/24/1283017524.db2.gz OBBFQCXKOBHRKF-SECBINFHSA-N -2 0 369.403 0.971 20 0 FCADRL C[C@H]1C[C@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCO1 ZINC001590184314 1283293095 /nfs/dbraw/zinc/29/30/95/1283293095.db2.gz GCXXXWDYFVMREB-DTWKUNHWSA-N -2 0 359.346 0.473 20 0 FCADRL C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001590334198 1283477901 /nfs/dbraw/zinc/47/79/01/1283477901.db2.gz AGEDDQPGKJCGTO-WDSKDSINSA-N -2 0 361.430 0.465 20 0 FCADRL CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001604672049 1287721670 /nfs/dbraw/zinc/72/16/70/1287721670.db2.gz WGINSKGAYJSGLD-UHFFFAOYSA-N -2 0 362.371 0.962 20 0 FCADRL COc1cccc(OC)c1S(=O)(=O)[N-]c1c(-c2nn[nH]n2)cnn1C ZINC001591644973 1284779556 /nfs/dbraw/zinc/77/95/56/1284779556.db2.gz PXFXWQMJARZDMN-UHFFFAOYSA-N -2 0 365.375 0.418 20 0 FCADRL C[C@@H]1CC[C@](CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)(CC(=O)[O-])C1 ZINC001604699685 1287738874 /nfs/dbraw/zinc/73/88/74/1287738874.db2.gz CARMJWHRPNVZEX-IAQYHMDHSA-N -2 0 362.448 0.899 20 0 FCADRL CN(CC(C)(C)C(=O)[O-])S(=O)(=O)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC001604712788 1287748375 /nfs/dbraw/zinc/74/83/75/1287748375.db2.gz MAMFCDWZCHNIQI-UHFFFAOYSA-N -2 0 371.394 0.878 20 0 FCADRL Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1[C@@H](C)SC[C@@H]1C(=O)[O-] ZINC001591870811 1284956342 /nfs/dbraw/zinc/95/63/42/1284956342.db2.gz SYPCQCMOXXXICO-PSASIEDQSA-N -2 0 369.428 0.712 20 0 FCADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001592430463 1285361299 /nfs/dbraw/zinc/36/12/99/1285361299.db2.gz HQGIBWNIBZUMDF-UHFFFAOYSA-N -2 0 363.407 0.618 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)Cc2ccccc2C(=O)[O-])[C@H](C(=O)[O-])[C@H](C)O1 ZINC001604802568 1287786317 /nfs/dbraw/zinc/78/63/17/1287786317.db2.gz HJCVPBMMSHCJAQ-NRUUGDAUSA-N -2 0 357.384 0.777 20 0 FCADRL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001593222861 1286045573 /nfs/dbraw/zinc/04/55/73/1286045573.db2.gz DYEAOHBKACEIKI-UHFFFAOYSA-N -2 0 365.313 0.506 20 0 FCADRL O=C([O-])[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)c1ccccc1F ZINC001593275013 1286057932 /nfs/dbraw/zinc/05/79/32/1286057932.db2.gz CFEUBTNDJGEURR-NSHDSACASA-N -2 0 367.318 0.703 20 0 FCADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)ccc1F ZINC001593279166 1286061667 /nfs/dbraw/zinc/06/16/67/1286061667.db2.gz UWGFZAXPRUVYKD-UHFFFAOYSA-N -2 0 364.318 0.900 20 0 FCADRL O=C([O-])COC1CCN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)CC1 ZINC001593278501 1286062082 /nfs/dbraw/zinc/06/20/82/1286062082.db2.gz IVAWFBPPIRQAQS-UHFFFAOYSA-N -2 0 373.416 0.183 20 0 FCADRL O=c1cc(CN2CCc3ccc(O)cc3C2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001593539825 1286200054 /nfs/dbraw/zinc/20/00/54/1286200054.db2.gz HQJGNAKLFTWDLU-UHFFFAOYSA-N -2 0 364.369 0.879 20 0 FCADRL Cc1c(CCC(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1C ZINC001600012093 1286424353 /nfs/dbraw/zinc/42/43/53/1286424353.db2.gz WIXDUSZLMREZCP-UHFFFAOYSA-N -2 0 351.384 0.864 20 0 FCADRL Cc1c(CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])nnn1-c1ccccc1 ZINC001600012000 1286424618 /nfs/dbraw/zinc/42/46/18/1286424618.db2.gz WZLDVVXPECXEFL-JTQLQIEISA-N -2 0 352.372 0.037 20 0 FCADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC001600021757 1286425327 /nfs/dbraw/zinc/42/53/27/1286425327.db2.gz YJLFJTIPRVSOHT-PELKAZGASA-N -2 0 361.347 0.695 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])n(C2CCOCC2)n1 ZINC001600096364 1286440632 /nfs/dbraw/zinc/44/06/32/1286440632.db2.gz JVLXMGZRJDVCRV-WDEREUQCSA-N -2 0 373.431 0.712 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])n(C2CCOCC2)n1 ZINC001600096363 1286440663 /nfs/dbraw/zinc/44/06/63/1286440663.db2.gz JVLXMGZRJDVCRV-QWRGUYRKSA-N -2 0 373.431 0.712 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c(C)n1-c1ccn(C)n1 ZINC001600096326 1286440776 /nfs/dbraw/zinc/44/07/76/1286440776.db2.gz IJQWNPJIRMTDMA-JTQLQIEISA-N -2 0 354.388 0.360 20 0 FCADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC001600123756 1286444806 /nfs/dbraw/zinc/44/48/06/1286444806.db2.gz RKHXAPMGDLKSDF-AAEUAGOBSA-N -2 0 357.384 0.539 20 0 FCADRL Cc1cc(F)c(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)cc1F ZINC001600229541 1286455830 /nfs/dbraw/zinc/45/58/30/1286455830.db2.gz XNYGYQSVXSVROI-NYRNMGCKSA-N -2 0 363.338 0.956 20 0 FCADRL Cc1cc(OCC(=O)[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)no1 ZINC001600288566 1286468661 /nfs/dbraw/zinc/46/86/61/1286468661.db2.gz UTRCIVKQJCKUAJ-UHFFFAOYSA-N -2 0 372.330 0.633 20 0 FCADRL Cc1cc(S(=O)(=O)N2CCC(OCC(=O)[O-])CC2)ccc1C(=O)[O-] ZINC001600295143 1286470150 /nfs/dbraw/zinc/47/01/50/1286470150.db2.gz UVZFAZVXDLVKEG-UHFFFAOYSA-N -2 0 357.384 0.948 20 0 FCADRL Cc1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@]3(CCOC3)C2)oc1C(=O)[O-] ZINC001600293816 1286470214 /nfs/dbraw/zinc/47/02/14/1286470214.db2.gz VBFWLVYZNHWWOF-XPTSAGLGSA-N -2 0 359.356 0.398 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)Cc2cnn(C)c2)oc1C(=O)[O-] ZINC001600295967 1286471282 /nfs/dbraw/zinc/47/12/82/1286471282.db2.gz BKFGRPNGSIPMGS-VIFPVBQESA-N -2 0 355.372 0.703 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3cnn(C)c3C2)oc1C(=O)[O-] ZINC001600296362 1286471908 /nfs/dbraw/zinc/47/19/08/1286471908.db2.gz CEZZHTOZCXVLCN-SECBINFHSA-N -2 0 367.383 0.630 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)CNC(=O)CCC(C)C)oc1C(=O)[O-] ZINC001600297780 1286471942 /nfs/dbraw/zinc/47/19/42/1286471942.db2.gz VDYVWUYHJCLXGA-UHFFFAOYSA-N -2 0 360.388 0.644 20 0 FCADRL Cc1ccc(NC(=C(F)C(=O)[O-])c2c([O-])[nH]c(=S)[nH]c2=O)c(C)c1 ZINC001600437997 1286485768 /nfs/dbraw/zinc/48/57/68/1286485768.db2.gz DKYANXGRQGRBIC-SNVBAGLBSA-N -2 0 351.359 0.923 20 0 FCADRL Cc1ccc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c(C(=O)[O-])c1 ZINC001600439487 1286486988 /nfs/dbraw/zinc/48/69/88/1286486988.db2.gz FKHPPOFCCYDNHJ-BMLIUANNSA-N -2 0 362.338 0.191 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC3(CCOCC3)[C@H]2C(=O)[O-])cc1C(=O)[O-] ZINC001600475737 1286492831 /nfs/dbraw/zinc/49/28/31/1286492831.db2.gz GMXFWCAIAXVHDZ-CYBMUJFWSA-N -2 0 369.395 0.948 20 0 FCADRL Cc1cccc(S(=O)(=O)N2CC(C)(C)OC[C@H]2C(=O)[O-])c1C(=O)[O-] ZINC001600547127 1286505441 /nfs/dbraw/zinc/50/54/41/1286505441.db2.gz JMTBACRNWARERK-JTQLQIEISA-N -2 0 357.384 0.946 20 0 FCADRL Cc1cccnc1NC(=O)CCNS(=O)(=O)c1occc1C(=O)[O-] ZINC001600593260 1286510655 /nfs/dbraw/zinc/51/06/55/1286510655.db2.gz JFKUJCJKMSLNHL-UHFFFAOYSA-N -2 0 353.356 0.988 20 0 FCADRL Cc1cnn(C[C@@H](NS(=O)(=O)Cc2ccccc2C(=O)[O-])C(=O)[O-])c1 ZINC001600637203 1286518394 /nfs/dbraw/zinc/51/83/94/1286518394.db2.gz YWIJUGSDFBVROG-CYBMUJFWSA-N -2 0 367.383 0.463 20 0 FCADRL Cc1nc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])nn1-c1ccccc1 ZINC001600685098 1286527267 /nfs/dbraw/zinc/52/72/67/1286527267.db2.gz RSISWYOJIVIUQF-UHFFFAOYSA-N -2 0 366.399 0.746 20 0 FCADRL Cc1nc(CNS(=O)(=O)c2cc(C(=O)[O-])cs2)sc1C(N)=O ZINC001600701736 1286529535 /nfs/dbraw/zinc/52/95/35/1286529535.db2.gz LTOKDUIAVYNELC-UHFFFAOYSA-N -2 0 361.426 0.789 20 0 FCADRL Cc1ncc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)cc1C(=O)[O-] ZINC001600747805 1286537756 /nfs/dbraw/zinc/53/77/56/1286537756.db2.gz UGGHUWZTQLHMTN-UHFFFAOYSA-N -2 0 360.355 0.865 20 0 FCADRL Cc1nn(C)c(C)c1[C@H](NS(=O)(=O)c1ccsc1C(=O)[O-])C(=O)[O-] ZINC001600769391 1286541084 /nfs/dbraw/zinc/54/10/84/1286541084.db2.gz YJHVVHHISLPOEI-JTQLQIEISA-N -2 0 373.412 0.901 20 0 FCADRL Cc1nn(CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1-c1ccccc1 ZINC001600781182 1286543652 /nfs/dbraw/zinc/54/36/52/1286543652.db2.gz XJMFSMNLKSSFAF-LLVKDONJSA-N -2 0 351.384 0.778 20 0 FCADRL Cc1oc(CN(C)C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1C(=O)[O-] ZINC001600841446 1286554600 /nfs/dbraw/zinc/55/46/00/1286554600.db2.gz YMYWCTDVXZMKSH-LLVKDONJSA-N -2 0 366.370 0.958 20 0 FCADRL Cn1c2ccc([N-]S(=O)(=O)c3cncc(C(=O)[O-])c3)cc2n(C)c1=O ZINC001600895178 1286564374 /nfs/dbraw/zinc/56/43/74/1286564374.db2.gz WQEJRMMOOIKDOV-UHFFFAOYSA-N -2 0 362.367 0.771 20 0 FCADRL Cn1cc([C@H](NS(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])C(=O)[O-])cn1 ZINC001600940420 1286575136 /nfs/dbraw/zinc/57/51/36/1286575136.db2.gz LLZDLDQQWGSCQT-NSHDSACASA-N -2 0 373.774 0.876 20 0 FCADRL Cn1cc([C@@H](NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)C(=O)[O-])cn1 ZINC001600939912 1286575150 /nfs/dbraw/zinc/57/51/50/1286575150.db2.gz KOJLGUARDXTDNB-GFCCVEGCSA-N -2 0 353.356 0.364 20 0 FCADRL Cn1cc([C@@H]([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)C(F)(F)F)cn1 ZINC001600939320 1286575281 /nfs/dbraw/zinc/57/52/81/1286575281.db2.gz HGINKYZEBDVCLA-SNVBAGLBSA-N -2 0 367.309 0.283 20 0 FCADRL Cn1cc(S(=O)(=O)N(CC(=O)[O-])Cc2ccccc2)cc1C(=O)[O-] ZINC001600967097 1286583334 /nfs/dbraw/zinc/58/33/34/1286583334.db2.gz DBAMHXKJMWPFDK-UHFFFAOYSA-N -2 0 352.368 0.999 20 0 FCADRL Cn1cnc(S(=O)(=O)[N-]C(=O)c2cccc(OCC(=O)[O-])c2)c1Cl ZINC001600990924 1286591532 /nfs/dbraw/zinc/59/15/32/1286591532.db2.gz JLGKVSXKTGJVPV-UHFFFAOYSA-N -2 0 373.774 0.656 20 0 FCADRL Cn1[n-]c(C(F)(F)F)nc1=NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001601007826 1286596285 /nfs/dbraw/zinc/59/62/85/1286596285.db2.gz GYSSHRASDNYHSX-UHFFFAOYSA-N -2 0 368.268 0.894 20 0 FCADRL NC(=O)CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001601150765 1286657284 /nfs/dbraw/zinc/65/72/84/1286657284.db2.gz OFAKUSRXVYEVQO-UHFFFAOYSA-N -2 0 365.367 0.835 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC001601199866 1286695731 /nfs/dbraw/zinc/69/57/31/1286695731.db2.gz LRCBAPCHRQFDGW-CYBMUJFWSA-N -2 0 364.379 0.638 20 0 FCADRL Nc1cn[n-]c(=NNS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1Cl ZINC001601219074 1286701151 /nfs/dbraw/zinc/70/11/51/1286701151.db2.gz UYNSFADWFWFHLT-UHFFFAOYSA-N -2 0 361.742 0.855 20 0 FCADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC001601282978 1286712077 /nfs/dbraw/zinc/71/20/77/1286712077.db2.gz DREWKWIDUDVUAD-UHFFFAOYSA-N -2 0 351.327 0.759 20 0 FCADRL O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC001601299080 1286714548 /nfs/dbraw/zinc/71/45/48/1286714548.db2.gz UZHUOSVHSYZEGX-WCQYABFASA-N -2 0 363.395 0.434 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)CN2CCCCC2=O)c1 ZINC001601314463 1286723297 /nfs/dbraw/zinc/72/32/97/1286723297.db2.gz MQLJIGCFXJIDMD-UHFFFAOYSA-N -2 0 354.384 0.343 20 0 FCADRL O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001601327592 1286729465 /nfs/dbraw/zinc/72/94/65/1286729465.db2.gz QIUQWQNBMVRCJC-KCJUWKMLSA-N -2 0 362.354 0.613 20 0 FCADRL O=C([O-])c1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c(OC(F)F)c1 ZINC001601597676 1286791211 /nfs/dbraw/zinc/79/12/11/1286791211.db2.gz NDFYUCAZYARLGL-QMMMGPOBSA-N -2 0 372.280 0.858 20 0 FCADRL O=C([O-])[C@]1(C[N-]S(=O)(=O)c2occc2Br)CCOC1 ZINC001601711574 1286812055 /nfs/dbraw/zinc/81/20/55/1286812055.db2.gz XQEMECGPGRXSIW-JTQLQIEISA-N -2 0 354.178 0.812 20 0 FCADRL O=C([O-])C1=NOC2(C1)CCN(S(=O)(=O)CC1(C(=O)[O-])CCCC1)CC2 ZINC001601745006 1286820520 /nfs/dbraw/zinc/82/05/20/1286820520.db2.gz UXVPVKMIHNXWFL-UHFFFAOYSA-N -2 0 374.415 0.657 20 0 FCADRL O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001601805927 1286838745 /nfs/dbraw/zinc/83/87/45/1286838745.db2.gz ABRCQJRZWOFCRV-GMTAPVOTSA-N -2 0 358.420 0.663 20 0 FCADRL O=C([O-])[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H]2CCCC[C@@H]12 ZINC001601822326 1286842921 /nfs/dbraw/zinc/84/29/21/1286842921.db2.gz AHJHPFYVYCOIFH-TUAOUCFPSA-N -2 0 352.391 0.961 20 0 FCADRL O=C([O-])/C=C/c1ccc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)cc1 ZINC001601882852 1286861546 /nfs/dbraw/zinc/86/15/46/1286861546.db2.gz IRCFKZFJHXVABI-ZZXKWVIFSA-N -2 0 355.368 0.697 20 0 FCADRL O=C([O-])C=Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1 ZINC001601883709 1286861567 /nfs/dbraw/zinc/86/15/67/1286861567.db2.gz ONWFRABMPDUIHA-RJNRQISESA-N -2 0 365.367 0.482 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])C1CCOCC1 ZINC001601906578 1286866002 /nfs/dbraw/zinc/86/60/02/1286866002.db2.gz LVHPCDCVSMFQPF-AVGNSLFASA-N -2 0 363.432 0.819 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1scnc1C(=O)[O-])c1ccccn1 ZINC001601908583 1286866116 /nfs/dbraw/zinc/86/61/16/1286866116.db2.gz HOBXEHYYGQVABA-MRVPVSSYSA-N -2 0 357.369 0.731 20 0 FCADRL O=C([O-])C[C@H](O)CNC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC001601913069 1286869664 /nfs/dbraw/zinc/86/96/64/1286869664.db2.gz UDAHUPLPGBCBDN-ZETCQYMHSA-N -2 0 370.305 0.514 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)NC[C@@H](Cc2cccnc2)C(=O)[O-])CC1 ZINC001601921972 1286872448 /nfs/dbraw/zinc/87/24/48/1286872448.db2.gz OBKTXGFGOBZMHL-GFCCVEGCSA-N -2 0 356.400 0.499 20 0 FCADRL O=C([O-])CCN(Cc1ccncc1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001602008558 1286895679 /nfs/dbraw/zinc/89/56/79/1286895679.db2.gz XYTDVFMAECIGSE-UHFFFAOYSA-N -2 0 368.371 0.028 20 0 FCADRL O=C([O-])CCNC(=O)COC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001602021801 1286905629 /nfs/dbraw/zinc/90/56/29/1286905629.db2.gz PHQLNVOOLXYFFL-UHFFFAOYSA-N -2 0 351.290 0.465 20 0 FCADRL O=C([O-])CSCC(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001602097049 1286934398 /nfs/dbraw/zinc/93/43/98/1286934398.db2.gz GKVUNXGXMWQAQG-UHFFFAOYSA-N -3 0 365.360 0.076 20 0 FCADRL O=C([O-])Cc1csc(NC(=O)CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)n1 ZINC001602151434 1286950216 /nfs/dbraw/zinc/95/02/16/1286950216.db2.gz VMZBFRYEYDXCRD-MRVPVSSYSA-N -2 0 367.387 0.677 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccn(C3CCOCC3)n2)cn1 ZINC001602164784 1286953713 /nfs/dbraw/zinc/95/37/13/1286953713.db2.gz DLXUIMWQFCLWPX-UHFFFAOYSA-N -2 0 355.376 0.317 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCNC3=O)cn1 ZINC001602164912 1286955715 /nfs/dbraw/zinc/95/57/15/1286955715.db2.gz PJXHIIJRWDBQBG-UHFFFAOYSA-N -2 0 350.356 0.054 20 0 FCADRL O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC001602192719 1286962868 /nfs/dbraw/zinc/96/28/68/1286962868.db2.gz KOMUWHAIBRDAEK-SFYZADRCSA-N -2 0 355.290 0.620 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C[C@@H]1C(F)(F)F ZINC001602213931 1286969259 /nfs/dbraw/zinc/96/92/59/1286969259.db2.gz BGZSWJRKOOQSCH-YUMQZZPRSA-N -2 0 359.322 0.766 20 0 FCADRL O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001602219496 1286970396 /nfs/dbraw/zinc/97/03/96/1286970396.db2.gz KTXZMVZBTBQQPB-GHMZBOCLSA-N -2 0 351.746 0.891 20 0 FCADRL O=C([O-])c1cc(C(=O)[N-]S(=O)(=O)Cc2cccc3c2OCCO3)on1 ZINC001602246779 1286975008 /nfs/dbraw/zinc/97/50/08/1286975008.db2.gz BSTKPLRGKKDGID-UHFFFAOYSA-N -2 0 368.323 0.404 20 0 FCADRL O=C([O-])c1cc(C2CN(C(=O)c3nc[n-]c(=O)c3Br)C2)[nH]n1 ZINC001602254093 1286976158 /nfs/dbraw/zinc/97/61/58/1286976158.db2.gz MSRSOPZJDFIOAT-UHFFFAOYSA-N -2 0 368.147 0.606 20 0 FCADRL O=C([O-])c1cc(F)cc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)[O-])c1 ZINC001602273206 1286979705 /nfs/dbraw/zinc/97/97/05/1286979705.db2.gz QFVCYAKFMDIEAM-PELKAZGASA-N -2 0 361.347 0.682 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CC3(CCOCC3)[C@@H]2C(=O)[O-])cs1 ZINC001602288695 1286981127 /nfs/dbraw/zinc/98/11/27/1286981127.db2.gz IHQPYDGRAJCTOG-JTQLQIEISA-N -2 0 361.397 0.701 20 0 FCADRL O=C([O-])c1cc(F)ccc1S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001602276048 1286981417 /nfs/dbraw/zinc/98/14/17/1286981417.db2.gz PLGYRLFTMDDJBZ-JTQLQIEISA-N -2 0 357.319 0.221 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c(F)cc1Cl ZINC001602290740 1286981864 /nfs/dbraw/zinc/98/18/64/1286981864.db2.gz JPSFHQPTWWWZIT-SECBINFHSA-N -2 0 367.738 0.651 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)cc(F)c1F ZINC001602294091 1286985431 /nfs/dbraw/zinc/98/54/31/1286985431.db2.gz UTXCATDZJQPUTG-LBPRGKRZSA-N -2 0 351.283 0.185 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1 ZINC001602392805 1286993978 /nfs/dbraw/zinc/99/39/78/1286993978.db2.gz GAEACPPMKPHEEF-MNOVXSKESA-N -3 0 357.340 0.181 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccccc2)cc1 ZINC001602396268 1286995407 /nfs/dbraw/zinc/99/54/07/1286995407.db2.gz RDXKIYWALMUIQO-KGLIPLIRSA-N -2 0 365.363 0.850 20 0 FCADRL O=C([O-])c1cccc(CC(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c1 ZINC001602434420 1287001459 /nfs/dbraw/zinc/00/14/59/1287001459.db2.gz NLQPXTQECVJMIG-AWEZNQCLSA-N -2 0 374.393 0.851 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@]3(CCOC3)C2)c1 ZINC001602439774 1287002686 /nfs/dbraw/zinc/00/26/86/1287002686.db2.gz JEGJDPTYDAKNLL-BBRMVZONSA-N -2 0 369.395 0.638 20 0 FCADRL O=C([O-])c1cccc2c1cccc2S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001602455111 1287003913 /nfs/dbraw/zinc/00/39/13/1287003913.db2.gz NLPUYHYADXESDU-RNCFNFMXSA-N -2 0 365.363 0.747 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]N1C(=O)NC2(CCCCC2)C1=O ZINC001602584167 1287030844 /nfs/dbraw/zinc/03/08/44/1287030844.db2.gz BZXRSNLYUJGVJQ-UHFFFAOYSA-N -2 0 374.400 0.289 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001602599451 1287034326 /nfs/dbraw/zinc/03/43/26/1287034326.db2.gz XNJAPLLSDQHKJI-VIFPVBQESA-N -2 0 372.424 0.652 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)cc1Cl ZINC001602632422 1287040579 /nfs/dbraw/zinc/04/05/79/1287040579.db2.gz TVUSBVYKJAQLPC-ZETCQYMHSA-N -2 0 360.775 0.369 20 0 FCADRL CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001603047563 1287197276 /nfs/dbraw/zinc/19/72/76/1287197276.db2.gz FBWHSTNEBFKWLA-JTQLQIEISA-N -2 0 372.399 0.293 20 0 FCADRL CSC1(C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCC1 ZINC001605370423 1287944698 /nfs/dbraw/zinc/94/46/98/1287944698.db2.gz XTHLRWHWNXQHRB-UHFFFAOYSA-N -2 0 361.387 0.944 20 0 FCADRL CCOC(=O)N1CCC(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])CC1 ZINC001605547686 1287995396 /nfs/dbraw/zinc/99/53/96/1287995396.db2.gz ZQAHVNUHZRMMLN-UHFFFAOYSA-N -2 0 364.420 0.412 20 0 FCADRL CCOC(=O)c1cnc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)n1C ZINC001605577784 1288017489 /nfs/dbraw/zinc/01/74/89/1288017489.db2.gz FZGOJRGCKPCMLQ-UHFFFAOYSA-N -2 0 354.344 0.491 20 0 FCADRL CCc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c(C(=O)[O-])c1 ZINC001605818115 1288094799 /nfs/dbraw/zinc/09/47/99/1288094799.db2.gz QBWQXTSACGIOJA-LBPRGKRZSA-N -2 0 350.327 0.198 20 0 FCADRL CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC001606003666 1288126686 /nfs/dbraw/zinc/12/66/86/1288126686.db2.gz AYWVAOWZCRAUBD-UHFFFAOYSA-N -2 0 371.350 0.004 20 0 FCADRL CN(C)Cc1ccccc1S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-] ZINC001606036679 1288141160 /nfs/dbraw/zinc/14/11/60/1288141160.db2.gz UCQRZWATNVLKAI-UHFFFAOYSA-N -2 0 360.457 0.761 20 0 FCADRL Cc1nn(C)c2ncc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)o3)cc12 ZINC001606113693 1288170227 /nfs/dbraw/zinc/17/02/27/1288170227.db2.gz VIRGUNGWMSWXRD-UHFFFAOYSA-N -2 0 360.359 0.851 20 0 FCADRL CNC(=O)c1n[nH]nc1NC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001606292902 1288256871 /nfs/dbraw/zinc/25/68/71/1288256871.db2.gz ZMMVNPGSIZHDBL-INIZCTEOSA-N -2 0 358.358 0.425 20 0 FCADRL COC(=O)[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001606401254 1288287537 /nfs/dbraw/zinc/28/75/37/1288287537.db2.gz UMMBIMSMIPZQEE-BDAKNGLRSA-N -2 0 359.356 0.762 20 0 FCADRL COC(=O)[C@H]1CCN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)[C@H](C(=O)[O-])C1 ZINC001606404670 1288290181 /nfs/dbraw/zinc/29/01/81/1288290181.db2.gz UMOUVFZHFUHMCH-AAEUAGOBSA-N -2 0 367.402 0.240 20 0 FCADRL COC(=O)CCCO[N-]C(=O)C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC001606453158 1288325066 /nfs/dbraw/zinc/32/50/66/1288325066.db2.gz OQUHBSHMVKNPFL-UHFFFAOYSA-N -2 0 358.734 0.978 20 0 FCADRL COC(=O)Cc1cccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001606480225 1288340229 /nfs/dbraw/zinc/34/02/29/1288340229.db2.gz VJGVLLCUNIILEN-ZJUUUORDSA-N -2 0 357.384 0.571 20 0 FCADRL COC(=O)c1ccc(CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC001606586795 1288397452 /nfs/dbraw/zinc/39/74/52/1288397452.db2.gz NMPQEGRANBHMBM-ZJUUUORDSA-N -2 0 357.384 0.571 20 0 FCADRL COC(=O)c1ccc(NC(=O)C(=O)[N-]OCC2CCC2)cc1C(=O)[O-] ZINC001606595614 1288401010 /nfs/dbraw/zinc/40/10/10/1288401010.db2.gz SPUDBRDZSNDPAD-UHFFFAOYSA-N -2 0 350.327 0.958 20 0 FCADRL COC(=O)c1cncc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001606627822 1288415157 /nfs/dbraw/zinc/41/51/57/1288415157.db2.gz DDHQWZVJVYXODX-UHFFFAOYSA-N -2 0 364.335 0.685 20 0 FCADRL CO[C@H](CC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-])C(F)(F)F ZINC001606668627 1288431366 /nfs/dbraw/zinc/43/13/66/1288431366.db2.gz BKJKDNCEKNIYIK-SCSAIBSYSA-N -2 0 362.307 0.614 20 0 FCADRL O=C([O-])[C@@H]1CCCCCN1S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001606960053 1288576555 /nfs/dbraw/zinc/57/65/55/1288576555.db2.gz FTDLOTQIXNNPTI-QMMMGPOBSA-N -2 0 357.417 0.946 20 0 FCADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC001606962410 1288578235 /nfs/dbraw/zinc/57/82/35/1288578235.db2.gz UUGJBVCERXDUTL-UHFFFAOYSA-N -2 0 364.318 0.900 20 0 FCADRL COCc1nocc1C(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001606982110 1288581314 /nfs/dbraw/zinc/58/13/14/1288581314.db2.gz PHCXPRUHSJERFD-UHFFFAOYSA-N -2 0 372.330 0.706 20 0 FCADRL O=C1COc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)o3)ccc2N1 ZINC001607047864 1288615565 /nfs/dbraw/zinc/61/55/65/1288615565.db2.gz ORWDTNSSCVHZFB-UHFFFAOYSA-N -2 0 362.327 0.591 20 0 FCADRL COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC001607121890 1288670211 /nfs/dbraw/zinc/67/02/11/1288670211.db2.gz DYVYHHHMRMHEAQ-JTQLQIEISA-N -2 0 352.343 0.805 20 0 FCADRL COc1cc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)[O-])ccc1C(=O)[O-] ZINC001607190632 1288682108 /nfs/dbraw/zinc/68/21/08/1288682108.db2.gz KTXUZFRCFMZHQR-BXKDBHETSA-N -2 0 373.383 0.552 20 0 FCADRL COc1ccc([C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C(=O)[O-])cc1Cl ZINC001607226540 1288687017 /nfs/dbraw/zinc/68/70/17/1288687017.db2.gz KFIWUGKPUROHQX-JTQLQIEISA-N -2 0 356.722 0.293 20 0 FCADRL COc1ccc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)c(C(=O)[O-])c1 ZINC001607270149 1288691262 /nfs/dbraw/zinc/69/12/62/1288691262.db2.gz IJCFNLUYNFLCQE-UHFFFAOYSA-N -2 0 350.327 0.655 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC3(CCC3)[C@H]2C(=O)[O-])c(CC(=O)[O-])c1 ZINC001607284490 1288693181 /nfs/dbraw/zinc/69/31/81/1288693181.db2.gz WBMAOTVSPKCYON-CQSZACIVSA-N -2 0 369.395 0.950 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cnc(N(C)C)nc2)c(CC(=O)[O-])c1 ZINC001607289841 1288695752 /nfs/dbraw/zinc/69/57/52/1288695752.db2.gz BBOJNXKJJHBTJW-UHFFFAOYSA-N -2 0 366.399 0.979 20 0 FCADRL COc1ccc2c(c1)C[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])CO2 ZINC001607293607 1288695908 /nfs/dbraw/zinc/69/59/08/1288695908.db2.gz MTDNSGAOTPHYJR-FOGDFJRCSA-N -2 0 371.411 0.802 20 0 FCADRL COc1cccc([C@H](C(=O)[O-])N(C)C(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1 ZINC001607308552 1288698366 /nfs/dbraw/zinc/69/83/66/1288698366.db2.gz VFSDDHNYIFMWBZ-CQSZACIVSA-N -2 0 371.353 0.364 20 0 FCADRL C[C@H]1OCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)[C@@H]1C(=O)[O-] ZINC001607482261 1288718481 /nfs/dbraw/zinc/71/84/81/1288718481.db2.gz IOMNGADBVYMCFA-HQJQHLMTSA-N -2 0 363.775 0.901 20 0 FCADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-] ZINC001607531623 1288724885 /nfs/dbraw/zinc/72/48/85/1288724885.db2.gz GCAREFZMESBJIL-MRVPVSSYSA-N -2 0 363.363 0.679 20 0 FCADRL Cc1cc(S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)ccc1OCC(=O)[O-] ZINC001607702993 1288735304 /nfs/dbraw/zinc/73/53/04/1288735304.db2.gz QOCOUKQJUDSNPS-YABSGUDNSA-N -2 0 355.368 0.410 20 0 FCADRL Cc1ccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)cc1-n1cnnn1 ZINC001607810851 1288740032 /nfs/dbraw/zinc/74/00/32/1288740032.db2.gz RZNWQRUYWDYYRO-UHFFFAOYSA-N -2 0 360.355 0.865 20 0 FCADRL Cc1cn(-c2c(F)cccc2F)nc1C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001607899862 1288743840 /nfs/dbraw/zinc/74/38/40/1288743840.db2.gz LVFJJAZONGIHIO-UHFFFAOYSA-N -2 0 373.337 0.993 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-][C@H]([C@H]2CCOC2)C(F)(F)F)c1C(=O)[O-] ZINC001607939643 1288749859 /nfs/dbraw/zinc/74/98/59/1288749859.db2.gz DRAIOJAPFYAKDU-POYBYMJQSA-N -2 0 357.310 0.662 20 0 FCADRL Cc1ncc(S(=O)(=O)[N-]c2cnccc2-n2ccnn2)cc1C(=O)[O-] ZINC001607984535 1288755236 /nfs/dbraw/zinc/75/52/36/1288755236.db2.gz JFXGJZHXFHENML-UHFFFAOYSA-N -2 0 360.355 0.865 20 0 FCADRL Cc1oc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc1S(C)(=O)=O ZINC001608032043 1288761496 /nfs/dbraw/zinc/76/14/96/1288761496.db2.gz FQYXZLVGJLSUHM-UHFFFAOYSA-N -2 0 367.401 0.162 20 0 FCADRL Cn1c2ccc(S(=O)(=O)[N-]c3cncc(C(=O)[O-])c3)cc2n(C)c1=O ZINC001608078156 1288766038 /nfs/dbraw/zinc/76/60/38/1288766038.db2.gz WKTMUDVDOJEVKX-UHFFFAOYSA-N -2 0 362.367 0.771 20 0 FCADRL Cn1cc(C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])s2)C(=O)[O-])cn1 ZINC001608110938 1288770534 /nfs/dbraw/zinc/77/05/34/1288770534.db2.gz OALFHODOQATMPL-MRVPVSSYSA-N -2 0 359.385 0.154 20 0 FCADRL Cn1cc(S(=O)(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1C(=O)[O-] ZINC001608120269 1288774054 /nfs/dbraw/zinc/77/40/54/1288774054.db2.gz GADBUNXKHQPMHL-LLVKDONJSA-N -2 0 370.305 0.751 20 0 FCADRL Cn1cc(S(=O)(=O)NC[C@H](Cc2ccccn2)C(=O)[O-])cc1C(=O)[O-] ZINC001608121496 1288774179 /nfs/dbraw/zinc/77/41/79/1288774179.db2.gz FROVSFDWTHHRHI-JTQLQIEISA-N -2 0 367.383 0.340 20 0 FCADRL Cn1ccnc1SCc1ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])o1 ZINC001608132349 1288776580 /nfs/dbraw/zinc/77/65/80/1288776580.db2.gz DQXAESHXFOQUAH-UHFFFAOYSA-N -2 0 359.385 0.450 20 0 FCADRL NC(=O)[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC001608233031 1288797138 /nfs/dbraw/zinc/79/71/38/1288797138.db2.gz SSPYEXVUTSWVOK-JGVFFNPUSA-N -2 0 360.413 0.543 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)CCOCC(F)(F)F ZINC001608311890 1288817672 /nfs/dbraw/zinc/81/76/72/1288817672.db2.gz UPHCVPVOIJSPSR-UHFFFAOYSA-N -2 0 362.307 0.615 20 0 FCADRL O=C([O-])c1c(Cl)cccc1S(=O)(=O)[N-]C(=O)CO[C@H]1CCOC1 ZINC001608348216 1288827708 /nfs/dbraw/zinc/82/77/08/1288827708.db2.gz YEDGZWFEUQQWCA-QMMMGPOBSA-N -2 0 363.775 0.649 20 0 FCADRL O=C([O-])[C@H](CNC(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)C1CCC1 ZINC001608420589 1288840257 /nfs/dbraw/zinc/84/02/57/1288840257.db2.gz SPBSQTVXOPQWPL-NEPJUHHUSA-N -2 0 352.387 0.317 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)c1cccc2c1OCCO2 ZINC001608484925 1288848958 /nfs/dbraw/zinc/84/89/58/1288848958.db2.gz NQNRVEALGTYMGJ-UHFFFAOYSA-N -2 0 370.364 0.731 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)c2scnc2Cl)CC1 ZINC001608484680 1288849218 /nfs/dbraw/zinc/84/92/18/1288849218.db2.gz GXBOEHMGRULEPN-UHFFFAOYSA-N -2 0 353.809 0.568 20 0 FCADRL O=C([O-])C1=NOC2(C1)CCN(S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-])CC2 ZINC001608592435 1288858720 /nfs/dbraw/zinc/85/87/20/1288858720.db2.gz GGBPVWYUJPAUAF-PWSUYJOCSA-N -2 0 374.415 0.655 20 0 FCADRL O=C([O-])[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCC2)c2ccccc2O1 ZINC001608645436 1288861108 /nfs/dbraw/zinc/86/11/08/1288861108.db2.gz TXNYRNTUDBPUCC-LBPRGKRZSA-N -2 0 355.368 0.923 20 0 FCADRL O=C([O-])CCN(Cc1cccnc1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001608722640 1288870899 /nfs/dbraw/zinc/87/08/99/1288870899.db2.gz VXHNNMWSUCUBDI-UHFFFAOYSA-N -2 0 371.415 0.400 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CCSC[C@H](C(=O)[O-])C2)cs1 ZINC001608858919 1288876066 /nfs/dbraw/zinc/87/60/66/1288876066.db2.gz PWHUEXYPZUTDFU-SSDOTTSWSA-N -2 0 351.427 0.885 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CC(=O)c3ccccc3O2)on1 ZINC001608860935 1288877235 /nfs/dbraw/zinc/87/72/35/1288877235.db2.gz HPPWZCLOUMBNTH-MRVPVSSYSA-N -2 0 352.324 0.685 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@]2(CO)C[C@H]2c2ccccc2)on1 ZINC001608861049 1288878037 /nfs/dbraw/zinc/87/80/37/1288878037.db2.gz MZQNZZFOYTXJHE-XHDPSFHLSA-N -2 0 352.368 0.817 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cn1 ZINC001608909693 1288878297 /nfs/dbraw/zinc/87/82/97/1288878297.db2.gz VHEPHVZSRYOIBB-MRVPVSSYSA-N -2 0 353.360 0.172 20 0 FCADRL O=C([O-])c1cn([C@@H]2CCN(C(=O)NC[C@@H](C(=O)[O-])C3CCC3)C2)nn1 ZINC001608959819 1288880591 /nfs/dbraw/zinc/88/05/91/1288880591.db2.gz LZVQWZMCKXFVEP-GHMZBOCLSA-N -2 0 351.363 0.434 20 0 FCADRL O=S(=O)([N-]c1ccn(Cc2ccccn2)n1)c1ccc(-c2nnn[n-]2)o1 ZINC001609596069 1289254461 /nfs/dbraw/zinc/25/44/61/1289254461.db2.gz FCXWYMOREJKJRL-UHFFFAOYSA-N -2 0 372.370 0.900 20 0 FCADRL CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)C(C)(C)C ZINC001609623153 1289266579 /nfs/dbraw/zinc/26/65/79/1289266579.db2.gz JPAASNKMGUENRM-LLVKDONJSA-N -2 0 360.388 0.642 20 0 FCADRL C[C@@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])n1ccc2ccccc2c1=O ZINC001609636501 1289269868 /nfs/dbraw/zinc/26/98/68/1289269868.db2.gz WXRKTWBVQUPBOR-JTQLQIEISA-N -2 0 352.368 0.483 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCNC(=O)C(C)(C)C ZINC001609638204 1289270018 /nfs/dbraw/zinc/27/00/18/1289270018.db2.gz BWMWFWVPICDGMG-NXEZZACHSA-N -2 0 350.437 0.484 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C2OCCO2)c1 ZINC001609638940 1289270777 /nfs/dbraw/zinc/27/07/77/1289270777.db2.gz OLRJWOUFEVMZSX-VHSXEESVSA-N -2 0 357.384 0.901 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1ccncc1 ZINC001609639075 1289270841 /nfs/dbraw/zinc/27/08/41/1289270841.db2.gz QKVVVFIPFIORJJ-UWVGGRQHSA-N -2 0 366.399 0.651 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)C1CCN(CC(F)(F)F)CC1 ZINC001609638794 1289271009 /nfs/dbraw/zinc/27/10/09/1289271009.db2.gz LNFQMWBKPKKHJX-IUCAKERBSA-N -2 0 374.381 0.816 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1ccncc1 ZINC001609639074 1289271033 /nfs/dbraw/zinc/27/10/33/1289271033.db2.gz QKVVVFIPFIORJJ-NXEZZACHSA-N -2 0 366.399 0.651 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCCNC(=O)OC(C)(C)C ZINC001609642198 1289271311 /nfs/dbraw/zinc/27/13/11/1289271311.db2.gz IAOLFZILUUBRIR-VIFPVBQESA-N -2 0 352.409 0.601 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCc1cnn(-c2ccccc2)c1 ZINC001609642019 1289271322 /nfs/dbraw/zinc/27/13/22/1289271322.db2.gz AIEQSMVPDROKIM-LLVKDONJSA-N -2 0 351.384 0.724 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C[C@H](c1ccccc1)N1CCOC1=O ZINC001609642523 1289271440 /nfs/dbraw/zinc/27/14/40/1289271440.db2.gz VHUQXTKZCLWFJZ-ZYHUDNBSSA-N -2 0 370.383 0.489 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC001609642804 1289271452 /nfs/dbraw/zinc/27/14/52/1289271452.db2.gz DZGDNFVCBLWWRO-SSDOTTSWSA-N -2 0 358.397 0.654 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC001609642737 1289271570 /nfs/dbraw/zinc/27/15/70/1289271570.db2.gz CDRXIVFDWIVXQM-ZCFIWIBFSA-N -2 0 371.339 0.216 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccccc1CN1CCOCC1 ZINC001609643485 1289272429 /nfs/dbraw/zinc/27/24/29/1289272429.db2.gz NKTPRJVLEHKHPK-NSHDSACASA-N -2 0 356.400 0.052 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001609716156 1289286260 /nfs/dbraw/zinc/28/62/60/1289286260.db2.gz XPRGHARAOABWHR-VIFPVBQESA-N -2 0 363.296 0.063 20 0 FCADRL C[C@@H](NC(=O)CC(C)(C)C)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001609758612 1289291962 /nfs/dbraw/zinc/29/19/62/1289291962.db2.gz AKRDKCKNCHIAMW-SECBINFHSA-N -2 0 350.437 0.484 20 0 FCADRL C[C@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001609763883 1289294744 /nfs/dbraw/zinc/29/47/44/1289294744.db2.gz YCYFTFJYIJATAL-ZETCQYMHSA-N -2 0 362.429 0.802 20 0 FCADRL C[C@H](NC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC001609775542 1289296436 /nfs/dbraw/zinc/29/64/36/1289296436.db2.gz YTAGXYRBVROQNS-QMMMGPOBSA-N -2 0 370.362 0.563 20 0 FCADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)C1 ZINC001609841594 1289309836 /nfs/dbraw/zinc/30/98/36/1289309836.db2.gz XIKUNGNYWUXMCN-WDEREUQCSA-N -2 0 364.354 0.658 20 0 FCADRL C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)C[C@H]1C(=O)[O-] ZINC001609855519 1289312681 /nfs/dbraw/zinc/31/26/81/1289312681.db2.gz NDXBISYDRCDRSM-JHJVBQTASA-N -2 0 368.430 0.905 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)C1=O ZINC001609942157 1289330970 /nfs/dbraw/zinc/33/09/70/1289330970.db2.gz TZIKPSUGRMWKRZ-AWEZNQCLSA-N -2 0 373.362 0.367 20 0 FCADRL CCC[C@@H](O)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C)C(=O)[O-] ZINC001609957690 1289333796 /nfs/dbraw/zinc/33/37/96/1289333796.db2.gz FENPXRVBSFXKNX-PWSUYJOCSA-N -2 0 363.363 0.725 20 0 FCADRL CCCc1c(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])[nH]c(C)c1C(=O)OC ZINC001609985042 1289336990 /nfs/dbraw/zinc/33/69/90/1289336990.db2.gz ZITNYBKVANSBHO-UHFFFAOYSA-N -2 0 360.388 0.597 20 0 FCADRL CCCc1noc(CCCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])n1 ZINC001609986135 1289337148 /nfs/dbraw/zinc/33/71/48/1289337148.db2.gz JOMYZKSILMKFAA-UWVGGRQHSA-N -2 0 361.420 0.900 20 0 FCADRL CCOC[C@@H](C(=O)[O-])N(C)C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC001610030024 1289352482 /nfs/dbraw/zinc/35/24/82/1289352482.db2.gz HLEHEWBNLMOZRE-LBPRGKRZSA-N -2 0 365.411 0.633 20 0 FCADRL CCc1nc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])nn1-c1ccccc1 ZINC001610071511 1289362516 /nfs/dbraw/zinc/36/25/16/1289362516.db2.gz XMKNQBWVCYBDOY-UHFFFAOYSA-N -2 0 352.372 0.364 20 0 FCADRL CCc1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001610074102 1289364146 /nfs/dbraw/zinc/36/41/46/1289364146.db2.gz XMJPTEFMQSOZMU-RQJHMYQMSA-N -2 0 351.812 0.805 20 0 FCADRL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)cc1 ZINC001610096598 1289369558 /nfs/dbraw/zinc/36/95/58/1289369558.db2.gz JIWGOXUOPPCKPC-UHFFFAOYSA-N -2 0 350.356 0.677 20 0 FCADRL CN(CC(=O)Nc1ccccc1C(=O)[O-])S(=O)(=O)CCCC(=O)[O-] ZINC001610111444 1289377253 /nfs/dbraw/zinc/37/72/53/1289377253.db2.gz YNTDUMQCKINXFO-UHFFFAOYSA-N -2 0 358.372 0.450 20 0 FCADRL CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC001610140940 1289394282 /nfs/dbraw/zinc/39/42/82/1289394282.db2.gz BZEYEBSOADMOMY-UHFFFAOYSA-N -2 0 368.371 0.585 20 0 FCADRL CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)c1 ZINC001610148208 1289398431 /nfs/dbraw/zinc/39/84/31/1289398431.db2.gz SGNAWNOOWZFBRV-UHFFFAOYSA-N -2 0 373.412 0.432 20 0 FCADRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)N[C@H](C)CC(=O)[O-] ZINC001610192168 1289419663 /nfs/dbraw/zinc/41/96/63/1289419663.db2.gz CCACJJULPXAMLY-RXMQYKEDSA-N -2 0 365.385 0.683 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)NCC1(CC(=O)[O-])CC1 ZINC001610208851 1289426782 /nfs/dbraw/zinc/42/67/82/1289426782.db2.gz BYQICJWHTSHUEI-UHFFFAOYSA-N -2 0 371.367 0.705 20 0 FCADRL COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001610222306 1289430932 /nfs/dbraw/zinc/43/09/32/1289430932.db2.gz RJAWKGDTOXTDML-UHFFFAOYSA-N -2 0 358.353 0.680 20 0 FCADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)C(=O)[O-] ZINC001610222468 1289431205 /nfs/dbraw/zinc/43/12/05/1289431205.db2.gz RJJYZMJHEOITIA-RXMQYKEDSA-N -2 0 351.358 0.327 20 0 FCADRL COc1c(S(=O)(=O)[N-]C(=O)c2c(C)[nH]c(C(=O)[O-])c2C)c(C)nn1C ZINC001610278254 1289448326 /nfs/dbraw/zinc/44/83/26/1289448326.db2.gz FCYSSTFNDNKDJJ-UHFFFAOYSA-N -2 0 370.387 0.499 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]N2CCCNC2=O)c(OC)c1C(=O)[O-] ZINC001610345453 1289465846 /nfs/dbraw/zinc/46/58/46/1289465846.db2.gz GSUJDWZJHQXXRF-UHFFFAOYSA-N -2 0 359.360 0.011 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)c2cccn2C)c(CC(=O)[O-])c1 ZINC001610346594 1289466642 /nfs/dbraw/zinc/46/66/42/1289466642.db2.gz YYIHZAMWHWICQY-UHFFFAOYSA-N -2 0 352.368 0.780 20 0 FCADRL CS(=O)(=O)c1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cccnc2)c1 ZINC001610378708 1289475631 /nfs/dbraw/zinc/47/56/31/1289475631.db2.gz XSNAMGOYAXGKQA-UHFFFAOYSA-N -2 0 356.381 0.984 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC001610409073 1289481731 /nfs/dbraw/zinc/48/17/31/1289481731.db2.gz XSCSXQZAEKASAI-ZWNOBZJWSA-N -2 0 357.384 0.539 20 0 FCADRL Cc1c(NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])cnn1CC(=O)[O-] ZINC001610420253 1289483937 /nfs/dbraw/zinc/48/39/37/1289483937.db2.gz IZFNDKBSPMTBAM-SNVBAGLBSA-N -2 0 354.363 0.078 20 0 FCADRL Cc1cc(F)ccc1-n1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])nn1 ZINC001610467983 1289490497 /nfs/dbraw/zinc/49/04/97/1289490497.db2.gz WFYXLVXYCODFGI-UHFFFAOYSA-N -2 0 370.362 0.639 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)nc(N2CCOCC2)n1 ZINC001610474668 1289492318 /nfs/dbraw/zinc/49/23/18/1289492318.db2.gz WZZOEPQOVBRNBD-UHFFFAOYSA-N -2 0 368.371 0.714 20 0 FCADRL Cc1ccc(C(=O)N[C@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])C(C)C)cc1 ZINC001610483973 1289494312 /nfs/dbraw/zinc/49/43/12/1289494312.db2.gz OAAYNKLJVOLAEF-ZDUSSCGKSA-N -2 0 356.400 0.280 20 0 FCADRL Cc1ccc(-n2nc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])c3c2CCC3)cc1 ZINC001610481942 1289494410 /nfs/dbraw/zinc/49/44/10/1289494410.db2.gz FKIKLMCZLXYHPH-UHFFFAOYSA-N -2 0 363.395 0.814 20 0 FCADRL Cc1ccc([C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C(=O)[O-])cc1C ZINC001610494808 1289495137 /nfs/dbraw/zinc/49/51/37/1289495137.db2.gz WNNCSYDMRKWZSP-AWEZNQCLSA-N -2 0 355.354 0.630 20 0 FCADRL Cc1ccc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)c(C(=O)[O-])c1 ZINC001610512556 1289498483 /nfs/dbraw/zinc/49/84/83/1289498483.db2.gz IUSMCQRFKOCKJL-UHFFFAOYSA-N -2 0 357.384 0.853 20 0 FCADRL Cc1cccc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)[O-])c1C(=O)[O-] ZINC001610526226 1289501642 /nfs/dbraw/zinc/50/16/42/1289501642.db2.gz YZAQMZLQJGSOLR-WDEREUQCSA-N -2 0 357.384 0.851 20 0 FCADRL Cc1cnn(C[C@@H](NS(=O)(=O)c2ccc(F)cc2C(=O)[O-])C(=O)[O-])c1 ZINC001610542118 1289504607 /nfs/dbraw/zinc/50/46/07/1289504607.db2.gz SKVULHQWGZRMOF-LLVKDONJSA-N -2 0 371.346 0.461 20 0 FCADRL Cc1nc(CN([C@H](C)C(=O)[O-])S(=O)(=O)C[C@@H](C)C(=O)[O-])cs1 ZINC001610554444 1289507919 /nfs/dbraw/zinc/50/79/19/1289507919.db2.gz BAKHBZNTEYQIKS-HTQZYQBOSA-N -2 0 350.418 0.777 20 0 FCADRL Cc1nn(C)c(C)c1C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001610569297 1289513279 /nfs/dbraw/zinc/51/32/79/1289513279.db2.gz USEBWHOVZRBYKY-UHFFFAOYSA-N -2 0 351.384 0.995 20 0 FCADRL Cn1cc([C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C(=O)[O-])cn1 ZINC001610601936 1289523970 /nfs/dbraw/zinc/52/39/70/1289523970.db2.gz PFDNGALIXYMHJI-NSHDSACASA-N -2 0 373.774 0.876 20 0 FCADRL Cn1cc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cc1C(=O)[O-] ZINC001610606814 1289525477 /nfs/dbraw/zinc/52/54/77/1289525477.db2.gz ZOKLQNRHQRSBFR-MRVPVSSYSA-N -2 0 355.376 0.115 20 0 FCADRL Cn1cnc(S(=O)(=O)[N-]C(=O)Cc2cccc(C(=O)[O-])c2)c1Cl ZINC001610611286 1289528003 /nfs/dbraw/zinc/52/80/03/1289528003.db2.gz LQLNXOLWQSRJFH-UHFFFAOYSA-N -2 0 357.775 0.819 20 0 FCADRL Cn1ncc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])c1C1CC1 ZINC001610614010 1289529240 /nfs/dbraw/zinc/52/92/40/1289529240.db2.gz BOHMYNRTJXHHGQ-UHFFFAOYSA-N -2 0 356.385 0.571 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)Cc1cn2ccccc2n1 ZINC001610675585 1289548701 /nfs/dbraw/zinc/54/87/01/1289548701.db2.gz RAJAUWFPCVYIEZ-UHFFFAOYSA-N -2 0 366.380 0.537 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)COCc2cccnc2)s1 ZINC001610668885 1289548799 /nfs/dbraw/zinc/54/87/99/1289548799.db2.gz CTLBVLDLUPGVRF-UHFFFAOYSA-N -2 0 356.381 0.863 20 0 FCADRL O=C([O-])[C@@H](O)CNC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC001610696107 1289559178 /nfs/dbraw/zinc/55/91/78/1289559178.db2.gz ARFLMTCSOYIOAG-QMMMGPOBSA-N -2 0 356.278 0.123 20 0 FCADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cnn(CC3CC3)c2)C1 ZINC001610741162 1289574126 /nfs/dbraw/zinc/57/41/26/1289574126.db2.gz OAXRXWUQDPNHGZ-VXGBXAGGSA-N -2 0 355.416 0.989 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)Cc2ccccc2)CC1 ZINC001610755497 1289579700 /nfs/dbraw/zinc/57/97/00/1289579700.db2.gz UTWKGQSAEJDQPQ-OCCSQVGLSA-N -2 0 371.411 0.218 20 0 FCADRL O=C([O-])CCN(CCO)S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001610773534 1289586289 /nfs/dbraw/zinc/58/62/89/1289586289.db2.gz YXVJEIPYVDAQHO-UHFFFAOYSA-N -2 0 351.764 0.496 20 0 FCADRL O=C([O-])CCNC(=O)COC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001610773843 1289586297 /nfs/dbraw/zinc/58/62/97/1289586297.db2.gz FZCMWNRVGJAPFO-UHFFFAOYSA-N -2 0 369.280 0.604 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)CCc1cnn(-c2ccccc2)c1 ZINC001610775010 1289587270 /nfs/dbraw/zinc/58/72/70/1289587270.db2.gz BLXPTQWXFWLJQI-UHFFFAOYSA-N -2 0 351.384 0.726 20 0 FCADRL O=C([O-])CSCCNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001610790334 1289594573 /nfs/dbraw/zinc/59/45/73/1289594573.db2.gz LJJHNSWFGRTWSB-LBPRGKRZSA-N -2 0 351.384 0.640 20 0 FCADRL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NOC[C@H]3CCOC3)cc2)[nH]1 ZINC001610791450 1289594918 /nfs/dbraw/zinc/59/49/18/1289594918.db2.gz DVMRMEGPMFJKHS-NSHDSACASA-N -2 0 361.354 0.491 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)c1n[nH]c2c1CCCCC2 ZINC001610871733 1289614301 /nfs/dbraw/zinc/61/43/01/1289614301.db2.gz SPQBNEXTLCYFQJ-UHFFFAOYSA-N -2 0 370.412 0.952 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)CC2)c1 ZINC001610883706 1289615687 /nfs/dbraw/zinc/61/56/87/1289615687.db2.gz NTYDUOXAVXCXAZ-NSHDSACASA-N -2 0 354.384 0.247 20 0 FCADRL O=C(c1ncc(Br)cc1[O-])N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001627165690 1290443538 /nfs/dbraw/zinc/44/35/38/1290443538.db2.gz NBECZYUUYNIITR-MRVPVSSYSA-N -2 0 355.152 0.277 20 0 FCADRL Cn1[nH]c(C(C)(C)C)cc1=NC(=O)CNC1(CC(=O)[O-])CCOCC1 ZINC001118506349 847453175 /nfs/dbraw/zinc/45/31/75/847453175.db2.gz NMGRXKMNHPXEKJ-UHFFFAOYSA-N -2 0 352.435 0.692 20 0 FCADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)[N-]OCCC(F)(F)F)n1 ZINC001118543129 847471984 /nfs/dbraw/zinc/47/19/84/847471984.db2.gz XESLADIALYGJPU-UHFFFAOYSA-N -2 0 352.269 0.642 20 0 FCADRL O=C(CSc1nc2ccccc2c(=O)[nH]1)NCCOP(=O)([O-])[O-] ZINC001142381112 849442202 /nfs/dbraw/zinc/44/22/02/849442202.db2.gz UVBPTFYJFNGMJE-UHFFFAOYSA-N -2 0 359.300 0.653 20 0 FCADRL CCOC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])[nH]n1 ZINC001148915161 849621022 /nfs/dbraw/zinc/62/10/22/849621022.db2.gz JTIOVNQINQKFIW-UHFFFAOYSA-N -2 0 355.328 0.791 20 0 FCADRL NC(=O)c1cc(O)cc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c1 ZINC001148926629 849622054 /nfs/dbraw/zinc/62/20/54/849622054.db2.gz RVGBYYHBLUFNLM-UHFFFAOYSA-N -2 0 352.324 0.696 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1[nH]nc2ncc(Br)cc21 ZINC001151743001 849693845 /nfs/dbraw/zinc/69/38/45/849693845.db2.gz NTYDKQZRGYSUSM-UHFFFAOYSA-N -2 0 365.080 0.560 20 0 FCADRL O=C([O-])c1sc(C(=O)NCCOP(=O)([O-])[O-])c2c1OCCO2 ZINC001152714031 849722999 /nfs/dbraw/zinc/72/29/99/849722999.db2.gz UELWLYMJZSWOTI-UHFFFAOYSA-N -3 0 353.245 0.057 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001153001333 849731554 /nfs/dbraw/zinc/73/15/54/849731554.db2.gz LCXZWIQUCOVLBP-MRVPVSSYSA-N -2 0 354.367 0.340 20 0 FCADRL CN1C(=O)COc2c(C(=O)NCCOP(=O)([O-])[O-])cc(Cl)cc21 ZINC001154917025 849821412 /nfs/dbraw/zinc/82/14/12/849821412.db2.gz DAJYYRZFICOEGE-UHFFFAOYSA-N -2 0 364.678 0.534 20 0 FCADRL N=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)SCCS(=O)(=O)[O-] ZINC001168092779 850571189 /nfs/dbraw/zinc/57/11/89/850571189.db2.gz GVZORNMFKIFPPH-UHFFFAOYSA-N -2 0 365.414 0.086 20 0 FCADRL Cc1nc(N)nc2c1nc(NCCOP(=O)([O-])[O-])c(=O)n2C(C)C ZINC001168591660 850590898 /nfs/dbraw/zinc/59/08/98/850590898.db2.gz VIZJPOWCNBZYPQ-UHFFFAOYSA-N -2 0 358.295 0.179 20 0 FCADRL CC(C)(C(=O)NCCOP(=O)([O-])[O-])c1ncc(Br)cn1 ZINC001177813580 850870288 /nfs/dbraw/zinc/87/02/88/850870288.db2.gz MKSMEHDARGKMDG-UHFFFAOYSA-N -2 0 368.124 0.742 20 0 FCADRL CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](C(=O)NCCOP(=O)([O-])[O-])C1 ZINC001178892669 850937287 /nfs/dbraw/zinc/93/72/87/850937287.db2.gz LSKZMBWCVPNZTP-NXEZZACHSA-N -2 0 370.314 0.807 20 0 FCADRL CS(=O)(=O)c1ccc(C[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])nc1 ZINC001180176131 851017320 /nfs/dbraw/zinc/01/73/20/851017320.db2.gz NHJCTOGBYLWLNG-UHFFFAOYSA-N -2 0 358.269 0.457 20 0 FCADRL COC(=O)c1ccc([C@H](CO)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])cc1 ZINC001180180854 851017589 /nfs/dbraw/zinc/01/75/89/851017589.db2.gz VJCPUWQKQXFAJK-VIFPVBQESA-N -2 0 367.251 0.978 20 0 FCADRL O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCCOP(=O)([O-])[O-] ZINC001180799303 851068387 /nfs/dbraw/zinc/06/83/87/851068387.db2.gz HWAFJWKDFLINBE-UHFFFAOYSA-N -2 0 370.220 0.661 20 0 FCADRL C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCCOP(=O)([O-])[O-])CC1=O ZINC001181269858 851098699 /nfs/dbraw/zinc/09/86/99/851098699.db2.gz PBALFMJAVJCUMD-YPMHNXCESA-N -2 0 356.315 0.822 20 0 FCADRL COC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186144551 851415789 /nfs/dbraw/zinc/41/57/89/851415789.db2.gz ZRAKRASTHRPHLO-UHFFFAOYSA-N -2 0 357.319 0.845 20 0 FCADRL NC(=O)c1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cn1 ZINC001187553307 851577450 /nfs/dbraw/zinc/57/74/50/851577450.db2.gz OMOKSLTXBBXIHP-UHFFFAOYSA-N -2 0 356.747 0.728 20 0 FCADRL CNC(=O)NC1CCN(C(=O)c2ccccc2OP(=O)([O-])[O-])CC1 ZINC001189888329 851837279 /nfs/dbraw/zinc/83/72/79/851837279.db2.gz XJSLABSDGODJJH-UHFFFAOYSA-N -2 0 357.303 0.692 20 0 FCADRL O=C([O-])c1cc(C(=O)NC2C(=O)N=CN=C2[O-])cc(S(=O)(=O)[O-])c1 ZINC001189915344 851841905 /nfs/dbraw/zinc/84/19/05/851841905.db2.gz SHKVKSZQTQHCFX-UHFFFAOYSA-N -3 0 355.284 0.085 20 0 FCADRL O=C([O-])c1cc(C(=O)Nc2cnn3c2OCCC3)cc(S(=O)(=O)[O-])c1 ZINC001189914154 851842030 /nfs/dbraw/zinc/84/20/30/851842030.db2.gz FGJSNYRQHPBYTL-UHFFFAOYSA-N -2 0 367.339 0.863 20 0 FCADRL Cc1cnc(CCNC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)nc1 ZINC001189913826 851842152 /nfs/dbraw/zinc/84/21/52/851842152.db2.gz CNVVUTJJGNDMGF-UHFFFAOYSA-N -2 0 365.367 0.702 20 0 FCADRL Cc1cc(CN(C)C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)n(C)n1 ZINC001189923566 851843068 /nfs/dbraw/zinc/84/30/68/851843068.db2.gz LZQJHVLFYVLLBY-UHFFFAOYSA-N -2 0 367.383 0.946 20 0 FCADRL CCN(CCC(=O)OC)C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189924665 851844409 /nfs/dbraw/zinc/84/44/09/851844409.db2.gz SVYSGRIBASUHEH-UHFFFAOYSA-N -2 0 359.356 0.657 20 0 FCADRL C[NH+](C)C[C@@H]1COCCN1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189923960 851844472 /nfs/dbraw/zinc/84/44/72/851844472.db2.gz GOSHDNVVFMYWPH-GFCCVEGCSA-N -2 0 372.399 0.034 20 0 FCADRL CN(C)C(=O)[C@@]12C[C@@H]1CCN2C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001278367064 862307622 /nfs/dbraw/zinc/30/76/22/862307622.db2.gz UKKJQDXEOMZHQA-ZUZCIYMTSA-N -2 0 354.299 0.851 20 0 FCADRL NS(=O)(=O)c1cc(C(=O)NC2C(=O)N=CN=C2[O-])c([O-])cc1Cl ZINC001191018419 852003037 /nfs/dbraw/zinc/00/30/37/852003037.db2.gz YGFLTWPGDWGKRN-UHFFFAOYSA-N -2 0 360.735 0.147 20 0 FCADRL CC(=O)Nc1cccc(-c2cc(C(=O)NCCOP(=O)([O-])[O-])[nH]n2)c1 ZINC001191397140 852062180 /nfs/dbraw/zinc/06/21/80/852062180.db2.gz VRSOHACZUOBRFX-UHFFFAOYSA-N -2 0 368.286 0.874 20 0 FCADRL COc1cc(C(=O)NCCOP(=O)([O-])[O-])cc(Br)n1 ZINC001194993485 852689223 /nfs/dbraw/zinc/68/92/23/852689223.db2.gz RLDIYKNEZYOILP-UHFFFAOYSA-N -2 0 355.081 0.692 20 0 FCADRL NC(=O)c1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC001195195101 852722019 /nfs/dbraw/zinc/72/20/19/852722019.db2.gz PSKKULGSHXNMML-UHFFFAOYSA-N -2 0 358.282 0.353 20 0 FCADRL Cc1cnn(CCO)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195206080 852724519 /nfs/dbraw/zinc/72/45/19/852724519.db2.gz WWKZDMGSNLGLSZ-UHFFFAOYSA-N -2 0 361.326 0.961 20 0 FCADRL COc1cnc(Br)cc1C(=O)NCCOP(=O)([O-])[O-] ZINC001197168004 853072240 /nfs/dbraw/zinc/07/22/40/853072240.db2.gz JMGMUVOJSOYBJL-UHFFFAOYSA-N -2 0 355.081 0.692 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2cccnc2)c([O-])c1 ZINC001197457468 853119415 /nfs/dbraw/zinc/11/94/15/853119415.db2.gz HMCKWDJTZRBZDI-UHFFFAOYSA-N -2 0 371.440 0.979 20 0 FCADRL COCCn1nc(C(=O)NCCOP(=O)([O-])[O-])cc1C(F)(F)F ZINC001199156114 853382687 /nfs/dbraw/zinc/38/26/87/853382687.db2.gz XLOVJYRGWQFHIB-UHFFFAOYSA-N -2 0 361.213 0.387 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1nccc(OCC2CCOCC2)n1 ZINC001199176224 853384710 /nfs/dbraw/zinc/38/47/10/853384710.db2.gz LCZRIFSMLWOOTJ-UHFFFAOYSA-N -2 0 361.291 0.121 20 0 FCADRL Cc1cccc(C)c1NC(=O)COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001205307478 853602770 /nfs/dbraw/zinc/60/27/70/853602770.db2.gz GDBWGGHIDYNTED-QMTHXVAHSA-N -2 0 353.327 0.322 20 0 FCADRL O=S(=O)([O-])c1cc(O)c(OC2CCC(O)CC2)c(S(=O)(=O)[O-])c1 ZINC001218368203 855419383 /nfs/dbraw/zinc/41/93/83/855419383.db2.gz ITSMDTXKSJEBRI-UHFFFAOYSA-N -2 0 368.385 0.568 20 0 FCADRL CCOC(=O)CCCCCCCOC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001224371252 856981728 /nfs/dbraw/zinc/98/17/28/856981728.db2.gz FQWQJRLKOXFPMC-RISCZKNCSA-N -2 0 362.375 0.970 20 0 FCADRL CCOP(=O)(CCOC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])OCC ZINC001224727212 856998673 /nfs/dbraw/zinc/99/86/73/856998673.db2.gz QTJUOUNULPZVGX-WCBMZHEXSA-N -2 0 356.264 0.332 20 0 FCADRL COC(=O)c1ccccc1CCOC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001224737989 856999284 /nfs/dbraw/zinc/99/92/84/856999284.db2.gz WRYQEFBZHCFTGF-AAEUAGOBSA-N -2 0 354.311 0.095 20 0 FCADRL COC(=O)c1ccccc1CCOC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001224737991 856999587 /nfs/dbraw/zinc/99/95/87/856999587.db2.gz WRYQEFBZHCFTGF-WCQYABFASA-N -2 0 354.311 0.095 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(Br)ccc1O)[C@H](O)C(=O)[O-] ZINC001225699815 857054884 /nfs/dbraw/zinc/05/48/84/857054884.db2.gz CZRHUSHHZRICMD-LDWIPMOCSA-N -2 0 363.116 0.597 20 0 FCADRL COc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1Br ZINC001225712149 857055386 /nfs/dbraw/zinc/05/53/86/857055386.db2.gz BCQVYSZNMDLCTN-MRVPVSSYSA-N -2 0 371.076 0.833 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(C(F)(F)F)nc(=S)[nH]1)[C@H](O)C(=O)[O-] ZINC001225850461 857066769 /nfs/dbraw/zinc/06/67/69/857066769.db2.gz KHDWLNMXZBBPGI-NFNCENRGSA-N -2 0 370.261 0.226 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1c(F)c(F)c([O-])c(F)c1F)[C@@H](O)C(=O)[O-] ZINC001225886003 857070218 /nfs/dbraw/zinc/07/02/18/857070218.db2.gz RDULNFVMPFWBEL-NNNJFRICSA-N -3 0 356.180 0.390 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1c(F)c(F)c([O-])c(F)c1F)[C@H](O)C(=O)[O-] ZINC001225885997 857070710 /nfs/dbraw/zinc/07/07/10/857070710.db2.gz RDULNFVMPFWBEL-GDXIOXCRSA-N -3 0 356.180 0.390 20 0 FCADRL COc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(OC)c1OC ZINC001226033637 857080111 /nfs/dbraw/zinc/08/01/11/857080111.db2.gz NGUQFFOEXHWKFI-WRWORJQWSA-N -2 0 358.299 0.154 20 0 FCADRL CC(=O)Nc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(Cl)c1 ZINC001226878773 857128506 /nfs/dbraw/zinc/12/85/06/857128506.db2.gz BPRPIUWETZKSJF-SECBINFHSA-N -2 0 353.651 0.674 20 0 FCADRL COc1cccc2sc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc21 ZINC001226988683 857135559 /nfs/dbraw/zinc/13/55/59/857135559.db2.gz HZLPAZMMSLWVHZ-UPONEAKYSA-N -2 0 355.324 0.747 20 0 FCADRL O=C(Oc1ccc(F)cc1Br)[C@H](O)COP(=O)([O-])[O-] ZINC001227371967 857157410 /nfs/dbraw/zinc/15/74/10/857157410.db2.gz OFUJQVZBKLIGFT-SSDOTTSWSA-N -2 0 359.040 0.964 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ncc(Br)cc1F)[C@@H](O)C(=O)[O-] ZINC001227402098 857158488 /nfs/dbraw/zinc/15/84/88/857158488.db2.gz OUKPLPUSBYJJRP-YLWLKBPMSA-N -2 0 366.095 0.425 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc(Br)c(F)cn1)[C@@H](O)C(=O)[O-] ZINC001227580598 857166188 /nfs/dbraw/zinc/16/61/88/857166188.db2.gz FJIZUALDTKVFIL-AJAUBTJJSA-N -2 0 366.095 0.425 20 0 FCADRL Cn1ccc2nc(Cl)nc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c21 ZINC001227790093 857178443 /nfs/dbraw/zinc/17/84/43/857178443.db2.gz JFWJZLVYCYEJTE-ANLVUFKYSA-N -2 0 357.706 0.064 20 0 FCADRL COc1cc2c(cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])C=NCC2 ZINC001228093725 857191546 /nfs/dbraw/zinc/19/15/46/857191546.db2.gz ZXSPMXRCJCHDJT-YGRLFVJLSA-N -2 0 351.311 0.112 20 0 FCADRL CCOCc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(OC)c1 ZINC001228169287 857194428 /nfs/dbraw/zinc/19/44/28/857194428.db2.gz FRULWWCFNMADJR-QMTHXVAHSA-N -2 0 356.327 0.674 20 0 FCADRL O=C(Oc1ccc(O)cc1Br)[C@H](O)COP(=O)([O-])[O-] ZINC001228206954 857197343 /nfs/dbraw/zinc/19/73/43/857197343.db2.gz TYUIXLPLYWJGRY-SSDOTTSWSA-N -2 0 357.049 0.530 20 0 FCADRL CC(C)COC(=O)c1ccccc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001228397740 857207717 /nfs/dbraw/zinc/20/77/17/857207717.db2.gz IQOPMHIYCUCJDM-LLVKDONJSA-N -2 0 362.271 0.875 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2ccc(Cl)cc21)[C@H](O)C(=O)[O-] ZINC001228911335 857238602 /nfs/dbraw/zinc/23/86/02/857238602.db2.gz CKRCBIYOUDKEBF-XVKPBYJWSA-N -3 0 370.701 0.431 20 0 FCADRL CCOC(=O)c1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cnc1C ZINC001229028717 857245103 /nfs/dbraw/zinc/24/51/03/857245103.db2.gz HZGNJJYLVZJKDW-PWSUYJOCSA-N -2 0 355.299 0.009 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=S)nc2sccc21)[C@@H](O)C(=O)[O-] ZINC001229570077 857275913 /nfs/dbraw/zinc/27/59/13/857275913.db2.gz OIJLMWMESWVHCO-IYSWYEEDSA-N -2 0 358.353 0.422 20 0 FCADRL C[C@H]1C[C@@H](Oc2c(O)cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])CCO1 ZINC001230143913 857307654 /nfs/dbraw/zinc/30/76/54/857307654.db2.gz JMMAMBMLQBDYTI-YUMQZZPRSA-N -2 0 368.385 0.832 20 0 FCADRL CC(=O)N1CCc2c1cccc2OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230484101 857340748 /nfs/dbraw/zinc/34/07/48/857340748.db2.gz AIRHKPVRFMVUQE-YGRLFVJLSA-N -2 0 351.311 0.037 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(C(=O)C(F)(F)F)cc1)[C@@H](O)C(=O)[O-] ZINC001230700309 857345933 /nfs/dbraw/zinc/34/59/33/857345933.db2.gz FPONHUYAKPXPFN-WCBMZHEXSA-N -2 0 364.228 0.873 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ncnc2cccc(Cl)c21)[C@H](O)C(=O)[O-] ZINC001230760207 857347127 /nfs/dbraw/zinc/34/71/27/857347127.db2.gz XRIPYHPHYBKYRX-KBUNVGBDSA-N -2 0 354.702 0.725 20 0 FCADRL Cn1c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc2ccc(Cl)nc21 ZINC001231042040 857354762 /nfs/dbraw/zinc/35/47/62/857354762.db2.gz PCOSASUWRKLCLN-MLUIRONXSA-N -2 0 357.706 0.064 20 0 FCADRL O=C(Oc1nc2cc(Cl)[n-]c(Cl)c-2n1)[C@H](O)COP(=O)([O-])[O-] ZINC001231051337 857354905 /nfs/dbraw/zinc/35/49/05/857354905.db2.gz YAUKSSGQTRWKHV-SCSAIBSYSA-N -3 0 372.057 0.640 20 0 FCADRL Cc1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc(C(F)(F)F)c1 ZINC001233559781 857387468 /nfs/dbraw/zinc/38/74/68/857387468.db2.gz RCKRLCFXHVNQEG-LDWIPMOCSA-N -2 0 351.233 0.851 20 0 FCADRL CC(=O)c1ccc2nc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])sc2c1 ZINC001233604125 857387556 /nfs/dbraw/zinc/38/75/56/857387556.db2.gz BCABEGSWAXXKHA-PRHODGIISA-N -2 0 367.335 0.941 20 0 FCADRL CS(=O)(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(Cl)c1 ZINC001234108882 857395888 /nfs/dbraw/zinc/39/58/88/857395888.db2.gz IEDSZBYPEDDYTL-MRVPVSSYSA-N -2 0 374.691 0.119 20 0 FCADRL CC(=O)O[C@H]1CO[C@@H]2[C@H](Oc3ccc(OP(=O)([O-])[O-])cc3)CO[C@@H]21 ZINC001234334149 857401838 /nfs/dbraw/zinc/40/18/38/857401838.db2.gz DQBKMPMLQCKOAL-REWJHTLYSA-N -2 0 360.255 0.635 20 0 FCADRL COC(=O)CCc1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234343863 857402053 /nfs/dbraw/zinc/40/20/53/857402053.db2.gz FJXOKNMYNZRXTJ-IINYFYTJSA-N -2 0 354.311 0.234 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc([C@H]2CCC(=O)N2)cc1)[C@@H](O)C(=O)[O-] ZINC001234485738 857407031 /nfs/dbraw/zinc/40/70/31/857407031.db2.gz KDUVJMHUZQPFRQ-MISXGVKJSA-N -2 0 351.311 0.080 20 0 FCADRL COc1cc(O)cc(C(C)=O)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234789082 857412261 /nfs/dbraw/zinc/41/22/61/857412261.db2.gz FLOMOANVUURPDI-BXKDBHETSA-N -2 0 356.283 0.045 20 0 FCADRL COC(=O)c1c(F)ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1F ZINC001234676111 857412287 /nfs/dbraw/zinc/41/22/87/857412287.db2.gz ITFFFVKKLGYAPQ-DYEAUMGKSA-N -2 0 362.237 0.193 20 0 FCADRL C[C@H]1CC(=O)N(C)c2ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc21 ZINC001234851545 857413930 /nfs/dbraw/zinc/41/39/30/857413930.db2.gz LKTZPVXMJWZUKY-QPUJVOFHSA-N -2 0 359.271 0.532 20 0 FCADRL COc1cc(OC)c(Cl)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001234885377 857414727 /nfs/dbraw/zinc/41/47/27/857414727.db2.gz NKCZFIFLPYBZFQ-JMCQJSRRSA-N -2 0 362.718 0.799 20 0 FCADRL COc1c(Cl)ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1F ZINC001234965944 857416646 /nfs/dbraw/zinc/41/66/46/857416646.db2.gz YAXGYBFLXWEQIQ-GPXNAGAYSA-N -2 0 350.682 0.930 20 0 FCADRL O=P([O-])([O-])OCCNC(=S)Nc1ccc(N2CCOCC2)cc1 ZINC001247266822 857610470 /nfs/dbraw/zinc/61/04/70/857610470.db2.gz XESAFTNXCHIIDQ-UHFFFAOYSA-N -2 0 361.360 0.919 20 0 FCADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(NC[C@H](O)C(F)(F)F)c1 ZINC001250980968 857674235 /nfs/dbraw/zinc/67/42/35/857674235.db2.gz KGSABBYCVZCZBQ-QMMMGPOBSA-N -2 0 365.307 0.515 20 0 FCADRL CC(C)OC[C@@H](O)CNc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001252682561 857834069 /nfs/dbraw/zinc/83/40/69/857834069.db2.gz IPSQHCSPYIVONE-VIFPVBQESA-N -2 0 369.417 0.378 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@@H]2SC(=O)[N-]C2=O)c(F)cc1Cl ZINC001259221318 858249806 /nfs/dbraw/zinc/24/98/06/858249806.db2.gz BAOZBIBWTOOQMI-MRVPVSSYSA-N -2 0 368.751 0.765 20 0 FCADRL CC(C)CS(=O)(=O)Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001259884817 858300765 /nfs/dbraw/zinc/30/07/65/858300765.db2.gz NTXYFEXPKGSVOS-UHFFFAOYSA-N -2 0 373.430 0.578 20 0 FCADRL CN1c2ccc(S(=O)(=O)Nc3ccc(C(N)=O)c(O)c3)cc2CC1=O ZINC001260161562 858338447 /nfs/dbraw/zinc/33/84/47/858338447.db2.gz GWMLNPKKBDGXQJ-UHFFFAOYSA-N -2 0 361.379 0.811 20 0 FCADRL CCOC(=O)c1ccnnc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260393597 858366381 /nfs/dbraw/zinc/36/63/81/858366381.db2.gz PYSUSFMIUQPFGV-UHFFFAOYSA-N -2 0 367.339 0.858 20 0 FCADRL CS(=O)(=O)CS(=O)(=O)[N-]c1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001260584680 858387149 /nfs/dbraw/zinc/38/71/49/858387149.db2.gz SKQIAOZLIXLFLM-UHFFFAOYSA-N -2 0 353.180 0.977 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)N[C@@H](c2nc(=O)o[n-]2)C(C)(C)C)cc1=O ZINC001299827662 866197062 /nfs/dbraw/zinc/19/70/62/866197062.db2.gz QVVOAHPMHMXMBH-ZDUSSCGKSA-N -2 0 351.407 0.955 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)c1 ZINC001303596886 866442549 /nfs/dbraw/zinc/44/25/49/866442549.db2.gz RSHMXLBOTMPZMX-VDBVYFBLSA-N -2 0 363.443 0.797 20 0 FCADRL O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C[C@@H]1COC(=O)C1 ZINC001350353444 866574034 /nfs/dbraw/zinc/57/40/34/866574034.db2.gz HHGANIXWQXFTSO-VAOFZXAKSA-N -2 0 366.292 0.062 20 0 FCADRL COc1cc(F)cc(F)c1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] ZINC001320429342 868164992 /nfs/dbraw/zinc/16/49/92/868164992.db2.gz PGWVPBPKVOUTJB-MRVPVSSYSA-N -2 0 353.299 0.570 20 0 FCADRL COc1cc(F)cc(F)c1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-] ZINC001324191415 869502833 /nfs/dbraw/zinc/50/28/33/869502833.db2.gz HHBFPANKKPFEPE-LURJTMIESA-N -2 0 353.299 0.427 20 0 FCADRL COc1cc(F)cc(F)c1S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC001344056615 870724371 /nfs/dbraw/zinc/72/43/71/870724371.db2.gz NOSLPNOBZKOJKR-SECBINFHSA-N -2 0 367.326 0.960 20 0 FCADRL CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000323135355 970969325 /nfs/dbraw/zinc/96/93/25/970969325.db2.gz VCSSAWZAPBZDQS-ZETCQYMHSA-N -2 0 350.343 0.808 20 0 FCADRL CNC(=O)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c(C)c1 ZINC000324845316 971163328 /nfs/dbraw/zinc/16/33/28/971163328.db2.gz FYFLJIBUQPBARS-UHFFFAOYSA-N -2 0 352.372 0.437 20 0 FCADRL CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC001589602996 949203136 /nfs/dbraw/zinc/20/31/36/949203136.db2.gz DNGXZNAQRVWQCU-OAHLLOKOSA-N -2 0 356.400 0.757 20 0 FCADRL CCOCCO[N-]C(=O)[C@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001591976555 951248715 /nfs/dbraw/zinc/24/87/15/951248715.db2.gz CRFPXVMEIQGHND-HNNXBMFYSA-N -2 0 362.379 0.161 20 0 FCADRL O=C([O-])CN1CCCC[C@H](NS(=O)(=O)c2cc([O-])cc(F)c2)C1=O ZINC001595097150 951827622 /nfs/dbraw/zinc/82/76/22/951827622.db2.gz WCGNJYFVBADHPC-LBPRGKRZSA-N -2 0 360.363 0.275 20 0 FCADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C1 ZINC001589272656 953426729 /nfs/dbraw/zinc/42/67/29/953426729.db2.gz OIHPPCXFYUQFCC-MNOVXSKESA-N -2 0 370.427 0.825 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)oc1Cl ZINC001593875221 955658266 /nfs/dbraw/zinc/65/82/66/955658266.db2.gz BHILBRVQWRJMMF-NSHDSACASA-N -2 0 353.736 0.242 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCC[C@H](C)[C@H]3C(=O)[O-])cc2=O)n1 ZINC001594305923 957966856 /nfs/dbraw/zinc/96/68/56/957966856.db2.gz MNEVVIPBFULYOO-XPTSAGLGSA-N -2 0 359.386 0.898 20 0 FCADRL C[C@H](C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-])c1cnccn1 ZINC001573363645 958607572 /nfs/dbraw/zinc/60/75/72/958607572.db2.gz KULJIDPRTFMMII-NGZCFLSTSA-N -2 0 374.319 0.703 20 0 FCADRL CC(=O)N1CCc2cc([N-]S(=O)(=O)c3n[nH]cc3C(=O)[O-])ccc21 ZINC000391876806 972386295 /nfs/dbraw/zinc/38/62/95/972386295.db2.gz QOTUDOUZKZAYGT-UHFFFAOYSA-N -2 0 350.356 0.818 20 0 FCADRL COc1cccc(S([O-])=CC(=O)NC2(CC(=O)[O-])CCOCC2)c1 ZINC001574233007 960422313 /nfs/dbraw/zinc/42/23/13/960422313.db2.gz WDBMHPAHEBXKGJ-DEOSSOPVSA-N -2 0 355.412 0.943 20 0 FCADRL CC(C)[C@@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C(=O)[O-] ZINC001588829782 961691716 /nfs/dbraw/zinc/69/17/16/961691716.db2.gz UQGMLUPTLQHGMC-GFCCVEGCSA-N -2 0 358.416 0.729 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)COC(F)(F)F ZINC001574647436 962392417 /nfs/dbraw/zinc/39/24/17/962392417.db2.gz NZWLRGGJELLCPG-VDTYLAMSSA-N -2 0 366.214 0.646 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ncccc1F ZINC001574649198 962412334 /nfs/dbraw/zinc/41/23/34/962412334.db2.gz XXWRFLUTNDDHNZ-WPRPVWTQSA-N -2 0 363.267 0.957 20 0 FCADRL COc1cccc([C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)N(C)C)c1 ZINC000315835973 963941353 /nfs/dbraw/zinc/94/13/53/963941353.db2.gz VIZAXOJNKNHHTP-ZDUSSCGKSA-N -2 0 369.399 0.963 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1coc(CO)c1 ZINC001594888264 970272991 /nfs/dbraw/zinc/27/29/91/970272991.db2.gz BGGDOGGCVSKRCX-NXEZZACHSA-N -2 0 364.276 0.508 20 0 FCADRL CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])c1 ZINC000319942427 970592964 /nfs/dbraw/zinc/59/29/64/970592964.db2.gz GQSOAGPTDUYUMF-UHFFFAOYSA-N -2 0 363.348 0.451 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)c2cnc(C(=O)[O-])cn2)c(C)c1C ZINC001610346214 970729036 /nfs/dbraw/zinc/72/90/36/970729036.db2.gz NZCNYWAUPOMNSC-UHFFFAOYSA-N -2 0 365.367 0.919 20 0 FCADRL CC[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cnc(C(=O)[O-])cn2)C1=O ZINC001605149546 972831840 /nfs/dbraw/zinc/83/18/40/972831840.db2.gz KCJJOFYLEURAJL-KRWDZBQOSA-N -2 0 369.337 0.677 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3C[C@@H](C(=O)[O-])CC[C@H]3C)cc2=O)n1 ZINC001605158554 972853901 /nfs/dbraw/zinc/85/39/01/972853901.db2.gz XICHNFCMEPPWFE-NEPJUHHUSA-N -2 0 359.386 0.898 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cncs1 ZINC001605970975 972980226 /nfs/dbraw/zinc/98/02/26/972980226.db2.gz TXDWXXUQSDNEPL-POYBYMJQSA-N -2 0 351.306 0.879 20 0 FCADRL Cc1nnccc1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001605444748 973510292 /nfs/dbraw/zinc/51/02/92/973510292.db2.gz SWWMZPWFIQAXAY-VHSXEESVSA-N -2 0 360.292 0.521 20 0 FCADRL O=C([O-])Cc1noc(-c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])n1 ZINC001606325217 973743310 /nfs/dbraw/zinc/74/33/10/973743310.db2.gz MFWSPQIWTIYAAV-UHFFFAOYSA-N -2 0 353.356 0.854 20 0 FCADRL CC(C)OC[C@H](NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-])C(=O)[O-] ZINC001591730671 975697836 /nfs/dbraw/zinc/69/78/36/975697836.db2.gz FYQJMAWLMLHMQT-ZETCQYMHSA-N -2 0 366.779 0.590 20 0 FCADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)NC(=O)C1CCCC1 ZINC001592260060 977500529 /nfs/dbraw/zinc/50/05/29/977500529.db2.gz UXAFOSJIYSKAJQ-SECBINFHSA-N -2 0 372.399 0.868 20 0 FCADRL C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC001592405654 977976258 /nfs/dbraw/zinc/97/62/58/977976258.db2.gz BMXXLXJKWKPHMW-MEQVVJDKSA-N -2 0 357.384 0.631 20 0 FCADRL C[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C(=O)[O-] ZINC001592694748 979149678 /nfs/dbraw/zinc/14/96/78/979149678.db2.gz ZYHQOTMQXYGXSQ-SNVBAGLBSA-N -2 0 356.400 0.627 20 0 FCADRL C[C@@H](CO[N-]C(=O)CN1CCC[C@H](C(=O)[O-])C1=O)NC(=O)OC(C)(C)C ZINC001592780939 979412823 /nfs/dbraw/zinc/41/28/23/979412823.db2.gz QASIDGQKJARYBH-QWRGUYRKSA-N -2 0 373.406 0.271 20 0 FCADRL CCC(CC)S(=O)(=O)[N-]C(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001595121784 979496170 /nfs/dbraw/zinc/49/61/70/979496170.db2.gz VOHTZQKDVVPYPD-JTQLQIEISA-N -2 0 366.436 0.989 20 0 FCADRL C[C@H](NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593052701 980356982 /nfs/dbraw/zinc/35/69/82/980356982.db2.gz FPZVYQCDANBOPP-FTYKPCCVSA-N -2 0 356.419 0.989 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(OC)ccc2C(=O)[O-])C1=O ZINC001595371409 980850892 /nfs/dbraw/zinc/85/08/92/980850892.db2.gz CQBYCYRQWMSAFK-CQSZACIVSA-N -2 0 371.371 0.307 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])C1=O ZINC001595371539 980852497 /nfs/dbraw/zinc/85/24/97/980852497.db2.gz HDQTXHKDTGXRQE-ZDUSSCGKSA-N -2 0 359.335 0.438 20 0 FCADRL CCCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001595523978 981351601 /nfs/dbraw/zinc/35/16/01/981351601.db2.gz ZSNBDXOCIMRZKE-CYBMUJFWSA-N -2 0 368.411 0.981 20 0 FCADRL CCC[C@H](O)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F)C(=O)[O-] ZINC001595608609 981612584 /nfs/dbraw/zinc/61/25/84/981612584.db2.gz KYDNHZNPSPKQLQ-CABZTGNLSA-N -2 0 363.363 0.725 20 0 FCADRL CCC[C@H](O)[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1)C(=O)[O-] ZINC001595609146 981618165 /nfs/dbraw/zinc/61/81/65/981618165.db2.gz PPCTUHOJNPTQES-JQWIXIFHSA-N -2 0 361.372 0.286 20 0 FCADRL CCCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC ZINC001595859640 982791864 /nfs/dbraw/zinc/79/18/64/982791864.db2.gz OHHCEGHLIYCCOS-UHFFFAOYSA-N -2 0 365.385 0.718 20 0 FCADRL CCN(C1CCCCC1)S(=O)(=O)[N-]C(=O)c1cnc(C(=O)[O-])cn1 ZINC001596197488 983581649 /nfs/dbraw/zinc/58/16/49/983581649.db2.gz YDAPACJIGBEODB-UHFFFAOYSA-N -2 0 356.404 0.804 20 0 FCADRL CCN(CC(=O)[O-])S(=O)(=O)c1cc(/C=C\C(=O)[O-])cc(OC)c1OC ZINC001596227386 983619266 /nfs/dbraw/zinc/61/92/66/983619266.db2.gz ZVNXBSMROLKQNP-WAYWQWQTSA-N -2 0 373.383 0.897 20 0 FCADRL CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001596244214 983644056 /nfs/dbraw/zinc/64/40/56/983644056.db2.gz YLGYZJYZTHUCOM-UHFFFAOYSA-N -2 0 363.417 0.295 20 0 FCADRL CCOC(=O)[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccccc1 ZINC001596535615 984370167 /nfs/dbraw/zinc/37/01/67/984370167.db2.gz UVHKBAOUQBBTOY-LLVKDONJSA-N -2 0 368.367 0.998 20 0 FCADRL CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1 ZINC001596637668 984627402 /nfs/dbraw/zinc/62/74/02/984627402.db2.gz FUADAZOXVIIDSC-UHFFFAOYSA-N -2 0 368.371 0.649 20 0 FCADRL CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-])CC1 ZINC001596646073 984659918 /nfs/dbraw/zinc/65/99/18/984659918.db2.gz HRBHYDFARRTRJM-VIFPVBQESA-N -2 0 350.393 0.164 20 0 FCADRL CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001596646342 984660552 /nfs/dbraw/zinc/66/05/52/984660552.db2.gz KWLWHEDYRAZHKW-UHFFFAOYSA-N -2 0 374.371 0.658 20 0 FCADRL CCOC(=O)c1[n-]c(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)nc1Cl ZINC001596691651 984808195 /nfs/dbraw/zinc/80/81/95/984808195.db2.gz NRKKOJVWHXXJTN-SSDOTTSWSA-N -2 0 372.765 0.502 20 0 FCADRL CCOC(=O)c1c([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])ccn1C ZINC001596700041 984868779 /nfs/dbraw/zinc/86/87/79/984868779.db2.gz GZKMRXOIYWLAIJ-UHFFFAOYSA-N -2 0 356.360 0.732 20 0 FCADRL CCOC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])nc1 ZINC001596717925 984947187 /nfs/dbraw/zinc/94/71/87/984947187.db2.gz CGODIWQBETWCDB-RKDXNWHRSA-N -2 0 358.372 0.427 20 0 FCADRL CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1 ZINC001596732031 985006611 /nfs/dbraw/zinc/00/66/11/985006611.db2.gz SFXOXTOEFUZJRE-UHFFFAOYSA-N -2 0 353.356 0.945 20 0 FCADRL CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001589054275 985151375 /nfs/dbraw/zinc/15/13/75/985151375.db2.gz LALZFGFIOMEFTO-CQSZACIVSA-N -2 0 366.395 0.871 20 0 FCADRL CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC001589066979 985205775 /nfs/dbraw/zinc/20/57/75/985205775.db2.gz ZYIRNWBWCBOIAV-HYXAFXHYSA-N -2 0 370.383 0.448 20 0 FCADRL CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3nnc(CC(=O)[O-])[nH]3)ccc21 ZINC001589093647 985286574 /nfs/dbraw/zinc/28/65/74/985286574.db2.gz ZBWKBJPWZYBKIE-UHFFFAOYSA-N -2 0 365.371 0.142 20 0 FCADRL CC(=O)N[C@H](CCC(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001589115758 985369217 /nfs/dbraw/zinc/36/92/17/985369217.db2.gz UABFUCZPGUCMJL-LLVKDONJSA-N -2 0 360.388 0.724 20 0 FCADRL CCOCCN(C[C@H](C)C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001596924069 985998039 /nfs/dbraw/zinc/99/80/39/985998039.db2.gz FQWWOQLGKDSYDN-JTQLQIEISA-N -2 0 362.404 0.471 20 0 FCADRL CCOc1cc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)ccc1OCC(=O)[O-] ZINC001597005934 986334522 /nfs/dbraw/zinc/33/45/22/986334522.db2.gz RLURXLLLZRSYTE-UHFFFAOYSA-N -2 0 369.355 0.391 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001589452734 986850939 /nfs/dbraw/zinc/85/09/39/986850939.db2.gz MSPZWDQESKIYBV-DJLDLDEBSA-N -2 0 360.354 0.426 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(N2CCNC2=O)c1 ZINC001589453392 986861545 /nfs/dbraw/zinc/86/15/45/986861545.db2.gz FXPWZXTVPUSJAW-ZJUUUORDSA-N -2 0 369.399 0.385 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]C(=O)Cn2cc(C(=O)[O-])cn2)cc1 ZINC001597136441 986872030 /nfs/dbraw/zinc/87/20/30/986872030.db2.gz OECYHRIBRKNMCI-UHFFFAOYSA-N -2 0 353.356 0.485 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)C1CCCCC1 ZINC001589454214 986875115 /nfs/dbraw/zinc/87/51/15/986875115.db2.gz USMROKBHDIOXIZ-MNOVXSKESA-N -2 0 362.448 0.628 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)nc1 ZINC001589454631 986882973 /nfs/dbraw/zinc/88/29/73/986882973.db2.gz XAMVKPQUEWNSBG-UWVGGRQHSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(N2CCNC2=O)cc1 ZINC001589454809 986885674 /nfs/dbraw/zinc/88/56/74/986885674.db2.gz RJTCYNRITUHTOX-NXEZZACHSA-N -2 0 369.399 0.385 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC001589454883 986886467 /nfs/dbraw/zinc/88/64/67/986886467.db2.gz YAEUUNWVHMFCHY-ATZCPNFKSA-N -2 0 363.432 0.910 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC001589455055 986890035 /nfs/dbraw/zinc/89/00/35/986890035.db2.gz ZDWJIHKQOVNRCH-OIMNJJJWSA-N -2 0 371.411 0.698 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(NC(=O)N(C)C)c1 ZINC001589455357 986895662 /nfs/dbraw/zinc/89/56/62/986895662.db2.gz YRAUQGVATDIJLZ-NXEZZACHSA-N -2 0 371.415 0.949 20 0 FCADRL C[C@@H](C(=O)[O-])N(Cc1cccnc1)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001589487195 987045153 /nfs/dbraw/zinc/04/51/53/987045153.db2.gz UGTPJEMPFCJRQQ-QMMMGPOBSA-N -2 0 371.396 0.900 20 0 FCADRL CC(C)S(=O)(=O)c1cccc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c1 ZINC001589491307 987059302 /nfs/dbraw/zinc/05/93/02/987059302.db2.gz KFHYQYDSKJBNRM-SECBINFHSA-N -2 0 363.413 0.401 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001589492261 987062193 /nfs/dbraw/zinc/06/21/93/987062193.db2.gz RRJBXINMOWJYLR-IWSPIJDZSA-N -2 0 350.393 0.209 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCc1cc2ccccc2[nH]c1=O ZINC001589492885 987067134 /nfs/dbraw/zinc/06/71/34/987067134.db2.gz AESWSNVYCSSOGM-VIFPVBQESA-N -2 0 352.368 0.792 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001589494362 987070641 /nfs/dbraw/zinc/07/06/41/987070641.db2.gz IZHAAZSQLCLDRG-IUCAKERBSA-N -2 0 374.802 0.612 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC001589494778 987072333 /nfs/dbraw/zinc/07/23/33/987072333.db2.gz LMJPZJUIRCDSFV-JQWIXIFHSA-N -2 0 354.384 0.210 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1(NC(=O)OCc2ccccc2)CC1 ZINC001589496174 987076998 /nfs/dbraw/zinc/07/69/98/987076998.db2.gz VEFWCHTURGTEOL-JTQLQIEISA-N -2 0 370.383 0.365 20 0 FCADRL CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])cc1 ZINC001597229952 987181702 /nfs/dbraw/zinc/18/17/02/987181702.db2.gz QSWXABODOYTNAS-UHFFFAOYSA-N -2 0 373.387 0.299 20 0 FCADRL O=C([O-])[C@]1(NC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)CCOC1 ZINC001594723587 987219109 /nfs/dbraw/zinc/21/91/09/987219109.db2.gz HHTQQXUIIGMMAC-LBPRGKRZSA-N -2 0 350.249 0.432 20 0 FCADRL CC(C)(C)C(=O)NCCCC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001589692926 987762289 /nfs/dbraw/zinc/76/22/89/987762289.db2.gz QVNITTDGVXMVSS-UHFFFAOYSA-N -2 0 350.437 0.486 20 0 FCADRL CC(C)(C)C[C@H](O)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)[O-] ZINC001589757372 988074774 /nfs/dbraw/zinc/07/47/74/988074774.db2.gz VUTSBLXUKZARRM-WPRPVWTQSA-N -2 0 365.429 0.975 20 0 FCADRL CC(C)(C)C[C@H](O)[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])s1)C(=O)[O-] ZINC001589757428 988075247 /nfs/dbraw/zinc/07/52/47/988075247.db2.gz XMIRBRAZEZGVAO-XVKPBYJWSA-N -2 0 365.429 0.975 20 0 FCADRL CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)c1cccc(C(=O)[O-])c1 ZINC001590200796 989563383 /nfs/dbraw/zinc/56/33/83/989563383.db2.gz JUKDUILDBXUQNA-UHFFFAOYSA-N -2 0 372.399 0.969 20 0 FCADRL CC(C)(C)OC(=O)NC(C)(C)CCC(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001590656381 990354181 /nfs/dbraw/zinc/35/41/81/990354181.db2.gz RKCDXFHIBKHANV-UHFFFAOYSA-N -2 0 366.436 0.991 20 0 FCADRL CC(C)(CCNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)C(=O)[O-] ZINC001590670293 990368306 /nfs/dbraw/zinc/36/83/06/990368306.db2.gz DVEYETMCOYGAIQ-UHFFFAOYSA-N -2 0 354.363 0.258 20 0 FCADRL CC(C)(CCS(C)(=O)=O)NS(=O)(=O)c1scnc1C(=O)[O-] ZINC001590694658 990413849 /nfs/dbraw/zinc/41/38/49/990413849.db2.gz XSTLZCVMKLLNIO-UHFFFAOYSA-N -2 0 356.447 0.333 20 0 FCADRL CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])n2)cn1C ZINC001598150768 990627182 /nfs/dbraw/zinc/62/71/82/990627182.db2.gz CCEMYKMFSABLRN-UHFFFAOYSA-N -2 0 352.372 0.621 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001590840513 990707310 /nfs/dbraw/zinc/70/73/10/990707310.db2.gz OYRKEZGWLFNZRJ-SNVBAGLBSA-N -2 0 361.320 0.898 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC001599683446 990948902 /nfs/dbraw/zinc/94/89/02/990948902.db2.gz NPXVBHPACVGWMU-YEBMWUKDSA-N -2 0 351.384 0.338 20 0 FCADRL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC001590957351 991039625 /nfs/dbraw/zinc/03/96/25/991039625.db2.gz NLRFFVIYQJEATD-LBPRGKRZSA-N -2 0 367.387 0.068 20 0 FCADRL COc1ccccc1[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(=O)[O-] ZINC001599700660 991213883 /nfs/dbraw/zinc/21/38/83/991213883.db2.gz YFHUXDJNEIFFCX-ZDUSSCGKSA-N -2 0 366.351 0.893 20 0 FCADRL COc1ccccc1C[C@H](CNS(=O)(=O)C[C@H](C)C(=O)[O-])C(=O)[O-] ZINC001599706968 991307849 /nfs/dbraw/zinc/30/78/49/991307849.db2.gz GEZRBGJKNDOGCY-CMPLNLGQSA-N -2 0 359.400 0.579 20 0 FCADRL COc1ccccc1C[C@H](CNC(=O)c1c[n-]n2c1nccc2=O)C(=O)[O-] ZINC001599707306 991313056 /nfs/dbraw/zinc/31/30/56/991313056.db2.gz LTKROLGVENISTJ-GFCCVEGCSA-N -2 0 370.365 0.705 20 0 FCADRL COc1ccn2c(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cnc2c1 ZINC001599720259 991524434 /nfs/dbraw/zinc/52/44/34/991524434.db2.gz NFBAIHYQBJEHAX-UHFFFAOYSA-N -2 0 355.372 0.513 20 0 FCADRL CN(CCC(=O)[O-])C(=O)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001598469366 992000766 /nfs/dbraw/zinc/00/07/66/992000766.db2.gz CUOHQKCFLJGFOB-ZDUSSCGKSA-N -2 0 350.371 0.888 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N1CCc2ccc(C(=O)[O-])cc2CC1 ZINC001598470305 992015469 /nfs/dbraw/zinc/01/54/69/992015469.db2.gz GASXYRTWCIIWBY-UHFFFAOYSA-N -2 0 356.400 0.437 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc(C(=O)[O-])nc2)cn1 ZINC001599760363 992112959 /nfs/dbraw/zinc/11/29/59/992112959.db2.gz NAIZLPAILFPYHD-UHFFFAOYSA-N -2 0 350.356 0.476 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cn1 ZINC001599761419 992127468 /nfs/dbraw/zinc/12/74/68/992127468.db2.gz YZSMSKGLLPXFPK-ABAIWWIYSA-N -2 0 353.400 0.923 20 0 FCADRL CS(=O)(=O)[N-]c1nnc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)s1 ZINC001599762552 992141932 /nfs/dbraw/zinc/14/19/32/992141932.db2.gz REMWSNWVTCNKAE-UHFFFAOYSA-N -2 0 360.417 0.883 20 0 FCADRL CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001599762651 992143551 /nfs/dbraw/zinc/14/35/51/992143551.db2.gz WAGMRZCXVLARIM-JQWIXIFHSA-N -2 0 356.400 0.525 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001599772636 992263227 /nfs/dbraw/zinc/26/32/27/992263227.db2.gz GAPISLZGBJWJJW-UHFFFAOYSA-N -2 0 373.364 0.500 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)C23CC(C(=O)[O-])(C2)C3)cc1 ZINC001599772822 992265877 /nfs/dbraw/zinc/26/58/77/992265877.db2.gz MVDKANRLKVJLNM-UHFFFAOYSA-N -2 0 373.408 0.150 20 0 FCADRL CC(C)CN1N=C(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])CCC1=O ZINC001591367273 992389980 /nfs/dbraw/zinc/38/99/80/992389980.db2.gz TWDPMNOLBJQFHL-UHFFFAOYSA-N -2 0 361.420 0.178 20 0 FCADRL CC(C)C[C@@H](NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1)C(=O)[O-] ZINC001591441614 992535654 /nfs/dbraw/zinc/53/56/54/992535654.db2.gz DBEWWLGLERZEQZ-GFCCVEGCSA-N -2 0 352.343 0.704 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)N2[C@@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)cc1=O ZINC001591498041 992636938 /nfs/dbraw/zinc/63/69/38/992636938.db2.gz QQSGYKUCJPQGOI-RZFFKMDDSA-N -2 0 365.430 0.997 20 0 FCADRL CN1C(=O)COc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])nc3)ccc21 ZINC001598553770 993032567 /nfs/dbraw/zinc/03/25/67/993032567.db2.gz WSIPJVPIJZGSLH-UHFFFAOYSA-N -2 0 363.351 0.936 20 0 FCADRL C[C@@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)c1nn(C)cc1[O-] ZINC001593139354 993915694 /nfs/dbraw/zinc/91/56/94/993915694.db2.gz XIRIYAYMKACNKR-BDAKNGLRSA-N -2 0 356.379 0.671 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@@H]2CC=C(C(=O)[O-])C2)c(OC)c1C(=O)[O-] ZINC001599614466 993996145 /nfs/dbraw/zinc/99/61/45/993996145.db2.gz PMLUKZBLSVGKPF-SECBINFHSA-N -2 0 371.367 0.854 20 0 FCADRL C[C@@H](NC(=O)c1ccc(F)cc1[N-]S(=O)(=O)C[C@H]1CCCO1)C(=O)[O-] ZINC001593168605 994015439 /nfs/dbraw/zinc/01/54/39/994015439.db2.gz PKQBNUXTTUOUCD-MWLCHTKSSA-N -2 0 374.390 0.949 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])n2)cc1C(N)=O ZINC001599617690 994038547 /nfs/dbraw/zinc/03/85/47/994038547.db2.gz OLOMMUDPKHPOHN-UHFFFAOYSA-N -2 0 365.367 0.617 20 0 FCADRL COc1ccc2c(c1)C[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])CO2 ZINC001599626585 994157785 /nfs/dbraw/zinc/15/77/85/994157785.db2.gz YAQAVNMLORLLNK-LLVKDONJSA-N -2 0 371.411 0.803 20 0 FCADRL COc1cccc(-c2nc(C)c(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])[nH]2)c1 ZINC001599639946 994343637 /nfs/dbraw/zinc/34/36/37/994343637.db2.gz DKTFKGJTDKDGGA-SECBINFHSA-N -2 0 367.383 0.926 20 0 FCADRL CNC(=O)COc1cccc(OS(=O)(=O)c2cc(C(=O)[O-])n[n-]2)c1 ZINC001598647490 994394242 /nfs/dbraw/zinc/39/42/42/994394242.db2.gz LNKHZDHTKUQRCE-UHFFFAOYSA-N -2 0 355.328 0.000 20 0 FCADRL COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccccc1C(=O)[O-] ZINC001598689822 995046783 /nfs/dbraw/zinc/04/67/83/995046783.db2.gz SBRJVSWJUTZLQK-UWVGGRQHSA-N -2 0 357.384 0.571 20 0 FCADRL COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001598692999 995093633 /nfs/dbraw/zinc/09/36/33/995093633.db2.gz BATAGJMGQRSCNV-SNVBAGLBSA-N -2 0 367.745 0.977 20 0 FCADRL COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001598694253 995111384 /nfs/dbraw/zinc/11/13/84/995111384.db2.gz JWEDCHTVOYIMBL-SNVBAGLBSA-N -2 0 351.290 0.463 20 0 FCADRL COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC001598695434 995129255 /nfs/dbraw/zinc/12/92/55/995129255.db2.gz UQMRJBWWJNFTAG-SECBINFHSA-N -2 0 359.356 0.296 20 0 FCADRL COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cc(F)c(C)c(C(=O)[O-])c1 ZINC001598695618 995132848 /nfs/dbraw/zinc/13/28/48/995132848.db2.gz XHVMEJHSSPOSHC-JTQLQIEISA-N -2 0 363.319 0.127 20 0 FCADRL C[C@@](O)(CNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)C(=O)[O-] ZINC001593417356 995204747 /nfs/dbraw/zinc/20/47/47/995204747.db2.gz SSTUJYZTBFIPSY-LLVKDONJSA-N -2 0 372.182 0.806 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])c1ccccc1F ZINC001598711107 995350186 /nfs/dbraw/zinc/35/01/86/995350186.db2.gz XXWMMWFNSYZMRQ-JTQLQIEISA-N -2 0 357.319 0.440 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])c1ccsc1 ZINC001598711498 995354427 /nfs/dbraw/zinc/35/44/27/995354427.db2.gz ZYCHNDNQQFERRP-VIFPVBQESA-N -2 0 359.385 0.670 20 0 FCADRL COC(=O)/C=C/c1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])o1 ZINC001598829471 996420436 /nfs/dbraw/zinc/42/04/36/996420436.db2.gz DCOLSQUYJCEKCB-LKJMDQPVSA-N -2 0 359.356 0.635 20 0 FCADRL CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CC1 ZINC001593782892 996491505 /nfs/dbraw/zinc/49/15/05/996491505.db2.gz GQNMLNMHSYDTPN-NSHDSACASA-N -2 0 352.387 0.413 20 0 FCADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC001593783055 996492121 /nfs/dbraw/zinc/49/21/21/996492121.db2.gz INXNJGFOJMYYHI-DIFFPNOSSA-N -2 0 354.403 0.659 20 0 FCADRL C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)C1 ZINC001593783608 996496810 /nfs/dbraw/zinc/49/68/10/996496810.db2.gz QLEHGLAKTDJINR-OAHLLOKOSA-N -2 0 356.281 0.925 20 0 FCADRL C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)C1 ZINC001593784260 996502094 /nfs/dbraw/zinc/50/20/94/996502094.db2.gz IRWKFOKWVNFHOX-INIZCTEOSA-N -2 0 350.327 0.412 20 0 FCADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC001599382099 996873709 /nfs/dbraw/zinc/87/37/09/996873709.db2.gz KEQBTRGUPRDHIV-BMIGLBTASA-N -2 0 373.383 0.646 20 0 FCADRL CC1(C)CN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)[C@@H](C(=O)[O-])CO1 ZINC001593946468 996994983 /nfs/dbraw/zinc/99/49/83/996994983.db2.gz HBGVZGYNNOIKKI-LLVKDONJSA-N -2 0 361.347 0.777 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)[O-] ZINC001599501563 997131959 /nfs/dbraw/zinc/13/19/59/997131959.db2.gz OIUHITAJAXLORO-JTQLQIEISA-N -2 0 373.383 0.646 20 0 FCADRL COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC001599194222 997184942 /nfs/dbraw/zinc/18/49/42/997184942.db2.gz INBFQFDTEHOVRF-CQSZACIVSA-N -2 0 361.347 0.636 20 0 FCADRL COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)C1 ZINC001599194665 997192741 /nfs/dbraw/zinc/19/27/41/997192741.db2.gz MCPOEFNNWOIYAK-HNNXBMFYSA-N -2 0 373.383 0.505 20 0 FCADRL COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC001599196409 997224957 /nfs/dbraw/zinc/22/49/57/997224957.db2.gz YHVNXHZTLPPIOU-HNNXBMFYSA-N -2 0 357.384 0.638 20 0 FCADRL COC(=O)c1c(C)nn(C)c1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC001598911345 997376211 /nfs/dbraw/zinc/37/62/11/997376211.db2.gz FGHXVUWTTXIMCL-UHFFFAOYSA-N -2 0 367.383 0.943 20 0 FCADRL COC(=O)c1c(NC(=O)c2cccc(CC(=O)[O-])c2)n[n-]c1OCCO ZINC001598916985 997490170 /nfs/dbraw/zinc/49/01/70/997490170.db2.gz XFBSESBMJWMMEL-UHFFFAOYSA-N -2 0 363.326 0.447 20 0 FCADRL COCC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)C(=O)[O-] ZINC001599219707 997645571 /nfs/dbraw/zinc/64/55/71/997645571.db2.gz YKQGMAFTNYRGFN-JTQLQIEISA-N -2 0 351.764 0.806 20 0 FCADRL COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC001598927219 997671490 /nfs/dbraw/zinc/67/14/90/997671490.db2.gz BZBZOCVFFKQVPM-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)C1 ZINC001594051333 997741882 /nfs/dbraw/zinc/74/18/82/997741882.db2.gz CZQHRQAQHASYNN-SNVBAGLBSA-N -2 0 358.338 0.324 20 0 FCADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001599330625 997742424 /nfs/dbraw/zinc/74/24/24/997742424.db2.gz XBTMFXRUCNKAEO-GFCCVEGCSA-N -2 0 367.763 0.161 20 0 FCADRL CC(C)(C)OC(=O)N1CC(C)([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001594061041 997844255 /nfs/dbraw/zinc/84/42/55/997844255.db2.gz DHIZHTRUORNPCN-UHFFFAOYSA-N -2 0 361.376 0.661 20 0 FCADRL COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC(F)(F)C(=O)[O-])c1F ZINC001598936445 997876004 /nfs/dbraw/zinc/87/60/04/997876004.db2.gz IMCDBSMDIOEZNC-UHFFFAOYSA-N -2 0 359.253 0.750 20 0 FCADRL COC(=O)c1cc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])c(C)cc1C ZINC001598937310 997894506 /nfs/dbraw/zinc/89/45/06/997894506.db2.gz QIYFOUSBRQYNIN-UHFFFAOYSA-N -2 0 352.343 0.941 20 0 FCADRL C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2csc(C(=O)[O-])n2)C1=O ZINC001594079330 997965980 /nfs/dbraw/zinc/96/59/80/997965980.db2.gz UPUJMOZDWOXLFD-HNNXBMFYSA-N -2 0 360.351 0.953 20 0 FCADRL CO[C@@H]1CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)[C@@](C)(C(=O)[O-])C1 ZINC001599132776 997981024 /nfs/dbraw/zinc/98/10/24/997981024.db2.gz ZUNOHRKRTSSFOD-ZKANADHPSA-N -2 0 362.342 0.449 20 0 FCADRL CO[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)[C@@](C)(C(=O)[O-])C1 ZINC001599136314 998049869 /nfs/dbraw/zinc/04/98/69/998049869.db2.gz DRFCYMYZTNVTPN-XLKFXECMSA-N -2 0 361.347 0.777 20 0 FCADRL CO[C@@H]1CN(S(=O)(=O)c2cccc(C)c2C(=O)[O-])[C@@](C)(C(=O)[O-])C1 ZINC001599136599 998054514 /nfs/dbraw/zinc/05/45/14/998054514.db2.gz LSEQGLVKZDMJDM-ZUZCIYMTSA-N -2 0 357.384 0.946 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2F)on1 ZINC001598950819 998148475 /nfs/dbraw/zinc/14/84/75/998148475.db2.gz HCDJQNSDWJTJKH-NSHDSACASA-N -2 0 358.303 0.705 20 0 FCADRL COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001599366940 998348788 /nfs/dbraw/zinc/34/87/88/998348788.db2.gz GBUZUMHRCVEHHM-KOLCDFICSA-N -2 0 364.354 0.901 20 0 FCADRL COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC001599367422 998357082 /nfs/dbraw/zinc/35/70/82/998357082.db2.gz LPXBYEZDJOPSQL-GXSJLCMTSA-N -2 0 364.354 0.901 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-])c1 ZINC001598962534 998359808 /nfs/dbraw/zinc/35/98/08/998359808.db2.gz HNSDJJSLWCLEOX-MRVPVSSYSA-N -2 0 359.356 0.513 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])C1CCC1 ZINC001598969741 998491740 /nfs/dbraw/zinc/49/17/40/998491740.db2.gz YHIKPEVAABHSJW-UHFFFAOYSA-N -2 0 371.367 0.799 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C(=O)[O-])C(C)C ZINC001598970217 998501895 /nfs/dbraw/zinc/50/18/95/998501895.db2.gz HJCJRYNXWGWRJN-NSHDSACASA-N -2 0 373.383 0.807 20 0 FCADRL COCCn1cc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c(C)n1 ZINC001599271335 998549939 /nfs/dbraw/zinc/54/99/39/998549939.db2.gz JVYUAJIIJCWBIP-UHFFFAOYSA-N -2 0 373.412 0.716 20 0 FCADRL COc1ccc(C(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1 ZINC001599478108 998565248 /nfs/dbraw/zinc/56/52/48/998565248.db2.gz HGCWFKRJGUXKPX-UWVGGRQHSA-N -2 0 357.384 0.823 20 0 FCADRL COC(=O)c1ccc(NC(=O)NCCCc2c[nH][nH]c2=O)cc1C(=O)[O-] ZINC001598980989 998657278 /nfs/dbraw/zinc/65/72/78/998657278.db2.gz WDHRRTOPUNWTQU-SECBINFHSA-N -2 0 362.342 0.805 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2C)cc1 ZINC001598990351 998731380 /nfs/dbraw/zinc/73/13/80/998731380.db2.gz FDJBIVFPIRATNN-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)C1 ZINC001594211089 998821423 /nfs/dbraw/zinc/82/14/23/998821423.db2.gz YTYQZVKPCSPPLV-FRRDWIJNSA-N -2 0 368.430 0.905 20 0 FCADRL COC(=O)c1sc(S(=O)(=O)NC2(C(=O)[O-])CC2)c(C(=O)[O-])c1C ZINC001599022640 998993233 /nfs/dbraw/zinc/99/32/33/998993233.db2.gz PMWWACHVEJMVLP-UHFFFAOYSA-N -2 0 363.369 0.437 20 0 FCADRL CO[C@H](C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)[O-])C1CC1 ZINC001599044024 999138299 /nfs/dbraw/zinc/13/82/99/999138299.db2.gz PTTNLBSLYBCWHG-CMPLNLGQSA-N -2 0 360.388 0.270 20 0 FCADRL CO[C@@H](CS(=O)(=O)[N-]c1nc(CC(=O)[O-])cs1)C1CCOCC1 ZINC001599059914 999257644 /nfs/dbraw/zinc/25/76/44/999257644.db2.gz QKZMQRFFVCNPGU-NSHDSACASA-N -2 0 364.445 0.954 20 0 FCADRL C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])[C@H](C(=O)[O-])C1 ZINC001594410417 999531592 /nfs/dbraw/zinc/53/15/92/999531592.db2.gz OXTFUYFBCGTMIJ-MFKMUULPSA-N -2 0 370.427 0.968 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCOCc2ccccc2)C1 ZINC000296913608 214369987 /nfs/dbraw/zinc/36/99/87/214369987.db2.gz KDSZTSPKKJXHSH-MRXNPFEDSA-N -2 0 371.411 0.784 20 0 FCADRL CCOC(=O)c1ccc(F)c(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1 ZINC000285309024 213321126 /nfs/dbraw/zinc/32/11/26/213321126.db2.gz YVHVABBQDGAXQC-UHFFFAOYSA-N -2 0 363.319 0.162 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)[O-] ZINC000262470916 209593597 /nfs/dbraw/zinc/59/35/97/209593597.db2.gz OTNMJEPSZSDPKO-MRVPVSSYSA-N -2 0 350.418 0.955 20 0 FCADRL COc1cc(Cl)c(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1OC ZINC000280352573 212630195 /nfs/dbraw/zinc/63/01/95/212630195.db2.gz BCNCVPTXJDNZJX-ZETCQYMHSA-N -2 0 367.763 0.563 20 0 FCADRL Cc1cc(Br)cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000277191602 212338867 /nfs/dbraw/zinc/33/88/67/212338867.db2.gz DHITXRRGUDSVHZ-VIFPVBQESA-N -2 0 366.189 0.964 20 0 FCADRL CCOC(=O)c1ccc(C)c(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000276632623 212267382 /nfs/dbraw/zinc/26/73/82/212267382.db2.gz WKDLCBIBOWGHBN-SNVBAGLBSA-N -2 0 359.356 0.378 20 0 FCADRL CC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000276290372 212205782 /nfs/dbraw/zinc/20/57/82/212205782.db2.gz TXOZBQKKBVRKND-CQSZACIVSA-N -2 0 368.371 0.454 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cn3c(n2)CCCC3)C[C@H]1C(=O)[O-] ZINC000372260962 216857881 /nfs/dbraw/zinc/85/78/81/216857881.db2.gz KQBKNEHCKQUZAN-NXEZZACHSA-N -2 0 357.388 0.015 20 0 FCADRL COC(=O)c1coc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)c1 ZINC000275151586 211971010 /nfs/dbraw/zinc/97/10/10/211971010.db2.gz RRFJDEMMWPJEQO-CYBMUJFWSA-N -2 0 361.328 0.006 20 0 FCADRL CC(C)Cn1cnc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)c1 ZINC000275124052 211966986 /nfs/dbraw/zinc/96/69/86/211966986.db2.gz OHQOYWRSCITDFW-AWEZNQCLSA-N -2 0 359.404 0.479 20 0 FCADRL COc1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1Cl ZINC000275048302 211953775 /nfs/dbraw/zinc/95/37/75/211953775.db2.gz WOPYWAMLEJWFHB-SSDOTTSWSA-N -2 0 351.764 0.802 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1F ZINC000275084456 211959846 /nfs/dbraw/zinc/95/98/46/211959846.db2.gz JENHZRDPZYOJMW-VHSXEESVSA-N -2 0 361.347 0.630 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1Cl ZINC000274979128 211942343 /nfs/dbraw/zinc/94/23/43/211942343.db2.gz XKEHSDHLYOSZCQ-SNVBAGLBSA-N -2 0 364.763 0.505 20 0 FCADRL CSc1nc(=NC(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)s[n-]1 ZINC000417761981 245720982 /nfs/dbraw/zinc/72/09/82/245720982.db2.gz LBCUCKRNTMXXLQ-SFYZADRCSA-N -2 0 373.460 0.514 20 0 FCADRL NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000436769068 248049619 /nfs/dbraw/zinc/04/96/19/248049619.db2.gz JGQMJVVUKWGVEG-UHFFFAOYSA-N -2 0 372.380 0.539 20 0 FCADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1O ZINC000436993808 248056614 /nfs/dbraw/zinc/05/66/14/248056614.db2.gz HOGUISJAPKWABV-UHFFFAOYSA-N -2 0 362.319 0.775 20 0 FCADRL CCn1nccc1S(=O)(=O)[N-]c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000471938437 250124391 /nfs/dbraw/zinc/12/43/91/250124391.db2.gz BSEKSIGXGBNWFZ-UHFFFAOYSA-N -2 0 366.399 0.908 20 0 FCADRL COc1cc(C)c(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1Cl ZINC000278827863 488898306 /nfs/dbraw/zinc/89/83/06/488898306.db2.gz YKOWYAKBOILYJQ-QMMMGPOBSA-N -2 0 351.764 0.863 20 0 FCADRL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)ccc1C ZINC000323836535 488903755 /nfs/dbraw/zinc/90/37/55/488903755.db2.gz ATUZTSJOCKEVPV-UHFFFAOYSA-N -2 0 373.412 0.730 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cn1 ZINC000324457313 488906005 /nfs/dbraw/zinc/90/60/05/488906005.db2.gz HVXUQVGMGATUBN-UHFFFAOYSA-N -2 0 352.372 0.437 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1 ZINC000327102568 488918036 /nfs/dbraw/zinc/91/80/36/488918036.db2.gz XRWQMQLJIAUMTN-CHWSQXEVSA-N -2 0 370.383 0.441 20 0 FCADRL CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000262924606 488599589 /nfs/dbraw/zinc/59/95/89/488599589.db2.gz VXVFCWDPZDFCQC-CYBMUJFWSA-N -2 0 356.400 0.764 20 0 FCADRL CC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1 ZINC000274949544 488746826 /nfs/dbraw/zinc/74/68/26/488746826.db2.gz AFAPGCRBENHMNG-OLZOCXBDSA-N -2 0 355.368 0.685 20 0 FCADRL C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C3)ccc2O1 ZINC000274949335 488746981 /nfs/dbraw/zinc/74/69/81/488746981.db2.gz ADNIUBQNFVVPEA-JIMOISOXSA-N -2 0 369.395 0.806 20 0 FCADRL CC[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(=O)[O-] ZINC000274956580 488747769 /nfs/dbraw/zinc/74/77/69/488747769.db2.gz UJQLLFLMUIQNTO-YFKPBYRVSA-N -2 0 361.850 0.947 20 0 FCADRL COc1cc(F)c(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1OC ZINC000274974454 488749791 /nfs/dbraw/zinc/74/97/91/488749791.db2.gz WTQDXLZMQOBIJY-ZETCQYMHSA-N -2 0 351.308 0.049 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1c(Cl)ccnc1Cl)C(=O)[O-] ZINC000275015619 488753579 /nfs/dbraw/zinc/75/35/79/488753579.db2.gz QUXXJZDATKFIIO-RXMQYKEDSA-N -2 0 357.171 0.842 20 0 FCADRL COc1ccc(Cl)c(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000275022331 488753750 /nfs/dbraw/zinc/75/37/50/488753750.db2.gz SBMNZVRWUWEICI-ZETCQYMHSA-N -2 0 351.764 0.802 20 0 FCADRL C[C@@H](CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)CC(=O)[O-] ZINC000275018811 488753828 /nfs/dbraw/zinc/75/38/28/488753828.db2.gz OJOGVJLYWCOISB-ZETCQYMHSA-N -2 0 356.360 0.215 20 0 FCADRL Cc1c(Br)cccc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-] ZINC000275048309 488756220 /nfs/dbraw/zinc/75/62/20/488756220.db2.gz WOVPTOGMFJFJAC-UHFFFAOYSA-N -2 0 366.189 0.917 20 0 FCADRL CCOC(=O)c1cccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000275065495 488758471 /nfs/dbraw/zinc/75/84/71/488758471.db2.gz ZSZQRKJVMRNYKT-SNVBAGLBSA-N -2 0 359.356 0.317 20 0 FCADRL C[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000275076423 488759128 /nfs/dbraw/zinc/75/91/28/488759128.db2.gz HWMXEIIGNSBNJW-CQSZACIVSA-N -2 0 368.371 0.311 20 0 FCADRL CC(=O)Nc1cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])ccc1F ZINC000275141129 488765470 /nfs/dbraw/zinc/76/54/70/488765470.db2.gz WWQNXLHCOQCUJC-JTQLQIEISA-N -2 0 362.335 0.380 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)C[C@H]1C(=O)[O-] ZINC000275143312 488765839 /nfs/dbraw/zinc/76/58/39/488765839.db2.gz QNALHACTGGJLJW-VHSXEESVSA-N -2 0 362.791 0.672 20 0 FCADRL CCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cn1 ZINC000275213441 488773289 /nfs/dbraw/zinc/77/32/89/488773289.db2.gz ZZMNODXXHLBTIZ-GHMZBOCLSA-N -2 0 358.372 0.276 20 0 FCADRL C[C@](O)(CNS(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161818005 488798933 /nfs/dbraw/zinc/79/89/33/488798933.db2.gz DBLXXXDPEQLTCM-JTQLQIEISA-N -2 0 356.169 0.702 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC000170307846 488813410 /nfs/dbraw/zinc/81/34/10/488813410.db2.gz IMKROKQQBOPBFA-AWEZNQCLSA-N -2 0 358.372 0.489 20 0 FCADRL COC(=O)c1sccc1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000280748663 489029196 /nfs/dbraw/zinc/02/91/96/489029196.db2.gz KRWTVFOSEDDIID-LURJTMIESA-N -2 0 351.358 0.131 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccc3nsnc32)C[C@@H]1C(=O)[O-] ZINC000281168346 489057881 /nfs/dbraw/zinc/05/78/81/489057881.db2.gz BVSWMLJNWDICCB-SFYZADRCSA-N -2 0 371.396 0.487 20 0 FCADRL COC(=O)c1cc(Br)c(S(=O)(=O)[N-]CC(=O)[O-])s1 ZINC000289514260 489073295 /nfs/dbraw/zinc/07/32/95/489073295.db2.gz BACBXNNRXZRLBD-UHFFFAOYSA-N -2 0 358.191 0.660 20 0 FCADRL CC(=O)c1ccc([O-])c([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)c1 ZINC000290446175 489141305 /nfs/dbraw/zinc/14/13/05/489141305.db2.gz CNXOYUSIPIDOTJ-UHFFFAOYSA-N -2 0 364.445 0.618 20 0 FCADRL CNS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000290476486 489143475 /nfs/dbraw/zinc/14/34/75/489143475.db2.gz HHNKZCRLDXEBSS-VIFPVBQESA-N -2 0 350.418 0.221 20 0 FCADRL COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000298860615 489374742 /nfs/dbraw/zinc/37/47/42/489374742.db2.gz OWVZMTYTBSBXBS-LURJTMIESA-N -2 0 366.189 0.987 20 0 FCADRL CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC000299662987 489468671 /nfs/dbraw/zinc/46/86/71/489468671.db2.gz ZZNMKNYGYRBNCY-UHFFFAOYSA-N -2 0 358.401 0.532 20 0 FCADRL COC[C@H](C)n1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)n1 ZINC000426390158 489565757 /nfs/dbraw/zinc/56/57/57/489565757.db2.gz HTISTYDXNSGTKE-VIFPVBQESA-N -2 0 358.358 1.401 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000489722862 489726479 /nfs/dbraw/zinc/72/64/79/489726479.db2.gz TYHASKKTECGYAC-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cn1 ZINC000475808942 489850451 /nfs/dbraw/zinc/85/04/51/489850451.db2.gz FDUZAZPLKURJDJ-UHFFFAOYSA-N -2 0 356.381 0.984 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cn1 ZINC000436726564 490011295 /nfs/dbraw/zinc/01/12/95/490011295.db2.gz VZZMOLDGPLQJIP-UHFFFAOYSA-N -2 0 368.371 0.142 20 0 FCADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(C(N)=O)nc2)c1 ZINC000436732472 490011664 /nfs/dbraw/zinc/01/16/64/490011664.db2.gz UJGWZQBKKQMRQI-UHFFFAOYSA-N -2 0 351.340 0.694 20 0 FCADRL CC[C@H](CS(=O)(=O)[N-]c1cc(S(=O)(=O)NC)ccc1[O-])OC ZINC000421164287 490050483 /nfs/dbraw/zinc/05/04/83/490050483.db2.gz KHWIZAYRBFHQAT-SECBINFHSA-N -2 0 352.434 0.467 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)N2CCc3ccccc3C2)C[C@H]1C(=O)[O-] ZINC000392704476 490153985 /nfs/dbraw/zinc/15/39/85/490153985.db2.gz JMLSYXSLBITJQD-ZIAGYGMSSA-N -2 0 368.411 0.397 20 0 FCADRL C[C@@](CNS(=O)(=O)Cc1ccc(F)cc1F)(CC(=O)[O-])C(=O)[O-] ZINC000547614750 490330982 /nfs/dbraw/zinc/33/09/82/490330982.db2.gz GNLCEOIXVISXEA-ZDUSSCGKSA-N -2 0 351.327 0.950 20 0 FCADRL O=C([O-])[C@@H](O)C[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000547887369 490378311 /nfs/dbraw/zinc/37/83/11/490378311.db2.gz RSVWBGFYJJOUBS-ZETCQYMHSA-N -2 0 360.132 0.451 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2F)C[C@H]1C(=O)[O-] ZINC000547918965 490385776 /nfs/dbraw/zinc/38/57/76/490385776.db2.gz SLDQPYMRNNPADD-WDEREUQCSA-N -2 0 363.338 0.902 20 0 FCADRL CN(Cc1c(F)cccc1Cl)S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-] ZINC000548206700 490439188 /nfs/dbraw/zinc/43/91/88/490439188.db2.gz BBZZGHXXNUHYSJ-UHFFFAOYSA-N -2 0 368.770 0.627 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1cnn(-c2ccccc2F)c1)C(=O)[O-] ZINC000548222395 490443746 /nfs/dbraw/zinc/44/37/46/490443746.db2.gz LZANXHQBDUFBCP-VIFPVBQESA-N -2 0 371.346 0.465 20 0 FCADRL CC(=O)c1cccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)c1 ZINC000548247691 490449001 /nfs/dbraw/zinc/44/90/01/490449001.db2.gz TUYHPKCYNWBLLL-HNNXBMFYSA-N -2 0 355.368 0.829 20 0 FCADRL C[C@](CNS(=O)(=O)N1CC[C@@H]2CCCC[C@H]2C1)(CC(=O)[O-])C(=O)[O-] ZINC000548259515 490452724 /nfs/dbraw/zinc/45/27/24/490452724.db2.gz CDACVEQZEIABIP-SLEUVZQESA-N -2 0 362.448 0.899 20 0 FCADRL COC(=O)c1sccc1S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000548266121 490454001 /nfs/dbraw/zinc/45/40/01/490454001.db2.gz PZZYOACCXMUHLI-GFCCVEGCSA-N -2 0 365.385 0.379 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1)C(=O)[O-] ZINC000548539117 490501772 /nfs/dbraw/zinc/50/17/72/490501772.db2.gz PLHCBCHWCDWZFI-ZETCQYMHSA-N -2 0 372.277 0.229 20 0 FCADRL COCCOc1ccccc1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000548549950 490504048 /nfs/dbraw/zinc/50/40/48/490504048.db2.gz BLVGFOSYPUATMB-SNVBAGLBSA-N -2 0 361.372 0.166 20 0 FCADRL COCCOc1ccccc1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-] ZINC000548549946 490504065 /nfs/dbraw/zinc/50/40/65/490504065.db2.gz BLVGFOSYPUATMB-JTQLQIEISA-N -2 0 361.372 0.166 20 0 FCADRL C[C@](CNS(=O)(=O)N1CCc2ccccc2C1)(CC(=O)[O-])C(=O)[O-] ZINC000548590204 490513229 /nfs/dbraw/zinc/51/32/29/490513229.db2.gz HPMKZHCZJBMMOT-OAHLLOKOSA-N -2 0 356.400 0.445 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c(C)c1 ZINC000548588534 490513464 /nfs/dbraw/zinc/51/34/64/490513464.db2.gz PQPPBLQUZQNLTC-OAHLLOKOSA-N -2 0 373.383 0.626 20 0 FCADRL CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1cnc([O-])n(C)c1=O ZINC000485381726 490527052 /nfs/dbraw/zinc/52/70/52/490527052.db2.gz JZIWPDFPOPZTTC-UHFFFAOYSA-N -2 0 365.342 0.456 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F)o1 ZINC000556777348 491336257 /nfs/dbraw/zinc/33/62/57/491336257.db2.gz DGZONFZIKNOISQ-ZCFIWIBFSA-N -2 0 359.278 0.998 20 0 FCADRL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cn1 ZINC000501270260 490593333 /nfs/dbraw/zinc/59/33/33/490593333.db2.gz IQGDDEABFROFJC-UHFFFAOYSA-N -2 0 351.340 0.445 20 0 FCADRL NC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)n1 ZINC000511496673 490599494 /nfs/dbraw/zinc/59/94/94/490599494.db2.gz CYSRJGRCPVREBP-UHFFFAOYSA-N -2 0 352.372 0.186 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)c(C)c1C(=O)[O-] ZINC000512746231 490696201 /nfs/dbraw/zinc/69/62/01/490696201.db2.gz DOKUKQUTFAXRAY-UHFFFAOYSA-N -2 0 352.372 0.484 20 0 FCADRL COC(=O)COc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1 ZINC000538093473 490710115 /nfs/dbraw/zinc/71/01/15/490710115.db2.gz CQDIAQNGNKFWQP-UHFFFAOYSA-N -2 0 369.355 0.471 20 0 FCADRL COCCOc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1 ZINC000538742685 490747345 /nfs/dbraw/zinc/74/73/45/490747345.db2.gz LGUOEOGJIYBBQZ-UHFFFAOYSA-N -2 0 355.372 0.944 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1C(=O)[O-] ZINC000540294150 490814135 /nfs/dbraw/zinc/81/41/35/490814135.db2.gz FWISZFUZTSQIIU-UHFFFAOYSA-N -2 0 352.328 0.364 20 0 FCADRL COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000572819732 491395464 /nfs/dbraw/zinc/39/54/64/491395464.db2.gz CKAQHJPEGLJKNT-GMTAPVOTSA-N -2 0 365.404 0.346 20 0 FCADRL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c(C(N)=O)n1 ZINC000576227595 491594757 /nfs/dbraw/zinc/59/47/57/491594757.db2.gz IPDOSTKZWWYUSN-UHFFFAOYSA-N -2 0 358.401 0.871 20 0 FCADRL COc1cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])cc([N-]S(C)(=O)=O)c1OC ZINC000577849987 491656942 /nfs/dbraw/zinc/65/69/42/491656942.db2.gz QNMIEJDVVWVPRQ-SECBINFHSA-N -2 0 374.415 0.868 20 0 FCADRL COC(=O)Cc1cccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000578408401 491676661 /nfs/dbraw/zinc/67/66/61/491676661.db2.gz ZTMADQVJGYWWME-OAHLLOKOSA-N -2 0 373.383 0.246 20 0 FCADRL COc1ccc([C@H]([N-]S(=O)(=O)c2c(C)onc2N)C(=O)[O-])c(OC)c1 ZINC000580771906 491745024 /nfs/dbraw/zinc/74/50/24/491745024.db2.gz NRSJEECXRJGWDR-NSHDSACASA-N -2 0 371.371 0.687 20 0 FCADRL COC(=O)C1(CS(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])CCCCC1 ZINC000583180459 491839746 /nfs/dbraw/zinc/83/97/46/491839746.db2.gz OEKQTYGFINKFDQ-JTQLQIEISA-N -2 0 365.404 0.205 20 0 FCADRL CC(C)[C@@H](CN(C)C(=O)c1cc(=O)n(C)[n-]1)NC(=O)c1cc(=O)n(C)[n-]1 ZINC000613954585 492005397 /nfs/dbraw/zinc/00/53/97/492005397.db2.gz OWCQVDHEOBEQIX-GFCCVEGCSA-N -2 0 364.406 0.091 20 0 FCADRL COC(=O)c1cc(F)cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000614327654 492024779 /nfs/dbraw/zinc/02/47/79/492024779.db2.gz SOQWRWYGZNZADV-SNVBAGLBSA-N -2 0 363.319 0.209 20 0 FCADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CCC(N)=O)n1 ZINC000605118841 492082607 /nfs/dbraw/zinc/08/26/07/492082607.db2.gz OTLKYEDRPKKFAA-UHFFFAOYSA-N -2 0 370.362 0.705 20 0 FCADRL C[C@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000605653099 492101014 /nfs/dbraw/zinc/10/10/14/492101014.db2.gz IKXOVCCEEICKFM-SECBINFHSA-N -2 0 367.383 0.624 20 0 FCADRL O=C([O-])CCC[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)CC2)C(=O)[O-] ZINC000656159683 492559018 /nfs/dbraw/zinc/55/90/18/492559018.db2.gz YHIFFONPKLQSEZ-GFCCVEGCSA-N -2 0 355.368 0.802 20 0 FCADRL C[C@@](CNS(=O)(=O)CCc1ccc2c(c1)CCO2)(CC(=O)[O-])C(=O)[O-] ZINC000650410731 492638490 /nfs/dbraw/zinc/63/84/90/492638490.db2.gz WSMPLLINKQYJKZ-INIZCTEOSA-N -2 0 371.411 0.649 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC000630252752 492733344 /nfs/dbraw/zinc/73/33/44/492733344.db2.gz PBQAMBPBDDHJAU-HNNXBMFYSA-N -2 0 356.400 0.764 20 0 FCADRL O=C([O-])CN(CC1CC1)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000653324248 493094576 /nfs/dbraw/zinc/09/45/76/493094576.db2.gz NCJOTDIQKXWXLQ-UHFFFAOYSA-N -2 0 362.354 0.566 20 0 FCADRL COc1ccc(Cl)c(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000681563755 493187348 /nfs/dbraw/zinc/18/73/48/493187348.db2.gz XAXBEUZMVDQCSR-SECBINFHSA-N -2 0 351.764 0.945 20 0 FCADRL CCc1nn(C)c(CC)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000681587810 493191540 /nfs/dbraw/zinc/19/15/40/493191540.db2.gz DUACIZLCIZYWAL-NXEZZACHSA-N -2 0 373.431 0.341 20 0 FCADRL CC(=O)NCCN(C(=O)c1cccc(OCC(=O)[O-])c1)[C@H](C)C(=O)[O-] ZINC000659761414 493287448 /nfs/dbraw/zinc/28/74/48/493287448.db2.gz IPNBXUYZXAZJEX-SNVBAGLBSA-N -2 0 352.343 0.201 20 0 FCADRL Cc1nc(S(=O)(=O)N[C@@H](Cc2ccc(CC(=O)[O-])cc2)C(=O)[O-])c[nH]1 ZINC000684562172 493419172 /nfs/dbraw/zinc/41/91/72/493419172.db2.gz PAEUNDVUIPVRTJ-LBPRGKRZSA-N -2 0 367.383 0.319 20 0 FCADRL Cn1cc(S(=O)(=O)N[C@H](Cc2ccc(CC(=O)[O-])cc2)C(=O)[O-])cn1 ZINC000684562494 493419274 /nfs/dbraw/zinc/41/92/74/493419274.db2.gz YQYXZFYKDRNCRY-CYBMUJFWSA-N -2 0 367.383 0.021 20 0 FCADRL Cn1nccc1S(=O)(=O)N[C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684561784 493419307 /nfs/dbraw/zinc/41/93/07/493419307.db2.gz MFBNHRAMKMCFMM-GFCCVEGCSA-N -2 0 367.383 0.021 20 0 FCADRL O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1nn(-c3ccccc3F)cc1[O-])C2 ZINC000663129590 493573519 /nfs/dbraw/zinc/57/35/19/493573519.db2.gz NDCUPXVJBMODEN-BMLIUANNSA-N -2 0 361.329 0.890 20 0 FCADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)cc1C(=O)[O-] ZINC000671661402 493701845 /nfs/dbraw/zinc/70/18/45/493701845.db2.gz PNHQBEGCUZZEHZ-UHFFFAOYSA-N -2 0 358.763 0.969 20 0 FCADRL C[C@@H](CC(=O)N(C)CCC(=O)[O-])NS(=O)(=O)c1cccnc1Cl ZINC000769542815 597059878 /nfs/dbraw/zinc/05/98/78/597059878.db2.gz UZMWHATVJGKOSG-VIFPVBQESA-N -2 0 363.823 0.725 20 0 FCADRL CSc1[nH]c(=O)c(C(=O)[N-]O[C@@H]2CCCCO2)cc1-c1nnn[n-]1 ZINC000737186527 598286744 /nfs/dbraw/zinc/28/67/44/598286744.db2.gz JAAFXJFTBIJUMS-SECBINFHSA-N -2 0 352.376 0.877 20 0 FCADRL Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccn(CC(=O)[O-])n3)ccc21 ZINC000739004674 599739270 /nfs/dbraw/zinc/73/92/70/599739270.db2.gz UVHSXRUGCWCLQJ-UHFFFAOYSA-N -2 0 352.328 0.213 20 0 FCADRL Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000738933637 599793274 /nfs/dbraw/zinc/79/32/74/599793274.db2.gz GAWCUXLJHXWBTN-UHFFFAOYSA-N -2 0 366.380 0.916 20 0 FCADRL COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000737637413 599798683 /nfs/dbraw/zinc/79/86/83/599798683.db2.gz IGQOQSAVNCRVHW-UHFFFAOYSA-N -2 0 350.374 0.387 20 0 FCADRL CCCCCCOCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000736983957 599799334 /nfs/dbraw/zinc/79/93/34/599799334.db2.gz SLYRQJQGJIWQNE-UHFFFAOYSA-N -2 0 350.437 0.741 20 0 FCADRL O=C([O-])CSCCC(=O)[N-]S(=O)(=O)N1CCc2sccc2C1 ZINC000739846810 599801427 /nfs/dbraw/zinc/80/14/27/599801427.db2.gz RAOGPERWJJLTMG-UHFFFAOYSA-N -2 0 364.470 0.675 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000262651784 599809473 /nfs/dbraw/zinc/80/94/73/599809473.db2.gz JMFBXIVCJDFDHW-NSHDSACASA-N -2 0 357.370 0.813 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)[C@H](NC(=O)[O-])C(C)C)cc1 ZINC000736165010 599883320 /nfs/dbraw/zinc/88/33/20/599883320.db2.gz IHIKAHRSCUMYDG-GFCCVEGCSA-N -2 0 357.388 0.742 20 0 FCADRL O=C([O-])[C@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c2ccccc2O1 ZINC000739612859 599913462 /nfs/dbraw/zinc/91/34/62/599913462.db2.gz AEBYKBKFZPEKJU-GFCCVEGCSA-N -2 0 368.305 0.928 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2[n-]c1=S ZINC000737295165 599943971 /nfs/dbraw/zinc/94/39/71/599943971.db2.gz FBZFHXHXLBDFAR-LBPRGKRZSA-N -2 0 363.395 0.631 20 0 FCADRL CC(C)CN1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)CC1=O ZINC000736432955 600129658 /nfs/dbraw/zinc/12/96/58/600129658.db2.gz WQQSZYFJHLJOSN-SECBINFHSA-N -2 0 374.440 0.756 20 0 FCADRL Cc1cc(OCC(=O)[O-])ccc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000738475822 600151796 /nfs/dbraw/zinc/15/17/96/600151796.db2.gz GNYCNPCCJSULMR-UHFFFAOYSA-N -2 0 357.326 0.482 20 0 FCADRL COc1cc(CCC(=O)[N-]S(=O)(=O)CC(=O)[O-])cc(OC)c1OC ZINC000737884998 600179411 /nfs/dbraw/zinc/17/94/11/600179411.db2.gz YNJZKGBFZVDKTM-UHFFFAOYSA-N -2 0 361.372 0.176 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)c(S(N)(=O)=O)c2)c1C(=O)[O-] ZINC000738633197 600231027 /nfs/dbraw/zinc/23/10/27/600231027.db2.gz ZWUVEFZOHLYJCP-UHFFFAOYSA-N -2 0 374.400 0.173 20 0 FCADRL CC[C@@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000736925526 600241805 /nfs/dbraw/zinc/24/18/05/600241805.db2.gz ABEHXYMZKDQOPC-CYBMUJFWSA-N -2 0 362.448 0.882 20 0 FCADRL Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)Cc3ccc(C(=O)[O-])cc3)cn12 ZINC000738936554 600242049 /nfs/dbraw/zinc/24/20/49/600242049.db2.gz IBLZSRSURIMYRK-UHFFFAOYSA-N -2 0 374.378 0.996 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)[C@H]2COc3ccccc32)CC1 ZINC000739597501 600242092 /nfs/dbraw/zinc/24/20/92/600242092.db2.gz AKAJURNBRUBADX-LBPRGKRZSA-N -2 0 354.384 0.320 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)c2ccc3nncn3c2)s1 ZINC000739455349 600242145 /nfs/dbraw/zinc/24/21/45/600242145.db2.gz YZGIWYHSVBXLNE-UHFFFAOYSA-N -2 0 352.353 0.608 20 0 FCADRL CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cn1C ZINC000737544225 600301838 /nfs/dbraw/zinc/30/18/38/600301838.db2.gz AMFZEILFZYVECL-UHFFFAOYSA-N -2 0 366.399 0.953 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCCNC(=O)c1ccsc1 ZINC000739693296 600460632 /nfs/dbraw/zinc/46/06/32/600460632.db2.gz XYERSYASCDMYPS-UHFFFAOYSA-N -2 0 362.429 0.569 20 0 FCADRL Cc1nn(C)c2nc(C)cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c12 ZINC000738332129 600461258 /nfs/dbraw/zinc/46/12/58/600461258.db2.gz HMDNKPJOGYSPFD-UHFFFAOYSA-N -2 0 354.388 0.510 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000739691557 600462610 /nfs/dbraw/zinc/46/26/10/600462610.db2.gz IUXMVAZKBRLREH-UHFFFAOYSA-N -2 0 354.384 0.960 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000739695895 600463062 /nfs/dbraw/zinc/46/30/62/600463062.db2.gz UBSATUCYRPCGIN-JTQLQIEISA-N -2 0 358.347 0.562 20 0 FCADRL COc1ccc2c(c1)C[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CO2 ZINC000738073862 600463335 /nfs/dbraw/zinc/46/33/35/600463335.db2.gz MZJBZTZPSMQXMN-LLVKDONJSA-N -2 0 357.384 0.557 20 0 FCADRL C[C@]1(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])Cc2ccccc2C(=O)O1 ZINC000736727099 600464749 /nfs/dbraw/zinc/46/47/49/600464749.db2.gz CMYDDCRHRNKENP-OAHLLOKOSA-N -2 0 355.368 0.469 20 0 FCADRL O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(NC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000740304630 600506451 /nfs/dbraw/zinc/50/64/51/600506451.db2.gz VQSUJBCXBWBKCO-CYBMUJFWSA-N -2 0 358.354 0.580 20 0 FCADRL O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000740304631 600506521 /nfs/dbraw/zinc/50/65/21/600506521.db2.gz VQSUJBCXBWBKCO-ZDUSSCGKSA-N -2 0 358.354 0.580 20 0 FCADRL O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(NC(=O)c2n[nH]c(=O)[n-]2)c1 ZINC000739479034 600506569 /nfs/dbraw/zinc/50/65/69/600506569.db2.gz FQUYRHKZTOOUSJ-LLVKDONJSA-N -2 0 359.342 0.842 20 0 FCADRL O=C([O-])Cc1n[nH]c(NC(=O)c2cccn(Cc3ccccc3)c2=O)n1 ZINC000739899949 600535557 /nfs/dbraw/zinc/53/55/57/600535557.db2.gz XCPAHZQWMQGFRS-UHFFFAOYSA-N -2 0 353.338 0.894 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000739691204 674487901 /nfs/dbraw/zinc/48/79/01/674487901.db2.gz GDHGYCXQHJJNII-UHFFFAOYSA-N -2 0 370.305 0.947 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cncn1-c1ccc(F)cc1 ZINC000739696124 674488086 /nfs/dbraw/zinc/48/80/86/674488086.db2.gz CYAQUSPNVIMTTH-UHFFFAOYSA-N -2 0 355.347 0.936 20 0 FCADRL Cc1nn(C)c2ncc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)cc12 ZINC000324835093 600673594 /nfs/dbraw/zinc/67/35/94/600673594.db2.gz CYARHYYLVFAQOM-UHFFFAOYSA-N -2 0 350.360 0.359 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(=O)N3)cn1 ZINC000833273843 600677127 /nfs/dbraw/zinc/67/71/27/600677127.db2.gz HCRHPSHHNWYUFL-UHFFFAOYSA-N -2 0 352.328 0.099 20 0 FCADRL CON(C)C(=O)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000831836503 600681249 /nfs/dbraw/zinc/68/12/49/600681249.db2.gz IQUUUGIXBJEBGI-UHFFFAOYSA-N -2 0 368.371 0.402 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)cn1 ZINC000833274335 600682212 /nfs/dbraw/zinc/68/22/12/600682212.db2.gz ZWADXOTYUSYAMJ-UHFFFAOYSA-N -3 0 364.339 0.948 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1csc(-c2cnccn2)n1 ZINC000739696429 600756762 /nfs/dbraw/zinc/75/67/62/600756762.db2.gz ZTGDVZWJUYODEM-UHFFFAOYSA-N -2 0 356.385 0.525 20 0 FCADRL COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n1 ZINC000831192308 600829903 /nfs/dbraw/zinc/82/99/03/600829903.db2.gz GAMVGLGSIZMXPV-UHFFFAOYSA-N -2 0 354.344 0.259 20 0 FCADRL O=C([O-])c1c2c(sc1NC(=O)C(=O)NCc1nnn[n-]1)CCCC2 ZINC000833148131 600857796 /nfs/dbraw/zinc/85/77/96/600857796.db2.gz USLARQDROQXRAL-UHFFFAOYSA-N -2 0 350.360 0.093 20 0 FCADRL COc1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)cc([N-]S(C)(=O)=O)c1OC ZINC000261911582 600863924 /nfs/dbraw/zinc/86/39/24/600863924.db2.gz WMOIQCWBTWTUJG-VIFPVBQESA-N -2 0 372.399 0.622 20 0 FCADRL CC1=C(C(=O)[O-])[C@@H](c2cn(C)nn2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736750632 600885910 /nfs/dbraw/zinc/88/59/10/600885910.db2.gz LJRBKKUEBZZENC-CYBMUJFWSA-N -2 0 351.363 0.885 20 0 FCADRL O=C([O-])CN(CCN1CCOCC1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000833248392 600943132 /nfs/dbraw/zinc/94/31/32/600943132.db2.gz OYUNHNJGSXIZSF-UHFFFAOYSA-N -2 0 365.411 0.976 20 0 FCADRL CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000831015935 600944779 /nfs/dbraw/zinc/94/47/79/600944779.db2.gz ORVOTKJXUDDZPA-UHFFFAOYSA-N -2 0 362.363 0.863 20 0 FCADRL Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c1 ZINC000833062828 600984986 /nfs/dbraw/zinc/98/49/86/600984986.db2.gz VJNIIUUTYFZNQF-UHFFFAOYSA-N -2 0 360.355 0.771 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1 ZINC000829885315 600986192 /nfs/dbraw/zinc/98/61/92/600986192.db2.gz JQZUWZLNZQQOBI-UHFFFAOYSA-N -2 0 354.344 0.340 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1C ZINC000831444873 600986782 /nfs/dbraw/zinc/98/67/82/600986782.db2.gz UOVWVDWLWXILLR-UHFFFAOYSA-N -2 0 354.344 0.259 20 0 FCADRL COc1cc(F)c(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1OC ZINC000832010655 600987170 /nfs/dbraw/zinc/98/71/70/600987170.db2.gz LBVYYKIAZNLUDG-UHFFFAOYSA-N -2 0 360.323 0.320 20 0 FCADRL O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000833178423 601089039 /nfs/dbraw/zinc/08/90/39/601089039.db2.gz WGBZCCXLIWPYIU-OCCSQVGLSA-N -2 0 373.413 0.953 20 0 FCADRL C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Br)C(=O)[O-] ZINC000013027634 601132394 /nfs/dbraw/zinc/13/23/94/601132394.db2.gz YJGCZHCSZHXAPG-YFKPBYRVSA-N -2 0 352.162 0.899 20 0 FCADRL C[C@H]1C(=O)Nc2cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])ccc2N1C ZINC000828142191 601143106 /nfs/dbraw/zinc/14/31/06/601143106.db2.gz FXRDRGASDWVTJY-VIFPVBQESA-N -2 0 369.399 0.388 20 0 FCADRL COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000831568088 601301164 /nfs/dbraw/zinc/30/11/64/601301164.db2.gz XSEVZQMGVQWBSX-MRXNPFEDSA-N -2 0 365.411 0.832 20 0 FCADRL CN1CCOc2ccc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)cc21 ZINC000830965671 601362880 /nfs/dbraw/zinc/36/28/80/601362880.db2.gz SZZUKRFPPWWVKW-UHFFFAOYSA-N -2 0 352.372 0.597 20 0 FCADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)NCC2 ZINC000833358020 601484684 /nfs/dbraw/zinc/48/46/84/601484684.db2.gz NEPAGFKUFPNZCO-UHFFFAOYSA-N -2 0 353.381 0.928 20 0 FCADRL CCC(CC)(NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000828854403 601519264 /nfs/dbraw/zinc/51/92/64/601519264.db2.gz BVBLPIVVYDUKTJ-UHFFFAOYSA-N -2 0 356.360 0.358 20 0 FCADRL O=C([O-])[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc(Cl)cc1 ZINC000833119810 601582869 /nfs/dbraw/zinc/58/28/69/601582869.db2.gz RZKGXRRFCFKBCF-LBPRGKRZSA-N -2 0 361.745 0.667 20 0 FCADRL CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000829649033 601599296 /nfs/dbraw/zinc/59/92/96/601599296.db2.gz ZAIKODDESGIVCU-UHFFFAOYSA-N -2 0 356.400 0.838 20 0 FCADRL Cc1cc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc(C)c1OCC(=O)[O-] ZINC000832861894 601686966 /nfs/dbraw/zinc/68/69/66/601686966.db2.gz MHGUPGLZLBFEPW-GFCCVEGCSA-N -2 0 361.358 0.494 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)N3CCOC[C@@H]3C(=O)[O-])cc2[n-]c1=S ZINC000823846808 601721068 /nfs/dbraw/zinc/72/10/68/601721068.db2.gz IVTHPYKYDMRXHZ-GFCCVEGCSA-N -2 0 363.395 0.631 20 0 FCADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H](CC(=O)OC)C(=O)[O-])n1 ZINC000830269725 601757373 /nfs/dbraw/zinc/75/73/73/601757373.db2.gz DTUKBZGFFNONSM-LLVKDONJSA-N -2 0 361.354 0.886 20 0 FCADRL O=C([O-])[C@]1(F)CCN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000833119985 601759178 /nfs/dbraw/zinc/75/91/78/601759178.db2.gz YNKIARCTCSHYSK-HNNXBMFYSA-N -2 0 351.359 0.710 20 0 FCADRL O=C([O-])[C@@]1(F)CCN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000833119986 601759251 /nfs/dbraw/zinc/75/92/51/601759251.db2.gz YNKIARCTCSHYSK-OAHLLOKOSA-N -2 0 351.359 0.710 20 0 FCADRL O=C([O-])C[C@H]1CN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CCO1 ZINC000833218728 601760541 /nfs/dbraw/zinc/76/05/41/601760541.db2.gz ZWUUYSIBQFMBFY-JTQLQIEISA-N -2 0 363.395 0.387 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])n(-c2ncccn2)n1 ZINC000832898175 601770197 /nfs/dbraw/zinc/77/01/97/601770197.db2.gz DWVOZNLEZFMQLF-UHFFFAOYSA-N -2 0 363.359 0.501 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1C(=O)[O-] ZINC000833053123 601783818 /nfs/dbraw/zinc/78/38/18/601783818.db2.gz QOOSYZBBTFATRR-UHFFFAOYSA-N -2 0 358.397 0.928 20 0 FCADRL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC000831467207 601836896 /nfs/dbraw/zinc/83/68/96/601836896.db2.gz TVSSQYQWXJVBLX-UHFFFAOYSA-N -2 0 374.762 0.604 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(=O)[O-])cc2)nc1Cl ZINC000759707464 601862916 /nfs/dbraw/zinc/86/29/16/601862916.db2.gz GEQWMWPOOHMJPZ-UHFFFAOYSA-N -2 0 372.790 0.689 20 0 FCADRL COC(=O)CCc1nnc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)s1 ZINC000831160644 602103156 /nfs/dbraw/zinc/10/31/56/602103156.db2.gz ZVWKBPXVDJRBOI-UHFFFAOYSA-N -2 0 360.373 0.471 20 0 FCADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000833347297 602156637 /nfs/dbraw/zinc/15/66/37/602156637.db2.gz XNCIUENPNXXTLM-UHFFFAOYSA-N -2 0 352.357 0.618 20 0 FCADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000827304100 602192971 /nfs/dbraw/zinc/19/29/71/602192971.db2.gz OXSHNOCRXXIHON-SECBINFHSA-N -2 0 355.347 0.927 20 0 FCADRL COCCC1(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCCC1 ZINC000831676830 602242371 /nfs/dbraw/zinc/24/23/71/602242371.db2.gz YYFFAAKDDBTKAX-UHFFFAOYSA-N -2 0 362.448 0.741 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738149150 602449103 /nfs/dbraw/zinc/44/91/03/602449103.db2.gz NRVRZZNRABLOBE-UHFFFAOYSA-N -2 0 358.358 0.312 20 0 FCADRL CN(CC(=O)[N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000737393196 602686166 /nfs/dbraw/zinc/68/61/66/602686166.db2.gz JYYPTNHTDKSCEO-UHFFFAOYSA-N -2 0 352.166 0.259 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)NC(=O)[O-])cc1C(N)=O ZINC000738653553 602686676 /nfs/dbraw/zinc/68/66/76/602686676.db2.gz YJQDLMWWEGZJQR-GFCCVEGCSA-N -2 0 371.415 0.581 20 0 FCADRL CC(C)[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)N1CCc2sccc2C1 ZINC000736374347 604375011 /nfs/dbraw/zinc/37/50/11/604375011.db2.gz ISEQNFFHIWOWDD-NSHDSACASA-N -2 0 361.445 0.759 20 0 FCADRL CS(=O)(=O)[N-]c1nnc(NC(=O)Cc2cccc(C(=O)[O-])c2)s1 ZINC000833737975 604719686 /nfs/dbraw/zinc/71/96/86/604719686.db2.gz OUMNTMFYNJEZQX-UHFFFAOYSA-N -2 0 356.385 0.789 20 0 FCADRL C[C@@H](NS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1)C(=O)[O-] ZINC000833739121 604882998 /nfs/dbraw/zinc/88/29/98/604882998.db2.gz JESOGFQWCPKRAJ-RXMQYKEDSA-N -2 0 352.162 0.899 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])c1 ZINC000833715657 604883042 /nfs/dbraw/zinc/88/30/42/604883042.db2.gz VRXWCVNAIWYMOZ-LLVKDONJSA-N -2 0 373.383 0.949 20 0 FCADRL C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1Br)C(=O)[O-] ZINC000833739087 604883203 /nfs/dbraw/zinc/88/32/03/604883203.db2.gz FIFQDQLTPFZSPK-RXMQYKEDSA-N -2 0 352.162 0.899 20 0 FCADRL NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)c1 ZINC000320567714 604889610 /nfs/dbraw/zinc/88/96/10/604889610.db2.gz PNAYONNLSURCQH-UHFFFAOYSA-N -2 0 357.369 0.228 20 0 FCADRL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000833700603 605231576 /nfs/dbraw/zinc/23/15/76/605231576.db2.gz NMLFNEMESOITND-UHFFFAOYSA-N -2 0 368.411 0.742 20 0 FCADRL CN(CC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC000828114657 605268090 /nfs/dbraw/zinc/26/80/90/605268090.db2.gz JOKBVGLAFVVMSS-SECBINFHSA-N -2 0 365.408 0.052 20 0 FCADRL Cc1sc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C(=O)[O-])c1C ZINC000833757899 605303138 /nfs/dbraw/zinc/30/31/38/605303138.db2.gz BOTUBFXAHZATSP-UHFFFAOYSA-N -2 0 373.412 0.261 20 0 FCADRL CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000833392939 605402490 /nfs/dbraw/zinc/40/24/90/605402490.db2.gz YYWVJYHOQUPUSL-AWEZNQCLSA-N -2 0 368.411 0.271 20 0 FCADRL CC(C)(C)OC(=O)N1CC(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1 ZINC000833433109 605485280 /nfs/dbraw/zinc/48/52/80/605485280.db2.gz VHEKMFFCRWXISP-UHFFFAOYSA-N -2 0 350.393 0.164 20 0 FCADRL CN1CCCc2ccc(S(=O)(=O)[N-]C(=O)c3cc(C(=O)[O-])no3)cc21 ZINC000833697449 605906902 /nfs/dbraw/zinc/90/69/02/605906902.db2.gz KFWXOANRWNMFMD-UHFFFAOYSA-N -2 0 365.367 0.874 20 0 FCADRL O=C([O-])c1csc(S(=O)(=O)[N-]NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000070825599 663188118 /nfs/dbraw/zinc/18/81/18/663188118.db2.gz DHYDWRTUMCEILO-UHFFFAOYSA-N -2 0 371.352 0.978 20 0 FCADRL O=C([O-])[C@H](NC(=O)c1cnc(I)c([O-])c1)C1CC1 ZINC000909041038 666224111 /nfs/dbraw/zinc/22/41/11/666224111.db2.gz SJYGGKGCKCJRIH-MRVPVSSYSA-N -2 0 362.123 0.985 20 0 FCADRL CC1(C(=O)[O-])CN(C(=O)c2cnc(I)c([O-])c2)C1 ZINC000910059867 666238169 /nfs/dbraw/zinc/23/81/69/666238169.db2.gz WHIFENGGBUXVMX-UHFFFAOYSA-N -2 0 362.123 0.939 20 0 FCADRL O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3cnc(I)c([O-])c3)C[C@@H]21 ZINC000910799373 666278867 /nfs/dbraw/zinc/27/88/67/666278867.db2.gz KTKCXFLXGGWPKE-QMSLJYSESA-N -2 0 374.134 0.794 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1=O ZINC000918063353 667099042 /nfs/dbraw/zinc/09/90/42/667099042.db2.gz SNPWKOLQEXWHLH-ZDUSSCGKSA-N -2 0 359.335 0.438 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000759129981 667794947 /nfs/dbraw/zinc/79/49/47/667794947.db2.gz OCEUZLIODFPZLO-UHFFFAOYSA-N -2 0 360.288 0.943 20 0 FCADRL COC(C)(C)CCS(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000764314626 667980571 /nfs/dbraw/zinc/98/05/71/667980571.db2.gz AVBVABMXCRQTIS-UHFFFAOYSA-N -2 0 362.370 0.705 20 0 FCADRL O=C([O-])CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)nc2)cc1 ZINC000765144089 668001169 /nfs/dbraw/zinc/00/11/69/668001169.db2.gz RRMDEIJNLLOXSB-UHFFFAOYSA-N -2 0 353.331 0.836 20 0 FCADRL Cn1nc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000776426067 668260815 /nfs/dbraw/zinc/26/08/15/668260815.db2.gz GKPHKYZTIHOBAE-UHFFFAOYSA-N -3 0 353.356 0.936 20 0 FCADRL CCCOC(=O)c1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000776437567 668261854 /nfs/dbraw/zinc/26/18/54/668261854.db2.gz LATKIPGUSMFLBG-GFCCVEGCSA-N -2 0 373.383 0.850 20 0 FCADRL O=C([N-]n1ccccc1=O)c1ccc(C(=O)[N-]n2ccccc2=O)s1 ZINC000780969710 668496814 /nfs/dbraw/zinc/49/68/14/668496814.db2.gz FHXHPKRKLIKIHU-UHFFFAOYSA-N -2 0 356.363 0.839 20 0 FCADRL O=C([O-])Cc1ccc(C[C@@H](NS(=O)(=O)C[C@@H]2CCOC2)C(=O)[O-])cc1 ZINC000794916542 669001426 /nfs/dbraw/zinc/00/14/26/669001426.db2.gz PIFMBWQIHRBCSF-ZIAGYGMSSA-N -2 0 371.411 0.265 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)c1Cl ZINC000795344862 669027792 /nfs/dbraw/zinc/02/77/92/669027792.db2.gz LDZOMXQXSUFBFW-UHFFFAOYSA-N -2 0 358.763 0.969 20 0 FCADRL CC(C)(C)OC(=O)NCCc1nc(C(=O)[N-]n2c(=O)[n-][nH]c2=O)cs1 ZINC000820282036 669076570 /nfs/dbraw/zinc/07/65/70/669076570.db2.gz IDJSVZVKSWZIPW-UHFFFAOYSA-N -2 0 370.391 0.597 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000844792247 670944363 /nfs/dbraw/zinc/94/43/63/670944363.db2.gz JFKBCCUYBRJBCJ-LBPRGKRZSA-N -2 0 366.754 0.814 20 0 FCADRL CCO[N-]C(=O)CNC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC000846492831 671116292 /nfs/dbraw/zinc/11/62/92/671116292.db2.gz DPHYOXBNCMZEEE-UHFFFAOYSA-N -2 0 369.321 0.746 20 0 FCADRL COC(=O)c1cc(C)c(F)c(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000848676690 671289402 /nfs/dbraw/zinc/28/94/02/671289402.db2.gz YLYMMLMPQPWULG-MRVPVSSYSA-N -2 0 363.319 0.127 20 0 FCADRL CCn1nccc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851703114 671461593 /nfs/dbraw/zinc/46/15/93/671461593.db2.gz NYYTUPNZBIJQTR-SCZZXKLOSA-N -2 0 362.308 0.639 20 0 FCADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F ZINC000854610775 671589426 /nfs/dbraw/zinc/58/94/26/671589426.db2.gz KNMWBAWRCGTYCG-UHFFFAOYSA-N -2 0 370.362 0.929 20 0 FCADRL CCOC(=O)C(C)(C)ONC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000855133857 671627145 /nfs/dbraw/zinc/62/71/45/671627145.db2.gz VXENNLAWBACGMB-UHFFFAOYSA-N -2 0 350.331 0.748 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)cc1C(N)=O ZINC000863954969 672165219 /nfs/dbraw/zinc/16/52/19/672165219.db2.gz VCZOQEZQYYJAAB-UHFFFAOYSA-N -2 0 352.368 0.320 20 0 FCADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000863955903 672165654 /nfs/dbraw/zinc/16/56/54/672165654.db2.gz DAIYEOGBVKTKOX-AWEZNQCLSA-N -2 0 371.411 0.923 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000863955692 672165675 /nfs/dbraw/zinc/16/56/75/672165675.db2.gz VJOGMKKBHREQJO-GFCCVEGCSA-N -2 0 354.384 0.134 20 0 FCADRL O=C([O-])CCC(=O)[N-]S(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 ZINC000863955951 672165934 /nfs/dbraw/zinc/16/59/34/672165934.db2.gz AUJHGAHGJKCJDX-UHFFFAOYSA-N -2 0 370.383 0.318 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C(=O)[O-])CC2(C)C)nc1 ZINC000863956550 672166186 /nfs/dbraw/zinc/16/61/86/672166186.db2.gz AKTWBZGKMBAMAJ-OAHLLOKOSA-N -2 0 370.383 0.564 20 0 FCADRL CCC(=O)NCc1cc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])ccc1OC ZINC000863957248 672166548 /nfs/dbraw/zinc/16/65/48/672166548.db2.gz ZNWIMQBBYFSLSD-UHFFFAOYSA-N -2 0 372.399 0.391 20 0 FCADRL COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000863958823 672167196 /nfs/dbraw/zinc/16/71/96/672167196.db2.gz LCRNVRWPIAGKCK-NXEZZACHSA-N -2 0 373.383 0.407 20 0 FCADRL COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)c1 ZINC000863960516 672168084 /nfs/dbraw/zinc/16/80/84/672168084.db2.gz SDKXCPQTIDZEII-GFCCVEGCSA-N -2 0 357.384 0.776 20 0 FCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)CCc2ccc3c(c2)CCO3)CCC1 ZINC000863960258 672168089 /nfs/dbraw/zinc/16/80/89/672168089.db2.gz YQQJUVJZVPTRHZ-UHFFFAOYSA-N -2 0 353.396 0.865 20 0 FCADRL COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000863961200 672168398 /nfs/dbraw/zinc/16/83/98/672168398.db2.gz HBLAMOOYOAHJSE-NSHDSACASA-N -2 0 372.399 0.346 20 0 FCADRL CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)s1 ZINC000863961350 672168600 /nfs/dbraw/zinc/16/86/00/672168600.db2.gz MRHGMNKNCBARRD-MRVPVSSYSA-N -2 0 363.417 0.653 20 0 FCADRL CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C)s1 ZINC000863961351 672168655 /nfs/dbraw/zinc/16/86/55/672168655.db2.gz MRHGMNKNCBARRD-QMMMGPOBSA-N -2 0 363.417 0.653 20 0 FCADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1C(N)=O ZINC000863962412 672169221 /nfs/dbraw/zinc/16/92/21/672169221.db2.gz KMJNBNHEKHFVAQ-HNNXBMFYSA-N -2 0 354.384 0.232 20 0 FCADRL CC(C)c1nc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cn2)cn1C ZINC000863963471 672169968 /nfs/dbraw/zinc/16/99/68/672169968.db2.gz XQRWWYNFHCMUEQ-UHFFFAOYSA-N -2 0 352.372 0.755 20 0 FCADRL CCc1nc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)cn1CC1CC1 ZINC000863964941 672170735 /nfs/dbraw/zinc/17/07/35/672170735.db2.gz PUUMTJWSMOLJPI-WDEREUQCSA-N -2 0 371.415 0.293 20 0 FCADRL C[C@H](CNC(=O)c1cnc(I)c([O-])c1)C(=O)[O-] ZINC000902022113 675822082 /nfs/dbraw/zinc/82/20/82/675822082.db2.gz LKDAGEZNKHEBCE-RXMQYKEDSA-N -2 0 350.112 0.842 20 0 FCADRL Cc1n[nH]c(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3[nH]nc(C)c3[O-])C2)c1[O-] ZINC000981162944 1186336925 /nfs/dbraw/zinc/33/69/25/1186336925.db2.gz HUHZCEBLILNBRD-VHSXEESVSA-N -2 0 362.390 0.489 20 0 FCADRL Cc1cc(C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000552371611 1193927348 /nfs/dbraw/zinc/92/73/48/1193927348.db2.gz MPTIAMGLYIVGDQ-GXSJLCMTSA-N -2 0 364.402 0.632 20 0 FCADRL COC(=O)CCCNC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000043162715 1195602424 /nfs/dbraw/zinc/60/24/24/1195602424.db2.gz LJILORGBOIPOTO-UHFFFAOYSA-N -2 0 361.358 0.475 20 0 FCADRL Cn1cc(CCC(=O)N[N-]C(=O)c2nn(-c3ccccc3)cc2[O-])cn1 ZINC000054821460 1196461418 /nfs/dbraw/zinc/46/14/18/1196461418.db2.gz OOGMQJXYDXYIAO-UHFFFAOYSA-N -2 0 354.370 0.705 20 0 FCADRL O=C(NCCCn1cncn1)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000045648457 1196507494 /nfs/dbraw/zinc/50/74/94/1196507494.db2.gz MJUAIYQBQZIZDQ-UHFFFAOYSA-N -2 0 370.373 0.204 20 0 FCADRL Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1n[n-]c2ccccc2c1=O ZINC000118343942 1209870995 /nfs/dbraw/zinc/87/09/95/1209870995.db2.gz MCJWFKBZLCYUIE-UHFFFAOYSA-N -2 0 364.365 0.806 20 0 FCADRL O=C([O-])C[C@@H](C(=O)OCc1ccc(C(=O)NC2CC2)cc1)[C@H](O)C(=O)[O-] ZINC001223824790 1225738659 /nfs/dbraw/zinc/73/86/59/1225738659.db2.gz VCFVDURDZDQBSG-OCCSQVGLSA-N -2 0 365.338 0.158 20 0 FCADRL COc1cc(OC)c(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(OC)c1 ZINC001223897521 1225744356 /nfs/dbraw/zinc/74/43/56/1225744356.db2.gz PFOCNZPNSVXGSU-YMTOWFKASA-N -2 0 372.326 0.292 20 0 FCADRL COC(=O)c1c(C)cc(O)c(C)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001229332715 1226003140 /nfs/dbraw/zinc/00/31/40/1226003140.db2.gz JEHNMRPVGIUFLS-QPUJVOFHSA-N -2 0 370.310 0.237 20 0 FCADRL C[C@H](CO[N-]C(=O)Cn1[n-]cc2c(=O)ncnc1-2)NC(=O)OC(C)(C)C ZINC000783664796 1221215496 /nfs/dbraw/zinc/21/54/96/1221215496.db2.gz ZWJFEBDUDGBKFS-SECBINFHSA-N -2 0 366.378 0.032 20 0 FCADRL O=C1OCc2c1cccc2S(=O)(=O)[N-]c1ccc(-n2nn[n-]c2=O)cc1 ZINC000799924299 1221318082 /nfs/dbraw/zinc/31/80/82/1221318082.db2.gz NQTHBKOQGXVXQO-UHFFFAOYSA-N -2 0 373.350 0.839 20 0 FCADRL CC(C)(C)OC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc1 ZINC001229888750 1226038080 /nfs/dbraw/zinc/03/80/80/1226038080.db2.gz VYZJISBFNVPNOU-CABZTGNLSA-N -2 0 369.326 0.479 20 0 FCADRL COC(=O)c1cc(C)c(O)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1C ZINC001230259250 1226068847 /nfs/dbraw/zinc/06/88/47/1226068847.db2.gz IRMZPBKTADVTEV-JOYOIKCWSA-N -2 0 370.310 0.237 20 0 FCADRL COC(=O)/C=C/c1ccc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001231330387 1226103727 /nfs/dbraw/zinc/10/37/27/1226103727.db2.gz MRSVAQMXZHKTRB-ZBBPAJGQSA-N -2 0 368.294 0.020 20 0 FCADRL COC(=O)C1(c2cccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2)CC1 ZINC001231154445 1226101419 /nfs/dbraw/zinc/10/14/19/1226101419.db2.gz GIVAJSWZDAKMIL-YPMHNXCESA-N -2 0 366.322 0.333 20 0 FCADRL Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2n[nH]c(C)c2[O-])c1[O-] ZINC001002042702 1252421746 /nfs/dbraw/zinc/42/17/46/1252421746.db2.gz IKQSEVHIPGKHGJ-BBBLOLIVSA-N -2 0 360.374 0.336 20 0 FCADRL Cn1[n-]c(C(=O)NC2CCC(NC(=O)c3cc(=O)n(C)[n-]3)CC2)cc1=O ZINC001330769074 1266095370 /nfs/dbraw/zinc/09/53/70/1266095370.db2.gz BUJTVPMFGYGTSX-UHFFFAOYSA-N -2 0 362.390 0.036 20 0 FCADRL NC(=O)c1cc2ccccc2cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001233569900 1259552965 /nfs/dbraw/zinc/55/29/65/1259552965.db2.gz QDXJWOJURVOKDB-BXUZGUMPSA-N -2 0 361.306 0.381 20 0 FCADRL COc1ccc2ccc(=O)oc2c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234388798 1259559443 /nfs/dbraw/zinc/55/94/43/1259559443.db2.gz WUUDHLGUUOLLQD-QPUJVOFHSA-N -2 0 366.278 0.243 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(OCCOC2CC2)cc1)[C@@H](O)C(=O)[O-] ZINC001234542644 1259562402 /nfs/dbraw/zinc/56/24/02/1259562402.db2.gz ZRFLKPKLSYEIDI-UKRRQHHQSA-N -2 0 368.338 0.686 20 0 FCADRL COc1cc(F)cc(F)c1S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC001338370532 1267922819 /nfs/dbraw/zinc/92/28/19/1267922819.db2.gz ARDBXSQGXKWKJG-CYBMUJFWSA-N -2 0 367.326 0.817 20 0 FCADRL C[C@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)[C@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001552398022 1268458200 /nfs/dbraw/zinc/45/82/00/1268458200.db2.gz HOHHOVKHCOIHIO-INABMFAFSA-N -2 0 354.403 0.864 20 0 FCADRL Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001580596938 1278552831 /nfs/dbraw/zinc/55/28/31/1278552831.db2.gz FGDQBXNLQBEMEP-QMMMGPOBSA-N -2 0 371.361 0.119 20 0 FCADRL C[C@H](O)[C@H](NS(=O)(=O)c1c([O-])cccc1OC(F)(F)F)C(=O)[O-] ZINC001574662097 1271461992 /nfs/dbraw/zinc/46/19/92/1271461992.db2.gz LDWZHGITUKZLOF-XNCJUZBTSA-N -2 0 359.278 0.403 20 0 FCADRL CCN(c1nccnc1-c1nn[nH]n1)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001578208405 1275499909 /nfs/dbraw/zinc/49/99/09/1275499909.db2.gz PQNJHBOOJLJGFR-MRVPVSSYSA-N -2 0 372.393 0.039 20 0 FCADRL COC(=O)[C@@H](C)N(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CCC1 ZINC001579431462 1277299250 /nfs/dbraw/zinc/29/92/50/1277299250.db2.gz CRKSZDPZXRFLRV-SECBINFHSA-N -2 0 372.389 0.531 20 0 FCADRL COC(=O)[C@@H]1CCCCCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001579443667 1277329257 /nfs/dbraw/zinc/32/92/57/1277329257.db2.gz SDTOLDYHIHHFSD-LBPRGKRZSA-N -2 0 372.389 0.533 20 0 FCADRL COC(=O)[C@]12C[C@H]1CCCN2Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001579479919 1277387378 /nfs/dbraw/zinc/38/73/78/1277387378.db2.gz XJQNZDNWGOCJFV-ABKXIKBNSA-N -2 0 370.373 0.143 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2=O)cc1 ZINC001603188079 1287325278 /nfs/dbraw/zinc/32/52/78/1287325278.db2.gz LINJHMDUSZIJRA-WDEREUQCSA-N -2 0 368.411 0.982 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)C1CCN(CC(F)F)CC1 ZINC001603186760 1287323620 /nfs/dbraw/zinc/32/36/20/1287323620.db2.gz BCSMVBHAVCGTAX-DTWKUNHWSA-N -2 0 356.391 0.519 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCC1CN(C(=O)OC(C)(C)C)C1 ZINC001603201157 1287328231 /nfs/dbraw/zinc/32/82/31/1287328231.db2.gz CYKGIRKOKCRDHR-SECBINFHSA-N -2 0 364.420 0.553 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccnn1CCc1ccccc1 ZINC001603203854 1287329302 /nfs/dbraw/zinc/32/93/02/1287329302.db2.gz DIHOWWNKCQYNEK-NSHDSACASA-N -2 0 351.384 0.659 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cnc(Oc2ccccc2)cn1 ZINC001603204304 1287329804 /nfs/dbraw/zinc/32/98/04/1287329804.db2.gz MNMBAADGATYNHK-VIFPVBQESA-N -2 0 351.340 0.802 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCc1ccc2c(c1)OC(F)(F)O2 ZINC001603204436 1287331311 /nfs/dbraw/zinc/33/13/11/1287331311.db2.gz OSEZVKOIGUDMKB-ZETCQYMHSA-N -2 0 365.310 0.860 20 0 FCADRL CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)cc1 ZINC001603274195 1287346083 /nfs/dbraw/zinc/34/60/83/1287346083.db2.gz JWUYOLAEQLBMLU-GXFFZTMASA-N -2 0 371.411 0.817 20 0 FCADRL CC(C)(C(=O)[O-])n1cc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC001603282954 1287346713 /nfs/dbraw/zinc/34/67/13/1287346713.db2.gz GSWCTACEMPNULA-RFAUZJTJSA-N -2 0 352.347 0.268 20 0 FCADRL CC(C)(C)C(=O)NCCC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001603300443 1287350254 /nfs/dbraw/zinc/35/02/54/1287350254.db2.gz IOXCNRRTVMUHMN-UHFFFAOYSA-N -2 0 370.427 0.883 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)CSC[C@H]1CCCCO1)C(=O)[O-] ZINC001603661106 1287460591 /nfs/dbraw/zinc/46/05/91/1287460591.db2.gz WXDAZMQTHJTQEL-SNVBAGLBSA-N -2 0 353.462 0.846 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)CN1C(=O)CCc2ccccc21)C(=O)[O-] ZINC001603661071 1287460989 /nfs/dbraw/zinc/46/09/89/1287460989.db2.gz VUXDEQIBTNITJG-UHFFFAOYSA-N -2 0 368.411 0.523 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)[O-] ZINC001603660775 1287461048 /nfs/dbraw/zinc/46/10/48/1287461048.db2.gz QGFBZPJOTFLUOJ-UHFFFAOYSA-N -2 0 356.356 0.188 20 0 FCADRL CC(C)CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c1ccccc1 ZINC001603760596 1287489820 /nfs/dbraw/zinc/48/98/20/1287489820.db2.gz BDDZWDBVRSMTGK-HNNXBMFYSA-N -2 0 370.427 0.811 20 0 FCADRL CN(C(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1)c1nnn[n-]1 ZINC001634121844 1282301537 /nfs/dbraw/zinc/30/15/37/1282301537.db2.gz ZWJBFOSNFSNVPR-UHFFFAOYSA-N -2 0 350.282 0.738 20 0 FCADRL CC(C)C[C@@H]1COCCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001589574389 1282912402 /nfs/dbraw/zinc/91/24/02/1282912402.db2.gz UBYZZNXVAFAPFI-GFCCVEGCSA-N -2 0 358.406 0.862 20 0 FCADRL C[C@@H]1C[C@@H](C)[C@@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)O1 ZINC001590190773 1283294753 /nfs/dbraw/zinc/29/47/53/1283294753.db2.gz GHGWMAZGZHGRNZ-RWYTXXIDSA-N -2 0 359.346 0.472 20 0 FCADRL C[C@@H]1C[C@H](C)[C@@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)O1 ZINC001590190774 1283295572 /nfs/dbraw/zinc/29/55/72/1283295572.db2.gz GHGWMAZGZHGRNZ-SXMVTHIZSA-N -2 0 359.346 0.472 20 0 FCADRL C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CCc2ocnc2C(=O)[O-])C1 ZINC001604589316 1287674938 /nfs/dbraw/zinc/67/49/38/1287674938.db2.gz MKITZHLKBJHLSH-ZDUSSCGKSA-N -2 0 363.292 0.975 20 0 FCADRL CO[C@H]1CCCC[C@H]1C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001591355506 1284489819 /nfs/dbraw/zinc/48/98/19/1284489819.db2.gz ZROMBGXTXSLFMS-PWSUYJOCSA-N -2 0 373.373 0.863 20 0 FCADRL COCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 ZINC001591407236 1284549306 /nfs/dbraw/zinc/54/93/06/1284549306.db2.gz ICFKWSCQSYRBOK-SECBINFHSA-N -2 0 371.394 0.873 20 0 FCADRL CSc1[nH]c(=O)c(C(=O)[N-]OCCOC(C)C)cc1-c1nnn[n-]1 ZINC001591705979 1284849696 /nfs/dbraw/zinc/84/96/96/1284849696.db2.gz UDVRDCZJNGOGFF-UHFFFAOYSA-N -2 0 354.392 0.776 20 0 FCADRL Cc1c([C@@H](C)NCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)cnn1C ZINC001591814705 1284923091 /nfs/dbraw/zinc/92/30/91/1284923091.db2.gz WJCXVJAOEZLYLP-MRVPVSSYSA-N -2 0 354.378 0.508 20 0 FCADRL Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1[C@@H](C)SC[C@H]1C(=O)[O-] ZINC001591870812 1284956524 /nfs/dbraw/zinc/95/65/24/1284956524.db2.gz SYPCQCMOXXXICO-SCZZXKLOSA-N -2 0 369.428 0.712 20 0 FCADRL Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]C(=O)CCCC(=O)[O-] ZINC001592110988 1285146397 /nfs/dbraw/zinc/14/63/97/1285146397.db2.gz QFPPSBCOQZNZMO-UHFFFAOYSA-N -2 0 353.360 0.235 20 0 FCADRL O=C([O-])CCCC(=O)[N-]S(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 ZINC001593278334 1286060439 /nfs/dbraw/zinc/06/04/39/1286060439.db2.gz ZDJZWFCKSHPAPJ-UHFFFAOYSA-N -2 0 357.323 0.066 20 0 FCADRL O=C([O-])CN(CC(F)(F)F)S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001593278848 1286061889 /nfs/dbraw/zinc/06/18/89/1286061889.db2.gz ZARNYXYEISKIKT-UHFFFAOYSA-N -2 0 371.322 0.566 20 0 FCADRL O=C([O-])c1ccc2c(c1)CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)o1)C2 ZINC001593283467 1286064728 /nfs/dbraw/zinc/06/47/28/1286064728.db2.gz SIYNMKHIJSXVRP-UHFFFAOYSA-N -2 0 361.339 0.862 20 0 FCADRL O=C(OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@@H]1CCCOCC1 ZINC001593295460 1286067723 /nfs/dbraw/zinc/06/77/23/1286067723.db2.gz OOLZNVZUQCAWBX-SECBINFHSA-N -2 0 359.346 0.475 20 0 FCADRL O=c1cc(CN[C@@H](CCO)c2ccco2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001593529905 1286194117 /nfs/dbraw/zinc/19/41/17/1286194117.db2.gz WOBGZFGBTVTHHY-NSHDSACASA-N -2 0 356.346 0.421 20 0 FCADRL Cc1c(C(=O)[O-])csc1NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001600001755 1286421860 /nfs/dbraw/zinc/42/18/60/1286421860.db2.gz XBXUPAVTTFUDDT-UHFFFAOYSA-N -2 0 370.383 0.691 20 0 FCADRL Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001600013080 1286424584 /nfs/dbraw/zinc/42/45/84/1286424584.db2.gz NWFFKQXUCPHZRY-HSZRJFAPSA-N -2 0 371.440 0.955 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1C ZINC001600115341 1286443806 /nfs/dbraw/zinc/44/38/06/1286443806.db2.gz QZIUIFIPMAWZFQ-LBPRGKRZSA-N -2 0 367.383 0.699 20 0 FCADRL Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001600118536 1286444475 /nfs/dbraw/zinc/44/44/75/1286444475.db2.gz AGJMXSIJSMMGNS-PIGZYNQJSA-N -2 0 362.338 0.191 20 0 FCADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC001600123764 1286444523 /nfs/dbraw/zinc/44/45/23/1286444523.db2.gz RKHXAPMGDLKSDF-DGCLKSJQSA-N -2 0 357.384 0.539 20 0 FCADRL Cc1cc(C)n(CCC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC001600179944 1286451180 /nfs/dbraw/zinc/45/11/80/1286451180.db2.gz YEJBATOWPHNDEN-UHFFFAOYSA-N -2 0 358.420 0.048 20 0 FCADRL Cc1cc(C)n(Cc2ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc2)n1 ZINC001600180304 1286451254 /nfs/dbraw/zinc/45/12/54/1286451254.db2.gz KSCWGNPUJUZQBB-UHFFFAOYSA-N -2 0 351.384 0.692 20 0 FCADRL Cc1cc(C)n(CCC(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)n1 ZINC001600179862 1286451414 /nfs/dbraw/zinc/45/14/14/1286451414.db2.gz UQLNJKILDMPSJA-UHFFFAOYSA-N -2 0 355.372 0.995 20 0 FCADRL Cc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)[C@@H]2C(=O)[O-])ccc1C(=O)[O-] ZINC001600292992 1286469386 /nfs/dbraw/zinc/46/93/86/1286469386.db2.gz BHADYKCTLGJCHK-OUJBWJOFSA-N -2 0 357.384 0.944 20 0 FCADRL Cc1cc(S(=O)(=O)NC[C@@H](Cc2ccccn2)C(=O)[O-])oc1C(=O)[O-] ZINC001600299721 1286472343 /nfs/dbraw/zinc/47/23/43/1286472343.db2.gz SCGYNQUVDFVSEU-SNVBAGLBSA-N -2 0 368.367 0.903 20 0 FCADRL Cc1ccc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)cc1C(=O)[O-] ZINC001600480851 1286494648 /nfs/dbraw/zinc/49/46/48/1286494648.db2.gz JLRWUDKNHHAKHW-UHFFFAOYSA-N -2 0 357.384 0.853 20 0 FCADRL Cc1ccccc1COCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001600581745 1286509088 /nfs/dbraw/zinc/50/90/88/1286509088.db2.gz GCKVWIIZMLFJJB-UHFFFAOYSA-N -2 0 370.427 0.669 20 0 FCADRL Cc1ccn2cc(C(=O)[N-]S(=O)(=O)N3CCC(C(=O)[O-])CC3)nc2c1 ZINC001600596477 1286512068 /nfs/dbraw/zinc/51/20/68/1286512068.db2.gz FIYSGIKRHYKOBX-UHFFFAOYSA-N -2 0 366.399 0.414 20 0 FCADRL Cc1cnn(C[C@@H](NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C(=O)[O-])c1 ZINC001600636798 1286518413 /nfs/dbraw/zinc/51/84/13/1286518413.db2.gz NGCRRJXAHXXTCY-GFCCVEGCSA-N -2 0 371.346 0.461 20 0 FCADRL Cc1nc(CNS(=O)(=O)c2cc(C(=O)[O-])ccc2F)sc1C(N)=O ZINC001600701528 1286529270 /nfs/dbraw/zinc/52/92/70/1286529270.db2.gz APLXLKMUAUUKCF-UHFFFAOYSA-N -2 0 373.387 0.866 20 0 FCADRL Cc1nc(COc2ccc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc2)no1 ZINC001600702685 1286529550 /nfs/dbraw/zinc/52/95/50/1286529550.db2.gz MDLARJMAPPRDII-MRVPVSSYSA-N -2 0 369.355 0.490 20 0 FCADRL Cc1nn(-c2cccc(F)c2)cc1C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001600763133 1286540445 /nfs/dbraw/zinc/54/04/45/1286540445.db2.gz FKJSRFZZALIJMU-SECBINFHSA-N -2 0 355.347 0.853 20 0 FCADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001600781640 1286543800 /nfs/dbraw/zinc/54/38/00/1286543800.db2.gz KSMNYCAZTQPERK-NEPJUHHUSA-N -2 0 373.431 0.593 20 0 FCADRL Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001600822846 1286552371 /nfs/dbraw/zinc/55/23/71/1286552371.db2.gz RKZDBFWBUCVNHR-UHFFFAOYSA-N -2 0 370.387 0.554 20 0 FCADRL Cc1sc([C@H]2CCCN2C(=O)C(=O)NCCCC(=O)[O-])nc1C(=O)[O-] ZINC001600877634 1286561218 /nfs/dbraw/zinc/56/12/18/1286561218.db2.gz YBGVNWZRVHEPDZ-SECBINFHSA-N -2 0 369.399 0.794 20 0 FCADRL Cn1c(C(=O)[O-])ccc1C(=O)[N-]S(=O)(=O)N1CCc2sccc2C1 ZINC001600904170 1286566414 /nfs/dbraw/zinc/56/64/14/1286566414.db2.gz RWNJYCBOPYNXGC-UHFFFAOYSA-N -2 0 369.424 0.818 20 0 FCADRL Cn1cc([C@@H](NS(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])C(=O)[O-])cn1 ZINC001600940419 1286575086 /nfs/dbraw/zinc/57/50/86/1286575086.db2.gz LLZDLDQQWGSCQT-LLVKDONJSA-N -2 0 373.774 0.876 20 0 FCADRL Cn1cc(S(=O)(=O)NCCc2ccc(C(=O)[O-])cc2)cc1C(=O)[O-] ZINC001600968733 1286584877 /nfs/dbraw/zinc/58/48/77/1286584877.db2.gz XGGCUEXUVDEHEH-UHFFFAOYSA-N -2 0 352.368 0.943 20 0 FCADRL Cn1cccc(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)c1=O ZINC001600978080 1286587547 /nfs/dbraw/zinc/58/75/47/1286587547.db2.gz HMSPWROCUZRERI-UHFFFAOYSA-N -2 0 350.352 0.343 20 0 FCADRL Cn1ccnc1[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CCO1 ZINC001600984744 1286588389 /nfs/dbraw/zinc/58/83/89/1286588389.db2.gz UDBRPXPEXAWFQM-WPRPVWTQSA-N -2 0 356.360 0.305 20 0 FCADRL Cn1nc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc1Br ZINC001600998526 1286593137 /nfs/dbraw/zinc/59/31/37/1286593137.db2.gz FITPCADFTLSPFI-UHFFFAOYSA-N -2 0 368.209 0.353 20 0 FCADRL Cn1nc(Br)cc1C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001600998328 1286593727 /nfs/dbraw/zinc/59/37/27/1286593727.db2.gz URYVQIKSWWELTO-UHFFFAOYSA-N -2 0 368.209 0.353 20 0 FCADRL Cn1nc(C(=O)[O-])cc1NC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001601003816 1286595540 /nfs/dbraw/zinc/59/55/40/1286595540.db2.gz XKTBCDWTAXKIKJ-LBPRGKRZSA-N -2 0 363.296 0.793 20 0 FCADRL Cn1[n-]c(C(=O)N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1=O ZINC001601012966 1286598827 /nfs/dbraw/zinc/59/88/27/1286598827.db2.gz SCBFZVZTNIHQMY-QMMMGPOBSA-N -2 0 350.356 0.421 20 0 FCADRL Cn1ncc2c1N(Cc1ccc(C(=O)[O-])cc1F)S(=O)(=O)C=C2[O-] ZINC001601032663 1286609022 /nfs/dbraw/zinc/60/90/22/1286609022.db2.gz JUAVIMVLZNKKLW-UHFFFAOYSA-N -2 0 353.331 0.790 20 0 FCADRL Cn1ncc2cc(S(=O)(=O)[N-]C(=O)Cc3cccc(C(=O)[O-])c3)cnc21 ZINC001601031928 1286610211 /nfs/dbraw/zinc/61/02/11/1286610211.db2.gz MFZAFPJLMZFPRF-UHFFFAOYSA-N -2 0 374.378 0.714 20 0 FCADRL Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)c1 ZINC001601044136 1286620137 /nfs/dbraw/zinc/62/01/37/1286620137.db2.gz FJFVOSHEBALQJW-UHFFFAOYSA-N -2 0 360.355 0.771 20 0 FCADRL O=C([O-])[C@@H]1CCCN(CC(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)C1=O ZINC001601313041 1286722437 /nfs/dbraw/zinc/72/24/37/1286722437.db2.gz TWURJLXPSOWCEK-LLVKDONJSA-N -2 0 360.326 0.292 20 0 FCADRL O=C([O-])c1cccc(CC(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)c1 ZINC001601364808 1286734935 /nfs/dbraw/zinc/73/49/35/1286734935.db2.gz MQONSSFDPJUYLF-UHFFFAOYSA-N -2 0 373.337 0.894 20 0 FCADRL O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)c1nc[n-]c(=O)c1Br ZINC001601413307 1286742139 /nfs/dbraw/zinc/74/21/39/1286742139.db2.gz WOVLXFZXFTVMQH-RNFRBKRXSA-N -2 0 360.164 0.697 20 0 FCADRL O=C([O-])[C@H](CNC(=O)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)C1CCC1 ZINC001601450502 1286754401 /nfs/dbraw/zinc/75/44/01/1286754401.db2.gz LQNVKWUGRHXPQJ-HUUCEWRRSA-N -2 0 374.393 0.814 20 0 FCADRL O=C([O-])[C@H]1CC[C@@H](NC(=O)C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)C1 ZINC001601566707 1286785444 /nfs/dbraw/zinc/78/54/44/1286785444.db2.gz FGTHMIDENRVZJW-OPQQBVKSSA-N -2 0 362.338 0.235 20 0 FCADRL O=C([O-])C1CCC(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CC1 ZINC001601798783 1286837346 /nfs/dbraw/zinc/83/73/46/1286837346.db2.gz LOGJFTOSWNBQFA-YVNMAJEFSA-N -2 0 358.420 0.663 20 0 FCADRL O=C([O-])C[C@H](O)CNC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC001601911046 1286868761 /nfs/dbraw/zinc/86/87/61/1286868761.db2.gz SCGVOYIFYQZNPD-VIFPVBQESA-N -2 0 370.305 0.514 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2csc(C(=O)[O-])c2)C1 ZINC001601914425 1286871457 /nfs/dbraw/zinc/87/14/57/1286871457.db2.gz ALJGEJBHECHDGA-GFCCVEGCSA-N -3 0 363.369 0.386 20 0 FCADRL COc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]C(=O)[C@@]1(C)CCCO1 ZINC001609338526 1289107583 /nfs/dbraw/zinc/10/75/83/1289107583.db2.gz GCYABHOIFBABAO-CQSZACIVSA-N -2 0 367.387 0.249 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])CC1 ZINC001601923544 1286871796 /nfs/dbraw/zinc/87/17/96/1286871796.db2.gz BCOZFCPDSAHEAH-LBPRGKRZSA-N -2 0 357.384 0.562 20 0 FCADRL O=C([O-])C[C@@]1(NC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)CCOC1 ZINC001601932209 1286875398 /nfs/dbraw/zinc/87/53/98/1286875398.db2.gz JOJUYOUNIIENJO-ZDUSSCGKSA-N -2 0 364.276 0.822 20 0 FCADRL O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001601964433 1286889328 /nfs/dbraw/zinc/88/93/28/1286889328.db2.gz SYOCKQDXXHVIIQ-SECBINFHSA-N -2 0 370.408 0.830 20 0 FCADRL O=C([O-])C[C@@H]1COCCN1S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001601965143 1286889566 /nfs/dbraw/zinc/88/95/66/1286889566.db2.gz LBMBFUKFRFLWHV-SSDOTTSWSA-N -2 0 364.763 0.297 20 0 FCADRL O=C([O-])CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)C1 ZINC001601975113 1286892020 /nfs/dbraw/zinc/89/20/20/1286892020.db2.gz UVASHSPWSKMKRM-AAEUAGOBSA-N -2 0 354.403 0.707 20 0 FCADRL O=C([O-])CCNC(=O)CC[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC001602019046 1286902765 /nfs/dbraw/zinc/90/27/65/1286902765.db2.gz CLPHXKUXYGROAR-UHFFFAOYSA-N -2 0 354.306 0.363 20 0 FCADRL O=C([O-])CCOc1ccc(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC001602027179 1286907567 /nfs/dbraw/zinc/90/75/67/1286907567.db2.gz SSGWWUGXXFHHDO-UHFFFAOYSA-N -2 0 372.399 0.993 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)c1cc(N2CCCC2=O)ccc1F ZINC001602028699 1286908376 /nfs/dbraw/zinc/90/83/76/1286908376.db2.gz YFZVPWDIZHYWRV-UHFFFAOYSA-N -2 0 358.347 0.487 20 0 FCADRL O=C([O-])CN(CCC(F)(F)F)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001602053363 1286912559 /nfs/dbraw/zinc/91/25/59/1286912559.db2.gz GVDKAEVRPWPHCH-UHFFFAOYSA-N -2 0 360.248 0.915 20 0 FCADRL O=C([O-])CNS(=O)(=O)c1cccc(NC(=O)[C@H](C(=O)[O-])C2CC2)c1 ZINC001602075217 1286928751 /nfs/dbraw/zinc/92/87/51/1286928751.db2.gz LEUIWRZVXHBBED-GFCCVEGCSA-N -2 0 356.356 0.099 20 0 FCADRL O=C([O-])COC1CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC001602076051 1286929351 /nfs/dbraw/zinc/92/93/51/1286929351.db2.gz BDWGXEDBIXYARO-UHFFFAOYSA-N -2 0 357.384 0.568 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC001602097114 1286933674 /nfs/dbraw/zinc/93/36/74/1286933674.db2.gz LFKQOQAPRHONNK-ADEWGFFLSA-N -2 0 374.212 0.865 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001602097180 1286933891 /nfs/dbraw/zinc/93/38/91/1286933891.db2.gz NLXFJGRLKYJODZ-LURJTMIESA-N -2 0 355.294 0.310 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N[C@H](Cc2ncccn2)C(=O)[O-])cc1 ZINC001602132664 1286944094 /nfs/dbraw/zinc/94/40/94/1286944094.db2.gz ZEOLDEDCFVCNLP-GFCCVEGCSA-N -2 0 365.367 0.078 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]C(=O)c2cnn(CCF)c2)cc1F ZINC001602131632 1286944748 /nfs/dbraw/zinc/94/47/48/1286944748.db2.gz DREQMGJKZUMGPI-UHFFFAOYSA-N -2 0 373.337 0.738 20 0 FCADRL O=C([O-])Cc1ccccc1NC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001602148862 1286948827 /nfs/dbraw/zinc/94/88/27/1286948827.db2.gz FDPRAFMCSQKOPQ-QWHCGFSZSA-N -2 0 360.366 0.821 20 0 FCADRL O=C([O-])c1cc(CNC(=O)c2nc[n-]c(=O)c2Br)ccn1 ZINC001602259191 1286976179 /nfs/dbraw/zinc/97/61/79/1286976179.db2.gz VBLJAZGOSUIPMJ-UHFFFAOYSA-N -2 0 353.132 0.968 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)c(Br)o1 ZINC001602288459 1286980737 /nfs/dbraw/zinc/98/07/37/1286980737.db2.gz ARTTXMYNWGHCIC-RXMQYKEDSA-N -2 0 368.161 0.836 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])c(Br)o1 ZINC001602291881 1286983899 /nfs/dbraw/zinc/98/38/99/1286983899.db2.gz WRCWADJCAAOLGK-BYPYZUCNSA-N -2 0 354.134 0.588 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)cc(F)c1F ZINC001602293880 1286984738 /nfs/dbraw/zinc/98/47/38/1286984738.db2.gz UDPZOFNCDSMQTJ-UPONEAKYSA-N -2 0 365.310 0.431 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@]3(CCOC3)C2)cc1 ZINC001602393932 1286993562 /nfs/dbraw/zinc/99/35/62/1286993562.db2.gz FHJCBEXWGVOHDB-IUODEOHRSA-N -2 0 355.368 0.497 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])cn1 ZINC001602398659 1286996432 /nfs/dbraw/zinc/99/64/32/1286996432.db2.gz UGIFJXZBQMYEMD-ZDUSSCGKSA-N -2 0 368.342 0.893 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1C(F)(F)F ZINC001602401641 1286997104 /nfs/dbraw/zinc/99/71/04/1286997104.db2.gz INZBFFGNHYRGPF-MRVPVSSYSA-N -2 0 357.262 0.127 20 0 FCADRL O=C([O-])c1cn([C@@H]2CCCN(C(=O)NC[C@@H](C(=O)[O-])C3CCC3)C2)nn1 ZINC001602494280 1287012637 /nfs/dbraw/zinc/01/26/37/1287012637.db2.gz RFITZGGPCGTCQR-VXGBXAGGSA-N -2 0 365.390 0.824 20 0 FCADRL O=C([O-])c1cnc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cn1 ZINC001602509247 1287020472 /nfs/dbraw/zinc/02/04/72/1287020472.db2.gz WDNPCCCQLSRFCI-UHFFFAOYSA-N -2 0 365.323 0.065 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)[C@@H]1CCc2ncncc2C1 ZINC001602583497 1287031198 /nfs/dbraw/zinc/03/11/98/1287031198.db2.gz NKLFKXQDLFELTJ-SSDOTTSWSA-N -2 0 368.396 0.241 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1ncn(Cc2cccnc2)n1 ZINC001602584580 1287032271 /nfs/dbraw/zinc/03/22/71/1287032271.db2.gz HSWQNNQQYUZHHZ-UHFFFAOYSA-N -2 0 366.384 0.677 20 0 FCADRL O=C([O-])[C@]1(N2CCN(C(=O)c3cc(F)c([O-])c(F)c3)CC2)CCOC1 ZINC001602623027 1287036912 /nfs/dbraw/zinc/03/69/12/1287036912.db2.gz SIKZXJGGQXRLQU-INIZCTEOSA-N -2 0 356.325 0.672 20 0 FCADRL O=C([O-])[C@@]1(N2CCN(C(=O)c3cc(F)c([O-])c(F)c3)CC2)CCOC1 ZINC001602623028 1287037609 /nfs/dbraw/zinc/03/76/09/1287037609.db2.gz SIKZXJGGQXRLQU-MRXNPFEDSA-N -2 0 356.325 0.672 20 0 FCADRL CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)C1 ZINC001603016002 1287185575 /nfs/dbraw/zinc/18/55/75/1287185575.db2.gz FWVHXRFBTZKDDJ-AWEZNQCLSA-N -2 0 358.372 0.350 20 0 FCADRL CO[C@H](C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)[O-])C1CC1 ZINC001605008415 1287835960 /nfs/dbraw/zinc/83/59/60/1287835960.db2.gz SULICYNHIYCVEN-WCBMZHEXSA-N -2 0 371.375 0.006 20 0 FCADRL COC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[nH]n1 ZINC001605047921 1287855931 /nfs/dbraw/zinc/85/59/31/1287855931.db2.gz GXCZWOGZOCVQGP-WDEREUQCSA-N -2 0 367.431 0.731 20 0 FCADRL CCOc1cccc2c1OCC(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])=C2 ZINC001605709883 1288056078 /nfs/dbraw/zinc/05/60/78/1288056078.db2.gz XZVFTMUTAJQKJU-UHFFFAOYSA-N -2 0 355.368 0.782 20 0 FCADRL CCn1nncc1C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001605946843 1288107378 /nfs/dbraw/zinc/10/73/78/1288107378.db2.gz IIBAOUHTCUJEOL-UHFFFAOYSA-N -2 0 368.371 0.052 20 0 FCADRL CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])n2)cn1C ZINC001606003212 1288127231 /nfs/dbraw/zinc/12/72/31/1288127231.db2.gz QGJKNHGUALTHQK-UHFFFAOYSA-N -2 0 366.399 0.550 20 0 FCADRL CN1C(=O)c2ccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])cc2C1=O ZINC001606195072 1288206029 /nfs/dbraw/zinc/20/60/29/1288206029.db2.gz IMKPWIZQPMXWMW-UHFFFAOYSA-N -2 0 367.364 0.868 20 0 FCADRL COC(=O)C1(NS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CCSCC1 ZINC001606354809 1288269969 /nfs/dbraw/zinc/26/99/69/1288269969.db2.gz VWWVKHGDCRZADZ-QWRGUYRKSA-N -2 0 365.473 0.988 20 0 FCADRL COC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001606401256 1288287660 /nfs/dbraw/zinc/28/76/60/1288287660.db2.gz UMMBIMSMIPZQEE-DTWKUNHWSA-N -2 0 359.356 0.762 20 0 FCADRL COC(=O)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-])C(=O)[O-] ZINC001606478452 1288338882 /nfs/dbraw/zinc/33/88/82/1288338882.db2.gz KOJKPVAAGJYZFW-QMMMGPOBSA-N -2 0 365.747 0.333 20 0 FCADRL COC(=O)N1CCC(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])CC1 ZINC001606489638 1288342006 /nfs/dbraw/zinc/34/20/06/1288342006.db2.gz CVSWZWXEZIABHT-BDAKNGLRSA-N -2 0 350.393 0.020 20 0 FCADRL COC(=O)c1c(C)nn(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001606525610 1288363020 /nfs/dbraw/zinc/36/30/20/1288363020.db2.gz WJHSEVRPMRBDIM-UHFFFAOYSA-N -2 0 356.360 0.353 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H](CC2CC2)C(=O)[O-])c1 ZINC001606531205 1288366549 /nfs/dbraw/zinc/36/65/49/1288366549.db2.gz CKNAWQJPAXWCHX-GFCCVEGCSA-N -2 0 371.367 0.703 20 0 FCADRL COC(=O)c1cc(NC(=O)C(=O)[N-]OCC2CCC2)ccc1C(=O)[O-] ZINC001606548464 1288376955 /nfs/dbraw/zinc/37/69/55/1288376955.db2.gz WNAPZAGQBBNATK-UHFFFAOYSA-N -2 0 350.327 0.958 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2c(C(=O)[O-])c(C)nn2C)c(C)o1 ZINC001606570473 1288391194 /nfs/dbraw/zinc/39/11/94/1288391194.db2.gz MNAVXPAQRZDOFK-UHFFFAOYSA-N -2 0 357.344 0.916 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N(CC(=O)[O-])C(C)C)c1 ZINC001606580224 1288394508 /nfs/dbraw/zinc/39/45/08/1288394508.db2.gz ZDEHHHMMHKPKSU-UHFFFAOYSA-N -2 0 359.356 0.655 20 0 FCADRL COC(=O)c1cnccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001606629750 1288415546 /nfs/dbraw/zinc/41/55/46/1288415546.db2.gz QFDWKYCKXQPFCU-UHFFFAOYSA-N -2 0 354.315 0.928 20 0 FCADRL COC(=O)c1cnccc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001606629958 1288415554 /nfs/dbraw/zinc/41/55/54/1288415554.db2.gz RLWUYZSFFJSCCG-UHFFFAOYSA-N -2 0 350.352 0.718 20 0 FCADRL COC(=O)c1coc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC001606631016 1288415952 /nfs/dbraw/zinc/41/59/52/1288415952.db2.gz NPCYGRYJDPXSPA-BDAKNGLRSA-N -2 0 359.356 0.762 20 0 FCADRL CO[C@H](C[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)[O-])C1CC1 ZINC001606668018 1288431322 /nfs/dbraw/zinc/43/13/22/1288431322.db2.gz GPZSLDGAFGRCHW-CHWSQXEVSA-N -2 0 357.384 0.931 20 0 FCADRL CO[C@H](CNS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1)CC(=O)[O-] ZINC001606679359 1288435903 /nfs/dbraw/zinc/43/59/03/1288435903.db2.gz FIXRVKBZUGWUCA-NSHDSACASA-N -2 0 357.384 0.571 20 0 FCADRL CO[C@@H]1CN(S(=O)(=O)c2scnc2C(=O)[O-])[C@](C)(C(=O)[O-])C1 ZINC001606770681 1288503828 /nfs/dbraw/zinc/50/38/28/1288503828.db2.gz LSUVXEVNDVNSON-KGFZYKRKSA-N -2 0 350.374 0.094 20 0 FCADRL COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)C1 ZINC001606834856 1288534274 /nfs/dbraw/zinc/53/42/74/1288534274.db2.gz ZWEFMCNCDLRBQT-HNNXBMFYSA-N -2 0 373.383 0.505 20 0 FCADRL COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)C1 ZINC001606834857 1288534529 /nfs/dbraw/zinc/53/45/29/1288534529.db2.gz ZWEFMCNCDLRBQT-OAHLLOKOSA-N -2 0 373.383 0.505 20 0 FCADRL COCC[C@@H](NS(=O)(=O)c1cc(COC)cc(C(=O)[O-])c1)C(=O)[O-] ZINC001606862708 1288542471 /nfs/dbraw/zinc/54/24/71/1288542471.db2.gz CJFAJGBWLMZEDX-GFCCVEGCSA-N -2 0 361.372 0.299 20 0 FCADRL COCc1ccc(OC)c(S(=O)(=O)[N-]c2nnc(CC(=O)[O-])[nH]2)c1 ZINC001606963793 1288577307 /nfs/dbraw/zinc/57/73/07/1288577307.db2.gz WEJSIYIVFNBZOH-UHFFFAOYSA-N -2 0 356.360 0.388 20 0 FCADRL O=S(=O)([N-]c1nc(C(F)(F)F)c[nH]1)c1ccc(-c2nn[nH]n2)nc1 ZINC001607069567 1288641292 /nfs/dbraw/zinc/64/12/92/1288641292.db2.gz IBEJVWHAZQGOBF-UHFFFAOYSA-N -2 0 360.281 0.804 20 0 FCADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccnc(OCCO)c1 ZINC001607142837 1288672982 /nfs/dbraw/zinc/67/29/82/1288672982.db2.gz MUPXNQYEOAJYTD-UHFFFAOYSA-N -2 0 368.367 0.960 20 0 FCADRL COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)c1n[nH]c(=O)[n-]1)CC2 ZINC001607193190 1288683265 /nfs/dbraw/zinc/68/32/65/1288683265.db2.gz HURBNZMHEQNDNO-JTQLQIEISA-N -2 0 362.342 0.742 20 0 FCADRL COc1ccc(S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-])cc1C(=O)[O-] ZINC001607284712 1288693115 /nfs/dbraw/zinc/69/31/15/1288693115.db2.gz PLVZCNOWVGIEQL-SECBINFHSA-N -2 0 361.372 0.240 20 0 FCADRL Cc1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)oc1C(=O)[O-] ZINC001607702988 1288734964 /nfs/dbraw/zinc/73/49/64/1288734964.db2.gz QBJIRAFLJCVTKJ-RNFRBKRXSA-N -2 0 353.299 0.873 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-][C@H]([C@@H]2CCOC2)C(F)(F)F)c1C(=O)[O-] ZINC001607939642 1288749394 /nfs/dbraw/zinc/74/93/94/1288749394.db2.gz DRAIOJAPFYAKDU-HTRCEHHLSA-N -2 0 357.310 0.662 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cn2)c1C(=O)[O-] ZINC001607938436 1288749753 /nfs/dbraw/zinc/74/97/53/1288749753.db2.gz QEKVQCCWWLKOLL-UHFFFAOYSA-N -2 0 353.360 0.314 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC2)c(Br)n1C ZINC001607967746 1288753127 /nfs/dbraw/zinc/75/31/27/1288753127.db2.gz CAAMMOXEHBZEES-UHFFFAOYSA-N -2 0 366.193 0.161 20 0 FCADRL Cn1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c(-c2cccnc2)n1 ZINC001608098547 1288767924 /nfs/dbraw/zinc/76/79/24/1288767924.db2.gz MSPZXMMLQMWNJW-UHFFFAOYSA-N -2 0 352.372 0.407 20 0 FCADRL Cn1cc(C[C@H](CNS(=O)(=O)CC2(C(=O)[O-])CCCC2)C(=O)[O-])cn1 ZINC001608109220 1288770426 /nfs/dbraw/zinc/77/04/26/1288770426.db2.gz AAOICQWJJJHDQH-GFCCVEGCSA-N -2 0 373.431 0.228 20 0 FCADRL Cn1cnnc1-c1cncc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC001608137510 1288778744 /nfs/dbraw/zinc/77/87/44/1288778744.db2.gz NLGBCQYSKGWWOB-UHFFFAOYSA-N -2 0 366.384 0.833 20 0 FCADRL Cn1ncc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC001608156374 1288783395 /nfs/dbraw/zinc/78/33/95/1288783395.db2.gz NGDOLWRDUMHJPY-UHFFFAOYSA-N -2 0 365.371 0.110 20 0 FCADRL Cn1nccc1COCC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001608165015 1288785402 /nfs/dbraw/zinc/78/54/02/1288785402.db2.gz FBFNQMRQNZWQIG-UHFFFAOYSA-N -2 0 367.383 0.281 20 0 FCADRL NC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC001608236905 1288798946 /nfs/dbraw/zinc/79/89/46/1288798946.db2.gz LEAAVZHGSYTAPP-GFCCVEGCSA-N -2 0 369.399 0.122 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]C(=O)CCCn2ccccc2=O)c1 ZINC001608307370 1288816157 /nfs/dbraw/zinc/81/61/57/1288816157.db2.gz YQQNTNGVVGJNAL-UHFFFAOYSA-N -2 0 354.340 0.425 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)COCc2ccccn2)c1 ZINC001608348380 1288827534 /nfs/dbraw/zinc/82/75/34/1288827534.db2.gz NEZRTWOLEKCJLR-UHFFFAOYSA-N -2 0 364.379 0.943 20 0 FCADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C(=O)Cn2ccccc2=O)c1F ZINC001608380443 1288833345 /nfs/dbraw/zinc/83/33/45/1288833345.db2.gz ISUXXZYZUBRMSG-UHFFFAOYSA-N -2 0 372.305 0.330 20 0 FCADRL O=C([O-])c1ccc(CNC(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC001608464983 1288846331 /nfs/dbraw/zinc/84/63/31/1288846331.db2.gz JZAGIBSAMXMNHT-UONOGXRCSA-N -2 0 360.366 0.570 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(F)(F)F)c2)CC1 ZINC001608484121 1288849463 /nfs/dbraw/zinc/84/94/63/1288849463.db2.gz FFYOFMCDIGLDAM-UHFFFAOYSA-N -2 0 369.321 0.805 20 0 FCADRL O=C([O-])CCCO[N-]C(=O)C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC001608715770 1288868165 /nfs/dbraw/zinc/86/81/65/1288868165.db2.gz FHJHUGDJHSFUBP-UHFFFAOYSA-N -2 0 373.365 0.748 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001608718273 1288868917 /nfs/dbraw/zinc/86/89/17/1288868917.db2.gz GSVJKDVYVOPWJW-UHFFFAOYSA-N -2 0 365.310 0.861 20 0 FCADRL O=C([O-])CCN(CCO)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC001608721673 1288870384 /nfs/dbraw/zinc/87/03/84/1288870384.db2.gz MQFQIGVCHGRKNM-UHFFFAOYSA-N -2 0 351.764 0.496 20 0 FCADRL O=C([O-])CN(CCN1CCOCC1)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001608745619 1288872962 /nfs/dbraw/zinc/87/29/62/1288872962.db2.gz AWKRREXQVSLMAV-UHFFFAOYSA-N -2 0 365.411 0.976 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)on1 ZINC001608860858 1288877208 /nfs/dbraw/zinc/87/72/08/1288877208.db2.gz DKNVVIYJFYMWHV-XHDPSFHLSA-N -2 0 370.358 0.956 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCN(C3CCCCC3)C2=O)on1 ZINC001608860561 1288877984 /nfs/dbraw/zinc/87/79/84/1288877984.db2.gz QPFLKSRJULYOMJ-NSHDSACASA-N -2 0 371.415 0.975 20 0 FCADRL O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C[C@H]1C(F)F ZINC001609572405 1289234368 /nfs/dbraw/zinc/23/43/68/1289234368.db2.gz VYILGQIOOVPBIM-PHDIDXHHSA-N -2 0 363.302 0.046 20 0 FCADRL O=C([O-])CCCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001609571886 1289234505 /nfs/dbraw/zinc/23/45/05/1289234505.db2.gz GKGRBUVBOZSBLB-UHFFFAOYSA-N -2 0 361.330 0.678 20 0 FCADRL O=C([O-])Cc1ccccc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609572430 1289234628 /nfs/dbraw/zinc/23/46/28/1289234628.db2.gz XIMUKFPFFKQAED-UHFFFAOYSA-N -2 0 363.355 0.565 20 0 FCADRL CC(=O)Nc1cccc(CC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001609625036 1289267678 /nfs/dbraw/zinc/26/76/78/1289267678.db2.gz IAOPULFWKPNEPE-NXEZZACHSA-N -2 0 356.400 0.743 20 0 FCADRL CC(=O)c1ccccc1NC(=C(F)C(=O)[O-])c1c([O-])[nH]c(=S)[nH]c1=O ZINC001609630584 1289268311 /nfs/dbraw/zinc/26/83/11/1289268311.db2.gz UUUVZAZZBJMWJH-JTQLQIEISA-N -2 0 365.342 0.509 20 0 FCADRL C[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])N1CCc2ccccc2C1 ZINC001609635744 1289269914 /nfs/dbraw/zinc/26/99/14/1289269914.db2.gz FCFJBRZTQMCMHS-LBPRGKRZSA-N -2 0 354.428 0.744 20 0 FCADRL C[C@@H](C(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001609635814 1289269929 /nfs/dbraw/zinc/26/99/29/1289269929.db2.gz IUKHEBCRHRTYKL-QMMMGPOBSA-N -2 0 355.347 0.726 20 0 FCADRL CC(C)n1cnnc1SCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001609638458 1289270014 /nfs/dbraw/zinc/27/00/14/1289270014.db2.gz GKHOIJZRYNGSST-BDAKNGLRSA-N -2 0 364.449 0.506 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCCNC(=O)C(C)(C)C ZINC001609638207 1289270122 /nfs/dbraw/zinc/27/01/22/1289270122.db2.gz BWMWFWVPICDGMG-ZJUUUORDSA-N -2 0 350.437 0.484 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCCNC(=O)c1cccnc1 ZINC001609638327 1289270204 /nfs/dbraw/zinc/27/02/04/1289270204.db2.gz DIQDZHAZXLSPPB-MNOVXSKESA-N -2 0 371.415 0.147 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(C(=O)N(C)C)c1 ZINC001609638922 1289270551 /nfs/dbraw/zinc/27/05/51/1289270551.db2.gz OHIPATNKNISQCY-NXEZZACHSA-N -2 0 356.400 0.557 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC(C)(C)C)cn1 ZINC001609644091 1289272248 /nfs/dbraw/zinc/27/22/48/1289272248.db2.gz VGTGXWUPWGEJSC-QMMMGPOBSA-N -2 0 358.372 0.570 20 0 FCADRL CC(C)(C)C(=O)NCC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001609653292 1289274119 /nfs/dbraw/zinc/27/41/19/1289274119.db2.gz GRYIHCCONZASOJ-UHFFFAOYSA-N -2 0 356.400 0.493 20 0 FCADRL CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001609702034 1289282377 /nfs/dbraw/zinc/28/23/77/1289282377.db2.gz DAOWVQNQJLMVKM-UWVGGRQHSA-N -2 0 350.437 0.483 20 0 FCADRL CC(C)NC(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1 ZINC001609707406 1289283895 /nfs/dbraw/zinc/28/38/95/1289283895.db2.gz IJAREWJVZAQNLR-SECBINFHSA-N -2 0 357.388 0.749 20 0 FCADRL C[C@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001609760597 1289293786 /nfs/dbraw/zinc/29/37/86/1289293786.db2.gz DNLWIRIGAQILKJ-ZETCQYMHSA-N -2 0 362.429 0.802 20 0 FCADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCc2cccc(C(=O)[O-])c2)C1 ZINC001609839602 1289310181 /nfs/dbraw/zinc/31/01/81/1289310181.db2.gz LQZPDISRVKPEHM-SMDDNHRTSA-N -2 0 362.382 0.613 20 0 FCADRL C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C[C@@H]1C(=O)[O-] ZINC001609857937 1289313049 /nfs/dbraw/zinc/31/30/49/1289313049.db2.gz XLQFQIJSJXEFSG-SKDRFNHKSA-N -2 0 366.345 0.961 20 0 FCADRL C[C@@H]1CCN(C(=O)C(=O)NCCc2cccc(C(=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC001609856198 1289313062 /nfs/dbraw/zinc/31/30/62/1289313062.db2.gz IAZMOLCLZOQSNA-BXUZGUMPSA-N -2 0 362.382 0.613 20 0 FCADRL C[C@@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)c3scnc3C(=O)[O-])c2C1 ZINC001609862413 1289314310 /nfs/dbraw/zinc/31/43/10/1289314310.db2.gz GRKRBLCYGJMGAS-SSDOTTSWSA-N -2 0 370.412 0.739 20 0 FCADRL C[C@H]1Cc2cccc(C(=O)[N-]S(=O)(=O)N3CCC(C(=O)[O-])CC3)c2O1 ZINC001609877863 1289323025 /nfs/dbraw/zinc/32/30/25/1289323025.db2.gz YZGFXQGBAZIAGU-JTQLQIEISA-N -2 0 368.411 0.781 20 0 FCADRL CCC[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)C(=O)[O-] ZINC001609958321 1289333398 /nfs/dbraw/zinc/33/33/98/1289333398.db2.gz PDQAUDRQPARDCF-GHMZBOCLSA-N -2 0 365.791 0.931 20 0 FCADRL CCOc1cccc(CNC(=O)CS(=O)(=O)c2ncc(C(=O)[O-])[n-]2)c1 ZINC001610044142 1289356506 /nfs/dbraw/zinc/35/65/06/1289356506.db2.gz CQFPMBUBUSRHOP-UHFFFAOYSA-N -2 0 367.383 0.597 20 0 FCADRL CC[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C(=O)[O-] ZINC001610050522 1289358596 /nfs/dbraw/zinc/35/85/96/1289358596.db2.gz PBUASPLMNRKQOA-SSDOTTSWSA-N -2 0 360.269 0.904 20 0 FCADRL CCc1c(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cnn1-c1ccccn1 ZINC001610053669 1289360046 /nfs/dbraw/zinc/36/00/46/1289360046.db2.gz CGCRTXYYRSHXLG-VIFPVBQESA-N -2 0 352.372 0.362 20 0 FCADRL CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC001610093868 1289367875 /nfs/dbraw/zinc/36/78/75/1289367875.db2.gz IICKULIMPHHXRC-UHFFFAOYSA-N -2 0 371.350 0.004 20 0 FCADRL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])[nH]2)cc1 ZINC001610144852 1289397053 /nfs/dbraw/zinc/39/70/53/1289397053.db2.gz IMIBLDKPJNGASU-UHFFFAOYSA-N -2 0 351.340 0.191 20 0 FCADRL CO[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)CC(=O)[O-] ZINC001610229219 1289432401 /nfs/dbraw/zinc/43/24/01/1289432401.db2.gz QJFGCTIIZYLXOS-QMMMGPOBSA-N -2 0 351.764 0.806 20 0 FCADRL COC[C@@H](NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)C(=O)[O-] ZINC001610246416 1289436496 /nfs/dbraw/zinc/43/64/96/1289436496.db2.gz MGGVWBJQBGMVSP-LLVKDONJSA-N -2 0 351.384 0.291 20 0 FCADRL COCc1ccccc1CNC(=O)CS(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001610273288 1289447385 /nfs/dbraw/zinc/44/73/85/1289447385.db2.gz XMNFOACVTFHPDS-UHFFFAOYSA-N -2 0 367.383 0.344 20 0 FCADRL COc1cc(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])ccc1C(=O)[O-] ZINC001610305945 1289456699 /nfs/dbraw/zinc/45/66/99/1289456699.db2.gz GZMAJTOQDYEAJY-CQSZACIVSA-N -2 0 361.372 0.145 20 0 FCADRL COc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CC2)c(OC)c1C(=O)[O-] ZINC001610345856 1289466528 /nfs/dbraw/zinc/46/65/28/1289466528.db2.gz LWHHFELYTDVRRS-UHFFFAOYSA-N -2 0 359.356 0.640 20 0 FCADRL COc1ncnc(N(C)C)c1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001610373231 1289473271 /nfs/dbraw/zinc/47/32/71/1289473271.db2.gz RFZLMDRIWPQEAP-UHFFFAOYSA-N -2 0 353.360 0.445 20 0 FCADRL CSc1nc(C)c(CCC(=O)[N-]S(=O)(=O)CCC(=O)[O-])c(C)n1 ZINC001610389652 1289477603 /nfs/dbraw/zinc/47/76/03/1289477603.db2.gz SMODUQKZAAOZTE-UHFFFAOYSA-N -2 0 361.445 0.669 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])nnn1-c1ccccc1Cl ZINC001610407523 1289481050 /nfs/dbraw/zinc/48/10/50/1289481050.db2.gz HEHSZZOMGUWRDB-MRVPVSSYSA-N -2 0 372.790 0.762 20 0 FCADRL Cc1cc(F)c(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cc1C(=O)[O-] ZINC001610469657 1289491126 /nfs/dbraw/zinc/49/11/26/1289491126.db2.gz BVTVSLIPVMXSDZ-LLVKDONJSA-N -2 0 371.346 0.530 20 0 FCADRL Cc1c([C@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)C(=O)[O-])cnn1C ZINC001610489960 1289495327 /nfs/dbraw/zinc/49/53/27/1289495327.db2.gz QXNGFDVEGYPJGB-ZDUSSCGKSA-N -2 0 367.383 0.839 20 0 FCADRL Cc1cnn(C[C@H](NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)C(=O)[O-])c1 ZINC001610541205 1289504918 /nfs/dbraw/zinc/50/49/18/1289504918.db2.gz AECOFISPTGRFES-ZDUSSCGKSA-N -2 0 367.383 0.630 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc([C@H]3CCCO3)nn2C)c1C(=O)[O-] ZINC001610550078 1289506926 /nfs/dbraw/zinc/50/69/26/1289506926.db2.gz WQFGRCLMSBGNRZ-SECBINFHSA-N -2 0 355.376 0.802 20 0 FCADRL Cc1nn(CC(F)(F)F)c(C)c1CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001610570201 1289513870 /nfs/dbraw/zinc/51/38/70/1289513870.db2.gz FNVSBHDVGHVJCE-MRVPVSSYSA-N -2 0 371.337 0.524 20 0 FCADRL Cn1cc(C[C@@H](NS(=O)(=O)Cc2ccccc2C(=O)[O-])C(=O)[O-])cn1 ZINC001610603284 1289524059 /nfs/dbraw/zinc/52/40/59/1289524059.db2.gz GOLAZOUGOKWEPJ-CYBMUJFWSA-N -2 0 367.383 0.234 20 0 FCADRL Cn1cc(NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)cc1C(=O)[O-] ZINC001610605149 1289524919 /nfs/dbraw/zinc/52/49/19/1289524919.db2.gz VIWDNGXTEZWUKY-UHFFFAOYSA-N -2 0 373.337 0.919 20 0 FCADRL Cn1cnc2c1nccc2C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001610611070 1289527716 /nfs/dbraw/zinc/52/77/16/1289527716.db2.gz CTGBZRKXOKDJHQ-UHFFFAOYSA-N -2 0 374.378 0.926 20 0 FCADRL Cn1cncc1[C@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C[C@@H]1C(=O)[O-] ZINC001610611476 1289528078 /nfs/dbraw/zinc/52/80/78/1289528078.db2.gz JCMYMJSSMCEGLK-QWRGUYRKSA-N -2 0 371.415 0.105 20 0 FCADRL Cn1ncc2cc(S(=O)(=O)[N-]C(=O)c3cccc(CC(=O)[O-])c3)cnc21 ZINC001610615245 1289530150 /nfs/dbraw/zinc/53/01/50/1289530150.db2.gz PHOJBPKYWNPYHL-UHFFFAOYSA-N -2 0 374.378 0.714 20 0 FCADRL Cn1nccc1[C@@H](NS(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC001610616037 1289530947 /nfs/dbraw/zinc/53/09/47/1289530947.db2.gz BGJMZBXGDZGYRT-GFCCVEGCSA-N -2 0 353.356 0.364 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001610701384 1289560159 /nfs/dbraw/zinc/56/01/59/1289560159.db2.gz HNGLTPTXPQABAP-UHFFFAOYSA-N -2 0 368.352 0.313 20 0 FCADRL O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC001610701588 1289560475 /nfs/dbraw/zinc/56/04/75/1289560475.db2.gz MIFPWYOYRXPQHY-NSHDSACASA-N -2 0 359.367 0.773 20 0 FCADRL O=C([O-])[C@@H]1CN(C(=O)C(=O)[N-]O[C@@H]2CCCCO2)c2ccccc2O1 ZINC001610699463 1289560805 /nfs/dbraw/zinc/56/08/05/1289560805.db2.gz BLJPUYWMLONLNK-QWHCGFSZSA-N -2 0 350.327 0.440 20 0 FCADRL O=C([O-])C1(c2ccc(S(=O)(=O)[N-]c3cnn(CCO)c3)cc2)CC1 ZINC001610729781 1289569715 /nfs/dbraw/zinc/56/97/15/1289569715.db2.gz PAHILGFGCKHFHU-UHFFFAOYSA-N -2 0 351.384 0.792 20 0 FCADRL O=C([O-])[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3n[nH]nc3c2)C1 ZINC001610740731 1289574053 /nfs/dbraw/zinc/57/40/53/1289574053.db2.gz DTIZDBKUJFKLTQ-IUCAKERBSA-N -2 0 352.372 0.654 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)Cc2ccccc2)CC1 ZINC001610755496 1289579270 /nfs/dbraw/zinc/57/92/70/1289579270.db2.gz UTWKGQSAEJDQPQ-JSGCOSHPSA-N -2 0 371.411 0.218 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1scnc1Br ZINC001610771672 1289586154 /nfs/dbraw/zinc/58/61/54/1289586154.db2.gz QNDNJPPXJVDFHH-UHFFFAOYSA-N -2 0 357.207 0.830 20 0 FCADRL O=C([O-])C[N@@H+]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC001610781802 1289590204 /nfs/dbraw/zinc/59/02/04/1289590204.db2.gz KOTQBEJSJLGLTK-UHFFFAOYSA-N -2 0 360.363 0.305 20 0 FCADRL O=C([O-])COC1CCN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])CC1 ZINC001610784975 1289592271 /nfs/dbraw/zinc/59/22/71/1289592271.db2.gz DXOQFFSANQUKOQ-UHFFFAOYSA-N -2 0 361.347 0.778 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]C(=O)CCCn2cccn2)cc1F ZINC001610793862 1289595440 /nfs/dbraw/zinc/59/54/40/1289595440.db2.gz UWHFUKHLBXVFKK-UHFFFAOYSA-N -2 0 369.374 0.935 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2nnc(-c3ccc(F)cc3)o2)cn1 ZINC001610801600 1289598221 /nfs/dbraw/zinc/59/82/21/1289598221.db2.gz ZHAIFUVHKGDLEP-UHFFFAOYSA-N -2 0 367.318 0.958 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c(Cl)cc1Cl ZINC001610816705 1289600469 /nfs/dbraw/zinc/60/04/69/1289600469.db2.gz IHRCNBOEWXYAER-QMMMGPOBSA-N -2 0 372.182 0.806 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnc3ncnn32)c(F)cc1F ZINC001610816954 1289601261 /nfs/dbraw/zinc/60/12/61/1289601261.db2.gz GHDGOHUAIBDANL-UHFFFAOYSA-N -2 0 355.282 0.902 20 0 FCADRL O=C([O-])c1ccccc1CS(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC001610854194 1289606818 /nfs/dbraw/zinc/60/68/18/1289606818.db2.gz RINBYCXLKPQZJV-ZWNOBZJWSA-N -2 0 357.384 0.372 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)NC[C@@H](Cc1cccnc1)C(=O)[O-] ZINC001610871336 1289614222 /nfs/dbraw/zinc/61/42/22/1289614222.db2.gz HQIZRFVXBRUNBS-SECBINFHSA-N -2 0 371.396 0.458 20 0 FCADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cnn(-c2ccccn2)c1C(F)(F)F ZINC001625339913 1290336114 /nfs/dbraw/zinc/33/61/14/1290336114.db2.gz LDBPJEVJABXYIL-UHFFFAOYSA-N -2 0 355.236 0.673 20 0 FCADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC001625340007 1290336322 /nfs/dbraw/zinc/33/63/22/1290336322.db2.gz OLZOYOBKPBDKDM-UHFFFAOYSA-N -2 0 373.226 0.812 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)N[C@H](c2nnn[n-]2)c2ccccc2)cc1=O ZINC001630784064 1290699758 /nfs/dbraw/zinc/69/97/58/1290699758.db2.gz XTODHQCKXBLKGO-INIZCTEOSA-N -2 0 355.402 0.794 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000391207765 836056604 /nfs/dbraw/zinc/05/66/04/836056604.db2.gz UPLKYPZAAWJNIK-SSDOTTSWSA-N -2 0 350.280 0.330 20 0 FCADRL CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC000745978810 836158728 /nfs/dbraw/zinc/15/87/28/836158728.db2.gz MQOPDAZYQGZTRE-UHFFFAOYSA-N -2 0 370.362 0.609 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)c1F ZINC000749142237 836343701 /nfs/dbraw/zinc/34/37/01/836343701.db2.gz LEZGKCXQGABGHA-UHFFFAOYSA-N -2 0 356.335 0.315 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)c1F ZINC000749140352 836344097 /nfs/dbraw/zinc/34/40/97/836344097.db2.gz DNGOULRUSMTDNU-UHFFFAOYSA-N -2 0 356.335 0.315 20 0 FCADRL O=C(NCc1nnn[n-]1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC001143974261 849505323 /nfs/dbraw/zinc/50/53/23/849505323.db2.gz GYYPITVDHZDQEW-UHFFFAOYSA-N -2 0 364.412 0.992 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])C1=CN2C(=CC=C[C@H]2C(F)(F)F)N1 ZINC001148013247 849599831 /nfs/dbraw/zinc/59/98/31/849599831.db2.gz RQWMDVFGPCWIIE-QMMMGPOBSA-N -2 0 355.209 0.301 20 0 FCADRL CNC(=O)c1cccnc1NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148917807 849620640 /nfs/dbraw/zinc/62/06/40/849620640.db2.gz YITAWEHZWIFYOJ-UHFFFAOYSA-N -2 0 351.340 0.646 20 0 FCADRL C[C@H]1[C@H](NC(=O)c2cc3cccc(O)c3cc2O)C(=O)N1S(=O)(=O)[O-] ZINC001149652950 849643638 /nfs/dbraw/zinc/64/36/38/849643638.db2.gz BISVGWWZCCYBJM-CPFSXVBKSA-N -2 0 366.351 0.383 20 0 FCADRL COC(=O)c1c[nH]c2nc(Cl)nc(NCCOP(=O)([O-])[O-])c12 ZINC001157795832 849995816 /nfs/dbraw/zinc/99/58/16/849995816.db2.gz NMAURTDDNSNMPN-UHFFFAOYSA-N -2 0 350.655 0.871 20 0 FCADRL CCc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C(N)=O)nn1C ZINC001184670849 851317934 /nfs/dbraw/zinc/31/79/34/851317934.db2.gz VDWIGDAWFKXCFM-UHFFFAOYSA-N -2 0 366.399 0.889 20 0 FCADRL O=C1[N-]S(=O)(=O)c2cc([N-]S(=O)(=O)c3cccnc3Cl)ccc21 ZINC001184875617 851324910 /nfs/dbraw/zinc/32/49/10/851324910.db2.gz WFMWTNIAQXTDFO-UHFFFAOYSA-N -2 0 373.799 0.968 20 0 FCADRL CNC(=O)c1nccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187553097 851577181 /nfs/dbraw/zinc/57/71/81/851577181.db2.gz ISCPFINHKMVLBC-UHFFFAOYSA-N -2 0 370.774 0.989 20 0 FCADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(NS(=O)(=O)C2CCC2)c1 ZINC001188137686 851653437 /nfs/dbraw/zinc/65/34/37/851653437.db2.gz XVPOHYWDIIYDPK-UHFFFAOYSA-N -2 0 371.414 0.474 20 0 FCADRL Cn1cc2c(n1)[C@H](CNC(=O)c1ccccc1OP(=O)([O-])[O-])OCC2 ZINC001189899688 851839375 /nfs/dbraw/zinc/83/93/75/851839375.db2.gz GCLMABUXVAIUDP-ZDUSSCGKSA-N -2 0 367.298 0.935 20 0 FCADRL Nc1cnc(Cl)c(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)n1 ZINC001189914844 851841878 /nfs/dbraw/zinc/84/18/78/851841878.db2.gz NVMNXFUYTOYTJV-UHFFFAOYSA-N -2 0 372.746 0.909 20 0 FCADRL COC(=O)[C@@H]1CC[C@@H](NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)C1 ZINC001189934394 851845372 /nfs/dbraw/zinc/84/53/72/851845372.db2.gz SZIVSQZKNPKKGP-LDYMZIIASA-N -2 0 371.367 0.703 20 0 FCADRL Cc1cc(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)n(N)c(=O)c1 ZINC001189932314 851845406 /nfs/dbraw/zinc/84/54/06/851845406.db2.gz APDKBCXQCABBEY-UHFFFAOYSA-N -2 0 367.339 0.068 20 0 FCADRL O=C([O-])c1cc(C(=O)NC2CCN(CCF)CC2)cc(S(=O)(=O)[O-])c1 ZINC001189933444 851845698 /nfs/dbraw/zinc/84/56/98/851845698.db2.gz KRLAXTQJBXWRKC-UHFFFAOYSA-N -2 0 374.390 0.795 20 0 FCADRL CC(=O)NC[C@@H](C)CNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189942193 851847453 /nfs/dbraw/zinc/84/74/53/851847453.db2.gz WDQNSENYXUEEIQ-MRVPVSSYSA-N -2 0 358.372 0.134 20 0 FCADRL COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1nc(Br)ccc1[O-] ZINC001191749856 852133078 /nfs/dbraw/zinc/13/30/78/852133078.db2.gz YENGYVPDEKOIOE-LURJTMIESA-N -2 0 361.148 0.686 20 0 FCADRL COCCn1cnc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001192686046 852276983 /nfs/dbraw/zinc/27/69/83/852276983.db2.gz WVJKETZAFGMHMT-UHFFFAOYSA-N -2 0 355.372 0.794 20 0 FCADRL COC(=O)c1cncc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)n1 ZINC001192686011 852277231 /nfs/dbraw/zinc/27/72/31/852277231.db2.gz KMXOUTCJTPDHNP-UHFFFAOYSA-N -2 0 367.339 0.527 20 0 FCADRL COCCOC(=O)Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001193410599 852421604 /nfs/dbraw/zinc/42/16/04/852421604.db2.gz BHVBXGCSBNJNPQ-UHFFFAOYSA-N -2 0 355.346 0.375 20 0 FCADRL CCCC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(N)=O ZINC001195267784 852734607 /nfs/dbraw/zinc/73/46/07/852734607.db2.gz GPYYENSYTAATMB-JTQLQIEISA-N -2 0 350.343 0.985 20 0 FCADRL Cc1ccnc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]C(N)=O)cc2)c1 ZINC001198005829 853204012 /nfs/dbraw/zinc/20/40/12/853204012.db2.gz LOCCUAGTLWDIMU-UHFFFAOYSA-N -2 0 370.412 0.548 20 0 FCADRL Cn1c2ccccc2nc(C(=O)[N-]C(=N)SCCS(=O)(=O)[O-])c1=O ZINC001198665685 853299114 /nfs/dbraw/zinc/29/91/14/853299114.db2.gz ZETVEGWRGDRXMQ-UHFFFAOYSA-N -2 0 370.412 0.219 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)NCCOP(=O)([O-])[O-])C1 ZINC001201706287 853541254 /nfs/dbraw/zinc/54/12/54/853541254.db2.gz CGWJETPPCJCNTO-SECBINFHSA-N -2 0 374.352 0.025 20 0 FCADRL N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc(Cl)c([O-])c1F ZINC001214793587 855014218 /nfs/dbraw/zinc/01/42/18/855014218.db2.gz HECWKUKBRANPEN-UHFFFAOYSA-N -2 0 365.730 0.196 20 0 FCADRL O=C([O-])C[C@@H](C(=O)OCc1nc(-c2ccccc2)no1)[C@H](O)C(=O)[O-] ZINC001223197537 856900315 /nfs/dbraw/zinc/90/03/15/856900315.db2.gz PPSUTIYBRUVDJH-SKDRFNHKSA-N -2 0 350.283 0.316 20 0 FCADRL Cc1noc(C(Cl)(Cl)OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001223699406 856937711 /nfs/dbraw/zinc/93/77/11/856937711.db2.gz PTBYIJFFTYJKTR-NJGYIYPDSA-N -2 0 357.102 0.046 20 0 FCADRL COC(=O)c1ccc([C@H](C)OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001223753161 856941335 /nfs/dbraw/zinc/94/13/35/856941335.db2.gz FPEHSKMXFMMLIG-RLCGTCKNSA-N -2 0 354.311 0.614 20 0 FCADRL CC(C)(C)OC(=O)NCCCCOC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001224516329 856986168 /nfs/dbraw/zinc/98/61/68/856986168.db2.gz XMCKSQMNSYNPLK-GXSJLCMTSA-N -2 0 363.363 0.371 20 0 FCADRL CCOP(=O)(CCOC(=O)[C@H](O)COP(=O)([O-])[O-])OCC ZINC001224727096 856998431 /nfs/dbraw/zinc/99/84/31/856998431.db2.gz NNKLHOLCOMGIDN-MRVPVSSYSA-N -2 0 350.197 0.266 20 0 FCADRL CCOP(=O)(CCCOC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])OCC ZINC001224761591 857000473 /nfs/dbraw/zinc/00/04/73/857000473.db2.gz BDRXNGNOVKUGEH-KOLCDFICSA-N -2 0 370.291 0.722 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@H]1COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225055265 857017159 /nfs/dbraw/zinc/01/71/59/857017159.db2.gz IXBOQWDNKYSDAW-QXEWZRGKSA-N -2 0 361.347 0.075 20 0 FCADRL CCN(CC)C(=O)c1ccccc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001225320291 857033569 /nfs/dbraw/zinc/03/35/69/857033569.db2.gz WYPANULAXUWJMK-LLVKDONJSA-N -2 0 361.287 0.544 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(O)ccc1Br)[C@H](O)C(=O)[O-] ZINC001225811043 857062236 /nfs/dbraw/zinc/06/22/36/857062236.db2.gz NZLHVOGDPLISOT-LDWIPMOCSA-N -2 0 363.116 0.597 20 0 FCADRL O=C(Oc1cc(O)ccc1Br)[C@H](O)COP(=O)([O-])[O-] ZINC001225811467 857062739 /nfs/dbraw/zinc/06/27/39/857062739.db2.gz RXZZMXIBENERSG-SSDOTTSWSA-N -2 0 357.049 0.530 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1c(F)c(F)c([O-])c(F)c1F)[C@@H](O)C(=O)[O-] ZINC001225885999 857070167 /nfs/dbraw/zinc/07/01/67/857070167.db2.gz RDULNFVMPFWBEL-JZWFZXBASA-N -3 0 356.180 0.390 20 0 FCADRL Nc1nc(-c2ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc2)cs1 ZINC001226027039 857079920 /nfs/dbraw/zinc/07/99/20/857079920.db2.gz STTLENKLHPMLNW-SKDRFNHKSA-N -2 0 366.351 0.834 20 0 FCADRL Cc1cc(=O)oc2cc(O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc12 ZINC001226537364 857107997 /nfs/dbraw/zinc/10/79/97/857107997.db2.gz IRXXICPJIQCGIM-SECBINFHSA-N -3 0 360.211 0.183 20 0 FCADRL CCOC(=O)c1sc(C)nc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227059418 857139153 /nfs/dbraw/zinc/13/91/53/857139153.db2.gz BMDDQURDXDRQNA-XPUUQOCRSA-N -2 0 361.328 0.070 20 0 FCADRL Cc1sc2ncnc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2c1C ZINC001227083136 857140150 /nfs/dbraw/zinc/14/01/50/857140150.db2.gz TZGVNDLHGRXQMY-XVKPBYJWSA-N -2 0 354.340 0.750 20 0 FCADRL CCOC(=O)c1ccc(F)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227147648 857145548 /nfs/dbraw/zinc/14/55/48/857145548.db2.gz ONNGEYWQSDMXGI-JOYOIKCWSA-N -2 0 358.274 0.444 20 0 FCADRL Cc1cc(=O)oc2cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccc12 ZINC001227541913 857163800 /nfs/dbraw/zinc/16/38/00/857163800.db2.gz CTXYBVRRTQDZRR-QMTHXVAHSA-N -2 0 350.279 0.543 20 0 FCADRL O=C([O-])C[C@H](O)C(=O)Oc1cc2cc(S(=O)(=O)[O-])ccc2cc1O ZINC001227636076 857168070 /nfs/dbraw/zinc/16/80/70/857168070.db2.gz SAJNNEAJWXJIHU-NSHDSACASA-N -2 0 356.308 0.533 20 0 FCADRL O=C(Oc1nc2cccc3c2n1CCCC3=O)[C@H](O)COP(=O)([O-])[O-] ZINC001227819267 857179611 /nfs/dbraw/zinc/17/96/11/857179611.db2.gz SVVMWZBSNFDLKV-LLVKDONJSA-N -2 0 370.254 0.388 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1nnc(Cl)c2ccccc21)[C@@H](O)C(=O)[O-] ZINC001228280875 857200019 /nfs/dbraw/zinc/20/00/19/857200019.db2.gz UXQQHJAXIIWHRS-PSASIEDQSA-N -2 0 354.702 0.725 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc2cc(Cl)cnc2n1)[C@@H](O)C(=O)[O-] ZINC001228384082 857207540 /nfs/dbraw/zinc/20/75/40/857207540.db2.gz DPKQBKYHPJPLJT-GZMMTYOYSA-N -2 0 354.702 0.725 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(F)nc1Br)[C@H](O)C(=O)[O-] ZINC001228614344 857218819 /nfs/dbraw/zinc/21/88/19/857218819.db2.gz OGOVWWNSLJCVRO-NVNXEXLPSA-N -2 0 366.095 0.425 20 0 FCADRL Cc1nc(Br)ccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228706162 857224137 /nfs/dbraw/zinc/22/41/37/857224137.db2.gz GWYJDUIEWSKPTN-LHLIQPBNSA-N -2 0 362.132 0.594 20 0 FCADRL CCC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(OC)c1 ZINC001228876959 857234021 /nfs/dbraw/zinc/23/40/21/857234021.db2.gz KOLISCNVGDAOIY-XPTSAGLGSA-N -2 0 354.311 0.730 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cccc(O)c1Br)[C@@H](O)C(=O)[O-] ZINC001229140307 857253287 /nfs/dbraw/zinc/25/32/87/857253287.db2.gz AFFNVCLWBVTGJQ-XUOSJQGZSA-N -2 0 363.116 0.597 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(Cl)c2cccnc2n1)[C@H](O)C(=O)[O-] ZINC001229511921 857272705 /nfs/dbraw/zinc/27/27/05/857272705.db2.gz QPXUOVPZGGENDW-HQJQHLMTSA-N -2 0 354.702 0.725 20 0 FCADRL O=C(Oc1ccc(-n2ccccc2=O)cc1)[C@H](O)COP(=O)([O-])[O-] ZINC001229734089 857285273 /nfs/dbraw/zinc/28/52/73/857285273.db2.gz RYWLOZZTBVEKQN-GFCCVEGCSA-N -2 0 355.239 0.213 20 0 FCADRL COC(=O)c1c(C)cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1C ZINC001230308107 857324656 /nfs/dbraw/zinc/32/46/56/857324656.db2.gz KKNUBMKNNJYCMX-MFKMUULPSA-N -2 0 354.311 0.532 20 0 FCADRL COc1ccc2c(c1)[nH]c(=O)cc2OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001230686926 857346289 /nfs/dbraw/zinc/34/62/89/857346289.db2.gz XENIBNZROQBIJL-SNVBAGLBSA-N -2 0 359.227 0.325 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2cccc(Cl)c21)[C@@H](O)C(=O)[O-] ZINC001230884243 857351015 /nfs/dbraw/zinc/35/10/15/857351015.db2.gz DYTVUKLQFORXAF-GPXNAGAYSA-N -3 0 370.701 0.431 20 0 FCADRL COC(=O)C1(c2cccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c2)CC1 ZINC001231155496 857356588 /nfs/dbraw/zinc/35/65/88/857356588.db2.gz ONCDXDFZGQDSCS-LLVKDONJSA-N -2 0 360.255 0.267 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc2c(Cl)ncnc2c1)[C@H](O)C(=O)[O-] ZINC001231115127 857356747 /nfs/dbraw/zinc/35/67/47/857356747.db2.gz KOVQMUSYYJCLEO-KWQFWETISA-N -2 0 354.702 0.725 20 0 FCADRL O=C(Oc1cccnc1-c1ncccc1O)[C@H](O)COP(=O)([O-])[O-] ZINC001231205123 857357446 /nfs/dbraw/zinc/35/74/46/857357446.db2.gz WKBABDJMFITDSP-SECBINFHSA-N -2 0 356.227 0.225 20 0 FCADRL COC(=O)c1ccc(F)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1F ZINC001233909690 857392191 /nfs/dbraw/zinc/39/21/91/857392191.db2.gz KTVPVSBVGMJNOM-QUBYGPBYSA-N -2 0 362.237 0.193 20 0 FCADRL O=[N+]([O-])O[C@H]1CO[C@@H]2[C@H](Oc3ccc(OP(=O)([O-])[O-])cc3)CO[C@@H]21 ZINC001234331018 857400964 /nfs/dbraw/zinc/40/09/64/857400964.db2.gz ASEMLBOMEBGSDP-WRWGMCAJSA-N -2 0 363.215 0.280 20 0 FCADRL COc1cc(OC)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1OC ZINC001234699768 857412361 /nfs/dbraw/zinc/41/23/61/857412361.db2.gz JJILYXVPHRBXBW-CPFSXVBKSA-N -2 0 358.299 0.154 20 0 FCADRL O=P([O-])([O-])OCCNS(=O)(=O)c1ccccc1Br ZINC001257406571 858144427 /nfs/dbraw/zinc/14/44/27/858144427.db2.gz FWSATZBIUVJRFF-UHFFFAOYSA-N -2 0 360.122 0.837 20 0 FCADRL O=C([O-])CCC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259224795 858250255 /nfs/dbraw/zinc/25/02/55/858250255.db2.gz QYKKLPRTMWNMRT-UHFFFAOYSA-N -2 0 367.738 0.890 20 0 FCADRL COC(=O)CCc1ccc(S(=O)(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001259328251 858259894 /nfs/dbraw/zinc/25/98/94/858259894.db2.gz XHORWHRFXOJMRE-UHFFFAOYSA-N -2 0 367.316 0.180 20 0 FCADRL COC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cnn(C)c2)cc1 ZINC001259827387 858289290 /nfs/dbraw/zinc/28/92/90/858289290.db2.gz WBRCPDDHYTVAIJ-UHFFFAOYSA-N -2 0 374.400 0.266 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]C(N)=O)cc2)cn1 ZINC001259838380 858294341 /nfs/dbraw/zinc/29/43/41/858294341.db2.gz HNGVJQOGVCSHBM-UHFFFAOYSA-N -2 0 373.416 0.061 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnc(OC3COC3)nc2)c1 ZINC001260184341 858351581 /nfs/dbraw/zinc/35/15/81/858351581.db2.gz ZNURKKHSDREXHL-UHFFFAOYSA-N -2 0 351.340 0.753 20 0 FCADRL NC(=O)c1ccc(F)nc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260393818 858366318 /nfs/dbraw/zinc/36/63/18/858366318.db2.gz WVQSUZDGHKUDAI-UHFFFAOYSA-N -2 0 355.303 0.524 20 0 FCADRL O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)C[C@@H]1COC(=O)C1 ZINC001350353439 866573899 /nfs/dbraw/zinc/57/38/99/866573899.db2.gz HHGANIXWQXFTSO-DKCNOQQISA-N -2 0 366.292 0.062 20 0 FCADRL O=C([O-])CCCC(=O)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC001329217225 871893565 /nfs/dbraw/zinc/89/35/65/871893565.db2.gz VJLFVRKNGTUTLM-UHFFFAOYSA-N -2 0 358.347 0.770 20 0 FCADRL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C(=O)CCCC(=O)[O-])c1F ZINC001329656726 872159859 /nfs/dbraw/zinc/15/98/59/872159859.db2.gz XTCYZMSBUKBAGR-UHFFFAOYSA-N -2 0 365.310 0.811 20 0 FCADRL CC[C@](COC)([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000328507301 971485720 /nfs/dbraw/zinc/48/57/20/971485720.db2.gz YSNYEFWVBYCXRY-GFCCVEGCSA-N -2 0 350.324 0.892 20 0 FCADRL O=C([O-])c1cnc(C(=O)[N-]S(=O)(=O)N2CCCc3ccccc32)cn1 ZINC001595266133 949750704 /nfs/dbraw/zinc/75/07/04/949750704.db2.gz HYAMQHIEHGMPHY-UHFFFAOYSA-N -2 0 362.367 0.602 20 0 FCADRL CC(C)(C)[C@H]1CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCO1 ZINC001573826029 949900946 /nfs/dbraw/zinc/90/09/46/949900946.db2.gz FBDLJXDBTSCDEN-GFCCVEGCSA-N -2 0 358.406 0.862 20 0 FCADRL O=C(c1ncccc1O)N1CC[C@@H](CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001571031202 951525507 /nfs/dbraw/zinc/52/55/07/951525507.db2.gz FVKJKEAYKRRTBV-JTQLQIEISA-N -2 0 367.373 0.332 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])ccn2)c1 ZINC001593706723 954151141 /nfs/dbraw/zinc/15/11/41/954151141.db2.gz HHAAXTSZCNCHKK-UHFFFAOYSA-N -2 0 365.367 0.988 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001593707136 954152342 /nfs/dbraw/zinc/15/23/42/954152342.db2.gz KBJXQOCKMKLHIX-ZJUUUORDSA-N -2 0 356.400 0.626 20 0 FCADRL O=C([O-])[C@@H]1CC(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)=NN1c1ccccc1 ZINC001594902349 954645676 /nfs/dbraw/zinc/64/56/76/954645676.db2.gz YTFYHHKACIGMDF-MFKMUULPSA-N -2 0 355.358 0.235 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCc1ccncn1 ZINC000851702961 955824145 /nfs/dbraw/zinc/82/41/45/955824145.db2.gz NRHWVXFDVAVWRA-JQWIXIFHSA-N -2 0 374.319 0.532 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N(CCC(=O)[O-])C2CCOCC2)c1 ZINC001594660482 956530987 /nfs/dbraw/zinc/53/09/87/956530987.db2.gz RYKRWDHEQRXPPP-UHFFFAOYSA-N -2 0 372.399 0.136 20 0 FCADRL O=C([O-])[C@]1(NC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])CCOC1 ZINC001594724000 956983968 /nfs/dbraw/zinc/98/39/68/956983968.db2.gz QCFPRJJNTSIOGG-HNNXBMFYSA-N -2 0 353.281 0.830 20 0 FCADRL C[C@](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)(C(=O)[O-])c1ccccc1 ZINC001573593317 959410284 /nfs/dbraw/zinc/41/02/84/959410284.db2.gz DLOJOKBHNXUWQV-QGZVFWFLSA-N -2 0 355.354 0.230 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC001604931689 972494318 /nfs/dbraw/zinc/49/43/18/972494318.db2.gz BUTMOZCGFMSMHV-UHFFFAOYSA-N -2 0 356.335 0.731 20 0 FCADRL CC[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001573936808 961602881 /nfs/dbraw/zinc/60/28/81/961602881.db2.gz VGOWXFJNJUOQEY-RCWTZXSCSA-N -2 0 366.336 0.924 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)cc1=O ZINC001588911136 962302329 /nfs/dbraw/zinc/30/23/29/962302329.db2.gz UXFAAZFPFAFZFY-FHBSJOOWSA-N -2 0 365.430 0.904 20 0 FCADRL COC[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)C1 ZINC001574133334 962549644 /nfs/dbraw/zinc/54/96/44/962549644.db2.gz HPIZTMDZAXYOFQ-MRXNPFEDSA-N -2 0 362.342 0.308 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(=O)[O-])on1 ZINC001604382274 973097380 /nfs/dbraw/zinc/09/73/80/973097380.db2.gz BBPKQDJMBZWSKR-SNVBAGLBSA-N -2 0 354.340 0.435 20 0 FCADRL O=C([O-])COCCOCCNS(=O)(=O)c1cccnc1C(F)(F)F ZINC001606285651 973681299 /nfs/dbraw/zinc/68/12/99/973681299.db2.gz CGZITOHAALNSPR-UHFFFAOYSA-N -2 0 372.321 0.497 20 0 FCADRL CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001591708930 975577361 /nfs/dbraw/zinc/57/73/61/975577361.db2.gz FQEDIECCIOXDFU-NSHDSACASA-N -2 0 359.404 0.403 20 0 FCADRL CC(C)OC[C@H](NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)C(=O)[O-] ZINC001591730642 975696485 /nfs/dbraw/zinc/69/64/85/975696485.db2.gz DSTSRCXJUGDSOJ-LJLILKBBSA-N -2 0 357.384 0.941 20 0 FCADRL CC(C)Oc1c(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cccc1C(=O)[O-] ZINC001591740768 975742292 /nfs/dbraw/zinc/74/22/92/975742292.db2.gz IIJDLXAZOZOHKW-SECBINFHSA-N -2 0 352.343 0.947 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001591858968 976152598 /nfs/dbraw/zinc/15/25/98/976152598.db2.gz MFEDSQMWXZJVJD-UWVGGRQHSA-N -2 0 354.325 0.374 20 0 FCADRL CC(C)c1ccc(N2CC[C@@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])C2=O)cc1 ZINC001591960021 976540323 /nfs/dbraw/zinc/54/03/23/976540323.db2.gz PJIGETSXGSRWRX-ZDUSSCGKSA-N -2 0 368.411 0.694 20 0 FCADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1nc(Br)cs1 ZINC001592359438 977841886 /nfs/dbraw/zinc/84/18/86/977841886.db2.gz FWEBBBVUUAEQSW-BYPYZUCNSA-N -2 0 357.207 0.821 20 0 FCADRL C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC001592405656 977975966 /nfs/dbraw/zinc/97/59/66/977975966.db2.gz BMXXLXJKWKPHMW-ZPMKCOPCSA-N -2 0 357.384 0.631 20 0 FCADRL C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC001592406873 977987701 /nfs/dbraw/zinc/98/77/01/977987701.db2.gz ZDBBBYJQAWNGOQ-MRVPVSSYSA-N -2 0 351.402 0.221 20 0 FCADRL C[C@H](C[C@@H]1CCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1)C(=O)[O-] ZINC001592463727 978191738 /nfs/dbraw/zinc/19/17/38/978191738.db2.gz HZUKGXBZLMXNJU-NEPJUHHUSA-N -2 0 362.448 0.851 20 0 FCADRL C[C@@H](C[C@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1)C(=O)[O-] ZINC001592464337 978196925 /nfs/dbraw/zinc/19/69/25/978196925.db2.gz PAVPTAORXVYMQH-WDEREUQCSA-N -2 0 359.404 0.479 20 0 FCADRL C[C@](CCF)(NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC001592495632 978292982 /nfs/dbraw/zinc/29/29/82/978292982.db2.gz OCHAEBIWRWGRLO-CYBMUJFWSA-N -2 0 368.333 0.562 20 0 FCADRL CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001595029067 979155542 /nfs/dbraw/zinc/15/55/42/979155542.db2.gz UAHGQYYPQQGWFA-VIFPVBQESA-N -2 0 354.388 0.855 20 0 FCADRL C[C@@](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)(C(=O)[O-])c1ccccc1 ZINC001592716752 979217520 /nfs/dbraw/zinc/21/75/20/979217520.db2.gz XMXILPWAGXWLAH-INIZCTEOSA-N -2 0 370.427 0.660 20 0 FCADRL CCC(CC)(CNC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)C(=O)[O-] ZINC001595064668 979326978 /nfs/dbraw/zinc/32/69/78/979326978.db2.gz FRBOYTVGYRZCLX-UHFFFAOYSA-N -2 0 368.390 0.649 20 0 FCADRL CCC(CC)[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])N1CCOCC1 ZINC001595105628 979425127 /nfs/dbraw/zinc/42/51/27/979425127.db2.gz OMOQMQBVOAXSGA-CQSZACIVSA-N -2 0 364.464 0.434 20 0 FCADRL C[C@H](NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593052704 980357114 /nfs/dbraw/zinc/35/71/14/980357114.db2.gz FPZVYQCDANBOPP-SYEHKZFSSA-N -2 0 356.419 0.989 20 0 FCADRL CCCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001595523979 981351799 /nfs/dbraw/zinc/35/17/99/981351799.db2.gz ZSNBDXOCIMRZKE-ZDUSSCGKSA-N -2 0 368.411 0.981 20 0 FCADRL CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C)C(=O)[O-] ZINC001595607043 981598061 /nfs/dbraw/zinc/59/80/61/981598061.db2.gz CRTVIOKNLDWDEU-ZYHUDNBSSA-N -2 0 363.363 0.725 20 0 FCADRL CCC[C@@H](O)[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCCCC1)C(=O)[O-] ZINC001595609361 981620368 /nfs/dbraw/zinc/62/03/68/981620368.db2.gz UYKQOHCKKDGBAI-MNOVXSKESA-N -2 0 351.421 0.555 20 0 FCADRL CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001594834920 982025064 /nfs/dbraw/zinc/02/50/64/982025064.db2.gz OUYYJJPSKMRVLB-AWEZNQCLSA-N -2 0 366.436 0.848 20 0 FCADRL CC[C@@](C)(CNS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)OC)c1)C(=O)[O-] ZINC001594835909 982034715 /nfs/dbraw/zinc/03/47/15/982034715.db2.gz YCIDKDZBROJJFC-HNNXBMFYSA-N -2 0 373.383 0.951 20 0 FCADRL CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001595986325 983231335 /nfs/dbraw/zinc/23/13/35/983231335.db2.gz MPSGTPFMLIRFSE-NWDGAFQWSA-N -2 0 370.427 0.746 20 0 FCADRL CCN(CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)OC(C)(C)C ZINC001596207230 983594823 /nfs/dbraw/zinc/59/48/23/983594823.db2.gz RSIADINVOCGQOG-UHFFFAOYSA-N -2 0 366.436 0.800 20 0 FCADRL CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@](C)(COC)C(=O)[O-] ZINC001596586434 984515795 /nfs/dbraw/zinc/51/57/95/984515795.db2.gz BXJXDKCNXNBFGQ-GMSGAONNSA-N -2 0 365.326 0.280 20 0 FCADRL CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001596586865 984517675 /nfs/dbraw/zinc/51/76/75/984517675.db2.gz LCUGNUUBKAZGDZ-BHNWBGBOSA-N -2 0 363.310 0.032 20 0 FCADRL CCOC(=O)Cn1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)n1 ZINC001596637893 984629394 /nfs/dbraw/zinc/62/93/94/984629394.db2.gz PFKMVEOULWAKSX-UHFFFAOYSA-N -2 0 367.383 0.874 20 0 FCADRL CCOC(=O)c1cn(CCNS(=O)(=O)c2cc(C(=O)[O-])co2)cn1 ZINC001596735322 985021563 /nfs/dbraw/zinc/02/15/63/985021563.db2.gz LEAXZFIDHXFLDY-UHFFFAOYSA-N -2 0 357.344 0.330 20 0 FCADRL CCOC(=O)c1cnccc1[N-]S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001596740495 985049553 /nfs/dbraw/zinc/04/95/53/985049553.db2.gz LPSZVXAJMAKFDC-UHFFFAOYSA-N -2 0 365.367 0.883 20 0 FCADRL CC(=O)N1CCc2cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])ccc21 ZINC001589091482 985279841 /nfs/dbraw/zinc/27/98/41/985279841.db2.gz VIJOSAYCNKWCDA-UWVGGRQHSA-N -2 0 368.411 0.764 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] ZINC001599940985 985453933 /nfs/dbraw/zinc/45/39/33/985453933.db2.gz BIXGQTLJMPFUCO-ZYHUDNBSSA-N -2 0 357.370 0.860 20 0 FCADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)Cc1cnnn1C ZINC001599948697 985572462 /nfs/dbraw/zinc/57/24/62/985572462.db2.gz RBECYLTZFQWNQU-VIFPVBQESA-N -2 0 354.388 0.644 20 0 FCADRL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)s1 ZINC001589223009 985735107 /nfs/dbraw/zinc/73/51/07/985735107.db2.gz ITLCMCJNUROUOQ-UHFFFAOYSA-N -2 0 359.389 0.642 20 0 FCADRL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2c(C(=O)[O-])c(C)nn2C)s1 ZINC001589223156 985736410 /nfs/dbraw/zinc/73/64/10/985736410.db2.gz NVNXVZLNZMYTGP-UHFFFAOYSA-N -2 0 373.416 0.951 20 0 FCADRL CC(=O)c1[nH]c(CC(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)c(C(=O)[O-])c1C ZINC001589244423 985846713 /nfs/dbraw/zinc/84/67/13/985846713.db2.gz QFXXYOAULYGGLD-SNVBAGLBSA-N -2 0 372.399 0.391 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cnn1C(C)C ZINC001599982054 986176799 /nfs/dbraw/zinc/17/67/99/986176799.db2.gz QCVNAVZKXHQLLQ-UHFFFAOYSA-N -2 0 358.420 0.544 20 0 FCADRL C[C@H](C(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1)c1ccnn1C ZINC001589424705 986696350 /nfs/dbraw/zinc/69/63/50/986696350.db2.gz ZXVRVSMTCMYRQS-VIFPVBQESA-N -2 0 352.372 0.695 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)Cn1cc(Br)cn1 ZINC001589450135 986836621 /nfs/dbraw/zinc/83/66/21/986836621.db2.gz AVCRNRPCFHZIDJ-RNFRBKRXSA-N -2 0 368.209 0.201 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCCc1nc(C2CC2)no1 ZINC001589450977 986842968 /nfs/dbraw/zinc/84/29/68/986842968.db2.gz GRTRLDSOCGFCMQ-IUCAKERBSA-N -2 0 359.404 0.825 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)N1CCc2ccccc2C1 ZINC001589451516 986845698 /nfs/dbraw/zinc/84/56/98/986845698.db2.gz IUDYBFRXVXGCHO-RWMBFGLXSA-N -2 0 368.455 0.988 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2ccccc2oc1=O ZINC001589451957 986848686 /nfs/dbraw/zinc/84/86/86/986848686.db2.gz KFNJBJZKWGHYAM-IUCAKERBSA-N -2 0 353.352 0.962 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CC1CCC2(CC1)OCCO2 ZINC001589453844 986868064 /nfs/dbraw/zinc/86/80/64/986868064.db2.gz RVYGVABYNIJCHR-MNOVXSKESA-N -2 0 363.432 0.865 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1c(C(F)(F)F)cnn1C ZINC001589454425 986879051 /nfs/dbraw/zinc/87/90/51/986879051.db2.gz VUYLPZVXRXSTAV-NTSWFWBYSA-N -2 0 357.310 0.608 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCC(=O)N2C ZINC001589454977 986889420 /nfs/dbraw/zinc/88/94/20/986889420.db2.gz TUOCGEUZWSRLGY-NXEZZACHSA-N -2 0 368.411 0.764 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1nn(C)c2ccccc12 ZINC001589455081 986890363 /nfs/dbraw/zinc/89/03/63/986890363.db2.gz ZKWOJOHVSQDGFT-NXEZZACHSA-N -2 0 353.400 0.671 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1csc(-c2cnn(C)c2)n1 ZINC001589455244 986892767 /nfs/dbraw/zinc/89/27/67/986892767.db2.gz WPRSCIYJXLCHGG-YUMQZZPRSA-N -2 0 372.428 0.712 20 0 FCADRL C[C@H](C(=O)[O-])N(Cc1cccc(F)c1)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001589486241 987025296 /nfs/dbraw/zinc/02/52/96/987025296.db2.gz BAJJPXBXROSCQW-SNVBAGLBSA-N -2 0 362.379 0.752 20 0 FCADRL CCOc1ccccc1NC(=O)CS(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001597179562 987036211 /nfs/dbraw/zinc/03/62/11/987036211.db2.gz PTKQKYSDXRUSMK-UHFFFAOYSA-N -2 0 353.356 0.919 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC001589494779 987072603 /nfs/dbraw/zinc/07/26/03/987072603.db2.gz LMJPZJUIRCDSFV-PWSUYJOCSA-N -2 0 354.384 0.210 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001589496507 987079257 /nfs/dbraw/zinc/07/92/57/987079257.db2.gz XHSQLBLPWUDYPG-ZJUUUORDSA-N -2 0 372.374 0.488 20 0 FCADRL CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccc(OC)cc1C(=O)[O-])C(=O)[O-] ZINC001597314276 987437083 /nfs/dbraw/zinc/43/70/83/987437083.db2.gz KRKYCRFZOXYXQL-UFBFGSQYSA-N -2 0 352.343 0.947 20 0 FCADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC001589603738 987443429 /nfs/dbraw/zinc/44/34/29/987443429.db2.gz UNGWWVKJACPRPT-QJPTWQEYSA-N -2 0 354.403 0.705 20 0 FCADRL CSCC1(CC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001599793522 988052253 /nfs/dbraw/zinc/05/22/53/988052253.db2.gz MVFAXQSMHGXWKJ-UHFFFAOYSA-N -2 0 350.462 0.677 20 0 FCADRL CC(C)(C)CC[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC001589766874 988117971 /nfs/dbraw/zinc/11/79/71/988117971.db2.gz RRKSIMVENCHBEH-NSHDSACASA-N -2 0 350.437 0.897 20 0 FCADRL C[C@@H]1CCN(Cn2nc(C(=O)[O-])ccc2=O)C[C@@H]1NC(=O)C(F)(F)F ZINC001599849163 988983917 /nfs/dbraw/zinc/98/39/17/988983917.db2.gz HITXLNRTPNQVOK-SCZZXKLOSA-N -2 0 362.308 0.288 20 0 FCADRL CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)C1CCC1 ZINC001590246962 989637303 /nfs/dbraw/zinc/63/73/03/989637303.db2.gz RIRPFYXQFZEYIV-VIFPVBQESA-N -2 0 350.393 0.353 20 0 FCADRL CCn1ncc2cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])c(C)nc21 ZINC001597960117 989982018 /nfs/dbraw/zinc/98/20/18/989982018.db2.gz KZFQKJKGEWACJZ-PSASIEDQSA-N -2 0 368.415 0.928 20 0 FCADRL CC(C)(C)n1ccc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])n1 ZINC001590599688 990254627 /nfs/dbraw/zinc/25/46/27/990254627.db2.gz JPNKGIVKLNXWJK-UHFFFAOYSA-N -2 0 358.401 0.912 20 0 FCADRL CC(C)(CCNC(=O)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)C(=O)[O-] ZINC001590670933 990377299 /nfs/dbraw/zinc/37/72/99/990377299.db2.gz KGCGJMAEZWZBIT-ZDUSSCGKSA-N -2 0 362.382 0.814 20 0 FCADRL CN(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)[C@H](COC1CCC1)C(=O)[O-] ZINC001598087837 990419553 /nfs/dbraw/zinc/41/95/53/990419553.db2.gz KWZIGUAPNWXGFW-GFCCVEGCSA-N -2 0 371.415 0.547 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1ncn(-c2ccccc2)n1)C(=O)[O-] ZINC001590798865 990625559 /nfs/dbraw/zinc/62/55/59/990625559.db2.gz GLRUHLIREXFDPM-UHFFFAOYSA-N -2 0 352.372 0.438 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1ccnc(NC(=O)C2CC2)c1)C(=O)[O-] ZINC001590799407 990628748 /nfs/dbraw/zinc/62/87/48/990628748.db2.gz UHOOERWLKQTKKJ-UHFFFAOYSA-N -2 0 369.399 0.601 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCC1(CC(=O)[O-])CCOCC1 ZINC001590839983 990702918 /nfs/dbraw/zinc/70/29/18/990702918.db2.gz JAMJYFUONLWRKJ-UHFFFAOYSA-N -2 0 354.325 0.831 20 0 FCADRL CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21)C(=O)[O-] ZINC001590981986 991144235 /nfs/dbraw/zinc/14/42/35/991144235.db2.gz AEZVTMRAAONNHH-MFKMUULPSA-N -2 0 364.354 0.338 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCc2ocnc2C(=O)[O-])c1 ZINC001598276953 991156922 /nfs/dbraw/zinc/15/69/22/991156922.db2.gz JZWRZLLQLKJJGI-UHFFFAOYSA-N -2 0 369.355 0.259 20 0 FCADRL CN(C)c1cnc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cn1 ZINC001598348020 991428960 /nfs/dbraw/zinc/42/89/60/991428960.db2.gz CYCAMUFHRTUTDY-UHFFFAOYSA-N -2 0 364.383 0.501 20 0 FCADRL COc1cncc(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)n1 ZINC001599726822 991641834 /nfs/dbraw/zinc/64/18/34/991641834.db2.gz VDWGSINVAWGGPN-UHFFFAOYSA-N -2 0 351.340 0.443 20 0 FCADRL CN(CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)[C@@H]1CCSC1 ZINC001598396886 991665121 /nfs/dbraw/zinc/66/51/21/991665121.db2.gz WECGMTMBJYPNMV-LLVKDONJSA-N -2 0 358.441 0.627 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC001598470199 992014933 /nfs/dbraw/zinc/01/49/33/992014933.db2.gz QGQOSXLORLUDLL-JTQLQIEISA-N -2 0 370.383 0.219 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC001598471328 992030901 /nfs/dbraw/zinc/03/09/01/992030901.db2.gz WLRHJZVRADTQMB-UHFFFAOYSA-N -2 0 357.388 0.398 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cn1 ZINC001599759867 992105583 /nfs/dbraw/zinc/10/55/83/992105583.db2.gz CSRUVMYTZPXDPE-NHYWBVRUSA-N -2 0 353.400 0.780 20 0 FCADRL CN(CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)C(=O)OC(C)(C)C ZINC001598482810 992178137 /nfs/dbraw/zinc/17/81/37/992178137.db2.gz GZQGRVVPCOYQJV-UHFFFAOYSA-N -2 0 363.392 0.908 20 0 FCADRL CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1)C(=O)[O-] ZINC001591447394 992549035 /nfs/dbraw/zinc/54/90/35/992549035.db2.gz ZFNLWYQSMDGOJE-LBPRGKRZSA-N -2 0 352.343 0.704 20 0 FCADRL CN(c1cccc(CCC(=O)[O-])c1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001598544256 992929421 /nfs/dbraw/zinc/92/94/21/992929421.db2.gz LLHWETQNCRWSEB-UHFFFAOYSA-N -2 0 367.383 0.810 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c(OC)c1C(=O)[O-] ZINC001599609363 993931064 /nfs/dbraw/zinc/93/10/64/993931064.db2.gz AJQRTQZTAORMHS-IUCAKERBSA-N -2 0 373.383 0.886 20 0 FCADRL COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)[C@H]2C(=O)[O-])cc1C(=O)[O-] ZINC001599609630 993934303 /nfs/dbraw/zinc/93/43/03/993934303.db2.gz MEGNMQFMNDDXLH-RVBZMBCESA-N -2 0 373.383 0.645 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)c2c(C)[nH]c(C(=O)[O-])c2C)cn1 ZINC001599612083 993967766 /nfs/dbraw/zinc/96/77/66/993967766.db2.gz UJZWKMFMZYWIHH-UHFFFAOYSA-N -2 0 353.356 0.852 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)CC(C)(C)OC)c(CC(=O)[O-])c1 ZINC001599612130 993969134 /nfs/dbraw/zinc/96/91/34/993969134.db2.gz UMBTXTKXNURYOG-UHFFFAOYSA-N -2 0 359.400 0.942 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@@H](Cc2ccco2)C(=O)[O-])cc1C(=O)[O-] ZINC001599613299 993983316 /nfs/dbraw/zinc/98/33/16/993983316.db2.gz RWAREOZZXZKYNR-LBPRGKRZSA-N -2 0 369.351 0.961 20 0 FCADRL COc1ccc(S(=O)(=O)NCC[C@@H](C)C(=O)[O-])c(OC)c1C(=O)[O-] ZINC001599615510 994009305 /nfs/dbraw/zinc/00/93/05/994009305.db2.gz NVPQCSQTTPSVDY-MRVPVSSYSA-N -2 0 361.372 0.791 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2ncncc2OC)c(CC(=O)[O-])c1 ZINC001599618013 994043070 /nfs/dbraw/zinc/04/30/70/994043070.db2.gz SOQFGDZFLQZXHY-UHFFFAOYSA-N -2 0 353.356 0.922 20 0 FCADRL C[C@H](NC(=O)c1ccccc1)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001593176309 994054366 /nfs/dbraw/zinc/05/43/66/994054366.db2.gz SOPDOMUJSNBVLZ-VWYCJHECSA-N -2 0 356.400 0.360 20 0 FCADRL CNC(=O)COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001598647074 994388088 /nfs/dbraw/zinc/38/80/88/994388088.db2.gz SZDUYVWGNROQHD-UHFFFAOYSA-N -2 0 354.340 0.903 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)c1 ZINC001599682713 995008605 /nfs/dbraw/zinc/00/86/05/995008605.db2.gz DNNJQKCPCHGNEL-OYLFLEFRSA-N -2 0 355.412 0.487 20 0 FCADRL COC(=O)C(F)(F)C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001598703529 995255814 /nfs/dbraw/zinc/25/58/14/995255814.db2.gz WLIIIEHWJOOLPR-UHFFFAOYSA-N -2 0 359.253 0.750 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1ccn(C)n1 ZINC001598714356 995386926 /nfs/dbraw/zinc/38/69/26/995386926.db2.gz RIRVZBNMLIESMA-SNVBAGLBSA-N -2 0 359.385 0.372 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccccc1F ZINC001598715263 995398301 /nfs/dbraw/zinc/39/83/01/995398301.db2.gz XIXLSNZQYSSDOS-LLVKDONJSA-N -2 0 358.303 0.705 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccn(C)n1 ZINC001598715278 995398338 /nfs/dbraw/zinc/39/83/38/995398338.db2.gz YACQNEVEHVWKTL-JTQLQIEISA-N -2 0 359.385 0.372 20 0 FCADRL C[C@H](Oc1ccccc1F)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001593651003 996009539 /nfs/dbraw/zinc/00/95/39/996009539.db2.gz FYIXKUIEZJZDDW-JTQLQIEISA-N -2 0 374.390 0.751 20 0 FCADRL CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)cn1 ZINC001593784278 996502104 /nfs/dbraw/zinc/50/21/04/996502104.db2.gz KVOUQSDZJRNKRG-UHFFFAOYSA-N -2 0 366.374 0.355 20 0 FCADRL COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C)C(=O)[O-] ZINC001598840667 996523126 /nfs/dbraw/zinc/52/31/26/996523126.db2.gz UYABLONMSNWJHG-VIFPVBQESA-N -2 0 363.319 0.127 20 0 FCADRL COC(=O)CCCO[N-]C(=O)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC001598852081 996612619 /nfs/dbraw/zinc/61/26/19/996612619.db2.gz GSWSIZOXDAGJRG-UHFFFAOYSA-N -2 0 358.734 0.978 20 0 FCADRL COC(=O)CC[C@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)C(=O)[O-] ZINC001598858757 996658770 /nfs/dbraw/zinc/65/87/70/996658770.db2.gz UNTFOMFTCIMCBC-ZETCQYMHSA-N -2 0 351.358 0.131 20 0 FCADRL COC(=O)Cc1cccc([N-]S(=O)(=O)c2scnc2C(=O)[O-])n1 ZINC001598874115 996753000 /nfs/dbraw/zinc/75/30/00/996753000.db2.gz ZWVGONVDOZMHDB-UHFFFAOYSA-N -2 0 357.369 0.753 20 0 FCADRL COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001598883801 996855065 /nfs/dbraw/zinc/85/50/65/996855065.db2.gz YOWWSCXAMVXPCT-UHFFFAOYSA-N -2 0 350.736 0.199 20 0 FCADRL COC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1)C(=O)[O-] ZINC001599177671 996882146 /nfs/dbraw/zinc/88/21/46/996882146.db2.gz NQKWRXMZHVVEIW-VIFPVBQESA-N -2 0 371.289 0.782 20 0 FCADRL COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c1 ZINC001599282230 996910916 /nfs/dbraw/zinc/91/09/16/996910916.db2.gz IRYPYDTXWIGSEU-UHFFFAOYSA-N -2 0 360.779 0.963 20 0 FCADRL COc1ccc(C(=O)[O-])c2c1CN(C(=O)CCn1cc[nH]c(=O)c1=O)CC2 ZINC001599493889 996987980 /nfs/dbraw/zinc/98/79/80/996987980.db2.gz ILXCHTWEGOVZPH-UHFFFAOYSA-N -2 0 373.365 0.218 20 0 FCADRL CC1(C)Cc2cccc(S(=O)(=O)[N-]c3nnc(CC(=O)[O-])[nH]3)c2O1 ZINC001593968675 997121659 /nfs/dbraw/zinc/12/16/59/997121659.db2.gz ICMWPKVWSPFYCK-UHFFFAOYSA-N -2 0 352.372 0.946 20 0 FCADRL COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2cnnn2C)c1OC ZINC001599397463 997153173 /nfs/dbraw/zinc/15/31/73/997153173.db2.gz CENIBHMXWQTSNI-SNAWJCMRSA-N -2 0 368.371 0.731 20 0 FCADRL COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC001599195885 997215449 /nfs/dbraw/zinc/21/54/49/997215449.db2.gz USLGMGCVGBZBMH-HQQUCIOCSA-N -2 0 369.395 0.896 20 0 FCADRL COc1ccc([C@H](CC(=O)[O-])NC(=O)CSc2n[nH]c(=O)[n-]2)cc1 ZINC001599511215 997301368 /nfs/dbraw/zinc/30/13/68/997301368.db2.gz SWKHMMSGKVHYRF-JTQLQIEISA-N -2 0 352.372 0.943 20 0 FCADRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)[N-]c1nc(C)n(C)n1 ZINC001598915576 997457906 /nfs/dbraw/zinc/45/79/06/997457906.db2.gz GUKFHBOBDLHNNU-UHFFFAOYSA-N -2 0 374.400 0.779 20 0 FCADRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)[N-]c1cnnn1C ZINC001598916455 997475962 /nfs/dbraw/zinc/47/59/62/997475962.db2.gz SXIYPBKNYUCFBS-UHFFFAOYSA-N -2 0 360.373 0.471 20 0 FCADRL COC(=O)c1cc(NC(=O)C[C@]2(C(=O)[O-])CCOC2)ccc1C(=O)[O-] ZINC001598938096 997909522 /nfs/dbraw/zinc/90/95/22/997909522.db2.gz PFROTPIIRRYDFF-MRXNPFEDSA-N -2 0 351.311 0.991 20 0 FCADRL COc1c(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cc2F)c(C)nn1C ZINC001599344703 997981639 /nfs/dbraw/zinc/98/16/39/997981639.db2.gz MWEOUGLABOIARX-UHFFFAOYSA-N -2 0 371.346 0.693 20 0 FCADRL COc1ccc(C[C@@H](C)C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cc1OC ZINC001599550996 998006532 /nfs/dbraw/zinc/00/65/32/998006532.db2.gz SYCKLGYALLNHFG-SNVBAGLBSA-N -2 0 359.400 0.803 20 0 FCADRL CO[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C(=O)[O-])[C@](C)(C(=O)[O-])C1 ZINC001599136362 998050382 /nfs/dbraw/zinc/05/03/82/998050382.db2.gz FQOSQJPKPZIQRU-XPTSAGLGSA-N -2 0 361.347 0.777 20 0 FCADRL CO[C@@H]1CN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)[C@](C)(C(=O)[O-])C1 ZINC001599136430 998051902 /nfs/dbraw/zinc/05/19/02/998051902.db2.gz HPRXJGHQWCAUMZ-WFASDCNBSA-N -2 0 357.384 0.779 20 0 FCADRL CO[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)[C@@](C)(C(=O)[O-])C1 ZINC001599136565 998054324 /nfs/dbraw/zinc/05/43/24/998054324.db2.gz KCTNCSQBWZAWMM-YMTOWFKASA-N -2 0 361.347 0.777 20 0 FCADRL CO[C@H]1CN(S(=O)(=O)Cc2ccccc2C(=O)[O-])[C@](C)(C(=O)[O-])C1 ZINC001599136817 998057904 /nfs/dbraw/zinc/05/79/04/998057904.db2.gz UFCKAYFHJLVYTR-ABAIWWIYSA-N -2 0 357.384 0.779 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])n2C)c(C)o1 ZINC001598950840 998148402 /nfs/dbraw/zinc/14/84/02/998148402.db2.gz HVGHCVMWLZAUHP-UHFFFAOYSA-N -2 0 370.339 0.530 20 0 FCADRL COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])c1OC ZINC001599356558 998188061 /nfs/dbraw/zinc/18/80/61/998188061.db2.gz CJDOPUGSVQBAKN-QMMMGPOBSA-N -2 0 368.342 0.520 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]Cc2cccc(OCC(=O)[O-])c2)on1 ZINC001598955885 998239383 /nfs/dbraw/zinc/23/93/83/998239383.db2.gz SRASMVGHYIVOOH-UHFFFAOYSA-N -2 0 370.339 0.403 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CC[C@H](C)[C@@H]2C(=O)[O-])c1 ZINC001598962417 998357175 /nfs/dbraw/zinc/35/71/75/998357175.db2.gz APJWGVWQXQEQGD-QPUJVOFHSA-N -2 0 371.367 0.655 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NC[C@H](C(=O)[O-])C(C)C)c1 ZINC001598962563 998359771 /nfs/dbraw/zinc/35/97/71/998359771.db2.gz CWYVPVXZVCJEIW-NSHDSACASA-N -2 0 373.383 0.807 20 0 FCADRL C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001594137915 998397548 /nfs/dbraw/zinc/39/75/48/998397548.db2.gz ZALBDRIVXRHTIF-BDAKNGLRSA-N -2 0 350.393 0.163 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C(=O)[O-])c(C)nn2C)cn1 ZINC001598990955 998736838 /nfs/dbraw/zinc/73/68/38/998736838.db2.gz XIJUYYYLNSGFCK-UHFFFAOYSA-N -2 0 354.344 0.409 20 0 FCADRL COC(=O)c1ccccc1CCC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC001599003527 998839590 /nfs/dbraw/zinc/83/95/90/998839590.db2.gz WGASGGYIKANYRS-GHMZBOCLSA-N -2 0 371.411 0.961 20 0 FCADRL COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cn1 ZINC001599009693 998887494 /nfs/dbraw/zinc/88/74/94/998887494.db2.gz STFLEKRZLQVEMY-UHFFFAOYSA-N -2 0 355.303 0.901 20 0 FCADRL COC(=O)c1cncc(S(=O)(=O)[N-]c2nnc(CCC(=O)[O-])s2)c1 ZINC001599011052 998898937 /nfs/dbraw/zinc/89/89/37/998898937.db2.gz GCLBYHUYCFZTNS-UHFFFAOYSA-N -2 0 372.384 0.538 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](Cc1ccncc1)C(=O)[O-] ZINC001599017913 998954548 /nfs/dbraw/zinc/95/45/48/998954548.db2.gz RWIBGXGHLLKTFO-VIFPVBQESA-N -2 0 371.396 0.299 20 0 FCADRL COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ncn(CC(=O)[O-])n1 ZINC001599022064 998988571 /nfs/dbraw/zinc/98/85/71/998988571.db2.gz PLPLQLWDDFQEBY-UHFFFAOYSA-N -2 0 360.373 0.320 20 0 FCADRL CO[C@H](C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)c1cnn(C)c1 ZINC001599028186 999031039 /nfs/dbraw/zinc/03/10/39/999031039.db2.gz KHFUEFBWJMLZOJ-NSHDSACASA-N -2 0 357.344 0.212 20 0 FCADRL CO[C@@H](C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1C)C(=O)[O-])C1CC1 ZINC001599042346 999126979 /nfs/dbraw/zinc/12/69/79/999126979.db2.gz BJNDZSYXDYSMQD-UWVGGRQHSA-N -2 0 361.372 0.833 20 0 FCADRL C[C@@H]1CCCN(c2cc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])ccn2)C1 ZINC001594389909 999477675 /nfs/dbraw/zinc/47/76/75/999477675.db2.gz YDUIUVQVJGGQJD-LLVKDONJSA-N -2 0 355.416 0.852 20 0 FCADRL C[C@@H]1CN(C(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CC[C@@H]1C(=O)[O-] ZINC001594453089 999654288 /nfs/dbraw/zinc/65/42/88/999654288.db2.gz DMKQOQOPHRPQNN-WOPDTQHZSA-N -2 0 352.387 0.269 20 0 FCADRL C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CC[C@@H]1C(=O)[O-] ZINC001594454402 999656543 /nfs/dbraw/zinc/65/65/43/999656543.db2.gz NJCGUEIAVQVIJS-FZMZJTMJSA-N -2 0 362.382 0.912 20 0 FCADRL C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC[C@@H]1C(=O)[O-] ZINC001594457960 999663588 /nfs/dbraw/zinc/66/35/88/999663588.db2.gz DVJOPLDYDXFMQY-GWCFXTLKSA-N -2 0 364.354 0.658 20 0 FCADRL C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC[C@H]1C(=O)[O-] ZINC001594459891 999671474 /nfs/dbraw/zinc/67/14/74/999671474.db2.gz YQNFIEMDDXRVMV-BXKDBHETSA-N -2 0 366.345 0.961 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]C(=O)c2nn(-c3ccc(OC)cc3)cc2[O-])C1=O ZINC000292916944 214131680 /nfs/dbraw/zinc/13/16/80/214131680.db2.gz NXJKLQBXKVFOMR-QGZVFWFLSA-N -2 0 373.369 0.952 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2=O)C(=O)[O-] ZINC000296779130 214362889 /nfs/dbraw/zinc/36/28/89/214362889.db2.gz ACRCFVFVJCDASI-SNVBAGLBSA-N -2 0 355.368 0.659 20 0 FCADRL C[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000283829830 213014295 /nfs/dbraw/zinc/01/42/95/213014295.db2.gz GVQNKXJHMKCEGI-RCOVLWMOSA-N -2 0 354.344 0.062 20 0 FCADRL COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000277294110 212348589 /nfs/dbraw/zinc/34/85/89/212348589.db2.gz RBUXZPIVRQMXHK-JTQLQIEISA-N -2 0 360.344 0.461 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC[C@H]1C(=O)[O-] ZINC000277156229 212335281 /nfs/dbraw/zinc/33/52/81/212335281.db2.gz SAKZJCCXGVSZKZ-VXNVDRBHSA-N -2 0 368.371 0.167 20 0 FCADRL Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1Br ZINC000275344980 212009944 /nfs/dbraw/zinc/00/99/44/212009944.db2.gz VQUMUUBWSNFJFT-VIFPVBQESA-N -2 0 366.189 0.964 20 0 FCADRL O=C([N-]OCc1cccnc1)[C@H]1CC[C@@H](C(=O)[N-]OCc2cccnc2)O1 ZINC000275295340 212001691 /nfs/dbraw/zinc/00/16/91/212001691.db2.gz HDJQAYHWHXHHQI-IYBDPMFKSA-N -2 0 372.381 0.820 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000275012965 211948114 /nfs/dbraw/zinc/94/81/14/211948114.db2.gz QIRQMOBSHPOZHB-SECBINFHSA-N -2 0 359.356 0.302 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)C[C@H]1C(=O)[O-] ZINC000274988680 211943159 /nfs/dbraw/zinc/94/31/59/211943159.db2.gz DXEWZPIQHMLREO-NKWVEPMBSA-N -2 0 367.301 0.900 20 0 FCADRL COC(=O)C1(c2ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc2)CC1 ZINC000274927357 211932167 /nfs/dbraw/zinc/93/21/67/211932167.db2.gz CGDNXNLLSROVRQ-UHFFFAOYSA-N -2 0 371.367 0.051 20 0 FCADRL C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000424394446 247205609 /nfs/dbraw/zinc/20/56/09/247205609.db2.gz TXXBFVPYIAQTOL-SFYZADRCSA-N -2 0 368.371 0.310 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)NCCCC(=O)[O-])cn1 ZINC000428097555 247575736 /nfs/dbraw/zinc/57/57/36/247575736.db2.gz FBTUSAREKPVGPP-UHFFFAOYSA-N -2 0 372.428 0.877 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)n1 ZINC000438765710 248095389 /nfs/dbraw/zinc/09/53/89/248095389.db2.gz PJCIRLCSZOJHHH-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000436994151 248056859 /nfs/dbraw/zinc/05/68/59/248056859.db2.gz KLFVJUBNNRTXIF-UHFFFAOYSA-N -2 0 355.328 0.791 20 0 FCADRL CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)[N-]c1nnc[nH]1 ZINC000270467809 211207968 /nfs/dbraw/zinc/20/79/68/211207968.db2.gz FSCFYPNBTXFGIW-UHFFFAOYSA-N -2 0 361.405 0.376 20 0 FCADRL COc1cc(OC)cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1 ZINC000275144268 533081340 /nfs/dbraw/zinc/08/13/40/533081340.db2.gz QRYRRCFOEVIYHJ-STQMWFEESA-N -2 0 373.383 0.500 20 0 FCADRL O=C([O-])[C@H]1CCCN1C(=O)c1ccc2c(c1)S(=O)(=O)[N-]c1ncnn1-2 ZINC000262087941 229297935 /nfs/dbraw/zinc/29/79/35/229297935.db2.gz GMFSICQLMZLPRD-SNVBAGLBSA-N -2 0 363.355 0.071 20 0 FCADRL O=C([O-])CCC[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)[O-] ZINC000278835796 488899215 /nfs/dbraw/zinc/89/92/15/488899215.db2.gz ZGIHUHIDVZQLDX-SECBINFHSA-N -2 0 358.328 0.108 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000322869132 488903250 /nfs/dbraw/zinc/90/32/50/488903250.db2.gz XJGILVKFWFDQEQ-MRVPVSSYSA-N -2 0 357.262 0.791 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)cc2)cs1 ZINC000324867182 488907756 /nfs/dbraw/zinc/90/77/56/488907756.db2.gz WYNASNFUDOKMHJ-UHFFFAOYSA-N -2 0 370.408 0.969 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC(N)=O)cc1 ZINC000325004624 488908315 /nfs/dbraw/zinc/90/83/15/488908315.db2.gz CUDHACXJWIYQES-UHFFFAOYSA-N -2 0 354.340 0.951 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cn1 ZINC000326625615 488916300 /nfs/dbraw/zinc/91/63/00/488916300.db2.gz OJDLYSRXBDKLAH-UHFFFAOYSA-N -2 0 372.790 0.782 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cn1 ZINC000268381414 488413527 /nfs/dbraw/zinc/41/35/27/488413527.db2.gz ZEZBRDIGHVVCMW-UHFFFAOYSA-N -2 0 366.399 0.745 20 0 FCADRL COC(=O)C(C)(C)CS(=O)(=O)NC[C@H](Oc1ccccc1)C(=O)[O-] ZINC000554433775 491201929 /nfs/dbraw/zinc/20/19/29/491201929.db2.gz TXXUQDHNKODTQG-LBPRGKRZSA-N -2 0 359.400 0.637 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N(C)[C@H](C)C(=O)[O-])c1 ZINC000262854731 488597114 /nfs/dbraw/zinc/59/71/14/488597114.db2.gz HEEHZZHKDNSGSA-MRVPVSSYSA-N -2 0 357.388 0.562 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000274770329 488732806 /nfs/dbraw/zinc/73/28/06/488732806.db2.gz LTKXINFNNLZSEH-SNVBAGLBSA-N -2 0 352.420 0.837 20 0 FCADRL CC[C@](C)(CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000274920214 488743838 /nfs/dbraw/zinc/74/38/38/488743838.db2.gz AXTUJNBLFVMLQR-CYBMUJFWSA-N -2 0 356.360 0.215 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)[O-] ZINC000274937137 488745514 /nfs/dbraw/zinc/74/55/14/488745514.db2.gz FKNKPFVMVAFKCZ-SNVBAGLBSA-N -2 0 370.383 0.415 20 0 FCADRL C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C3)ccc2O1 ZINC000274949330 488747073 /nfs/dbraw/zinc/74/70/73/488747073.db2.gz ADNIUBQNFVVPEA-ICCXJUOJSA-N -2 0 369.395 0.806 20 0 FCADRL CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000275045845 488756263 /nfs/dbraw/zinc/75/62/63/488756263.db2.gz RSUMOURLPQGLMW-SECBINFHSA-N -2 0 356.360 0.214 20 0 FCADRL O=C([O-])[C@H]1CC(=O)N(CC[N-]S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000275051159 488756724 /nfs/dbraw/zinc/75/67/24/488756724.db2.gz XEQMUEHVBWTNES-ZETCQYMHSA-N -2 0 366.317 0.315 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)C[C@H]1C(=O)[O-] ZINC000275068406 488758477 /nfs/dbraw/zinc/75/84/77/488758477.db2.gz GNNXGSGPGFPYGZ-WCBMZHEXSA-N -2 0 353.356 0.359 20 0 FCADRL COc1cccc(OC)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000275076322 488758997 /nfs/dbraw/zinc/75/89/97/488758997.db2.gz HUSOHWMZDMKYET-UWVGGRQHSA-N -2 0 373.383 0.500 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)CCC(=O)OCc1ccccc1)C(=O)[O-] ZINC000275090001 488760709 /nfs/dbraw/zinc/76/07/09/488760709.db2.gz OTDBQSHIDOIVKH-LBPRGKRZSA-N -2 0 373.383 0.357 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000275099018 488761478 /nfs/dbraw/zinc/76/14/78/488761478.db2.gz LHLPCDSZJJQNQG-NEPJUHHUSA-N -2 0 357.384 0.800 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)c(C)c1 ZINC000275102478 488761803 /nfs/dbraw/zinc/76/18/03/488761803.db2.gz LSCCUOXFTDMVEX-OAHLLOKOSA-N -2 0 357.384 0.944 20 0 FCADRL CC1(C)Cc2cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])ccc2O1 ZINC000275135677 488765032 /nfs/dbraw/zinc/76/50/32/488765032.db2.gz WCWMXGGDSOZKTR-NSHDSACASA-N -2 0 357.384 0.996 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)C[C@H]1C(=O)[O-] ZINC000275163301 488767550 /nfs/dbraw/zinc/76/75/50/488767550.db2.gz UHRNRPGKWNWUGS-RNFRBKRXSA-N -2 0 367.301 0.900 20 0 FCADRL COc1ccc(C)cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000275173250 488768785 /nfs/dbraw/zinc/76/87/85/488768785.db2.gz VUFHLSLXJKVPBB-MNOVXSKESA-N -2 0 357.384 0.800 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1)C(=O)[O-] ZINC000280666046 489023789 /nfs/dbraw/zinc/02/37/89/489023789.db2.gz OXVCYALWBWWDQL-ZCFIWIBFSA-N -2 0 371.289 0.881 20 0 FCADRL COC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000298235588 489307163 /nfs/dbraw/zinc/30/71/63/489307163.db2.gz GVOLYAFZIMHISW-JTQLQIEISA-N -2 0 359.356 0.378 20 0 FCADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(=O)NC)c1 ZINC000298854450 489374461 /nfs/dbraw/zinc/37/44/61/489374461.db2.gz MQNCTIXMRQFESE-UHFFFAOYSA-N -2 0 366.399 0.691 20 0 FCADRL COCCn1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cn1 ZINC000298871841 489376435 /nfs/dbraw/zinc/37/64/35/489376435.db2.gz UMAGLOKBWGUTTR-UHFFFAOYSA-N -2 0 355.372 0.794 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)N(C)C)n2)cc1C(=O)[O-] ZINC000299624875 489463509 /nfs/dbraw/zinc/46/35/09/489463509.db2.gz RCYOGFFFKJIWOG-UHFFFAOYSA-N -2 0 366.399 0.779 20 0 FCADRL CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n1 ZINC000299659001 489468163 /nfs/dbraw/zinc/46/81/63/489468163.db2.gz YWFKZDMKVKBVCH-UHFFFAOYSA-N -2 0 358.401 0.532 20 0 FCADRL COCCn1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)n1 ZINC000299660499 489468781 /nfs/dbraw/zinc/46/87/81/489468781.db2.gz ZFOMLQICUFJYAX-UHFFFAOYSA-N -2 0 355.372 0.794 20 0 FCADRL Cc1ccc(-n2[n-]nnc2=N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cc1 ZINC000416448586 489594122 /nfs/dbraw/zinc/59/41/22/489594122.db2.gz UIYJOANWRQVVFM-KBPBESRZSA-N -2 0 358.402 0.515 20 0 FCADRL CCn1cc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c(C(N)=O)n1 ZINC000430974824 489783136 /nfs/dbraw/zinc/78/31/36/489783136.db2.gz DZHCFQBSVFNQIO-UHFFFAOYSA-N -2 0 368.371 0.510 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)c[nH]1 ZINC000477397715 489962146 /nfs/dbraw/zinc/96/21/46/489962146.db2.gz DWNSRAUYIRCUFM-UHFFFAOYSA-N -2 0 356.381 0.844 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cccc2c1OC(F)(F)O2 ZINC000519810229 490086851 /nfs/dbraw/zinc/08/68/51/490086851.db2.gz KCDXCDNEHLSZRH-UHFFFAOYSA-N -2 0 353.255 0.168 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cccc(NS(N)(=O)=O)c2)cc1C(=O)[O-] ZINC000392086467 490146457 /nfs/dbraw/zinc/14/64/57/490146457.db2.gz GUCOBHKSTNYISI-UHFFFAOYSA-N -2 0 374.400 0.140 20 0 FCADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(N)=O)c1 ZINC000392156443 490147810 /nfs/dbraw/zinc/14/78/10/490147810.db2.gz HFWJRBARFPYHAQ-UHFFFAOYSA-N -2 0 356.335 0.315 20 0 FCADRL CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCc2nc([N-]S(C)(=O)=O)sc2C1 ZINC000520582087 490166006 /nfs/dbraw/zinc/16/60/06/490166006.db2.gz NBYQXPQUDCTGBM-ZJUUUORDSA-N -2 0 373.456 0.756 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cn1 ZINC000481949913 490238334 /nfs/dbraw/zinc/23/83/34/490238334.db2.gz APIYQUVHPOPTCS-UHFFFAOYSA-N -2 0 353.356 0.484 20 0 FCADRL O=C([O-])c1cccc(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c1 ZINC000547545205 490313519 /nfs/dbraw/zinc/31/35/19/490313519.db2.gz ILVZBOOQBOVZLB-UHFFFAOYSA-N -2 0 362.323 0.935 20 0 FCADRL CC(C)(C)C[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000547574466 490322050 /nfs/dbraw/zinc/32/20/50/490322050.db2.gz FAVZDOZIXCRBPE-SECBINFHSA-N -2 0 370.387 0.604 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C(=O)[O-] ZINC000547593021 490325576 /nfs/dbraw/zinc/32/55/76/490325576.db2.gz MQLYLZORMMGZFZ-RNFRBKRXSA-N -2 0 364.357 0.452 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC000547879706 490376029 /nfs/dbraw/zinc/37/60/29/490376029.db2.gz VHJPULKBRSDHMH-SECBINFHSA-N -2 0 372.380 0.740 20 0 FCADRL CC(C)C(=O)c1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000547889702 490377573 /nfs/dbraw/zinc/37/75/73/490377573.db2.gz JFNPEYXNZJXCHR-NSHDSACASA-N -2 0 357.384 0.979 20 0 FCADRL C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc21 ZINC000547900591 490382099 /nfs/dbraw/zinc/38/20/99/490382099.db2.gz WPZMVKXVCSWVSY-YUMQZZPRSA-N -2 0 356.356 0.196 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)N2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000547922139 490387259 /nfs/dbraw/zinc/38/72/59/490387259.db2.gz VWQBZRSHNZCSTR-DVOMOZLQSA-N -2 0 374.459 0.995 20 0 FCADRL CNC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000509586664 490440519 /nfs/dbraw/zinc/44/05/19/490440519.db2.gz QBSGLMZORRCUFQ-UHFFFAOYSA-N -2 0 353.356 0.882 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)Cc2c(F)cccc2F)C[C@@H]1C(=O)[O-] ZINC000548253658 490450408 /nfs/dbraw/zinc/45/04/08/490450408.db2.gz POPOAVYZZXNPFP-BDAKNGLRSA-N -2 0 363.338 0.902 20 0 FCADRL CCOC(=O)c1cccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000548263743 490453268 /nfs/dbraw/zinc/45/32/68/490453268.db2.gz ZESPSVMEJMVWBO-OAHLLOKOSA-N -2 0 373.383 0.707 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCO3)c[nH]1 ZINC000523457790 490466901 /nfs/dbraw/zinc/46/69/01/490466901.db2.gz UHNZWNHNSUKGDY-UHFFFAOYSA-N -3 0 368.323 0.983 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000535321999 490479646 /nfs/dbraw/zinc/47/96/46/490479646.db2.gz QHJUQZGVFHPUAW-SECBINFHSA-N -2 0 368.394 0.730 20 0 FCADRL CCS(=O)(=O)c1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cnn(C)c2)c1 ZINC000485044030 490496693 /nfs/dbraw/zinc/49/66/93/490496693.db2.gz VPEVXXDXLKGZNS-UHFFFAOYSA-N -2 0 373.412 0.713 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](Cc1ccco1)C(=O)[O-] ZINC000548544208 490501775 /nfs/dbraw/zinc/50/17/75/490501775.db2.gz SEPBQURIZMTVKF-QMMMGPOBSA-N -2 0 360.369 0.497 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](Cc1ccco1)C(=O)[O-] ZINC000548544207 490501863 /nfs/dbraw/zinc/50/18/63/490501863.db2.gz SEPBQURIZMTVKF-MRVPVSSYSA-N -2 0 360.369 0.497 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000548546314 490503200 /nfs/dbraw/zinc/50/32/00/490503200.db2.gz HQYNVTSCSSNGHN-ZCFIWIBFSA-N -2 0 356.278 0.554 20 0 FCADRL COCc1ccccc1S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000548573254 490508513 /nfs/dbraw/zinc/50/85/13/490508513.db2.gz FYLSOFLEJOYXEE-OAHLLOKOSA-N -2 0 357.384 0.773 20 0 FCADRL CCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000548580258 490509662 /nfs/dbraw/zinc/50/96/62/490509662.db2.gz NYDWKQRQDGNQMV-NSHDSACASA-N -2 0 358.372 0.631 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])ccc1C ZINC000548591415 490513457 /nfs/dbraw/zinc/51/34/57/490513457.db2.gz DVSIQOCRNRKVIH-HNNXBMFYSA-N -2 0 373.383 0.626 20 0 FCADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(N)=O)nc1 ZINC000501251113 490591380 /nfs/dbraw/zinc/59/13/80/490591380.db2.gz CAHAFMGTGRXTKK-UHFFFAOYSA-N -2 0 351.340 0.694 20 0 FCADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(N)=O)nc1 ZINC000501272058 490593104 /nfs/dbraw/zinc/59/31/04/490593104.db2.gz QQYCRLTUORSIQM-UHFFFAOYSA-N -2 0 365.367 0.617 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1CC(=O)[O-] ZINC000536993224 490632076 /nfs/dbraw/zinc/63/20/76/490632076.db2.gz LXMUMZAJSSVYRN-UHFFFAOYSA-N -3 0 369.355 0.555 20 0 FCADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cccc(NS(N)(=O)=O)c2)c1 ZINC000537196007 490660226 /nfs/dbraw/zinc/66/02/26/490660226.db2.gz LHRUHJRLNJVGFW-UHFFFAOYSA-N -2 0 373.412 0.817 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cccc3c2oc(=O)n3C)cc1C(=O)[O-] ZINC000512743707 490696372 /nfs/dbraw/zinc/69/63/72/490696372.db2.gz ZHCDIKMHZPPSCB-UHFFFAOYSA-N -2 0 351.340 0.969 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1C ZINC000504293046 490794089 /nfs/dbraw/zinc/79/40/89/490794089.db2.gz IWCZVUKVUJMYMR-UHFFFAOYSA-N -2 0 366.399 0.365 20 0 FCADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000504520179 490802925 /nfs/dbraw/zinc/80/29/25/490802925.db2.gz XITYJWHNZUFPPK-UHFFFAOYSA-N -2 0 373.412 0.631 20 0 FCADRL COc1cc(OC)c(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1Cl ZINC000572577947 491379767 /nfs/dbraw/zinc/37/97/67/491379767.db2.gz ZSFJLFJYBCDANJ-SSDOTTSWSA-N -2 0 367.763 0.563 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)c2cccc3c2OCO3)C[C@H]1C(=O)[O-] ZINC000573388099 491430816 /nfs/dbraw/zinc/43/08/16/491430816.db2.gz HILLTTLXKYUCFC-DTWKUNHWSA-N -2 0 357.340 0.211 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)C[C@H]1C(=O)[O-] ZINC000574662742 491511898 /nfs/dbraw/zinc/51/18/98/491511898.db2.gz SUVPJOSZWWOACY-IGQOVBAYSA-N -2 0 353.396 0.980 20 0 FCADRL CNC(=O)c1ccc(CS(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc1 ZINC000578775817 491684277 /nfs/dbraw/zinc/68/42/77/491684277.db2.gz LLHIRERVQZGPAP-GFCCVEGCSA-N -2 0 372.399 0.174 20 0 FCADRL CCOC(=O)Cc1cccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000585818910 491730691 /nfs/dbraw/zinc/73/06/91/491730691.db2.gz IGMWOJGYJDXBLB-GFCCVEGCSA-N -2 0 373.383 0.389 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCO3)cn1C ZINC000589149330 491756485 /nfs/dbraw/zinc/75/64/85/491756485.db2.gz JEQYNSBXOGIIHK-UHFFFAOYSA-N -2 0 353.356 0.999 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccnn2C)o1 ZINC000581483875 491774732 /nfs/dbraw/zinc/77/47/32/491774732.db2.gz KURRTWMDAHVDMY-NSHDSACASA-N -2 0 357.344 0.294 20 0 FCADRL CCOC(=O)C1CCN(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])CC1 ZINC000584253596 491861697 /nfs/dbraw/zinc/86/16/97/491861697.db2.gz FALDFMKBGHDAMT-UHFFFAOYSA-N -2 0 360.392 0.050 20 0 FCADRL Cn1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1=O ZINC000607103540 492138531 /nfs/dbraw/zinc/13/85/31/492138531.db2.gz FKYQBCFRXRXKJJ-UHFFFAOYSA-N -2 0 352.324 0.583 20 0 FCADRL CC(C)Cc1nc(=NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])s[n-]1 ZINC000618349995 492225622 /nfs/dbraw/zinc/22/56/22/492225622.db2.gz LLMXOSTWHSHIHE-UHFFFAOYSA-N -2 0 356.429 0.764 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655568422 492458149 /nfs/dbraw/zinc/45/81/49/492458149.db2.gz JTBPVRZQYUWUOD-LBPRGKRZSA-N -2 0 359.386 0.963 20 0 FCADRL Cc1ncc(S(=O)(=O)[N-]c2cc3c(c(C(=O)[O-])c2)OCCO3)n1C ZINC000629289150 492602900 /nfs/dbraw/zinc/60/29/00/492602900.db2.gz DWIRAEBBIOCAIL-UHFFFAOYSA-N -2 0 353.356 0.999 20 0 FCADRL CC[C@H](NC(=O)c1cc([N-]S(C)(=O)=O)c(OC)c(OC)c1)C(=O)[O-] ZINC000647254933 493185657 /nfs/dbraw/zinc/18/56/57/493185657.db2.gz QHKAALMRAOLYLW-VIFPVBQESA-N -2 0 360.388 0.668 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1)C(=O)[O-] ZINC000681563485 493186675 /nfs/dbraw/zinc/18/66/75/493186675.db2.gz SKRBKYUKXQOJRB-SSDOTTSWSA-N -2 0 356.278 0.697 20 0 FCADRL O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000666570727 493204219 /nfs/dbraw/zinc/20/42/19/493204219.db2.gz NEJPJUONTOPFNA-KGLIPLIRSA-N -2 0 350.371 0.958 20 0 FCADRL Cc1noc2ncc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc12 ZINC000683924939 493380316 /nfs/dbraw/zinc/38/03/16/493380316.db2.gz FIJLYNNFOGRTCZ-SNVBAGLBSA-N -2 0 357.344 0.518 20 0 FCADRL O=C([O-])Cc1ccc(C[C@@H](NS(=O)(=O)c2cccnc2)C(=O)[O-])cc1 ZINC000684561850 493419103 /nfs/dbraw/zinc/41/91/03/493419103.db2.gz MVUMJQAUDCRHQS-CQSZACIVSA-N -2 0 364.379 0.683 20 0 FCADRL O=C([O-])Cc1ccc(C[C@@H](NS(=O)(=O)[C@H]2CCOC2)C(=O)[O-])cc1 ZINC000684562527 493419117 /nfs/dbraw/zinc/41/91/17/493419117.db2.gz ZUBUHRCMHSHMQD-QWHCGFSZSA-N -2 0 357.384 0.018 20 0 FCADRL Cn1cnc(S(=O)(=O)N[C@H](Cc2ccc(CC(=O)[O-])cc2)C(=O)[O-])c1 ZINC000684562251 493419236 /nfs/dbraw/zinc/41/92/36/493419236.db2.gz VDZDDTGHKIQQLS-GFCCVEGCSA-N -2 0 367.383 0.021 20 0 FCADRL CC(C)CN(C)S(=O)(=O)N[C@@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684561413 493419314 /nfs/dbraw/zinc/41/93/14/493419314.db2.gz BJAQHUQGYGWONQ-AWEZNQCLSA-N -2 0 372.443 0.732 20 0 FCADRL O=C(c1cc(=O)[nH][n-]1)N1CCN(C(=O)c2cc(=O)[nH][n-]2)C2(CCCCC2)C1 ZINC000669243379 493481896 /nfs/dbraw/zinc/48/18/96/493481896.db2.gz BBUSVVDDPWXOOG-UHFFFAOYSA-N -2 0 374.401 0.845 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cnn(CCO)c2)cc1CC(=O)[O-] ZINC000678716757 493657472 /nfs/dbraw/zinc/65/74/72/493657472.db2.gz MLASASPYFSPPJW-UHFFFAOYSA-N -2 0 355.372 0.312 20 0 FCADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]NC(=O)c2ccccc2F)cc1 ZINC000047906682 674350356 /nfs/dbraw/zinc/35/03/56/674350356.db2.gz UUVOJKYKKRKTSG-UHFFFAOYSA-N -2 0 368.342 0.912 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1F ZINC000278193145 546868817 /nfs/dbraw/zinc/86/88/17/546868817.db2.gz RLWWXQMMEXCIHH-SSDOTTSWSA-N -2 0 363.319 0.066 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)cc1C(=O)[O-] ZINC000271093463 547391290 /nfs/dbraw/zinc/39/12/90/547391290.db2.gz VOQSRTOOQXEEAQ-UHFFFAOYSA-N -2 0 355.376 0.079 20 0 FCADRL CCc1nc2cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])ccc2o1 ZINC000275097687 547394961 /nfs/dbraw/zinc/39/49/61/547394961.db2.gz QBJKXYHYNZZFBV-VIFPVBQESA-N -2 0 356.356 0.987 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c(F)c1 ZINC000391800747 547415496 /nfs/dbraw/zinc/41/54/96/547415496.db2.gz CCMRFRVQRGYSBP-SNVBAGLBSA-N -2 0 362.335 0.380 20 0 FCADRL O=C([O-])[C@H]1CC(C(=O)NC2(c3nnn[n-]3)CCCC2)=NN1c1ccccc1 ZINC000740391406 597041185 /nfs/dbraw/zinc/04/11/85/597041185.db2.gz AQRXLIRESUFCQB-CYBMUJFWSA-N -2 0 369.385 0.805 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])s1 ZINC000739792939 597105542 /nfs/dbraw/zinc/10/55/42/597105542.db2.gz PNAAPUMBJXHDBT-UHFFFAOYSA-N -2 0 353.399 0.157 20 0 FCADRL COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)CSCC(=O)[O-])cc1 ZINC000739784895 597106523 /nfs/dbraw/zinc/10/65/23/597106523.db2.gz GNNUSWHNZKGKCY-UHFFFAOYSA-N -2 0 361.397 0.237 20 0 FCADRL O=C([O-])[C@H]1CC(C(=O)NCCCc2n[nH]c(=O)[n-]2)=NN1c1ccccc1 ZINC000819181668 597484425 /nfs/dbraw/zinc/48/44/25/597484425.db2.gz TYCASFYDHUAVRP-GFCCVEGCSA-N -2 0 358.358 0.279 20 0 FCADRL CC(=O)NCCN(C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)[C@H](C)C(=O)[O-] ZINC000262290046 597685644 /nfs/dbraw/zinc/68/56/44/597685644.db2.gz YGYKQDWIIYQDTD-GFCCVEGCSA-N -2 0 374.397 0.525 20 0 FCADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c1 ZINC000738342669 599738320 /nfs/dbraw/zinc/73/83/20/599738320.db2.gz ONBWLMQDAMXMAO-UHFFFAOYSA-N -3 0 355.328 0.481 20 0 FCADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)n1 ZINC000739920541 599739830 /nfs/dbraw/zinc/73/98/30/599739830.db2.gz RJDPHXHBTPTJGJ-UHFFFAOYSA-N -3 0 365.367 0.955 20 0 FCADRL CCCc1c(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)[nH]c(C)c1C(=O)[O-] ZINC000737044590 599741265 /nfs/dbraw/zinc/74/12/65/599741265.db2.gz XDJAUJMYQCTCBP-UHFFFAOYSA-N -2 0 355.376 0.748 20 0 FCADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-] ZINC000738037993 599797107 /nfs/dbraw/zinc/79/71/07/599797107.db2.gz AVWNIVHNIQSHKH-UHFFFAOYSA-N -2 0 373.387 0.506 20 0 FCADRL O=C([O-])NCCC(=O)[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000739938167 599797454 /nfs/dbraw/zinc/79/74/54/599797454.db2.gz NUWSQKBNXWWATC-UHFFFAOYSA-N -2 0 351.178 0.912 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000737654966 599863901 /nfs/dbraw/zinc/86/39/01/599863901.db2.gz XZOWFTBIHCAFLN-NSHDSACASA-N -2 0 359.356 0.559 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000737653369 599870430 /nfs/dbraw/zinc/87/04/30/599870430.db2.gz GTBOEOQDEAWDKX-NSHDSACASA-N -2 0 357.340 0.409 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000739741353 599877711 /nfs/dbraw/zinc/87/77/11/599877711.db2.gz BVVHLSQENIGHIR-LLVKDONJSA-N -2 0 356.400 0.812 20 0 FCADRL COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@H](NC(=O)[O-])C(C)C)cc1 ZINC000737691372 599885486 /nfs/dbraw/zinc/88/54/86/599885486.db2.gz NHLYSWHRNRIRKS-GFCCVEGCSA-N -2 0 372.399 0.711 20 0 FCADRL COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-])c1 ZINC000738048422 599911035 /nfs/dbraw/zinc/91/10/35/599911035.db2.gz QGORYTHNPBESGW-UHFFFAOYSA-N -2 0 360.388 0.899 20 0 FCADRL CN(CCCC(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1)C(=O)[O-] ZINC000737426666 599912664 /nfs/dbraw/zinc/91/26/64/599912664.db2.gz IOKPBAMBRBYRNW-UHFFFAOYSA-N -2 0 372.403 0.050 20 0 FCADRL O=C([O-])c1ccc(OCCNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)cc1 ZINC000740163976 599922581 /nfs/dbraw/zinc/92/25/81/599922581.db2.gz GYVDKFLDGJLCHF-UHFFFAOYSA-N -2 0 370.321 0.943 20 0 FCADRL COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(C)C ZINC000737631525 599965813 /nfs/dbraw/zinc/96/58/13/599965813.db2.gz AJOPLMDCYQEEHJ-LBPRGKRZSA-N -2 0 372.399 0.711 20 0 FCADRL Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1n[n-]c2nc(=O)c(C)nn21 ZINC000738527821 600003725 /nfs/dbraw/zinc/00/37/25/600003725.db2.gz FEAYXZQFFVTDEV-UHFFFAOYSA-N -2 0 374.382 0.858 20 0 FCADRL NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000739201275 600093246 /nfs/dbraw/zinc/09/32/46/600093246.db2.gz NMFNYGVQUZUBMM-UHFFFAOYSA-N -2 0 374.371 0.972 20 0 FCADRL C[C@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736699525 600129432 /nfs/dbraw/zinc/12/94/32/600129432.db2.gz DLTMTMFKDXTSGK-DTWKUNHWSA-N -2 0 363.413 0.835 20 0 FCADRL C[C@@H](CN(Cc1ccccc1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)[O-] ZINC000736582501 600152686 /nfs/dbraw/zinc/15/26/86/600152686.db2.gz IPFJRAKZWFJPIO-LBPRGKRZSA-N -2 0 369.381 0.821 20 0 FCADRL O=C([O-])CCCc1nc(CN2[N-]S(=O)(=O)c3ccccc3C2=O)no1 ZINC000739704579 600184623 /nfs/dbraw/zinc/18/46/23/600184623.db2.gz WBJCDTCIMULMOJ-UHFFFAOYSA-N -2 0 366.355 0.326 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(OCC(N)=O)c2)c1C(=O)[O-] ZINC000738828523 600231028 /nfs/dbraw/zinc/23/10/28/600231028.db2.gz ZBFHPPDQLBKBKA-UHFFFAOYSA-N -2 0 354.344 0.081 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(-c3nnnn3C)c2)c1C(=O)[O-] ZINC000738828191 600231073 /nfs/dbraw/zinc/23/10/73/600231073.db2.gz QRUOOUYBBLOMOU-UHFFFAOYSA-N -2 0 363.359 0.408 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)C)c1C(=O)[O-] ZINC000738827599 600232080 /nfs/dbraw/zinc/23/20/80/600232080.db2.gz ILRZHLSSKMANJG-UHFFFAOYSA-N -2 0 352.372 0.919 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)ccc2C)c1C(=O)[O-] ZINC000738660893 600232157 /nfs/dbraw/zinc/23/21/57/600232157.db2.gz XUTHKNUXYNVPEC-UHFFFAOYSA-N -2 0 374.400 0.173 20 0 FCADRL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-])c1 ZINC000737360271 600246884 /nfs/dbraw/zinc/24/68/84/600246884.db2.gz HKVWZSZBMQKEFD-UHFFFAOYSA-N -2 0 371.415 0.583 20 0 FCADRL COCCN(CC(=O)[O-])C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000737775287 600386310 /nfs/dbraw/zinc/38/63/10/600386310.db2.gz JHARBYBFJZIICI-UHFFFAOYSA-N -2 0 351.384 0.395 20 0 FCADRL COCCN(CC(=O)[O-])Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1 ZINC000737779069 600396072 /nfs/dbraw/zinc/39/60/72/600396072.db2.gz HSZAOWMCTVNLNY-UHFFFAOYSA-N -2 0 369.399 0.613 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(-c3ncccn3)c2)ccc1O ZINC000740089273 600396309 /nfs/dbraw/zinc/39/63/09/600396309.db2.gz COBAWRGAZBGLIQ-UHFFFAOYSA-N -2 0 361.339 0.867 20 0 FCADRL Cc1ccc(N2C[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC2=O)cc1 ZINC000738614399 600461657 /nfs/dbraw/zinc/46/16/57/600461657.db2.gz LYFTYTARXYKRGO-GFCCVEGCSA-N -2 0 368.411 0.659 20 0 FCADRL CC1CCC(N2C[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC2=O)CC1 ZINC000736763978 600462088 /nfs/dbraw/zinc/46/20/88/600462088.db2.gz ZPSVTNHNJLXPKS-CPCZMJQVSA-N -2 0 374.459 0.724 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000739695600 600462101 /nfs/dbraw/zinc/46/21/01/600462101.db2.gz KJDHMBRVLYXVIT-LLVKDONJSA-N -2 0 354.384 0.350 20 0 FCADRL COc1ccc(CCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1OC ZINC000737986497 600462443 /nfs/dbraw/zinc/46/24/43/600462443.db2.gz BWTKANMRXXQRFH-UHFFFAOYSA-N -2 0 359.400 0.947 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cnn(Cc2ccccc2)c1 ZINC000739696202 600463053 /nfs/dbraw/zinc/46/30/53/600463053.db2.gz KDYLFKOSQVKCOO-UHFFFAOYSA-N -2 0 351.384 0.856 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)C1CCN(CC(F)(F)F)CC1 ZINC000739695083 600466026 /nfs/dbraw/zinc/46/60/26/600466026.db2.gz CAQRLFAZAGZJLL-UHFFFAOYSA-N -2 0 360.354 0.572 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000324669955 600530203 /nfs/dbraw/zinc/53/02/03/600530203.db2.gz KKBJGUKQMOCYEE-UHFFFAOYSA-N -2 0 356.316 0.685 20 0 FCADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC000738291566 600530695 /nfs/dbraw/zinc/53/06/95/600530695.db2.gz VNHVQBYXRDBWHA-UHFFFAOYSA-N -3 0 357.319 0.914 20 0 FCADRL Cc1ncc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c(C(C)C)n1 ZINC000738882470 600551176 /nfs/dbraw/zinc/55/11/76/600551176.db2.gz WNWOYOKWLJPEFI-UHFFFAOYSA-N -2 0 370.431 0.680 20 0 FCADRL CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000324887586 600671702 /nfs/dbraw/zinc/67/17/02/600671702.db2.gz SILFNQGPMKCRPN-UHFFFAOYSA-N -2 0 352.372 0.470 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)cn1 ZINC000326768674 600673951 /nfs/dbraw/zinc/67/39/51/600673951.db2.gz QGYQVALQQZTNRU-UHFFFAOYSA-N -2 0 364.383 0.895 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CC3)c2)cn1 ZINC000326780939 600674256 /nfs/dbraw/zinc/67/42/56/600674256.db2.gz ULGBUYGOBKMIHJ-UHFFFAOYSA-N -2 0 364.383 0.661 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)cn1 ZINC000831192640 600675839 /nfs/dbraw/zinc/67/58/39/600675839.db2.gz QEOQDCSXJGMZKB-UHFFFAOYSA-N -2 0 369.355 0.320 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)ccc1S(N)(=O)=O ZINC000728184291 600680456 /nfs/dbraw/zinc/68/04/56/600680456.db2.gz FWPVWBAWHLNCQF-UHFFFAOYSA-N -2 0 359.385 0.470 20 0 FCADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000738092659 600686110 /nfs/dbraw/zinc/68/61/10/600686110.db2.gz OCWZEHUKQGZQSE-UHFFFAOYSA-N -3 0 355.328 0.924 20 0 FCADRL Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccn2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000832864256 600975002 /nfs/dbraw/zinc/97/50/02/600975002.db2.gz YTAQVTSVGYRUPK-LLVKDONJSA-N -2 0 355.310 0.695 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)cn1 ZINC000831192127 600976934 /nfs/dbraw/zinc/97/69/34/600976934.db2.gz BDPFYRBPORUTBX-UHFFFAOYSA-N -2 0 360.373 0.320 20 0 FCADRL CCOC(=O)c1ncccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000829895613 600978713 /nfs/dbraw/zinc/97/87/13/600978713.db2.gz VWMHKMOXSRBTSH-UHFFFAOYSA-N -2 0 354.344 0.340 20 0 FCADRL COCCOc1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1C ZINC000831779176 600986798 /nfs/dbraw/zinc/98/67/98/600986798.db2.gz DXBKSOPBJHMRKC-UHFFFAOYSA-N -2 0 370.387 0.497 20 0 FCADRL COCCOc1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1 ZINC000831779897 600987201 /nfs/dbraw/zinc/98/72/01/600987201.db2.gz XGXWAQWGVBHLAW-UHFFFAOYSA-N -2 0 356.360 0.189 20 0 FCADRL C[C@@H](C(=O)[O-])[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccccc1 ZINC000826039479 601163867 /nfs/dbraw/zinc/16/38/67/601163867.db2.gz UEPBIVOZZMIGHC-QMTHXVAHSA-N -2 0 355.354 0.649 20 0 FCADRL COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000831568087 601301154 /nfs/dbraw/zinc/30/11/54/601301154.db2.gz XSEVZQMGVQWBSX-INIZCTEOSA-N -2 0 365.411 0.832 20 0 FCADRL Cn1ncc2cc(C(=O)[N-]S(=O)(=O)c3ccsc3C(=O)[O-])cnc21 ZINC000833062166 601302967 /nfs/dbraw/zinc/30/29/67/601302967.db2.gz ZVEKXCUVAIGRQY-UHFFFAOYSA-N -2 0 366.380 0.847 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cn1 ZINC000326850094 601324198 /nfs/dbraw/zinc/32/41/98/601324198.db2.gz OMUNVMZANIIUSN-DAXSKMNVSA-N -2 0 364.383 0.528 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC000833081804 601333328 /nfs/dbraw/zinc/33/33/28/601333328.db2.gz JHAOFYAFNVQKTM-ZZXKWVIFSA-N -2 0 364.383 0.657 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)ccc1F ZINC000831353626 601361336 /nfs/dbraw/zinc/36/13/36/601361336.db2.gz KSQDIURRYLBHDN-UHFFFAOYSA-N -2 0 358.307 0.089 20 0 FCADRL COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000831644389 601500599 /nfs/dbraw/zinc/50/05/99/601500599.db2.gz ZJMLJGOIWONYTI-NSHDSACASA-N -2 0 359.400 0.861 20 0 FCADRL O=C(CCSc1ccccn1)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000833100870 601598655 /nfs/dbraw/zinc/59/86/55/601598655.db2.gz JASOMNRRWIHJCO-UHFFFAOYSA-N -2 0 373.456 0.721 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)N3CC[C@@](F)(C(=O)[O-])C3)cc2[n-]c1=S ZINC000833039808 601716435 /nfs/dbraw/zinc/71/64/35/601716435.db2.gz RBBQXHRTLSIIFC-HNNXBMFYSA-N -2 0 351.359 0.861 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)cc2[n-]c1=S ZINC000833039970 601741893 /nfs/dbraw/zinc/74/18/93/601741893.db2.gz YBURNYURJCRMBF-JTQLQIEISA-N -2 0 363.395 0.538 20 0 FCADRL O=C([O-])CCCc1csc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1 ZINC000833229127 601744059 /nfs/dbraw/zinc/74/40/59/601744059.db2.gz BPMQBNCIJQGYDN-UHFFFAOYSA-N -2 0 362.371 0.574 20 0 FCADRL O=C([O-])[C@]1(NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)CCOC1 ZINC000833103943 601767759 /nfs/dbraw/zinc/76/77/59/601767759.db2.gz NOGGCIRSILKTJT-INIZCTEOSA-N -2 0 363.395 0.435 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)Cc1ccn(-c2ccccc2)n1 ZINC000833228078 601770270 /nfs/dbraw/zinc/77/02/70/601770270.db2.gz FPRDELXGABVITP-UHFFFAOYSA-N -2 0 351.384 0.726 20 0 FCADRL CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)cc1 ZINC000831039008 601784152 /nfs/dbraw/zinc/78/41/52/601784152.db2.gz XCCPQRGHFFJNJL-UHFFFAOYSA-N -2 0 373.412 0.432 20 0 FCADRL Cc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n(-c2ccccc2)n1 ZINC000833002938 601795633 /nfs/dbraw/zinc/79/56/33/601795633.db2.gz IWLNWJBYLPIZJW-UHFFFAOYSA-N -2 0 361.383 0.835 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1)c1ccccc1F ZINC000831083675 601811519 /nfs/dbraw/zinc/81/15/19/601811519.db2.gz AKLOKFPEQNIPSF-CYBMUJFWSA-N -2 0 371.346 0.299 20 0 FCADRL NC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC000319902095 601827168 /nfs/dbraw/zinc/82/71/68/601827168.db2.gz XKOQIARKNFTIPP-UHFFFAOYSA-N -2 0 358.763 0.521 20 0 FCADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1 ZINC000831226516 601860942 /nfs/dbraw/zinc/86/09/42/601860942.db2.gz NSSPOZSFLMGZAQ-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL Cc1nn(CC(F)(F)F)cc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000833015530 602037684 /nfs/dbraw/zinc/03/76/84/602037684.db2.gz HEZWRTOOQADSEJ-UHFFFAOYSA-N -2 0 357.310 0.678 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2nnc(-c3ccco3)s2)cn1 ZINC000833274308 602101598 /nfs/dbraw/zinc/10/15/98/602101598.db2.gz YRQFWPNGHPLDNU-UHFFFAOYSA-N -2 0 355.357 0.880 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](NC(=O)[O-])C(C)C)cc1C(N)=O ZINC000738295791 602686563 /nfs/dbraw/zinc/68/65/63/602686563.db2.gz LDDJCWSCGUKYNT-LLVKDONJSA-N -2 0 357.388 0.191 20 0 FCADRL CC(C)[C@@H](CCO)NC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1 ZINC000826688096 604309978 /nfs/dbraw/zinc/30/99/78/604309978.db2.gz UTGSWUWPLAPZKK-OAHLLOKOSA-N -2 0 361.398 0.930 20 0 FCADRL COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@@H](NC(=O)[O-])C(C)C)cc1 ZINC000737691374 604375420 /nfs/dbraw/zinc/37/54/20/604375420.db2.gz NHLYSWHRNRIRKS-LBPRGKRZSA-N -2 0 372.399 0.711 20 0 FCADRL CS(=O)(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833737917 604688932 /nfs/dbraw/zinc/68/89/32/604688932.db2.gz NQMLMEWMEHPFBE-UHFFFAOYSA-N -2 0 371.396 0.952 20 0 FCADRL O=C([O-])[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000833361403 604732163 /nfs/dbraw/zinc/73/21/63/604732163.db2.gz VWQYGDPFOHIODJ-RITPCOANSA-N -2 0 374.758 0.197 20 0 FCADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000827303728 604732231 /nfs/dbraw/zinc/73/22/31/604732231.db2.gz IQCXLKRLVAQXOU-LLVKDONJSA-N -2 0 357.384 0.677 20 0 FCADRL COC1CCC(CC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000833719423 604770118 /nfs/dbraw/zinc/77/01/18/604770118.db2.gz NTZYOTYMFIICBI-UHFFFAOYSA-N -2 0 362.448 0.739 20 0 FCADRL CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000828557861 604816811 /nfs/dbraw/zinc/81/68/11/604816811.db2.gz OAULCQYXNKOZFN-QMMMGPOBSA-N -2 0 360.413 0.510 20 0 FCADRL CS(=O)(=O)[N-]c1ccccc1C(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000832703973 604835977 /nfs/dbraw/zinc/83/59/77/604835977.db2.gz OQPQUXVUFIXVNQ-UHFFFAOYSA-N -2 0 368.371 0.134 20 0 FCADRL O=C([O-])c1ccncc1C(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000833334172 604870949 /nfs/dbraw/zinc/87/09/49/604870949.db2.gz APFLWZSWYMVAHP-UHFFFAOYSA-N -2 0 361.335 0.959 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NC2CN(C(=O)[O-])C2)c1 ZINC000738571813 604948694 /nfs/dbraw/zinc/94/86/94/604948694.db2.gz JNZXYTNYAMZTJK-UHFFFAOYSA-N -2 0 370.387 0.109 20 0 FCADRL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000820640638 605230778 /nfs/dbraw/zinc/23/07/78/605230778.db2.gz HZDUVQRSZKYUSO-UHFFFAOYSA-N -2 0 362.363 0.863 20 0 FCADRL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H](NC(=O)[O-])C(C)C)cc1 ZINC000833700809 605231671 /nfs/dbraw/zinc/23/16/71/605231671.db2.gz SIAIMHSAGNBVHA-LLVKDONJSA-N -2 0 357.388 0.143 20 0 FCADRL CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000833397609 605291954 /nfs/dbraw/zinc/29/19/54/605291954.db2.gz FNWAZPFUMDNGHO-AWEZNQCLSA-N -2 0 370.427 0.882 20 0 FCADRL O=C([O-])NCC(=O)[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000833777255 605406175 /nfs/dbraw/zinc/40/61/75/605406175.db2.gz JYLGJYDLBMGHEO-UHFFFAOYSA-N -2 0 357.266 0.095 20 0 FCADRL CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)s1 ZINC000833446636 605635914 /nfs/dbraw/zinc/63/59/14/605635914.db2.gz GWSQYSOIHNYXOJ-UHFFFAOYSA-N -2 0 367.387 0.822 20 0 FCADRL O=C([O-])NCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nncs2)cc1 ZINC000833777343 605995776 /nfs/dbraw/zinc/99/57/76/605995776.db2.gz NRWDHGXLUAXPNF-UHFFFAOYSA-N -2 0 357.373 0.545 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2O)c[nH]1 ZINC000823387450 606338170 /nfs/dbraw/zinc/33/81/70/606338170.db2.gz KNPZECZXNHEXPR-UHFFFAOYSA-N -2 0 350.316 0.399 20 0 FCADRL Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n1 ZINC000822623178 606711486 /nfs/dbraw/zinc/71/14/86/606711486.db2.gz QALJNAWTUCYFFX-UHFFFAOYSA-N -2 0 355.361 0.161 20 0 FCADRL N#Cc1ccccc1CS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000325567595 663288663 /nfs/dbraw/zinc/28/86/63/663288663.db2.gz KRMGQDFJVDQSMF-CHWSQXEVSA-N -2 0 352.368 0.495 20 0 FCADRL N#Cc1ccccc1CS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000325567600 663288700 /nfs/dbraw/zinc/28/87/00/663288700.db2.gz KRMGQDFJVDQSMF-QWHCGFSZSA-N -2 0 352.368 0.495 20 0 FCADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)C2(Cl)CC2)c1 ZINC000893233751 664217724 /nfs/dbraw/zinc/21/77/24/664217724.db2.gz QVQBRJLOWQMGEI-FQEVSTJZSA-N -2 0 351.833 0.978 20 0 FCADRL O=C([O-])[C@@H](NC(=O)c1cnc(I)c([O-])c1)C1CC1 ZINC000909041039 666224200 /nfs/dbraw/zinc/22/42/00/666224200.db2.gz SJYGGKGCKCJRIH-QMMMGPOBSA-N -2 0 362.123 0.985 20 0 FCADRL COc1cccc(C(=O)N[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1O ZINC000057120620 666554506 /nfs/dbraw/zinc/55/45/06/666554506.db2.gz ZEVVIUIDNLTOFX-UHFFFAOYSA-N -2 0 366.351 0.722 20 0 FCADRL COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)C(=O)[O-] ZINC000731048729 666803533 /nfs/dbraw/zinc/80/35/33/666803533.db2.gz DNFJLZWWTDJZSC-QMMMGPOBSA-N -2 0 365.747 0.333 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)C1=O ZINC000916105125 666991250 /nfs/dbraw/zinc/99/12/50/666991250.db2.gz PAQCAODINWNEHU-AWEZNQCLSA-N -2 0 355.372 0.607 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)C1=O ZINC000917060726 667049959 /nfs/dbraw/zinc/04/99/59/667049959.db2.gz CHSNAMHCJUEUMQ-OAHLLOKOSA-N -2 0 369.399 0.618 20 0 FCADRL Cc1cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])sc1C(=O)[O-] ZINC000917716624 667083797 /nfs/dbraw/zinc/08/37/97/667083797.db2.gz XBNBUGWZZAVXLM-LURJTMIESA-N -3 0 351.358 0.351 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2)C(=O)[O-] ZINC000917716832 667083812 /nfs/dbraw/zinc/08/38/12/667083812.db2.gz DXOKGMNHUAMFTQ-JTQLQIEISA-N -3 0 357.340 0.080 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc2c1OCCO2 ZINC000919724180 667197266 /nfs/dbraw/zinc/19/72/66/667197266.db2.gz LDYHWOBQRPENAF-UHFFFAOYSA-N -2 0 371.367 0.641 20 0 FCADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cc1C(=O)[O-] ZINC000753776078 667565832 /nfs/dbraw/zinc/56/58/32/667565832.db2.gz PXNDIINBVKBEBV-UHFFFAOYSA-N -2 0 356.335 0.315 20 0 FCADRL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000754355306 667593501 /nfs/dbraw/zinc/59/35/01/667593501.db2.gz QQFBGPNTWAUISI-UHFFFAOYSA-N -2 0 361.383 0.965 20 0 FCADRL COc1cc[nH]c(=N[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)n1 ZINC000756931607 667691879 /nfs/dbraw/zinc/69/18/79/667691879.db2.gz UZXGJLDMZXGQCB-UHFFFAOYSA-N -2 0 360.298 0.767 20 0 FCADRL Cc1[nH]nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1C(N)=O ZINC000760515598 667852553 /nfs/dbraw/zinc/85/25/53/667852553.db2.gz NIJPVMGAMRAZGO-UHFFFAOYSA-N -2 0 358.763 0.969 20 0 FCADRL COc1cc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cnc1Cl ZINC000776584504 668274248 /nfs/dbraw/zinc/27/42/48/668274248.db2.gz JBMPVIMZSURVTB-GFCCVEGCSA-N -2 0 366.779 0.588 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1c(Cl)nc2sccn21)C(=O)[O-] ZINC000776631727 668280904 /nfs/dbraw/zinc/28/09/04/668280904.db2.gz CEKRSSSWFKGFRN-RXMQYKEDSA-N -2 0 367.792 0.503 20 0 FCADRL COc1cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cnc1Cl ZINC000776636217 668281323 /nfs/dbraw/zinc/28/13/23/668281323.db2.gz VYELRIXJGRXOOM-ZCFIWIBFSA-N -2 0 352.752 0.197 20 0 FCADRL COC(=O)c1ccc(F)c(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000776635809 668281325 /nfs/dbraw/zinc/28/13/25/668281325.db2.gz UCPJGCHZPSYPSK-QMMMGPOBSA-N -2 0 363.319 0.066 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccc3c2COC3=O)C[C@@H]1C(=O)[O-] ZINC000776718323 668290225 /nfs/dbraw/zinc/29/02/25/668290225.db2.gz NRKXBLADVYANDN-SCZZXKLOSA-N -2 0 369.351 0.153 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc3c(c2)C(=O)OC3)C1 ZINC000776718031 668290332 /nfs/dbraw/zinc/29/03/32/668290332.db2.gz MJZFLQUQUSCKDK-OAHLLOKOSA-N -2 0 369.351 0.297 20 0 FCADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000772201329 668293044 /nfs/dbraw/zinc/29/30/44/668293044.db2.gz MYYPFVANFZGOHU-MIMYLULJSA-N -2 0 355.334 0.913 20 0 FCADRL CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000793971096 668973435 /nfs/dbraw/zinc/97/34/35/668973435.db2.gz GCYUXNLGSAOJAU-NWDGAFQWSA-N -2 0 364.420 0.015 20 0 FCADRL NC(=O)c1c[nH]nc1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000795353763 669028542 /nfs/dbraw/zinc/02/85/42/669028542.db2.gz PTEPYNYTRJDGDY-UHFFFAOYSA-N -2 0 362.726 0.800 20 0 FCADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)CC(F)(F)F)c1 ZINC000820133175 669060230 /nfs/dbraw/zinc/06/02/30/669060230.db2.gz JUOFGHOJURFBTF-OAQYLSRUSA-N -2 0 359.347 0.811 20 0 FCADRL O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)[N-]OC[C@@H]1CCOC1 ZINC000811392844 669750304 /nfs/dbraw/zinc/75/03/04/669750304.db2.gz SKFSKSKCNGABJZ-SECBINFHSA-N -2 0 350.343 0.327 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000815896195 669927765 /nfs/dbraw/zinc/92/77/65/669927765.db2.gz WSQYFUIMCUXTFC-VIFPVBQESA-N -2 0 353.322 0.590 20 0 FCADRL COc1cc(C(=O)NC2(C(=O)[O-])CCC2)cc([N-]S(C)(=O)=O)c1OC ZINC000833726501 669937238 /nfs/dbraw/zinc/93/72/38/669937238.db2.gz DJAYESVTLZKUMS-UHFFFAOYSA-N -2 0 372.399 0.812 20 0 FCADRL Cc1ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c(Cl)n1 ZINC000844790319 670943496 /nfs/dbraw/zinc/94/34/96/670943496.db2.gz SANZIAQSFRLVGW-GFCCVEGCSA-N -2 0 350.780 0.887 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)c1ccco1 ZINC000849232945 671324106 /nfs/dbraw/zinc/32/41/06/671324106.db2.gz UPMLLVCNZZNONR-CBAPKCEASA-N -2 0 370.305 0.564 20 0 FCADRL Cc1nccnc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852958048 671533760 /nfs/dbraw/zinc/53/37/60/671533760.db2.gz BVNWUFIIRLFWKO-PSASIEDQSA-N -2 0 360.292 0.521 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1csnn1 ZINC000852959268 671534176 /nfs/dbraw/zinc/53/41/76/671534176.db2.gz ZJHAIWGVAUVQCH-CAHLUQPWSA-N -2 0 352.294 0.274 20 0 FCADRL COCC1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000853062756 671536098 /nfs/dbraw/zinc/53/60/98/671536098.db2.gz UEKMHHUGGUVRGY-UHFFFAOYSA-N -2 0 357.384 0.887 20 0 FCADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCC1 ZINC000863952374 672163982 /nfs/dbraw/zinc/16/39/82/672163982.db2.gz ULRMZHYOPJIRCW-UHFFFAOYSA-N -2 0 370.383 0.713 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C2(CC(=O)[O-])CCC2)cc1C(N)=O ZINC000863955066 672165264 /nfs/dbraw/zinc/16/52/64/672165264.db2.gz YUXZYEVLMSUPLH-UHFFFAOYSA-N -2 0 354.384 0.544 20 0 FCADRL Cc1ccnc(-n2cc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)cn2)c1 ZINC000863955867 672165680 /nfs/dbraw/zinc/16/56/80/672165680.db2.gz BQAJQPGBNRYJLI-CYBMUJFWSA-N -2 0 366.399 0.737 20 0 FCADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)ccc1OC ZINC000863961037 672168369 /nfs/dbraw/zinc/16/83/69/672168369.db2.gz FDKZPPPOJDLGPA-UHFFFAOYSA-N -2 0 372.399 0.490 20 0 FCADRL NC(=O)c1ccccc1CS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000863962537 672169251 /nfs/dbraw/zinc/16/92/51/672169251.db2.gz NYVOJXWFOMXRBO-ZDUSSCGKSA-N -2 0 368.411 0.623 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)c(C(F)(F)F)n1 ZINC000863964304 672170395 /nfs/dbraw/zinc/17/03/95/672170395.db2.gz QYOISJAQQXQXJY-SSDOTTSWSA-N -2 0 371.337 0.991 20 0 FCADRL O=C(Cn1cc(C[N-]C(=O)C(F)(F)F)nn1)[N-]OCc1ccccc1 ZINC000881052823 673214272 /nfs/dbraw/zinc/21/42/72/673214272.db2.gz LVWRFJGPBZQTIV-UHFFFAOYSA-N -2 0 357.292 0.705 20 0 FCADRL Cc1n[nH]c(C(=O)N[N-]C(=O)c2nn(-c3ccccc3)cc2[O-])c1[N+](=O)[O-] ZINC000064354378 1167851768 /nfs/dbraw/zinc/85/17/68/1167851768.db2.gz HXUINQVNEUSOPK-UHFFFAOYSA-N -2 0 371.313 0.592 20 0 FCADRL Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)c1ccccc1[S-])C2 ZINC001271313172 1190407974 /nfs/dbraw/zinc/40/79/74/1190407974.db2.gz RSHINSFLZAGWSH-UHFFFAOYSA-N -2 0 370.398 0.052 20 0 FCADRL Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)c1ccc([S-])cc1)C2 ZINC001271318349 1190417626 /nfs/dbraw/zinc/41/76/26/1190417626.db2.gz SBFGIBIDVCWGNG-UHFFFAOYSA-N -2 0 370.398 0.052 20 0 FCADRL Cc1nccc(CNC(=O)N[N-]C(=O)c2nn(-c3ccccc3)cc2[O-])n1 ZINC000056474236 1196489449 /nfs/dbraw/zinc/48/94/49/1196489449.db2.gz UPBUBHLHDQVBQH-UHFFFAOYSA-N -2 0 367.369 0.821 20 0 FCADRL COc1cccc([C@]2(C)NC(=O)N([N-]C(=O)c3n[nH]c(C)c3[O-])C2=O)c1 ZINC000813547168 1202998235 /nfs/dbraw/zinc/99/82/35/1202998235.db2.gz NKQBELKPSRABSF-INIZCTEOSA-N -2 0 359.342 0.544 20 0 FCADRL CC(=O)Nc1ccc(OCCOC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001224403562 1225778581 /nfs/dbraw/zinc/77/85/81/1225778581.db2.gz XGNQBISBIWXOCQ-GXTWGEPZSA-N -2 0 369.326 0.103 20 0 FCADRL COc1ccc(CCCOC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1OC ZINC001225072949 1225802053 /nfs/dbraw/zinc/80/20/53/1225802053.db2.gz LIJPAAMKLOJZLW-XHDPSFHLSA-N -2 0 370.354 0.716 20 0 FCADRL COc1ccc(CCCOC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1OC ZINC001225072943 1225802068 /nfs/dbraw/zinc/80/20/68/1225802068.db2.gz LIJPAAMKLOJZLW-IAQYHMDHSA-N -2 0 370.354 0.716 20 0 FCADRL COC(=O)c1cc(C(C)=O)ccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227170662 1225865256 /nfs/dbraw/zinc/86/52/56/1225865256.db2.gz ODXMNWPCRBYGFL-ZWNOBZJWSA-N -2 0 368.294 0.118 20 0 FCADRL COC(=O)c1cc(C(C)=O)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227170659 1225865352 /nfs/dbraw/zinc/86/53/52/1225865352.db2.gz ODXMNWPCRBYGFL-GWCFXTLKSA-N -2 0 368.294 0.118 20 0 FCADRL COC(=O)c1cc2[nH]ccc2c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001227322683 1225870474 /nfs/dbraw/zinc/87/04/74/1225870474.db2.gz MCPFLFWJZPJDGG-NOZJJQNGSA-N -2 0 365.294 0.396 20 0 FCADRL CC(C)COC(=O)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228398438 1225917719 /nfs/dbraw/zinc/91/77/19/1225917719.db2.gz OPWJUWUVSAHJFY-BXUZGUMPSA-N -2 0 368.338 0.941 20 0 FCADRL COc1cc2oc(=O)ccc2cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001229475757 1226013327 /nfs/dbraw/zinc/01/33/27/1226013327.db2.gz MEUXNLFWZBUWPP-XLKFXECMSA-N -2 0 366.278 0.243 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)ncc1-c1ccccc1)[C@H](O)C(=O)[O-] ZINC001230974969 1226093053 /nfs/dbraw/zinc/09/30/53/1226093053.db2.gz OGNIAEYNNHGROM-CABZTGNLSA-N -2 0 362.294 0.291 20 0 FCADRL Cn1[n-]c(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(=O)n(C)[n-]3)CC2)cc1=O ZINC001328651431 1265592195 /nfs/dbraw/zinc/59/21/95/1265592195.db2.gz BUJTVPMFGYGTSX-MGCOHNPYSA-N -2 0 362.390 0.036 20 0 FCADRL CCOC(=O)c1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n(C(C)C)n1 ZINC001234120407 1259557066 /nfs/dbraw/zinc/55/70/66/1259557066.db2.gz SRVGTVXNBMABCG-UFBFGSQYSA-N -2 0 372.330 0.083 20 0 FCADRL CCOC(=O)c1ccc(OC)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234758310 1259564623 /nfs/dbraw/zinc/56/46/23/1259564623.db2.gz GYOYRJCUIYZRIT-GWCFXTLKSA-N -2 0 370.310 0.314 20 0 FCADRL O=S(=O)([O-])CNS(=O)(=O)c1cc(Br)c(F)cc1F ZINC001260332432 1260062592 /nfs/dbraw/zinc/06/25/92/1260062592.db2.gz XIROCSBWXQSKGH-UHFFFAOYSA-N -2 0 366.161 0.851 20 0 FCADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1occc1CN1C(=O)Cc2ccccc21 ZINC001298667659 1262936962 /nfs/dbraw/zinc/93/69/62/1262936962.db2.gz GTSDFMRBVDVSIG-UHFFFAOYSA-N -2 0 355.310 0.756 20 0 FCADRL CCC(=O)N1CCCN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CC1 ZINC001576420072 1273247078 /nfs/dbraw/zinc/24/70/78/1273247078.db2.gz GYCBVFDLLQYZBR-UHFFFAOYSA-N -2 0 371.405 0.059 20 0 FCADRL CCOC(=O)CN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CCC1 ZINC001578245103 1275548288 /nfs/dbraw/zinc/54/82/88/1275548288.db2.gz CKWJRZUSMRPPGT-UHFFFAOYSA-N -2 0 372.389 0.533 20 0 FCADRL CCOC(=O)CN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)CC(C)C ZINC001578245370 1275548320 /nfs/dbraw/zinc/54/83/20/1275548320.db2.gz OMBJEBAIMVPTQZ-UHFFFAOYSA-N -2 0 374.405 0.636 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnnn1-c1cccc(F)c1 ZINC001603187567 1287325327 /nfs/dbraw/zinc/32/53/27/1287325327.db2.gz IRWAYDHIYBAUDJ-DTWKUNHWSA-N -2 0 370.362 0.575 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc(F)cc2nccnc21 ZINC001603186808 1287324449 /nfs/dbraw/zinc/32/44/49/1287324449.db2.gz BRJIMOOMWIKHJY-HTQZYQBOSA-N -2 0 355.347 0.938 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC001603186852 1287325371 /nfs/dbraw/zinc/32/53/71/1287325371.db2.gz CNLMJVCIPZXZQW-NXEZZACHSA-N -2 0 368.411 0.748 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC001603187958 1287324910 /nfs/dbraw/zinc/32/49/10/1287324910.db2.gz LEPZZYZLDVEYBB-IUCAKERBSA-N -2 0 374.419 0.062 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001603202261 1287328849 /nfs/dbraw/zinc/32/88/49/1287328849.db2.gz WOKKQCHMMHDXRA-YPMHNXCESA-N -2 0 368.411 0.458 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc(N2CCCC2=O)ccc1F ZINC001603205551 1287331151 /nfs/dbraw/zinc/33/11/51/1287331151.db2.gz XCQLUNVFVBUKFM-MRVPVSSYSA-N -2 0 358.347 0.485 20 0 FCADRL CC(C)(C)N1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)CC1=O ZINC001603343327 1287358750 /nfs/dbraw/zinc/35/87/50/1287358750.db2.gz JMSAPUZYJPLJAZ-MRVPVSSYSA-N -2 0 374.440 0.898 20 0 FCADRL CC(C)(CS(=O)(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)[O-] ZINC001603659528 1287459165 /nfs/dbraw/zinc/45/91/65/1287459165.db2.gz DQCCPXZDCFMZRM-UHFFFAOYSA-N -2 0 358.372 0.354 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1ccnn1CC(F)(F)F)C(=O)[O-] ZINC001603660831 1287460595 /nfs/dbraw/zinc/46/05/95/1287460595.db2.gz RUBYULGYKHAQCF-UHFFFAOYSA-N -2 0 357.310 0.616 20 0 FCADRL CC(C)[C@H](CNC(=O)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC001603724844 1287480952 /nfs/dbraw/zinc/48/09/52/1287480952.db2.gz VITSPWIDAPUJIW-ZDUSSCGKSA-N -2 0 350.371 0.816 20 0 FCADRL CC(C)CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC001603761278 1287490406 /nfs/dbraw/zinc/49/04/06/1287490406.db2.gz QUUVZNLWTRPBNM-SMDDNHRTSA-N -2 0 370.427 0.809 20 0 FCADRL CC(C)C[C@H](CNC(=O)C(=O)NCc1ccc(C(=O)[O-])s1)C(=O)[O-] ZINC001603770310 1287491191 /nfs/dbraw/zinc/49/11/91/1287491191.db2.gz SYJPOGIBANIVEQ-SECBINFHSA-N -2 0 356.400 0.926 20 0 FCADRL CC(C)CN1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1=O ZINC001603815243 1287506755 /nfs/dbraw/zinc/50/67/55/1287506755.db2.gz VCMGTIOUJRTCNV-LBPRGKRZSA-N -2 0 368.411 0.694 20 0 FCADRL O=C1c2ccccc2CN1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)s1 ZINC001582790729 1282008094 /nfs/dbraw/zinc/00/80/94/1282008094.db2.gz MLUYGCSXYUFGED-UHFFFAOYSA-N -2 0 362.396 0.778 20 0 FCADRL CC(=O)c1ccc(O)c(CCOC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)c1 ZINC001588915843 1282728280 /nfs/dbraw/zinc/72/82/80/1282728280.db2.gz SFRBOSJUEAYFOV-VIFPVBQESA-N -2 0 371.357 0.713 20 0 FCADRL C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001604255454 1287594167 /nfs/dbraw/zinc/59/41/67/1287594167.db2.gz GGVKWFWESWXPTG-KZZRWZIVSA-N -2 0 354.403 0.560 20 0 FCADRL C[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)c1ccc(OCC(=O)[O-])cc1 ZINC001604269583 1287596260 /nfs/dbraw/zinc/59/62/60/1287596260.db2.gz IWGZSCNCAZDPBH-JTQLQIEISA-N -2 0 364.358 0.810 20 0 FCADRL C[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)c1ccc(OCC(=O)[O-])cc1 ZINC001604269585 1287596382 /nfs/dbraw/zinc/59/63/82/1287596382.db2.gz IWGZSCNCAZDPBH-SNVBAGLBSA-N -2 0 364.358 0.810 20 0 FCADRL C[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1ncc(C(=O)[O-])s1 ZINC001604350610 1287611323 /nfs/dbraw/zinc/61/13/23/1287611323.db2.gz IYXZBVUODQJAKG-SSDOTTSWSA-N -2 0 353.447 0.999 20 0 FCADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001590087844 1283209203 /nfs/dbraw/zinc/20/92/03/1283209203.db2.gz ZNUFPCQOHPMYQN-CQSZACIVSA-N -2 0 365.371 0.173 20 0 FCADRL CC[C@@H]1C(=O)N(CC)CCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001590500481 1283571369 /nfs/dbraw/zinc/57/13/69/1283571369.db2.gz RPBXXZYETIUTFX-GFCCVEGCSA-N -2 0 371.405 0.058 20 0 FCADRL COc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-] ZINC001591507570 1284691127 /nfs/dbraw/zinc/69/11/27/1284691127.db2.gz WHYLAHFRJUIIMR-JTQLQIEISA-N -2 0 367.387 0.503 20 0 FCADRL C[C@H]1CC[C@](CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)(CC(=O)[O-])C1 ZINC001604699687 1287738809 /nfs/dbraw/zinc/73/88/09/1287738809.db2.gz CARMJWHRPNVZEX-XHDPSFHLSA-N -2 0 362.448 0.899 20 0 FCADRL Cn1nccc1[C@@H]1CCCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001592606331 1285545787 /nfs/dbraw/zinc/54/57/87/1285545787.db2.gz IRYGNOJYNDBJGN-ZDUSSCGKSA-N -2 0 366.389 0.686 20 0 FCADRL O=C(C=Cc1cnccn1)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001592803643 1285726178 /nfs/dbraw/zinc/72/61/78/1285726178.db2.gz NXWCMVLAJPGSLU-UPHRSURJSA-N -2 0 365.313 0.162 20 0 FCADRL O=C(COc1ccccc1-c1nn[nH]n1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001592896386 1285800052 /nfs/dbraw/zinc/80/00/52/1285800052.db2.gz PZMNPWRXGPBSHK-JTQLQIEISA-N -2 0 370.373 0.475 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H]2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)o3)[C@H]2C1 ZINC001593274611 1286058362 /nfs/dbraw/zinc/05/83/62/1286058362.db2.gz PAADVEOANRNCGU-AEJSXWLSSA-N -2 0 367.387 0.724 20 0 FCADRL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C1CCC1 ZINC001593276059 1286059116 /nfs/dbraw/zinc/05/91/16/1286059116.db2.gz JOQOLYOIBKSHEL-SNVBAGLBSA-N -2 0 373.341 0.677 20 0 FCADRL Cc1c([C@@H](NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C(=O)[O-])cnn1C ZINC001600008571 1286423317 /nfs/dbraw/zinc/42/33/17/1286423317.db2.gz BZUVQFCZBJPPRL-CYBMUJFWSA-N -2 0 367.383 0.672 20 0 FCADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CCO)C(=O)[O-] ZINC001600015012 1286424020 /nfs/dbraw/zinc/42/40/20/1286424020.db2.gz MDSURBMJGASEEP-VIFPVBQESA-N -2 0 351.764 0.461 20 0 FCADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC001600014036 1286424626 /nfs/dbraw/zinc/42/46/26/1286424626.db2.gz NTUJESGATJOLKU-SNVBAGLBSA-N -2 0 363.775 0.821 20 0 FCADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-] ZINC001600022563 1286425473 /nfs/dbraw/zinc/42/54/73/1286425473.db2.gz YFARSVZVEAZNMA-AWEZNQCLSA-N -2 0 363.363 0.584 20 0 FCADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001600022239 1286425767 /nfs/dbraw/zinc/42/57/67/1286425767.db2.gz UAIFWCLIQGEUQQ-NSHDSACASA-N -2 0 371.346 0.530 20 0 FCADRL Cc1c(NC(=O)C(=O)N[C@H](C)C(=O)[O-])ccc(Br)c1C(=O)[O-] ZINC001600029938 1286431894 /nfs/dbraw/zinc/43/18/94/1286431894.db2.gz VRUKBALLPLIGCH-ZCFIWIBFSA-N -2 0 373.159 0.984 20 0 FCADRL Cc1cc(C(=O)NC2(C(=O)[O-])CCSCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001600089845 1286439778 /nfs/dbraw/zinc/43/97/78/1286439778.db2.gz GVTFOUITBSVZLC-UHFFFAOYSA-N -2 0 364.383 0.825 20 0 FCADRL Cc1nn(C)c([N-]S(=O)(=O)c2cc(C)cc(C(N)=O)c2)c1C(=O)[O-] ZINC001600145468 1286446813 /nfs/dbraw/zinc/44/68/13/1286446813.db2.gz ZPJMNLINSHWAOF-UHFFFAOYSA-N -2 0 352.372 0.635 20 0 FCADRL Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-] ZINC001600180776 1286451174 /nfs/dbraw/zinc/45/11/74/1286451174.db2.gz SKOJPLWGRBCCKA-GXSJLCMTSA-N -2 0 368.415 0.823 20 0 FCADRL Cc1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)ccc1OCC(=O)[O-] ZINC001600294904 1286470774 /nfs/dbraw/zinc/47/07/74/1286470774.db2.gz BAOMANZGBXPHOI-UHFFFAOYSA-N -2 0 357.384 0.944 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CSCCS2)oc1C(=O)[O-] ZINC001600297154 1286471639 /nfs/dbraw/zinc/47/16/39/1286471639.db2.gz KKVGJJLXUGHELR-SSDOTTSWSA-N -2 0 351.427 0.940 20 0 FCADRL Cc1ccc(-n2[n-]c(C(=O)NC[C@@H](C(=O)[O-])[C@H]3CCOC3)cc2=O)cc1 ZINC001600321444 1286477288 /nfs/dbraw/zinc/47/72/88/1286477288.db2.gz JSLHZTKTNIGEPF-GXTWGEPZSA-N -2 0 359.382 0.941 20 0 FCADRL Cc1ccc(CNC(=O)CS(=O)(=O)c2ncc(C(=O)[O-])[n-]2)cc1F ZINC001600415075 1286484125 /nfs/dbraw/zinc/48/41/25/1286484125.db2.gz NZDXQNXKTJZKAX-UHFFFAOYSA-N -2 0 355.347 0.646 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC(C)(C)OC[C@@H]2C(=O)[O-])c(C(=O)[O-])c1 ZINC001600475253 1286492592 /nfs/dbraw/zinc/49/25/92/1286492592.db2.gz SHHYTGPOMKYKPS-LLVKDONJSA-N -2 0 357.384 0.946 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600475661 1286492723 /nfs/dbraw/zinc/49/27/23/1286492723.db2.gz BRRHMBXJUDTFTB-PWSUYJOCSA-N -3 0 371.367 0.489 20 0 FCADRL Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c(C(=O)[O-])c1 ZINC001600478566 1286493817 /nfs/dbraw/zinc/49/38/17/1286493817.db2.gz AYHXJCLFFOLESF-LLVKDONJSA-N -2 0 353.356 0.391 20 0 FCADRL Cc1cccc(S(=O)(=O)N2CC(C)(C)OC[C@@H]2C(=O)[O-])c1C(=O)[O-] ZINC001600547128 1286505507 /nfs/dbraw/zinc/50/55/07/1286505507.db2.gz JMTBACRNWARERK-SNVBAGLBSA-N -2 0 357.384 0.946 20 0 FCADRL Cc1ccncc1/C=C\C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001600604298 1286513308 /nfs/dbraw/zinc/51/33/08/1286513308.db2.gz CERGRQSTMSTEAU-IHWYPQMZSA-N -2 0 353.400 0.561 20 0 FCADRL Cc1cnn(C[C@@H](NS(=O)(=O)c2cccc(CC(=O)[O-])c2)C(=O)[O-])c1 ZINC001600636865 1286518276 /nfs/dbraw/zinc/51/82/76/1286518276.db2.gz QUKVJQFXNBLYME-CYBMUJFWSA-N -2 0 367.383 0.250 20 0 FCADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001600653352 1286520425 /nfs/dbraw/zinc/52/04/25/1286520425.db2.gz XOURLXWDTVQSPM-QMMMGPOBSA-N -2 0 359.385 0.592 20 0 FCADRL Cc1[nH]nc(C(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])c1[O-] ZINC001600665855 1286521226 /nfs/dbraw/zinc/52/12/26/1286521226.db2.gz SIUSLXWSHJTPMK-JTQLQIEISA-N -2 0 368.390 0.960 20 0 FCADRL Cc1nc(CCNS(=O)(=O)CC2(CC(=O)[O-])CC2)sc1C(=O)[O-] ZINC001600698837 1286528524 /nfs/dbraw/zinc/52/85/24/1286528524.db2.gz JUIDMHJNXLTJNC-UHFFFAOYSA-N -2 0 362.429 0.867 20 0 FCADRL Cc1ncc(S(=O)(=O)[N-]c2cnn(CC(=O)N(C)C)c2)cc1C(=O)[O-] ZINC001600747287 1286536050 /nfs/dbraw/zinc/53/60/50/1286536050.db2.gz KFJJVPNZIIGCQA-UHFFFAOYSA-N -2 0 367.387 0.174 20 0 FCADRL Cc1nn(C)c(C)c1OCC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001600771259 1286540961 /nfs/dbraw/zinc/54/09/61/1286540961.db2.gz ZFSJLOJLWNVGSN-UHFFFAOYSA-N -2 0 357.344 0.212 20 0 FCADRL Cc1nn(C)c(C)c1CC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001600770853 1286541044 /nfs/dbraw/zinc/54/10/44/1286541044.db2.gz UDOOVKRAUMTOBE-UHFFFAOYSA-N -2 0 358.401 0.239 20 0 FCADRL Cc1nnnn1-c1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c(F)c1 ZINC001600800326 1286547552 /nfs/dbraw/zinc/54/75/52/1286547552.db2.gz HCSMFLYJRWTBGW-UHFFFAOYSA-N -2 0 371.350 0.034 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@]12CCC(=O)N1CCS2 ZINC001600834650 1286553098 /nfs/dbraw/zinc/55/30/98/1286553098.db2.gz ZSXBSAOGICKPRR-CYBMUJFWSA-N -2 0 374.396 0.157 20 0 FCADRL Cn1c(C(=O)[O-])ccc1C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1 ZINC001600903013 1286566387 /nfs/dbraw/zinc/56/63/87/1286566387.db2.gz CVBGEBCROLUEPT-UHFFFAOYSA-N -2 0 357.369 0.002 20 0 FCADRL Cn1nccc1COCC(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001601038149 1286614888 /nfs/dbraw/zinc/61/48/88/1286614888.db2.gz VNRORKWSQNRYNF-UHFFFAOYSA-N -2 0 368.371 0.108 20 0 FCADRL NC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001601145395 1286652913 /nfs/dbraw/zinc/65/29/13/1286652913.db2.gz PNUSGSQJJDXGGJ-VXGBXAGGSA-N -2 0 368.411 0.623 20 0 FCADRL NC(=O)CCc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC001601150614 1286657430 /nfs/dbraw/zinc/65/74/30/1286657430.db2.gz IVNICDYSRHXITQ-UHFFFAOYSA-N -2 0 352.372 0.186 20 0 FCADRL NC(=O)CS(=O)(=O)[N-]C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001601152513 1286660310 /nfs/dbraw/zinc/66/03/10/1286660310.db2.gz SHOVMGPRJFRKNZ-UHFFFAOYSA-N -2 0 362.363 0.597 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCSC[C@H]2CC(=O)[O-])c1 ZINC001601199845 1286694140 /nfs/dbraw/zinc/69/41/40/1286694140.db2.gz KMZOUIWWWBFRQU-MRVPVSSYSA-N -2 0 360.413 0.072 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCSC[C@@H]2CC(=O)[O-])c1 ZINC001601199846 1286694366 /nfs/dbraw/zinc/69/43/66/1286694366.db2.gz KMZOUIWWWBFRQU-QMMMGPOBSA-N -2 0 360.413 0.072 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001601200131 1286696014 /nfs/dbraw/zinc/69/60/14/1286696014.db2.gz WESGULRZSMYRCT-GFCCVEGCSA-N -2 0 362.363 0.868 20 0 FCADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C(=O)/C=C\c2ccncn2)c1F ZINC001601242861 1286706780 /nfs/dbraw/zinc/70/67/80/1286706780.db2.gz GNTJHBWIYQUIHX-RJRFIUFISA-N -2 0 369.305 0.971 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]C(=O)CNC(=O)CCC2CCCC2)c1 ZINC001601263847 1286709014 /nfs/dbraw/zinc/70/90/14/1286709014.db2.gz QMUXMQKAVPODIR-UHFFFAOYSA-N -2 0 372.399 0.869 20 0 FCADRL O=C([O-])c1ccc2c(c1)CC[C@H](NC(=O)CCCc1nnn[n-]1)C(=O)N2 ZINC001601271810 1286709906 /nfs/dbraw/zinc/70/99/06/1286709906.db2.gz HLTJZQQDORJKLG-LBPRGKRZSA-N -2 0 358.358 0.290 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)CCOC[C@H]2CCCO2)cc1 ZINC001601281223 1286712388 /nfs/dbraw/zinc/71/23/88/1286712388.db2.gz GZHAYWYZTNNHFH-CQSZACIVSA-N -2 0 371.411 0.917 20 0 FCADRL O=C([O-])[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccc(C(F)(F)F)cc1 ZINC001601396057 1286740330 /nfs/dbraw/zinc/74/03/30/1286740330.db2.gz NBHSGYGZDITNHI-ZETCQYMHSA-N -2 0 358.232 0.857 20 0 FCADRL O=C([O-])[C@H](CO)NC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC001601419843 1286742895 /nfs/dbraw/zinc/74/28/95/1286742895.db2.gz NQDLJZKDRMOLTN-QMMMGPOBSA-N -2 0 356.278 0.123 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(F)(F)F ZINC001601896351 1286864401 /nfs/dbraw/zinc/86/44/01/1286864401.db2.gz GFPDBTQVLZYNCI-ZCFIWIBFSA-N -2 0 356.278 0.711 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccsc1 ZINC001601909053 1286866828 /nfs/dbraw/zinc/86/68/28/1286866828.db2.gz XJGHBYFDXSLHAJ-LLVKDONJSA-N -2 0 362.429 0.895 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)NC[C@H](Cc2ccccn2)C(=O)[O-])CC1 ZINC001601922537 1286872560 /nfs/dbraw/zinc/87/25/60/1286872560.db2.gz VHEWMNIJSLTMDH-NSHDSACASA-N -2 0 356.400 0.499 20 0 FCADRL O=C([O-])C[C@H]1CN(C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)CCO1 ZINC001601961986 1286885968 /nfs/dbraw/zinc/88/59/68/1286885968.db2.gz CRMQUIGDUBQOCZ-VIFPVBQESA-N -2 0 364.276 0.774 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cncc(OCC(F)F)c1 ZINC001601999050 1286893370 /nfs/dbraw/zinc/89/33/70/1286893370.db2.gz GZTKZMHLVRWEHP-UHFFFAOYSA-N -2 0 352.315 0.650 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cnnn1-c1cccc(F)c1 ZINC001601999280 1286893945 /nfs/dbraw/zinc/89/39/45/1286893945.db2.gz PSJAFUOFNQDKDJ-UHFFFAOYSA-N -2 0 356.335 0.331 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cn(CCc2ccccc2)nn1 ZINC001601999215 1286893987 /nfs/dbraw/zinc/89/39/87/1286893987.db2.gz KZVSMGHPIPLFPU-UHFFFAOYSA-N -2 0 366.399 0.445 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC001602028602 1286908466 /nfs/dbraw/zinc/90/84/66/1286908466.db2.gz WOENWNMJOVYVOP-LLVKDONJSA-N -2 0 374.440 0.202 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)c1ccc(OC2CCOCC2)cc1 ZINC001602028739 1286908579 /nfs/dbraw/zinc/90/85/79/1286908579.db2.gz YPHMBOXTSGOTTO-UHFFFAOYSA-N -2 0 357.384 0.779 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)CCCNC(=O)NC1CCCCC1 ZINC001602028012 1286908603 /nfs/dbraw/zinc/90/86/03/1286908603.db2.gz MLFSGOHEDZPOMA-UHFFFAOYSA-N -2 0 363.436 0.319 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001602027674 1286908622 /nfs/dbraw/zinc/90/86/22/1286908622.db2.gz JKUVGLXOSMMZRE-SNVBAGLBSA-N -2 0 372.374 0.489 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC001602027912 1286909010 /nfs/dbraw/zinc/90/90/10/1286909010.db2.gz KVLDKYJZFGGDHA-JTQLQIEISA-N -2 0 358.372 0.195 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)Cc1sccc1Br ZINC001602027909 1286909270 /nfs/dbraw/zinc/90/92/70/1286909270.db2.gz KSGAJXFZWAYAFI-UHFFFAOYSA-N -2 0 356.219 0.974 20 0 FCADRL O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)CSc1n[n-]c(=S)s1 ZINC001602065004 1286920282 /nfs/dbraw/zinc/92/02/82/1286920282.db2.gz FHLJBTCXTPNQQG-LURJTMIESA-N -2 0 362.458 0.111 20 0 FCADRL O=C([O-])CNC(=O)CNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC001602069653 1286925718 /nfs/dbraw/zinc/92/57/18/1286925718.db2.gz VCSOQOYGMURNQP-UHFFFAOYSA-N -2 0 365.567 0.739 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)c1c(C(F)(F)F)nc2n1CCCC2 ZINC001602097041 1286934037 /nfs/dbraw/zinc/93/40/37/1286934037.db2.gz FVSIDGSGWBAMOF-UHFFFAOYSA-N -2 0 355.294 0.382 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)CCCOc1ccc2c(c1)NC(=O)CC2 ZINC001602096858 1286934220 /nfs/dbraw/zinc/93/42/20/1286934220.db2.gz IJNWLKRFUUXTOP-UHFFFAOYSA-N -2 0 370.383 0.261 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1 ZINC001602131700 1286944506 /nfs/dbraw/zinc/94/45/06/1286944506.db2.gz IGILUDAUNCRLJX-LBPRGKRZSA-N -2 0 353.356 0.011 20 0 FCADRL O=C([O-])Cc1cccc(S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1 ZINC001602142269 1286946692 /nfs/dbraw/zinc/94/66/92/1286946692.db2.gz UPUVRAPCWSXIPI-SECBINFHSA-N -2 0 355.290 0.998 20 0 FCADRL O=C([O-])Cc1csc(CCNS(=O)(=O)c2cc(C(=O)[O-])co2)n1 ZINC001602148912 1286948486 /nfs/dbraw/zinc/94/84/86/1286948486.db2.gz APSJDKPTDKIXHE-UHFFFAOYSA-N -2 0 360.369 0.582 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)N2[C@@H]3CCCC[C@@H]3CC[C@H]2C(=O)[O-])cn1 ZINC001602163834 1286953699 /nfs/dbraw/zinc/95/36/99/1286953699.db2.gz SBZPFQVEPHXRER-RTXFEEFZSA-N -2 0 371.415 0.764 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2nnc(CC3CCCC3)o2)cn1 ZINC001602164915 1286955346 /nfs/dbraw/zinc/95/53/46/1286955346.db2.gz PXEDNAFAWXSBEV-UHFFFAOYSA-N -2 0 355.376 0.884 20 0 FCADRL O=C([O-])[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001602201202 1286967596 /nfs/dbraw/zinc/96/75/96/1286967596.db2.gz NSFGRAKGJLCQIU-GMSGAONNSA-N -2 0 350.780 0.973 20 0 FCADRL O=C([O-])c1cc(F)cc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC001602274381 1286979964 /nfs/dbraw/zinc/97/99/64/1286979964.db2.gz MVZGPVSKFIFSJN-LLVKDONJSA-N -2 0 357.319 0.221 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@]3(CCOC3)C2)ccc1F ZINC001602288807 1286981005 /nfs/dbraw/zinc/98/10/05/1286981005.db2.gz JYHXPMBMGLAXGV-ABAIWWIYSA-N -2 0 373.358 0.636 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](c2ccncc2)C2(CO)CCC2)on1 ZINC001602292802 1286983874 /nfs/dbraw/zinc/98/38/74/1286983874.db2.gz HRIFOGSVKYOFRS-CYBMUJFWSA-N -2 0 367.383 0.950 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CC[C@H]2COc3ccccc3O2)on1 ZINC001602295289 1286986453 /nfs/dbraw/zinc/98/64/53/1286986453.db2.gz FBKQMAZDCFNQAN-VIFPVBQESA-N -2 0 354.340 0.881 20 0 FCADRL O=C([O-])c1cc2c(c(S(=O)(=O)N3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)c1)CCC2 ZINC001602302096 1286987832 /nfs/dbraw/zinc/98/78/32/1286987832.db2.gz UCNUIALFDSPTKB-IMRBUKKESA-N -2 0 351.380 0.825 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)c2cnc3nccnc3c2)cc1 ZINC001602355331 1286990548 /nfs/dbraw/zinc/99/05/48/1286990548.db2.gz XGAXVOABAGZKDK-UHFFFAOYSA-N -2 0 372.362 0.983 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CC3(CCOCC3)[C@H]2C(=O)[O-])c(F)c1 ZINC001602392849 1286993298 /nfs/dbraw/zinc/99/32/98/1286993298.db2.gz HMHWXTHKWHFPJJ-GFCCVEGCSA-N -2 0 373.358 0.778 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cn1 ZINC001602396425 1286996754 /nfs/dbraw/zinc/99/67/54/1286996754.db2.gz SUWCLMZRMUPNFG-CQSZACIVSA-N -2 0 362.363 0.980 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)s1 ZINC001602401391 1286997117 /nfs/dbraw/zinc/99/71/17/1286997117.db2.gz LPSHSTZLUZIQAJ-UHFFFAOYSA-N -2 0 373.412 0.894 20 0 FCADRL O=C([O-])c1ccccc1CS(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001602470094 1287005394 /nfs/dbraw/zinc/00/53/94/1287005394.db2.gz XFSJCIFPIREYHM-LBPRGKRZSA-N -2 0 353.356 0.223 20 0 FCADRL O=C([O-])c1csc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccccc2)c1 ZINC001602563055 1287025418 /nfs/dbraw/zinc/02/54/18/1287025418.db2.gz MTPQXMDSBDOGJS-NWDGAFQWSA-N -2 0 371.392 0.911 20 0 FCADRL O=C([O-])c1csc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC001602563866 1287027176 /nfs/dbraw/zinc/02/71/76/1287027176.db2.gz KDPTVYIYAKXGAF-ZETCQYMHSA-N -2 0 358.401 0.838 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC001602597670 1287033164 /nfs/dbraw/zinc/03/31/64/1287033164.db2.gz VYPIUXIMTLLTGA-SDBXPKJASA-N -2 0 361.397 0.558 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)CC2)cc1 ZINC001602637607 1287043551 /nfs/dbraw/zinc/04/35/51/1287043551.db2.gz AZANAHUGDVHZIO-NSHDSACASA-N -2 0 354.384 0.247 20 0 FCADRL C[C@@H](C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1)n1cnc(-c2nnn[n-]2)n1 ZINC001603024906 1287187974 /nfs/dbraw/zinc/18/79/74/1287187974.db2.gz FWRRODYYXGKESR-QMMMGPOBSA-N -2 0 366.345 0.754 20 0 FCADRL COC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[nH]n1 ZINC001605047915 1287855660 /nfs/dbraw/zinc/85/56/60/1287855660.db2.gz GXCZWOGZOCVQGP-GHMZBOCLSA-N -2 0 367.431 0.731 20 0 FCADRL COCCOc1ncccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001605121671 1287889028 /nfs/dbraw/zinc/88/90/28/1287889028.db2.gz WIWHFZSSLMTIPZ-UHFFFAOYSA-N -2 0 366.359 0.681 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)C1=O ZINC001605135489 1287892614 /nfs/dbraw/zinc/89/26/14/1287892614.db2.gz OERHSHPBURCDKK-CQSZACIVSA-N -2 0 355.372 0.607 20 0 FCADRL CS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001605361229 1287939974 /nfs/dbraw/zinc/93/99/74/1287939974.db2.gz KJJOYMJNGDKMKS-UHFFFAOYSA-N -2 0 369.384 0.664 20 0 FCADRL CCOc1cnc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC001605714788 1288059041 /nfs/dbraw/zinc/05/90/41/1288059041.db2.gz RICJYRPZMUCVKR-UHFFFAOYSA-N -2 0 351.340 0.692 20 0 FCADRL CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001605756902 1288074496 /nfs/dbraw/zinc/07/44/96/1288074496.db2.gz POVODGMLYZJPGG-CPCISQLKSA-N -2 0 362.429 0.802 20 0 FCADRL Cc1ccc([C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C(=O)[O-])cc1 ZINC001605828116 1288096407 /nfs/dbraw/zinc/09/64/07/1288096407.db2.gz KDJOLYBIRQDQIH-GFCCVEGCSA-N -2 0 363.355 0.872 20 0 FCADRL CCc1nc(-c2ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc2)n[nH]1 ZINC001605844399 1288097224 /nfs/dbraw/zinc/09/72/24/1288097224.db2.gz FEUODBYYIKZBEI-QMMMGPOBSA-N -2 0 352.372 0.567 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1 ZINC001606042616 1288145119 /nfs/dbraw/zinc/14/51/19/1288145119.db2.gz QSKHJKNOAPWJEO-PJXYFTJBSA-N -2 0 354.384 0.045 20 0 FCADRL CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(O)ccc2C(=O)[O-])cn1C ZINC001606284060 1288254409 /nfs/dbraw/zinc/25/44/09/1288254409.db2.gz XKMWNZQQSFHWBB-UHFFFAOYSA-N -2 0 353.356 0.589 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-])c1ccnn1C ZINC001606343020 1288264360 /nfs/dbraw/zinc/26/43/60/1288264360.db2.gz QWYBBUCDKVEGAC-LBPRGKRZSA-N -2 0 371.346 0.450 20 0 FCADRL COC(=O)[C@@H]1CCN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)[C@@H](C(=O)[O-])C1 ZINC001606404672 1288290318 /nfs/dbraw/zinc/29/03/18/1288290318.db2.gz UMOUVFZHFUHMCH-DGCLKSJQSA-N -2 0 367.402 0.240 20 0 FCADRL COC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)C(=O)[O-] ZINC001606477360 1288338178 /nfs/dbraw/zinc/33/81/78/1288338178.db2.gz UJMXZAZUFYHCCT-SECBINFHSA-N -2 0 365.747 0.333 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@@H](C)CCC(=O)[O-])c1 ZINC001606531539 1288366541 /nfs/dbraw/zinc/36/65/41/1288366541.db2.gz NXQXMGRFXAAGTM-VIFPVBQESA-N -2 0 373.383 0.951 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001606583505 1288395812 /nfs/dbraw/zinc/39/58/12/1288395812.db2.gz PIDDYZMTYAYRPV-SECBINFHSA-N -2 0 357.340 0.267 20 0 FCADRL COC(=O)c1coc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001606630786 1288415795 /nfs/dbraw/zinc/41/57/95/1288415795.db2.gz KKYXBCQOPNLLRQ-UHFFFAOYSA-N -2 0 353.308 0.883 20 0 FCADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])C(C)C ZINC001606636175 1288419180 /nfs/dbraw/zinc/41/91/80/1288419180.db2.gz BKCKEMCGAVWTQY-UHFFFAOYSA-N -2 0 365.385 0.717 20 0 FCADRL CO[C@@H]1CN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])[C@](C)(C(=O)[O-])C1 ZINC001606770699 1288503981 /nfs/dbraw/zinc/50/39/81/1288503981.db2.gz LTESTTKPAZACGF-RTHLEPHNSA-N -2 0 361.347 0.777 20 0 FCADRL COCC[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(=O)[O-] ZINC001606863247 1288542207 /nfs/dbraw/zinc/54/22/07/1288542207.db2.gz WXNVNDNUQDINQG-QMMMGPOBSA-N -2 0 369.754 0.945 20 0 FCADRL COCCOc1cc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)ccn1 ZINC001606907997 1288559203 /nfs/dbraw/zinc/55/92/03/1288559203.db2.gz KNCUKOBYOLSIKA-UHFFFAOYSA-N -2 0 370.339 0.517 20 0 FCADRL O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001606961137 1288576811 /nfs/dbraw/zinc/57/68/11/1288576811.db2.gz XDQKEVDFWFONHC-LAEOZQHASA-N -2 0 353.360 0.334 20 0 FCADRL COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001607122664 1288669957 /nfs/dbraw/zinc/66/99/57/1288669957.db2.gz SMZZVVNIRLXHED-LLVKDONJSA-N -2 0 352.343 0.947 20 0 FCADRL COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)c1cc(=O)[nH][n-]1)CC2 ZINC001607193722 1288683069 /nfs/dbraw/zinc/68/30/69/1288683069.db2.gz UQVZCVKXFZVVRF-LBPRGKRZSA-N -2 0 361.354 0.480 20 0 FCADRL COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC001607207170 1288684748 /nfs/dbraw/zinc/68/47/48/1288684748.db2.gz KLWVSOSSRWPCLK-GXSJLCMTSA-N -2 0 364.354 0.901 20 0 FCADRL COc1ccc2c(c1)C[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])CO2 ZINC001607293609 1288695749 /nfs/dbraw/zinc/69/57/49/1288695749.db2.gz MTDNSGAOTPHYJR-SCVCMEIPSA-N -2 0 371.411 0.802 20 0 FCADRL COc1cccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1F ZINC001607304879 1288698449 /nfs/dbraw/zinc/69/84/49/1288698449.db2.gz FPBHCIQOEBKJAD-UHFFFAOYSA-N -2 0 360.363 0.606 20 0 FCADRL CS(=O)(=O)c1ccnc([N-]S(=O)(=O)c2scnc2C(=O)[O-])c1 ZINC001607383096 1288703950 /nfs/dbraw/zinc/70/39/50/1288703950.db2.gz IHVYDDOKDXRBDX-UHFFFAOYSA-N -2 0 363.398 0.441 20 0 FCADRL C[C@H](O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)C(=O)[O-] ZINC001607461547 1288713841 /nfs/dbraw/zinc/71/38/41/1288713841.db2.gz GGQJBLVPMFAJBC-AJAUBTJJSA-N -2 0 372.182 0.804 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])cnn1-c1ccccn1 ZINC001607509135 1288721321 /nfs/dbraw/zinc/72/13/21/1288721321.db2.gz RUTXTHKSZMVJSC-KOLCDFICSA-N -2 0 366.399 0.745 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])cnn1-c1ccccn1 ZINC001607509136 1288721327 /nfs/dbraw/zinc/72/13/27/1288721327.db2.gz RUTXTHKSZMVJSC-MWLCHTKSSA-N -2 0 366.399 0.745 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])nnn1-c1ccccc1 ZINC001607509114 1288721481 /nfs/dbraw/zinc/72/14/81/1288721481.db2.gz PPZIMOXLSYHXEN-UHFFFAOYSA-N -2 0 366.399 0.746 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1 ZINC001607518166 1288723163 /nfs/dbraw/zinc/72/31/63/1288723163.db2.gz DNZHTMGPRVGMKL-OAHLLOKOSA-N -3 0 371.367 0.633 20 0 FCADRL Cc1ccc(C)n1-c1c(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cnn1C ZINC001607766358 1288737813 /nfs/dbraw/zinc/73/78/13/1288737813.db2.gz UYNSUVVUUOEFCB-UHFFFAOYSA-N -2 0 354.388 0.362 20 0 FCADRL Cc1nc(SC(F)F)sc1CC(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001607967292 1288752930 /nfs/dbraw/zinc/75/29/30/1288752930.db2.gz WEAKDGDHJZEZKE-UHFFFAOYSA-N -2 0 360.385 0.839 20 0 FCADRL Cc1oc(CNC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001608051362 1288762370 /nfs/dbraw/zinc/76/23/70/1288762370.db2.gz SXFNLHMHRFITIN-WPRPVWTQSA-N -2 0 352.343 0.472 20 0 FCADRL Cn1cc([C@H](NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C(=O)[O-])cn1 ZINC001608107526 1288770219 /nfs/dbraw/zinc/77/02/19/1288770219.db2.gz YHKJFCWJWKPAHA-LBPRGKRZSA-N -2 0 353.356 0.364 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2nc(C3CC3)c(C(=O)[O-])s2)cc1C(N)=O ZINC001608122260 1288774612 /nfs/dbraw/zinc/77/46/12/1288774612.db2.gz IWOZRWULBGIXOU-UHFFFAOYSA-N -2 0 370.412 0.957 20 0 FCADRL Cn1ncc2c1C[C@@H](C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-])CC2 ZINC001608160423 1288784791 /nfs/dbraw/zinc/78/47/91/1288784791.db2.gz JYOUTAYAQQQDKI-ZETCQYMHSA-N -2 0 370.412 0.185 20 0 FCADRL Cn1nnc2c1nccc2C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001608166912 1288786169 /nfs/dbraw/zinc/78/61/69/1288786169.db2.gz CFGKXYNNFJVRQC-UHFFFAOYSA-N -2 0 361.339 0.180 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)CN2CCSC2=O)cc1 ZINC001608336567 1288822860 /nfs/dbraw/zinc/82/28/60/1288822860.db2.gz VIHIYSUUKJUVTH-UHFFFAOYSA-N -2 0 358.397 0.500 20 0 FCADRL O=C([O-])C1(C2(O)CCN(C(=O)CSc3n[nH]c(=O)[n-]3)CC2)CCC1 ZINC001608356573 1288829393 /nfs/dbraw/zinc/82/93/93/1288829393.db2.gz OASIJWPNUSICOK-UHFFFAOYSA-N -2 0 356.404 0.211 20 0 FCADRL O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC001608373336 1288832133 /nfs/dbraw/zinc/83/21/33/1288832133.db2.gz XEUVMYSTEIOXGR-LBPRGKRZSA-N -2 0 373.394 0.220 20 0 FCADRL O=C([O-])CCN(CC(=O)[O-])C(=O)c1cc(I)c[nH]1 ZINC001608720806 1288869180 /nfs/dbraw/zinc/86/91/80/1288869180.db2.gz GDRMXIPFASKFFB-UHFFFAOYSA-N -2 0 366.111 0.621 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)C[C@@]12CCOC2 ZINC001608645265 1288861320 /nfs/dbraw/zinc/86/13/20/1288861320.db2.gz NGWIYJVDNGVQHY-IAQYHMDHSA-N -2 0 361.416 0.384 20 0 FCADRL O=C([O-])CCCO[N-]C(=O)CSCc1cc(=O)n2ccsc2n1 ZINC001608716293 1288868426 /nfs/dbraw/zinc/86/84/26/1288868426.db2.gz FYICGTVRJPQTCW-UHFFFAOYSA-N -2 0 357.413 0.902 20 0 FCADRL O=C([O-])CCN(CC(=O)[O-])C(=O)c1ccccc1CN1CCOCC1 ZINC001608720889 1288869517 /nfs/dbraw/zinc/86/95/17/1288869517.db2.gz KTHFHRLUCZKRCR-UHFFFAOYSA-N -2 0 350.371 0.520 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@]2(CO)C[C@@H]2c2ccccc2)on1 ZINC001608861046 1288877603 /nfs/dbraw/zinc/87/76/03/1288877603.db2.gz MZQNZZFOYTXJHE-ABAIWWIYSA-N -2 0 352.368 0.817 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCN(c3ncccc3Cl)C2)on1 ZINC001608860489 1288877636 /nfs/dbraw/zinc/87/76/36/1288877636.db2.gz NSJUWYSFSNQSMD-MRVPVSSYSA-N -2 0 372.790 0.978 20 0 FCADRL O=C([O-])[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)c1cccs1 ZINC001609571273 1289233177 /nfs/dbraw/zinc/23/31/77/1289233177.db2.gz ACKXPHAEOHNLKP-VIFPVBQESA-N -2 0 355.357 0.625 20 0 FCADRL CC(=O)CCc1ccc(OCC(=O)[N-]S(=O)(=O)CCC(=O)[O-])cc1 ZINC001609573160 1289235910 /nfs/dbraw/zinc/23/59/10/1289235910.db2.gz LCSNVIBEPFLOHG-UHFFFAOYSA-N -2 0 357.384 0.508 20 0 FCADRL CC(=O)c1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cs1 ZINC001609628400 1289267067 /nfs/dbraw/zinc/26/70/67/1289267067.db2.gz UIQFIEBNTVIQGN-UHFFFAOYSA-N -2 0 360.413 0.722 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCCNC(=O)c1ccccc1 ZINC001609638186 1289269806 /nfs/dbraw/zinc/26/98/06/1289269806.db2.gz BQSYZDDMNAMANM-RYUDHWBXSA-N -2 0 370.427 0.752 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)c1 ZINC001609639289 1289270585 /nfs/dbraw/zinc/27/05/85/1289270585.db2.gz UXDCAUQVQDXXQI-NWDGAFQWSA-N -2 0 365.411 0.970 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(C)(C)C ZINC001609638823 1289270593 /nfs/dbraw/zinc/27/05/93/1289270593.db2.gz MFUMEQPSZZYXPA-DCAQKATOSA-N -2 0 362.448 0.579 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC001609639023 1289270736 /nfs/dbraw/zinc/27/07/36/1289270736.db2.gz PPMMLXRMIRGGMT-DCAQKATOSA-N -2 0 372.399 0.183 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2ccnn2)cc1 ZINC001609638929 1289270745 /nfs/dbraw/zinc/27/07/45/1289270745.db2.gz OHZHFNBBYIVDTK-ZJUUUORDSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(C)(C)C ZINC001609638825 1289270901 /nfs/dbraw/zinc/27/09/01/1289270901.db2.gz MFUMEQPSZZYXPA-HBNTYKKESA-N -2 0 362.448 0.579 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC001609639562 1289271367 /nfs/dbraw/zinc/27/13/67/1289271367.db2.gz ZKVOGXZFIQRQLE-SBMIAAHKSA-N -2 0 355.368 0.323 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC001609639563 1289271490 /nfs/dbraw/zinc/27/14/90/1289271490.db2.gz ZKVOGXZFIQRQLE-YGOYTEALSA-N -2 0 355.368 0.323 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cnn2c1nccc2-c1ccccc1 ZINC001609643262 1289271592 /nfs/dbraw/zinc/27/15/92/1289271592.db2.gz KVGDUSGBGSDCCG-JTQLQIEISA-N -2 0 374.378 0.929 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)N(C)C)cc1 ZINC001609639514 1289271739 /nfs/dbraw/zinc/27/17/39/1289271739.db2.gz YTMYEUJRDDNWFS-VHSXEESVSA-N -2 0 356.400 0.557 20 0 FCADRL CC(C)(C)OC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC001609665619 1289277127 /nfs/dbraw/zinc/27/71/27/1289277127.db2.gz PNISUHBZUFLSFE-UHFFFAOYSA-N -2 0 366.436 0.848 20 0 FCADRL CC(C)(C)n1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)nn1 ZINC001609672479 1289277826 /nfs/dbraw/zinc/27/78/26/1289277826.db2.gz RKWDXGPKEBOUJE-UHFFFAOYSA-N -2 0 366.399 0.991 20 0 FCADRL CC(C)C[C@@H](CNC(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)C(=O)[O-] ZINC001609692038 1289280799 /nfs/dbraw/zinc/28/07/99/1289280799.db2.gz ALZHTGMRPNOIGR-NWDGAFQWSA-N -2 0 354.403 0.563 20 0 FCADRL C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)C1 ZINC001609811989 1289302128 /nfs/dbraw/zinc/30/21/28/1289302128.db2.gz WJWILFCCVIMLIS-YVEFUNNKSA-N -2 0 362.338 0.188 20 0 FCADRL CC1(C)C(=O)Nc2cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])ccc21 ZINC001609814106 1289303076 /nfs/dbraw/zinc/30/30/76/1289303076.db2.gz NTFVHCFIOBDVTG-UHFFFAOYSA-N -2 0 354.384 0.841 20 0 FCADRL CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C)C(=O)[O-] ZINC001609957691 1289334018 /nfs/dbraw/zinc/33/40/18/1289334018.db2.gz FENPXRVBSFXKNX-ZYHUDNBSSA-N -2 0 363.363 0.725 20 0 FCADRL CCOC(=O)CC[C@H](NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])C(=O)[O-] ZINC001610016715 1289346726 /nfs/dbraw/zinc/34/67/26/1289346726.db2.gz VDSGUKCKVSEYMA-OUAUKWLOSA-N -2 0 365.404 0.346 20 0 FCADRL CCO[C@H]1C[C@@](NS(=O)(=O)CC2(CC(=O)[O-])CC2)(C(=O)[O-])C1(C)C ZINC001610032579 1289352093 /nfs/dbraw/zinc/35/20/93/1289352093.db2.gz UBVAZALYQYGAMX-ZUZCIYMTSA-N -2 0 363.432 0.819 20 0 FCADRL CCc1nn(C)c(CC)c1CC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC001610072416 1289362774 /nfs/dbraw/zinc/36/27/74/1289362774.db2.gz DDRKOZHZUBXVKW-NXEZZACHSA-N -2 0 359.448 0.643 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)c1 ZINC001610103208 1289374062 /nfs/dbraw/zinc/37/40/62/1289374062.db2.gz IYAVZBIGNWZYES-OAHLLOKOSA-N -2 0 372.399 0.006 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)NCC[C@H](CC(=O)[O-])C(F)(F)F ZINC001610114125 1289377572 /nfs/dbraw/zinc/37/75/72/1289377572.db2.gz CGRJLNXSBRDCNI-SSDOTTSWSA-N -2 0 350.315 0.271 20 0 FCADRL CNC(=O)Oc1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC001610141293 1289394387 /nfs/dbraw/zinc/39/43/87/1289394387.db2.gz ZFIYSVSDFTZPJN-UHFFFAOYSA-N -2 0 354.344 0.487 20 0 FCADRL COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)CCc1ccccc1C(=O)[O-] ZINC001610150044 1289400172 /nfs/dbraw/zinc/40/01/72/1289400172.db2.gz WQSLOMKEXGCTMT-UHFFFAOYSA-N -2 0 371.411 0.963 20 0 FCADRL COC(=O)c1c[nH]c(C(=O)[O-])c1[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC001610195416 1289420954 /nfs/dbraw/zinc/42/09/54/1289420954.db2.gz FISLHIHIMFUMBT-UHFFFAOYSA-N -2 0 356.360 0.651 20 0 FCADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N(C)CCCC(=O)[O-] ZINC001610221308 1289429780 /nfs/dbraw/zinc/42/97/80/1289429780.db2.gz AGHKUBMVFMCUCD-UHFFFAOYSA-N -2 0 365.385 0.718 20 0 FCADRL COC(=O)c1cnccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001610218509 1289430113 /nfs/dbraw/zinc/43/01/13/1289430113.db2.gz HPCBFRNHEFZFKB-UHFFFAOYSA-N -2 0 354.315 0.928 20 0 FCADRL CO[C@H]1CCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)[C@H](C(=O)[O-])C1 ZINC001610236075 1289433507 /nfs/dbraw/zinc/43/35/07/1289433507.db2.gz BYWWLTITXAVYKQ-GUBZILKMSA-N -2 0 354.325 0.780 20 0 FCADRL COCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CCOCC1 ZINC001610247865 1289437520 /nfs/dbraw/zinc/43/75/20/1289437520.db2.gz KAKUKJVOPUIHKQ-UHFFFAOYSA-N -2 0 371.411 0.774 20 0 FCADRL COc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])nc1Br ZINC001610312650 1289459078 /nfs/dbraw/zinc/45/90/78/1289459078.db2.gz DTNIOBHTPZBUBW-RXMQYKEDSA-N -2 0 367.177 0.385 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)/C=C\[C@H]2CCCO2)c(CC(=O)[O-])c1 ZINC001610346229 1289466550 /nfs/dbraw/zinc/46/65/50/1289466550.db2.gz ONKBDVQSKMNNBM-SMYYYNMVSA-N -2 0 369.395 0.862 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CO[C@@H](C)C2)c(CC(=O)[O-])c1 ZINC001610346518 1289466710 /nfs/dbraw/zinc/46/67/10/1289466710.db2.gz VTWLZQBCAHXFRG-GXSJLCMTSA-N -2 0 357.384 0.552 20 0 FCADRL COc1ccccc1N(CC(=O)[O-])S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001610366618 1289470214 /nfs/dbraw/zinc/47/02/14/1289470214.db2.gz PQAHDMLVQHWHDI-UHFFFAOYSA-N -2 0 372.399 0.628 20 0 FCADRL Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)[N-]OCCCC(=O)[O-] ZINC001610413364 1289481836 /nfs/dbraw/zinc/48/18/36/1289481836.db2.gz NDPJIVXLHQIMIH-UHFFFAOYSA-N -2 0 372.399 0.391 20 0 FCADRL Cc1cc(C)n(C[C@H](NS(=O)(=O)c2ccsc2C(=O)[O-])C(=O)[O-])n1 ZINC001610455454 1289489647 /nfs/dbraw/zinc/48/96/47/1289489647.db2.gz LKTDFHCHATULRB-VIFPVBQESA-N -2 0 373.412 0.691 20 0 FCADRL Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)[N-]OCCCC(=O)[O-] ZINC001610468064 1289490337 /nfs/dbraw/zinc/49/03/37/1289490337.db2.gz PUZYDYDIKPULEP-UHFFFAOYSA-N -2 0 365.386 0.683 20 0 FCADRL Cc1ccc(NC(=C(F)C(=O)[O-])c2c([O-])[nH]c(=S)[nH]c2=O)cc1F ZINC001610504073 1289496542 /nfs/dbraw/zinc/49/65/42/1289496542.db2.gz GJSLKDREEXLYIZ-VIFPVBQESA-N -2 0 355.322 0.754 20 0 FCADRL Cc1cnn(C[C@H](NS(=O)(=O)c2ccc(C)cc2C(=O)[O-])C(=O)[O-])c1 ZINC001610513366 1289498469 /nfs/dbraw/zinc/49/84/69/1289498469.db2.gz VIKJIQHPBGISJB-LBPRGKRZSA-N -2 0 367.383 0.630 20 0 FCADRL Cc1cccc([C@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C(=O)[O-])c1C ZINC001610519798 1289499414 /nfs/dbraw/zinc/49/94/14/1289499414.db2.gz MYWPWLSXSJRDQW-AWEZNQCLSA-N -2 0 367.383 0.689 20 0 FCADRL Cc1ccccc1-n1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])nn1 ZINC001610528880 1289501613 /nfs/dbraw/zinc/50/16/13/1289501613.db2.gz YEUCVPFHLKPQEQ-UHFFFAOYSA-N -2 0 366.399 0.746 20 0 FCADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001610545886 1289505918 /nfs/dbraw/zinc/50/59/18/1289505918.db2.gz NPPCFMOIWBBZBU-UHFFFAOYSA-N -2 0 363.413 0.914 20 0 FCADRL Cn1cc(C[C@@H](NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C(=O)[O-])cn1 ZINC001610603525 1289524140 /nfs/dbraw/zinc/52/41/40/1289524140.db2.gz KTAFGGCONBXDRJ-CYBMUJFWSA-N -2 0 367.383 0.234 20 0 FCADRL Cn1cc2c(n1)CCC[C@@H]2C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001610607267 1289526165 /nfs/dbraw/zinc/52/61/65/1289526165.db2.gz RBFBLNIKJCYBFD-ZETCQYMHSA-N -2 0 370.412 0.500 20 0 FCADRL Cn1[n-]c(C(F)(F)F)nc1=NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001610613363 1289529074 /nfs/dbraw/zinc/52/90/74/1289529074.db2.gz NXMZWVUVKWEDDB-UHFFFAOYSA-N -2 0 356.307 0.816 20 0 FCADRL NC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC001610636494 1289536076 /nfs/dbraw/zinc/53/60/76/1289536076.db2.gz WRKBFOFLTWOFLP-ZJUUUORDSA-N -2 0 354.384 0.481 20 0 FCADRL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C23CCC(C(=O)[O-])(CC2)C3)s1 ZINC001610640687 1289538736 /nfs/dbraw/zinc/53/87/36/1289538736.db2.gz HMKUCWCFTIFQIA-UHFFFAOYSA-N -2 0 372.424 0.687 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)C2=Cc3ccccc3OC2)CC1 ZINC001610701962 1289560096 /nfs/dbraw/zinc/56/00/96/1289560096.db2.gz PNHXFWWMDBYXQP-UHFFFAOYSA-N -2 0 366.395 0.620 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)CC[C@@H]1C(=O)[O-] ZINC001610744738 1289574971 /nfs/dbraw/zinc/57/49/71/1289574971.db2.gz LBFQYKMLOFDBQW-UWVGGRQHSA-N -3 0 363.388 0.069 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001610753736 1289578504 /nfs/dbraw/zinc/57/85/04/1289578504.db2.gz WFOJCABBHXWYFI-GPCCPHFNSA-N -3 0 363.388 0.211 20 0 FCADRL O=C([O-])/C=C/c1ccc(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)cc1 ZINC001610752184 1289578714 /nfs/dbraw/zinc/57/87/14/1289578714.db2.gz PLHZURYHJPCVIB-ZZXKWVIFSA-N -2 0 368.411 0.565 20 0 FCADRL O=C([O-])C[C@@H]1CCCN1C(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001610761695 1289581917 /nfs/dbraw/zinc/58/19/17/1289581917.db2.gz TWSGJXUNLDSLDP-ZNMIVQPWSA-N -2 0 374.393 0.779 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)c1ncccc1OCC(F)(F)F ZINC001610774992 1289587160 /nfs/dbraw/zinc/58/71/60/1289587160.db2.gz ASHLEAMTSODSRY-UHFFFAOYSA-N -2 0 356.278 0.557 20 0 FCADRL O=C([O-])CCOc1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])cc1 ZINC001610775889 1289587905 /nfs/dbraw/zinc/58/79/05/1289587905.db2.gz DDCIRANPAIBGFW-NSHDSACASA-N -2 0 361.397 0.688 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)cc1 ZINC001610793585 1289594698 /nfs/dbraw/zinc/59/46/98/1289594698.db2.gz JYAGVFQBXFACQO-UHFFFAOYSA-N -2 0 357.384 0.473 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC001610789402 1289595009 /nfs/dbraw/zinc/59/50/09/1289595009.db2.gz NRMRQNVBFXPXFJ-UHFFFAOYSA-N -2 0 368.411 0.637 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)cn1 ZINC001610800406 1289597686 /nfs/dbraw/zinc/59/76/86/1289597686.db2.gz RWHXQWDRLOJOPM-LBPRGKRZSA-N -2 0 367.339 0.009 20 0 FCADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC001610810843 1289599658 /nfs/dbraw/zinc/59/96/58/1289599658.db2.gz PGPCNLDSTVXREZ-LLVKDONJSA-N -2 0 373.774 0.736 20 0 FCADRL O=C([O-])c1ccc(F)c(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)[O-])c1 ZINC001610831825 1289602154 /nfs/dbraw/zinc/60/21/54/1289602154.db2.gz BIUDAMMCYZUNNM-LDYMZIIASA-N -2 0 361.347 0.682 20 0 FCADRL O=C([O-])c1ccccc1CS(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC001610854193 1289605974 /nfs/dbraw/zinc/60/59/74/1289605974.db2.gz RINBYCXLKPQZJV-MFKMUULPSA-N -2 0 357.384 0.372 20 0 FCADRL O=C([O-])c1ccccc1CS(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC001610854191 1289606790 /nfs/dbraw/zinc/60/67/90/1289606790.db2.gz RINBYCXLKPQZJV-GWCFXTLKSA-N -2 0 357.384 0.372 20 0 FCADRL O=C([O-])c1ccccc1CS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC001610853812 1289606904 /nfs/dbraw/zinc/60/69/04/1289606904.db2.gz FLWKCCAEEFAYDO-NEPJUHHUSA-N -3 0 371.367 0.322 20 0 FCADRL O=C([O-])c1cncc(C(=O)[N-]S(=O)(=O)N2CCc3sccc3C2)c1 ZINC001610862285 1289611181 /nfs/dbraw/zinc/61/11/81/1289611181.db2.gz TUYARFFERFXZMC-UHFFFAOYSA-N -2 0 367.408 0.874 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1ccnn1C[C@@H]1CCOC1 ZINC001610871718 1289614795 /nfs/dbraw/zinc/61/47/95/1289614795.db2.gz ROMJJBZNGFPDRX-QMMMGPOBSA-N -2 0 358.401 0.875 20 0 FCADRL O=C(NCc1nc(=O)o[n-]1)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC001116447891 846682286 /nfs/dbraw/zinc/68/22/86/846682286.db2.gz ATRJTYYRKQXBNF-UHFFFAOYSA-N -2 0 366.277 0.554 20 0 FCADRL NC(=O)C[C@@H](CC(=O)NCCOP(=O)([O-])[O-])c1ccc(Cl)cc1 ZINC001143795519 849500444 /nfs/dbraw/zinc/50/04/44/849500444.db2.gz MVFKFRZGYMUNEV-JTQLQIEISA-N -2 0 364.722 0.915 20 0 FCADRL CCN(CC)S(=O)(=O)c1ccc(NCCOP(=O)([O-])[O-])nc1 ZINC001157796051 849996016 /nfs/dbraw/zinc/99/60/16/849996016.db2.gz TVPWPIXTHZYCAO-UHFFFAOYSA-N -2 0 353.337 0.633 20 0 FCADRL CCOC(=O)c1ccnc(NCCOP(=O)([O-])[O-])c1C(=O)OCC ZINC001157795571 849996087 /nfs/dbraw/zinc/99/60/87/849996087.db2.gz PYUSNAHOCXFINW-UHFFFAOYSA-N -2 0 362.275 0.956 20 0 FCADRL O=P([O-])([O-])OCCNc1ccc(S(=O)(=O)NC2CCCC2)cn1 ZINC001168590198 850590211 /nfs/dbraw/zinc/59/02/11/850590211.db2.gz VLHDPTAVSPATTG-UHFFFAOYSA-N -2 0 365.348 0.824 20 0 FCADRL CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCCOP(=O)([O-])[O-] ZINC001168590454 850590347 /nfs/dbraw/zinc/59/03/47/850590347.db2.gz ZQNCJGPQRGKDKE-UHFFFAOYSA-N -2 0 373.755 0.758 20 0 FCADRL COCCOCCOCCOCCNc1ccc(P(=O)([O-])[O-])cc1 ZINC001170479766 850655483 /nfs/dbraw/zinc/65/54/83/850655483.db2.gz TXNKTJKBPUUUDO-UHFFFAOYSA-N -2 0 363.347 0.598 20 0 FCADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(Nc2cnn(CCO)c2)c1 ZINC001176474051 850790335 /nfs/dbraw/zinc/79/03/35/850790335.db2.gz QPHDNAXJOUPNDO-UHFFFAOYSA-N -2 0 363.373 0.112 20 0 FCADRL CC(C)(C)OC(=O)N1CCCO[C@H](C(=O)NCCOP(=O)([O-])[O-])C1 ZINC001178710786 850919640 /nfs/dbraw/zinc/91/96/40/850919640.db2.gz OGUQXILOBNOMBF-JTQLQIEISA-N -2 0 368.323 0.238 20 0 FCADRL CC(C)(C)OC(=O)N1CC2CC1(C(=O)NCCOP(=O)([O-])[O-])C2 ZINC001179354247 850970025 /nfs/dbraw/zinc/97/00/25/850970025.db2.gz ONJVSPICWNZIFA-UHFFFAOYSA-N -2 0 350.308 0.611 20 0 FCADRL CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOP(=O)([O-])[O-] ZINC001182138962 851159240 /nfs/dbraw/zinc/15/92/40/851159240.db2.gz VODVEYOLNAXYJI-LBPRGKRZSA-N -2 0 360.303 0.569 20 0 FCADRL CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)NCCOP(=O)([O-])[O-] ZINC001183639269 851258890 /nfs/dbraw/zinc/25/88/90/851258890.db2.gz XZYMUEOHVIQINC-CYBMUJFWSA-N -2 0 368.323 0.238 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]c2cc(N(C)CCO)ncn2)cc1C(=O)[O-] ZINC001184665193 851318238 /nfs/dbraw/zinc/31/82/38/851318238.db2.gz ZYRGOACUXUCBJM-UHFFFAOYSA-N -2 0 366.399 0.713 20 0 FCADRL COC(=O)c1nsnc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186144176 851414018 /nfs/dbraw/zinc/41/40/18/851414018.db2.gz PCUTUKCQHLCXNA-UHFFFAOYSA-N -2 0 361.332 0.963 20 0 FCADRL Cn1cnc2ncnc-2c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186144504 851415779 /nfs/dbraw/zinc/41/57/79/851415779.db2.gz XLUTZMOBKJKNRB-UHFFFAOYSA-N -2 0 351.319 0.953 20 0 FCADRL CS(=O)(=O)[N-]C(=O)Cc1ccc([N-]S(=O)(=O)c2ccco2)cc1 ZINC001186863378 851477901 /nfs/dbraw/zinc/47/79/01/851477901.db2.gz NDXXHGIDHZUNSK-UHFFFAOYSA-N -2 0 358.397 0.699 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)NCC[N-]C(=O)C(F)(F)F)ccc1Cl ZINC001188328190 851670156 /nfs/dbraw/zinc/67/01/56/851670156.db2.gz ZMZCGIDRIKLDOI-UHFFFAOYSA-N -2 0 374.724 0.995 20 0 FCADRL COC(=O)[C@@]1(C)COCCN1C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189887837 851836921 /nfs/dbraw/zinc/83/69/21/851836921.db2.gz SRWYVLJTCJTBMP-CQSZACIVSA-N -2 0 359.271 0.562 20 0 FCADRL CN(C(=O)c1ccccc1OP(=O)([O-])[O-])C1CCS(=O)(=O)CC1 ZINC001189886896 851837234 /nfs/dbraw/zinc/83/72/34/851837234.db2.gz JHESOHOLUOITMY-UHFFFAOYSA-N -2 0 363.328 0.807 20 0 FCADRL O=C([O-])c1cc(C(=O)Nc2cnc3nccn3c2)cc(S(=O)(=O)[O-])c1 ZINC001189915816 851841461 /nfs/dbraw/zinc/84/14/61/851841461.db2.gz XCTBFUWVDPTTEB-UHFFFAOYSA-N -2 0 362.323 0.927 20 0 FCADRL COCCOC1CN(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)C1 ZINC001189924105 851844342 /nfs/dbraw/zinc/84/43/42/851844342.db2.gz JZDUVACMDVGIKA-UHFFFAOYSA-N -2 0 359.356 0.119 20 0 FCADRL COC(=O)[C@@H]1CC[C@H](NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)C1 ZINC001189934390 851845100 /nfs/dbraw/zinc/84/51/00/851845100.db2.gz SZIVSQZKNPKKGP-KCJUWKMLSA-N -2 0 371.367 0.703 20 0 FCADRL COC(=O)[C@H]1CC[C@H](NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)C1 ZINC001189934392 851845185 /nfs/dbraw/zinc/84/51/85/851845185.db2.gz SZIVSQZKNPKKGP-KWQFWETISA-N -2 0 371.367 0.703 20 0 FCADRL O=C([O-])c1cc(C(=O)NCCc2nncs2)cc(S(=O)(=O)[O-])c1 ZINC001189942345 851847679 /nfs/dbraw/zinc/84/76/79/851847679.db2.gz YWWBKDCNNJVMNI-UHFFFAOYSA-N -2 0 357.369 0.456 20 0 FCADRL NC(=O)c1noc2c1CN(C(=O)c1ccccc1OP(=O)([O-])[O-])CC2 ZINC001278367171 862307465 /nfs/dbraw/zinc/30/74/65/862307465.db2.gz WFOQLCZKASNLQU-UHFFFAOYSA-N -2 0 367.254 0.444 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001191464628 852079943 /nfs/dbraw/zinc/07/99/43/852079943.db2.gz WZIQTTBKKCLTQX-UHFFFAOYSA-N -2 0 353.289 0.251 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(N)=O)cc1C(=O)[O-] ZINC001192608907 852264149 /nfs/dbraw/zinc/26/41/49/852264149.db2.gz YLKYEYILMDLVID-UHFFFAOYSA-N -2 0 368.371 0.417 20 0 FCADRL CNC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192684893 852275804 /nfs/dbraw/zinc/27/58/04/852275804.db2.gz FLPVZXPJOSPXKN-UHFFFAOYSA-N -2 0 366.355 0.100 20 0 FCADRL CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001193064142 852347539 /nfs/dbraw/zinc/34/75/39/852347539.db2.gz GBZQCIPGAKWQRD-UHFFFAOYSA-N -2 0 372.399 0.584 20 0 FCADRL O=S(=O)([O-])c1cc(O)c(OC[C@H]2C[C@H](O)C2)c(S(=O)(=O)[O-])c1 ZINC001218428711 855425377 /nfs/dbraw/zinc/42/53/77/855425377.db2.gz MNILFXHNHBWPJQ-LJGSYFOKSA-N -2 0 354.358 0.035 20 0 FCADRL COC(=O)[C@H](OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1ccc(Cl)cc1 ZINC001223577966 856927068 /nfs/dbraw/zinc/92/70/68/856927068.db2.gz XPCIDISVXZEUOU-ADEWGFFLSA-N -2 0 374.729 0.634 20 0 FCADRL COC(=O)c1ccc([C@H](C)OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001223753156 856940828 /nfs/dbraw/zinc/94/08/28/856940828.db2.gz FPEHSKMXFMMLIG-LJUAHTATSA-N -2 0 354.311 0.614 20 0 FCADRL O=C(NC1CC1)c1ccc(COC(=O)[C@H](O)COP(=O)([O-])[O-])cc1 ZINC001223824515 856945601 /nfs/dbraw/zinc/94/56/01/856945601.db2.gz POZHIQIFGUEMDO-GFCCVEGCSA-N -2 0 359.271 0.092 20 0 FCADRL COC(=O)c1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1C ZINC001224203197 856968869 /nfs/dbraw/zinc/96/88/69/856968869.db2.gz JCMCWMCGRNTTMJ-WCQYABFASA-N -2 0 354.311 0.361 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc(C(F)(F)F)nc(=S)[nH]1)[C@@H](O)C(=O)[O-] ZINC001225850460 857066731 /nfs/dbraw/zinc/06/67/31/857066731.db2.gz KHDWLNMXZBBPGI-CLTAVNFZSA-N -2 0 370.261 0.226 20 0 FCADRL Cc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(=O)n1CC1CC1 ZINC001225867347 857068185 /nfs/dbraw/zinc/06/81/85/857068185.db2.gz MRXHZBPIQNLBPE-SMDDNHRTSA-N -2 0 353.327 0.009 20 0 FCADRL CCC(=O)c1cc(F)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(F)c1 ZINC001225891201 857070739 /nfs/dbraw/zinc/07/07/39/857070739.db2.gz HOVFFOAJVLOMDY-MADCSZMMSA-N -2 0 360.265 0.999 20 0 FCADRL CCC(=O)c1cc(F)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(F)c1 ZINC001225892201 857071179 /nfs/dbraw/zinc/07/11/79/857071179.db2.gz OQMMNVHGXKIELY-SNVBAGLBSA-N -2 0 354.198 0.933 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1nc(Cl)nc2ccc(F)cc21)[C@@H](O)C(=O)[O-] ZINC001226372416 857099496 /nfs/dbraw/zinc/09/94/96/857099496.db2.gz NPAQUKSPGPOGNO-GMSGAONNSA-N -2 0 372.692 0.864 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1nc(Cl)nc2ccc(F)cc21)[C@H](O)C(=O)[O-] ZINC001226372619 857099672 /nfs/dbraw/zinc/09/96/72/857099672.db2.gz NPAQUKSPGPOGNO-XVKPBYJWSA-N -2 0 372.692 0.864 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1nc(Cl)nc2cc(F)ccc21)[C@@H](O)C(=O)[O-] ZINC001226375732 857100043 /nfs/dbraw/zinc/10/00/43/857100043.db2.gz WUSLSUBPYHSMOX-GMSGAONNSA-N -2 0 372.692 0.864 20 0 FCADRL COc1ccc2nc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])sc2c1 ZINC001226652861 857119073 /nfs/dbraw/zinc/11/90/73/857119073.db2.gz OSGCVRIXBIHRHZ-CPCISQLKSA-N -2 0 355.324 0.747 20 0 FCADRL Cc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc(C(F)(F)F)n1 ZINC001226679773 857121035 /nfs/dbraw/zinc/12/10/35/857121035.db2.gz RKVMLNJEJKIHHY-XNCJUZBTSA-N -2 0 352.221 0.246 20 0 FCADRL Cc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cnc1Br ZINC001226999195 857136750 /nfs/dbraw/zinc/13/67/50/857136750.db2.gz JIEKTXXUBAUDLK-IONNQARKSA-N -2 0 362.132 0.594 20 0 FCADRL CCOC(=O)c1sc(C)nc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227059417 857139343 /nfs/dbraw/zinc/13/93/43/857139343.db2.gz BMDDQURDXDRQNA-SVRRBLITSA-N -2 0 361.328 0.070 20 0 FCADRL Cc1sc2ncnc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2c1C ZINC001227083134 857140362 /nfs/dbraw/zinc/14/03/62/857140362.db2.gz TZGVNDLHGRXQMY-XCBNKYQSSA-N -2 0 354.340 0.750 20 0 FCADRL Cc1ccc2nc(=O)[n-]c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2c1 ZINC001227346388 857155541 /nfs/dbraw/zinc/15/55/41/857155541.db2.gz IVDKDMJIMYLGBQ-KCJUWKMLSA-N -3 0 350.283 0.086 20 0 FCADRL Cc1ccc2nc(=O)[n-]c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2c1 ZINC001227346393 857155918 /nfs/dbraw/zinc/15/59/18/857155918.db2.gz IVDKDMJIMYLGBQ-LDYMZIIASA-N -3 0 350.283 0.086 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ncc(Br)cc1F)[C@H](O)C(=O)[O-] ZINC001227402090 857158461 /nfs/dbraw/zinc/15/84/61/857158461.db2.gz OUKPLPUSBYJJRP-XNCJUZBTSA-N -2 0 366.095 0.425 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc(Br)c(F)cn1)[C@H](O)C(=O)[O-] ZINC001227580601 857165893 /nfs/dbraw/zinc/16/58/93/857165893.db2.gz FJIZUALDTKVFIL-IGJIYHIXSA-N -2 0 366.095 0.425 20 0 FCADRL COC(=O)c1cc(F)cc(F)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227752596 857174908 /nfs/dbraw/zinc/17/49/08/857174908.db2.gz OORXZNSWANCHNY-LDWIPMOCSA-N -2 0 362.237 0.193 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=S)nc2cnccc21)[C@H](O)C(=O)[O-] ZINC001227886343 857182581 /nfs/dbraw/zinc/18/25/81/857182581.db2.gz SWUAAHDZAAXULO-MUWHJKNJSA-N -2 0 353.312 0.129 20 0 FCADRL CCCOC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001228004679 857188895 /nfs/dbraw/zinc/18/88/95/857188895.db2.gz DTQGPXCJUWCLLV-AAEUAGOBSA-N -2 0 354.311 0.695 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc(Br)cnc1F)[C@H](O)C(=O)[O-] ZINC001228550940 857215418 /nfs/dbraw/zinc/21/54/18/857215418.db2.gz JDYJWTYLXWGEAZ-XNCJUZBTSA-N -2 0 366.095 0.425 20 0 FCADRL Cc1nc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2cccc(O)c2n1 ZINC001228833047 857231966 /nfs/dbraw/zinc/23/19/66/857231966.db2.gz SKHCZAWPHHINKE-PELKAZGASA-N -2 0 350.283 0.086 20 0 FCADRL COc1ncc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1Br ZINC001229203723 857259223 /nfs/dbraw/zinc/25/92/23/857259223.db2.gz DVBHRTMOGYFNFW-SSDOTTSWSA-N -2 0 372.064 0.228 20 0 FCADRL Cc1cccc2c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])[nH]c(=O)nc12 ZINC001229407845 857268254 /nfs/dbraw/zinc/26/82/54/857268254.db2.gz QGOHOEYYGXJOJJ-KWQFWETISA-N -2 0 350.283 0.086 20 0 FCADRL CC(=O)Nc1cc(Cl)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001229415394 857268950 /nfs/dbraw/zinc/26/89/50/857268950.db2.gz ISWLTTSKOCFNOA-UFBFGSQYSA-N -2 0 359.718 0.740 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1[nH]c(=S)nc2sccc21)[C@H](O)C(=O)[O-] ZINC001229570076 857275600 /nfs/dbraw/zinc/27/56/00/857275600.db2.gz OIJLMWMESWVHCO-FSPLSTOPSA-N -2 0 358.353 0.422 20 0 FCADRL CC(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c2ncccc12 ZINC001229679896 857281941 /nfs/dbraw/zinc/28/19/41/857281941.db2.gz ZKDJYFXAPONCOJ-LLVKDONJSA-N -2 0 355.239 0.813 20 0 FCADRL O=S(=O)([O-])c1cc(O)c(OC[C@H]2CCC=CO2)c(S(=O)(=O)[O-])c1 ZINC001230147141 857307366 /nfs/dbraw/zinc/30/73/66/857307366.db2.gz ROPZFHMDHWNTBU-MRVPVSSYSA-N -2 0 366.369 0.957 20 0 FCADRL CCOC[C@H](C)Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-] ZINC001230147520 857308100 /nfs/dbraw/zinc/30/81/00/857308100.db2.gz XMQZMGWQTOGZLK-ZETCQYMHSA-N -2 0 356.374 0.689 20 0 FCADRL COc1cc(C(C)=O)c(F)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001230274206 857321308 /nfs/dbraw/zinc/32/13/08/857321308.db2.gz QDLGPBYDCOKKDT-SECBINFHSA-N -2 0 352.207 0.413 20 0 FCADRL CCOC(=O)/C=C/c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1 ZINC001230415306 857333471 /nfs/dbraw/zinc/33/34/71/857333471.db2.gz YLPZBVWEOMXCLR-FZKGZDJFSA-N -2 0 360.255 0.639 20 0 FCADRL O=C(Oc1ccc(C(=O)C(F)(F)F)cc1)[C@H](O)COP(=O)([O-])[O-] ZINC001230700145 857346336 /nfs/dbraw/zinc/34/63/36/857346336.db2.gz APNYWYDEKLZYOH-MRVPVSSYSA-N -2 0 358.161 0.807 20 0 FCADRL COC(=O)c1ccc2occc2c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001231383781 857360454 /nfs/dbraw/zinc/36/04/54/857360454.db2.gz CZNBTBWIAHFIKK-SECBINFHSA-N -2 0 360.211 0.595 20 0 FCADRL COC(=O)c1c[nH]c2cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])ccc21 ZINC001233538763 857386168 /nfs/dbraw/zinc/38/61/68/857386168.db2.gz DYMICJSMTKUNFY-LLVKDONJSA-N -2 0 359.227 0.330 20 0 FCADRL CCOC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(Cl)c1 ZINC001233581786 857387048 /nfs/dbraw/zinc/38/70/48/857387048.db2.gz CKSHTUIMYPNDDH-UFBFGSQYSA-N -2 0 374.729 0.959 20 0 FCADRL COc1cc2ncnc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c2c(OC)c1 ZINC001233870666 857390932 /nfs/dbraw/zinc/39/09/32/857390932.db2.gz GVDWSFGDEWQTAF-SECBINFHSA-N -2 0 374.242 0.023 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ncnc2cc(F)c(F)cc21)[C@@H](O)C(=O)[O-] ZINC001234030440 857395189 /nfs/dbraw/zinc/39/51/89/857395189.db2.gz GBNHYHORXSCLHA-UPONEAKYSA-N -2 0 356.237 0.350 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc([C@H]2CCC(=O)N2)cc1)[C@H](O)C(=O)[O-] ZINC001234485743 857407145 /nfs/dbraw/zinc/40/71/45/857407145.db2.gz KDUVJMHUZQPFRQ-WDMOLILDSA-N -2 0 351.311 0.080 20 0 FCADRL COc1cc(OC)c(Cl)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001234885379 857414773 /nfs/dbraw/zinc/41/47/73/857414773.db2.gz NKCZFIFLPYBZFQ-KRTXAFLBSA-N -2 0 362.718 0.799 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2ccc(OC)cc2S(=O)(=O)[O-])cn1 ZINC001259838440 858294543 /nfs/dbraw/zinc/29/45/43/858294543.db2.gz LACJWMNBLAIJLS-UHFFFAOYSA-N -2 0 361.401 0.959 20 0 FCADRL CN(CCO)c1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ncn1 ZINC001260184107 858351722 /nfs/dbraw/zinc/35/17/22/858351722.db2.gz SSZJXXSHNZXBMD-UHFFFAOYSA-N -2 0 352.372 0.404 20 0 FCADRL CN(CCO)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)ncn1 ZINC001260209950 858354666 /nfs/dbraw/zinc/35/46/66/858354666.db2.gz YMSFUQJMBYQIBY-UHFFFAOYSA-N -2 0 370.362 0.543 20 0 FCADRL CCOC(=O)c1nonc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260393230 858365634 /nfs/dbraw/zinc/36/56/34/858365634.db2.gz PUDUQLYQXMSUBI-UHFFFAOYSA-N -2 0 357.300 0.451 20 0 FCADRL CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n(C)n1 ZINC001260393285 858365887 /nfs/dbraw/zinc/36/58/87/858365887.db2.gz FCWTZKZFFUFSGM-UHFFFAOYSA-N -2 0 369.355 0.801 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)NCC[N-]C(=O)C(F)(F)F)ccc1O ZINC001260402096 858369705 /nfs/dbraw/zinc/36/97/05/858369705.db2.gz RGWNIIGIPBQLSR-UHFFFAOYSA-N -2 0 356.278 0.047 20 0 FCADRL CC[C@H](C)S(=O)(=O)Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001260741018 858422177 /nfs/dbraw/zinc/42/21/77/858422177.db2.gz XBBWJMGHOAPWFP-ZETCQYMHSA-N -2 0 373.430 0.720 20 0 FCADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001324191935 869502109 /nfs/dbraw/zinc/50/21/09/869502109.db2.gz KWXZEUNPZBRJOS-UHFFFAOYSA-N -2 0 352.401 0.971 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]Cc2nc(=O)o[n-]2)sc1Br ZINC001329957715 872387153 /nfs/dbraw/zinc/38/71/53/872387153.db2.gz PIEMAVGFXCHLFI-UHFFFAOYSA-N -2 0 355.195 0.369 20 0 FCADRL O=C([O-])[C@H](CC(F)(F)F)NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000323357303 970995223 /nfs/dbraw/zinc/99/52/23/970995223.db2.gz VTRHVXZIJIRLGY-LURJTMIESA-N -2 0 358.250 0.984 20 0 FCADRL Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000324468351 971123840 /nfs/dbraw/zinc/12/38/40/971123840.db2.gz KAIQZIWVTABPID-UHFFFAOYSA-N -2 0 352.372 0.919 20 0 FCADRL COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000327399875 971395537 /nfs/dbraw/zinc/39/55/37/971395537.db2.gz URVRQUMUHPUXBP-UHFFFAOYSA-N -2 0 368.371 0.285 20 0 FCADRL C[C@@H]1[C@@H](C)N(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)[C@@H](C)C(=O)N1C ZINC001575870015 949481802 /nfs/dbraw/zinc/48/18/02/949481802.db2.gz TWHIYGUIOISGRR-BBBLOLIVSA-N -2 0 371.405 0.055 20 0 FCADRL O=C([O-])CN1CCCC[C@@H](NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1=O ZINC001595092706 951794631 /nfs/dbraw/zinc/79/46/31/951794631.db2.gz AVGARJPUMWVDPG-GFCCVEGCSA-N -2 0 374.353 0.225 20 0 FCADRL CCc1ncc(S(=O)(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)s1 ZINC001593653928 953729384 /nfs/dbraw/zinc/72/93/84/953729384.db2.gz HYFHTAKMBUMCQA-VIFPVBQESA-N -2 0 361.445 0.450 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC2(C(=O)[O-])CCOCC2)c1 ZINC001593706590 954149266 /nfs/dbraw/zinc/14/92/66/954149266.db2.gz BKYDANFPSJTSOX-UHFFFAOYSA-N -2 0 372.399 0.006 20 0 FCADRL CNc1ccc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])nc1 ZINC001593803409 954865492 /nfs/dbraw/zinc/86/54/92/954865492.db2.gz XZXORHOYGMYDQP-MWLCHTKSSA-N -2 0 374.319 0.860 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)oc1Cl ZINC001593875220 955657824 /nfs/dbraw/zinc/65/78/24/955657824.db2.gz BHILBRVQWRJMMF-LLVKDONJSA-N -2 0 353.736 0.242 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001594659278 956518928 /nfs/dbraw/zinc/51/89/28/956518928.db2.gz HHOBOYDQYHFDTI-CYBMUJFWSA-N -2 0 368.342 0.734 20 0 FCADRL O=C([O-])[C@H]1CC(C(=O)NC2(c3nnn[n-]3)CCC2)=NN1c1ccccc1 ZINC001594724557 956990593 /nfs/dbraw/zinc/99/05/93/956990593.db2.gz JXTTVIAPHATNLI-GFCCVEGCSA-N -2 0 355.358 0.415 20 0 FCADRL CC(=O)NCCN(C(=O)c1ncc(Br)cc1[O-])[C@H](C)C(=O)[O-] ZINC001573349561 958560294 /nfs/dbraw/zinc/56/02/94/958560294.db2.gz ROQCEFXYRHPESG-SSDOTTSWSA-N -2 0 374.191 0.601 20 0 FCADRL CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)[N-]OCCC2CC2)C1 ZINC001573450094 958869904 /nfs/dbraw/zinc/86/99/04/958869904.db2.gz BNHQETXOJATISM-INIZCTEOSA-N -2 0 358.391 0.925 20 0 FCADRL O=C([O-])C1(c2ccc(S(=O)(=O)NCCc3nc(=O)o[n-]3)cc2)CC1 ZINC000392251909 972433339 /nfs/dbraw/zinc/43/33/39/972433339.db2.gz JJZNATXKFJMDFE-UHFFFAOYSA-N -2 0 353.356 0.000 20 0 FCADRL C[C@@]1(C(=O)[O-])CCCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001573646463 959644798 /nfs/dbraw/zinc/64/47/98/959644798.db2.gz VMWKKSKQKSVCSH-AWEZNQCLSA-N -2 0 362.354 0.709 20 0 FCADRL C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C[C@@H]1C(=O)[O-] ZINC001573736199 960438045 /nfs/dbraw/zinc/43/80/45/960438045.db2.gz RBYDWENKSHLHBS-MFKMUULPSA-N -2 0 370.427 0.825 20 0 FCADRL CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)[N-]OCC(F)(F)F)C1 ZINC001588700285 960801309 /nfs/dbraw/zinc/80/13/09/960801309.db2.gz SDNJSLXGWMMIPH-LBPRGKRZSA-N -2 0 372.296 0.687 20 0 FCADRL CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]CC1(C(=O)[O-])CCOCC1 ZINC001588738266 961138013 /nfs/dbraw/zinc/13/80/13/961138013.db2.gz HSAJUHQSMOJJCC-NRFANRHFSA-N -2 0 356.466 0.599 20 0 FCADRL Cc1cccc([C@@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C(=O)[O-])c1 ZINC001574392393 961191828 /nfs/dbraw/zinc/19/18/28/961191828.db2.gz TXXJZDMAEUJFKS-CQSZACIVSA-N -2 0 352.354 0.939 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)nc2)on1 ZINC000315875159 963945989 /nfs/dbraw/zinc/94/59/89/963945989.db2.gz ZIICKIIHEVESHI-UHFFFAOYSA-N -2 0 368.371 0.083 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCC[C@@H](CC(=O)[O-])C3)cc2=O)n1 ZINC001605158420 972850997 /nfs/dbraw/zinc/85/09/97/972850997.db2.gz MONBGEQWOHXAIM-LBPRGKRZSA-N -2 0 359.386 0.899 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1CCC1 ZINC001605974767 972994942 /nfs/dbraw/zinc/99/49/42/972994942.db2.gz WDEOWLFGZZUYHF-RKDXNWHRSA-N -2 0 358.338 0.465 20 0 FCADRL CO[C@H](C(=O)[O-])C(=O)Nc1cccc(S(=O)(=O)[N-]c2ncccn2)c1 ZINC001604441151 973244183 /nfs/dbraw/zinc/24/41/83/973244183.db2.gz KIETXGWSROPGMC-NSHDSACASA-N -2 0 366.355 0.316 20 0 FCADRL CC[C@H](O)[C@H](C)C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001603585765 973755021 /nfs/dbraw/zinc/75/50/21/973755021.db2.gz BKNVNUDMIDJSQW-QCLAVDOMSA-N -2 0 354.325 0.516 20 0 FCADRL Cn1nccc1[C@H](NC(=O)c1ncc(Br)cc1[O-])C(=O)[O-] ZINC001605568516 973819112 /nfs/dbraw/zinc/81/91/12/973819112.db2.gz TVVOSVBWAADNDB-VIFPVBQESA-N -2 0 355.148 0.839 20 0 FCADRL O=C([O-])c1cc(NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)ccn1 ZINC001605698911 974123238 /nfs/dbraw/zinc/12/32/38/974123238.db2.gz NOHDMDIZFAYZRW-UHFFFAOYSA-N -2 0 371.321 0.975 20 0 FCADRL CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C(=O)[O-] ZINC001591833211 976106474 /nfs/dbraw/zinc/10/64/74/976106474.db2.gz UYIXLIRQKRFKQA-GFCCVEGCSA-N -2 0 372.761 0.967 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2n[nH]cc2Br)on1 ZINC000718125415 977954049 /nfs/dbraw/zinc/95/40/49/977954049.db2.gz CKHVQAFODWOJSR-UHFFFAOYSA-N -2 0 351.138 0.337 20 0 FCADRL C[C@H](CCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001592521249 978373241 /nfs/dbraw/zinc/37/32/41/978373241.db2.gz MXTHPZOCPPQFDO-MRVPVSSYSA-N -2 0 363.392 0.954 20 0 FCADRL C[C@](CO)(CNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)CC(=O)[O-] ZINC001592729359 979242915 /nfs/dbraw/zinc/24/29/15/979242915.db2.gz NNHCGTBTIXIUAL-IJVDHGTGSA-N -2 0 357.384 0.536 20 0 FCADRL C[C@@H](CS(=O)(=O)N[C@H](Cc1c[nH]c2cccnc12)C(=O)[O-])C(=O)[O-] ZINC001592807197 979473835 /nfs/dbraw/zinc/47/38/35/979473835.db2.gz LLXLFMYFZGEFFJ-GZMMTYOYSA-N -2 0 355.372 0.199 20 0 FCADRL C[C@@H](CS(=O)(=O)N[C@@H](Cc1c[nH]c2cccnc12)C(=O)[O-])C(=O)[O-] ZINC001592807199 979473855 /nfs/dbraw/zinc/47/38/55/979473855.db2.gz LLXLFMYFZGEFFJ-KWQFWETISA-N -2 0 355.372 0.199 20 0 FCADRL CCC[C@@H](O)[C@H](NS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1)C(=O)[O-] ZINC001595608575 981612288 /nfs/dbraw/zinc/61/22/88/981612288.db2.gz KPJAWTOPJKPGJE-YPMHNXCESA-N -2 0 363.363 0.345 20 0 FCADRL CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001594982751 982782641 /nfs/dbraw/zinc/78/26/41/982782641.db2.gz UAEBZBNTVMLPQB-JTQLQIEISA-N -2 0 372.399 0.375 20 0 FCADRL CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001596243712 983643785 /nfs/dbraw/zinc/64/37/85/983643785.db2.gz QJLLIWGYCXIGMD-UHFFFAOYSA-N -2 0 360.388 0.740 20 0 FCADRL CCOC(=O)c1cc(S(=O)(=O)[N-]c2c(C(=O)[O-])cnn2C)cn1C ZINC001596713476 984934320 /nfs/dbraw/zinc/93/43/20/984934320.db2.gz BLKVDGLOIJAXIE-UHFFFAOYSA-N -2 0 356.360 0.434 20 0 FCADRL C/C(=C\c1ccccn1)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001589005494 984964790 /nfs/dbraw/zinc/96/47/90/984964790.db2.gz HAUWQSXMISAKCP-ZHACJKMWSA-N -2 0 353.400 0.643 20 0 FCADRL CC(=O)CCc1ccc(O[C@H](C)C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cc1 ZINC001589034617 985072944 /nfs/dbraw/zinc/07/29/44/985072944.db2.gz FHVLOWPCFWLQCM-GFCCVEGCSA-N -2 0 371.411 0.896 20 0 FCADRL CCOC(=O)c1ncc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)s1 ZINC001596753955 985109616 /nfs/dbraw/zinc/10/96/16/985109616.db2.gz BCZURWIMGAKYLQ-UHFFFAOYSA-N -2 0 360.373 0.402 20 0 FCADRL CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC001589066087 985198905 /nfs/dbraw/zinc/19/89/05/985198905.db2.gz BTPMQGFICRLRRF-UHFFFAOYSA-N -2 0 358.372 0.357 20 0 FCADRL CC(=O)N[C@H](CC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC001589110813 985345297 /nfs/dbraw/zinc/34/52/97/985345297.db2.gz DXTDOQRKPQZNTD-JTNHKYCSSA-N -2 0 370.427 0.809 20 0 FCADRL CC(=O)N[C@@H](CC(=O)[N-]S(=O)(=O)CCC(=O)[O-])c1ccc(C)cc1 ZINC001589111615 985351763 /nfs/dbraw/zinc/35/17/63/985351763.db2.gz XDOYIYHZHHSKNL-ZDUSSCGKSA-N -2 0 356.400 0.483 20 0 FCADRL C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CCCC(=O)[O-] ZINC001599935804 985391810 /nfs/dbraw/zinc/39/18/10/985391810.db2.gz POBZPXCLVHKSPS-IUCAKERBSA-N -2 0 360.354 0.712 20 0 FCADRL CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001589136732 985436754 /nfs/dbraw/zinc/43/67/54/985436754.db2.gz PDWIXFNZIIYBAR-UHFFFAOYSA-N -2 0 360.388 0.788 20 0 FCADRL CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001589137623 985441392 /nfs/dbraw/zinc/44/13/92/985441392.db2.gz LAHNSEDPXVQPEU-ZETCQYMHSA-N -2 0 364.401 0.046 20 0 FCADRL CC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])s1 ZINC001589145835 985462068 /nfs/dbraw/zinc/46/20/68/985462068.db2.gz JFCIVEZKQQMPQF-JGVFFNPUSA-N -2 0 362.429 0.553 20 0 FCADRL CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CS[C@@H](C)C(=O)[O-])cc1 ZINC001589149822 985467174 /nfs/dbraw/zinc/46/71/74/985467174.db2.gz PIRJYUWQECXQSX-VIFPVBQESA-N -2 0 374.440 0.334 20 0 FCADRL CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])C(C)(C)C ZINC001589165454 985504975 /nfs/dbraw/zinc/50/49/75/985504975.db2.gz OSGFNKWGPCJALA-SNVBAGLBSA-N -2 0 362.429 0.802 20 0 FCADRL Cc1[nH]c(C([O-])=CS(=O)(=O)CCCC(=O)N(C)C)c(C)c1C(=O)[O-] ZINC001599947865 985559621 /nfs/dbraw/zinc/55/96/21/985559621.db2.gz RMINDIXUMXCRSS-UHFFFAOYSA-N -2 0 358.416 0.796 20 0 FCADRL CC(=O)c1cccc(NC(=C(F)C(=O)[O-])c2c([O-])[nH]c(=S)[nH]c2=O)c1 ZINC001589309440 986078976 /nfs/dbraw/zinc/07/89/76/986078976.db2.gz METSJAZDPLUXIF-SNVBAGLBSA-N -2 0 365.342 0.509 20 0 FCADRL CCOc1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC001597062544 986558562 /nfs/dbraw/zinc/55/85/62/986558562.db2.gz QHAZDAJINZHQHL-UHFFFAOYSA-N -2 0 356.400 0.857 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1cc(Br)cn1 ZINC001589450134 986837316 /nfs/dbraw/zinc/83/73/16/986837316.db2.gz AVCRNRPCFHZIDJ-NKWVEPMBSA-N -2 0 368.209 0.201 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1C(F)(F)F ZINC001589453095 986858122 /nfs/dbraw/zinc/85/81/22/986858122.db2.gz DIPRUJDXBSBBRQ-NTSWFWBYSA-N -2 0 357.310 0.608 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnc2)cc1 ZINC001589453474 986861167 /nfs/dbraw/zinc/86/11/67/986861167.db2.gz PKAXOLTWLJODPA-ZJUUUORDSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(N2CCNC2=O)c1 ZINC001589453386 986861834 /nfs/dbraw/zinc/86/18/34/986861834.db2.gz FXPWZXTVPUSJAW-NXEZZACHSA-N -2 0 369.399 0.385 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1-n1cccc1 ZINC001589453703 986865249 /nfs/dbraw/zinc/86/52/49/986865249.db2.gz IFQCGQGMOKFBCS-VHSXEESVSA-N -2 0 354.388 0.380 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)OCCO2 ZINC001589453990 986870454 /nfs/dbraw/zinc/87/04/54/986870454.db2.gz SJGUFFVZRNTBOV-ZJUUUORDSA-N -2 0 357.384 0.556 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc2c1O[C@@H](C)C(=O)N2 ZINC001594651256 986875407 /nfs/dbraw/zinc/87/54/07/986875407.db2.gz QIMBCPXIQZUULW-VGMNWLOBSA-N -2 0 370.383 0.575 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(-n2cc[nH]c2=O)c1 ZINC001589454578 986881415 /nfs/dbraw/zinc/88/14/15/986881415.db2.gz OZRIICZCLTXMGC-VHSXEESVSA-N -2 0 367.383 0.747 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)nc1 ZINC001589454629 986882672 /nfs/dbraw/zinc/88/26/72/986882672.db2.gz XAMVKPQUEWNSBG-NXEZZACHSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC001589455053 986890403 /nfs/dbraw/zinc/89/04/03/986890403.db2.gz ZDWJIHKQOVNRCH-CDGCEXEKSA-N -2 0 371.411 0.698 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC001589455056 986890567 /nfs/dbraw/zinc/89/05/67/986890567.db2.gz ZDWJIHKQOVNRCH-ZMJPVWNMSA-N -2 0 371.411 0.698 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1csc(-c2ncccc2F)n1 ZINC001589490731 987056556 /nfs/dbraw/zinc/05/65/56/987056556.db2.gz FDGZFCQFFPJBOP-LURJTMIESA-N -2 0 359.360 0.877 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(Nc2ccn(C)n2)cc1 ZINC001589491512 987059310 /nfs/dbraw/zinc/05/93/10/987059310.db2.gz KRJYDZFISAMGEN-VIFPVBQESA-N -2 0 352.372 0.696 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(NC(=O)C(C)(C)C)nc1 ZINC001589491811 987059614 /nfs/dbraw/zinc/05/96/14/987059614.db2.gz MWRAKFKYWDWPLN-MRVPVSSYSA-N -2 0 357.388 0.599 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC001589492343 987063567 /nfs/dbraw/zinc/06/35/67/987063567.db2.gz SOLBCADZSCEQTE-MFKMUULPSA-N -2 0 357.384 0.777 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC001589495250 987073679 /nfs/dbraw/zinc/07/36/79/987073679.db2.gz NZERVTKJFNMYAD-SECBINFHSA-N -2 0 371.367 0.340 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001597231229 987188833 /nfs/dbraw/zinc/18/88/33/987188833.db2.gz GXKSWFJQGCZDJC-UWVGGRQHSA-N -2 0 371.415 0.156 20 0 FCADRL CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)cn1 ZINC001589661040 987639850 /nfs/dbraw/zinc/63/98/50/987639850.db2.gz ZWQZINMMPLBKQO-UHFFFAOYSA-N -2 0 374.353 0.907 20 0 FCADRL CC(C)(C)C[C@@H](O)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)[O-] ZINC001589757370 988074720 /nfs/dbraw/zinc/07/47/20/988074720.db2.gz VUTSBLXUKZARRM-SCZZXKLOSA-N -2 0 365.429 0.975 20 0 FCADRL C[C@@H](O)[C@H](NC(=O)c1cccc(I)c1[O-])C(=O)[O-] ZINC001599846331 988938622 /nfs/dbraw/zinc/93/86/22/988938622.db2.gz XGJLHLZCUZIHET-XRGYYRRGSA-N -2 0 365.123 0.561 20 0 FCADRL CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001590092217 989216483 /nfs/dbraw/zinc/21/64/83/989216483.db2.gz LLDNXYPBOOYENF-MRVPVSSYSA-N -2 0 368.433 0.217 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]C(=O)c2cccc(CC(=O)[O-])c2)nc1C ZINC001597898074 989764895 /nfs/dbraw/zinc/76/48/95/989764895.db2.gz CRSAXFCRLRVSGB-UHFFFAOYSA-N -2 0 351.384 0.957 20 0 FCADRL COc1cccc(S([O-])=CC(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC001599683551 990949919 /nfs/dbraw/zinc/94/99/19/990949919.db2.gz QIANRGBPEKVXFB-NPNATVITSA-N -2 0 355.412 0.656 20 0 FCADRL CN(C)[S@@](=O)(=NS(=O)(=O)[N-]CC(F)(F)C(=O)[O-])c1ccccc1 ZINC001598257069 991070953 /nfs/dbraw/zinc/07/09/53/991070953.db2.gz FNRLWOHGNSTDJY-QFIPXVFZSA-N -2 0 371.387 0.544 20 0 FCADRL CN(C)[S@](=O)(=NS(=O)(=O)[N-]CC(F)(F)C(=O)[O-])c1ccccc1 ZINC001598257065 991071077 /nfs/dbraw/zinc/07/10/77/991071077.db2.gz FNRLWOHGNSTDJY-JOCHJYFZSA-N -2 0 371.387 0.544 20 0 FCADRL CN(C)c1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC001598301520 991254471 /nfs/dbraw/zinc/25/44/71/991254471.db2.gz UOFKCLPMRPKMEF-UHFFFAOYSA-N -2 0 366.399 0.689 20 0 FCADRL CN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598448697 991896860 /nfs/dbraw/zinc/89/68/60/991896860.db2.gz UEYSYSWQBZLNAR-ZDUSSCGKSA-N -2 0 367.427 0.963 20 0 FCADRL CN(CCC(=O)[N-]S(=O)(=O)CC(=O)[O-])C(=O)OCc1ccccc1 ZINC001598469816 992008514 /nfs/dbraw/zinc/00/85/14/992008514.db2.gz ZGNRMJDJLOLXJY-UHFFFAOYSA-N -2 0 358.372 0.176 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC001598470200 992014451 /nfs/dbraw/zinc/01/44/51/992014451.db2.gz QGQOSXLORLUDLL-SNVBAGLBSA-N -2 0 370.383 0.219 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N[C@@H](C(=O)[O-])c1c(F)cccc1F ZINC001598471601 992034263 /nfs/dbraw/zinc/03/42/63/992034263.db2.gz WDQCKHUFNUCHIJ-LLVKDONJSA-N -2 0 352.315 0.331 20 0 FCADRL C[S@](=O)c1cccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001599780722 992360370 /nfs/dbraw/zinc/36/03/70/992360370.db2.gz UPFZFFXEOWGXTF-QHCPKHFHSA-N -2 0 374.440 0.195 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])cc1=O ZINC001591505951 992652006 /nfs/dbraw/zinc/65/20/06/992652006.db2.gz NJXFQNUGQUQOTJ-AWEZNQCLSA-N -2 0 353.419 0.761 20 0 FCADRL CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])n2C)c1 ZINC001591525989 992702234 /nfs/dbraw/zinc/70/22/34/992702234.db2.gz QIHWTQDZAQSVCM-UHFFFAOYSA-N -2 0 354.388 0.695 20 0 FCADRL CN1CC[C@@H](C(=O)[N-]S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)CC1=O ZINC001598580034 993328496 /nfs/dbraw/zinc/32/84/96/993328496.db2.gz YXCPESVDWGWWSU-SNVBAGLBSA-N -2 0 355.372 0.026 20 0 FCADRL COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c1 ZINC001599603850 993856135 /nfs/dbraw/zinc/85/61/35/993856135.db2.gz LYTCWUKYUPAZSZ-PWSUYJOCSA-N -2 0 357.384 0.728 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC(C)(C)OC[C@@H]2C(=O)[O-])cc1C(=O)[O-] ZINC001599607492 993906284 /nfs/dbraw/zinc/90/62/84/993906284.db2.gz BABNQQFKTDRBAL-LLVKDONJSA-N -2 0 373.383 0.646 20 0 FCADRL COc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CCC2)c(CC(=O)[O-])c1 ZINC001599608222 993915677 /nfs/dbraw/zinc/91/56/77/993915677.db2.gz XLIULTQHBPJNDL-UHFFFAOYSA-N -2 0 357.384 0.950 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(OCC(=O)[O-])c2)cn1 ZINC001599612370 993971771 /nfs/dbraw/zinc/97/17/71/993971771.db2.gz XZUWZPBYGOIYKE-UHFFFAOYSA-N -2 0 366.351 0.672 20 0 FCADRL C[C@@H](NC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cn[nH]c1)C(=O)[O-] ZINC001593166455 994007278 /nfs/dbraw/zinc/00/72/78/994007278.db2.gz BLRAWDSPVJQDAD-SSDOTTSWSA-N -2 0 356.335 0.553 20 0 FCADRL COc1cccc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])c1OC ZINC001599642270 994376347 /nfs/dbraw/zinc/37/63/47/994376347.db2.gz HMXSOTWZYYBUPW-UHFFFAOYSA-N -2 0 372.380 0.977 20 0 FCADRL CNC(=O)COc1ccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC001598646773 994384477 /nfs/dbraw/zinc/38/44/77/994384477.db2.gz OLVRRZOUVXAAED-UHFFFAOYSA-N -2 0 365.367 0.705 20 0 FCADRL CNC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001598655390 994512333 /nfs/dbraw/zinc/51/23/33/994512333.db2.gz LEERUUXUPBAEEB-UHFFFAOYSA-N -2 0 374.415 0.916 20 0 FCADRL CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)CCSCC(=O)[O-])cc1 ZINC001598658390 994558626 /nfs/dbraw/zinc/55/86/26/994558626.db2.gz XFRZMMPBHNQQHV-UHFFFAOYSA-N -2 0 374.440 0.200 20 0 FCADRL CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])c1 ZINC001598658888 994565751 /nfs/dbraw/zinc/56/57/51/994565751.db2.gz HHRRZFLNVOWRDX-UHFFFAOYSA-N -2 0 369.380 0.320 20 0 FCADRL CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC001598676954 994861633 /nfs/dbraw/zinc/86/16/33/994861633.db2.gz KYHNOOVZGVOKDG-UHFFFAOYSA-N -2 0 371.396 0.489 20 0 FCADRL C[C@H](NS(=O)(=O)c1ccc(Br)cc1CC(=O)[O-])C(=O)[O-] ZINC001593331025 994898843 /nfs/dbraw/zinc/89/88/43/994898843.db2.gz QXTCRPYLXHRPAM-LURJTMIESA-N -2 0 366.189 0.828 20 0 FCADRL COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1ccccc1C(=O)[O-] ZINC001598687500 995017506 /nfs/dbraw/zinc/01/75/06/995017506.db2.gz HZFGNIOUADIAOG-GHMZBOCLSA-N -2 0 371.411 0.961 20 0 FCADRL COC(=O)[C@H](CC(=O)[O-])NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001598694252 995111358 /nfs/dbraw/zinc/11/13/58/995111358.db2.gz JWEDCHTVOYIMBL-JTQLQIEISA-N -2 0 351.290 0.463 20 0 FCADRL COC(=O)[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001598697165 995159031 /nfs/dbraw/zinc/15/90/31/995159031.db2.gz NAFFTFZKDPFWOU-WPRPVWTQSA-N -2 0 362.360 0.009 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccnn1C ZINC001598714282 995385876 /nfs/dbraw/zinc/38/58/76/995385876.db2.gz QONLGXTVJOVEAB-SNVBAGLBSA-N -2 0 359.385 0.372 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1)c1ccn(C)n1 ZINC001598714440 995387707 /nfs/dbraw/zinc/38/77/07/995387707.db2.gz UALZJULSNGVGFX-GFCCVEGCSA-N -2 0 368.371 0.014 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1)c1ccn(C)n1 ZINC001598714448 995388377 /nfs/dbraw/zinc/38/83/77/995388377.db2.gz UALZJULSNGVGFX-LBPRGKRZSA-N -2 0 368.371 0.014 20 0 FCADRL C[C@H](c1ccccc1)[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC001593706862 996198398 /nfs/dbraw/zinc/19/83/98/996198398.db2.gz OPNVVPLRTUHVMI-RISCZKNCSA-N -2 0 370.427 0.874 20 0 FCADRL COC(=O)[C@H]1CN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC001598824150 996363068 /nfs/dbraw/zinc/36/30/68/996363068.db2.gz ZFDWMBBYCMEJRX-QWRGUYRKSA-N -2 0 370.383 0.004 20 0 FCADRL COC(=O)[C@H]1CN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC001598824148 996363130 /nfs/dbraw/zinc/36/31/30/996363130.db2.gz ZFDWMBBYCMEJRX-MNOVXSKESA-N -2 0 370.383 0.004 20 0 FCADRL COC(=O)/C=C\c1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])o1 ZINC001598829472 996420425 /nfs/dbraw/zinc/42/04/25/996420425.db2.gz DCOLSQUYJCEKCB-QRJDUPJOSA-N -2 0 359.356 0.635 20 0 FCADRL C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2C(=O)[O-])C1 ZINC001593783752 996497967 /nfs/dbraw/zinc/49/79/67/996497967.db2.gz TVYOLZDNRMZNJG-HNNXBMFYSA-N -2 0 356.281 0.925 20 0 FCADRL COC(=O)C[C@@H](NC(=O)c1nn(-c2cccc(F)c2)cc1[O-])C(=O)[O-] ZINC001598840435 996520555 /nfs/dbraw/zinc/52/05/55/996520555.db2.gz LWMWSDWVVLMZLN-SNVBAGLBSA-N -2 0 351.290 0.463 20 0 FCADRL COC(=O)C[C@H](NC(=O)c1nn(-c2cccc(F)c2)cc1[O-])C(=O)[O-] ZINC001598840433 996520760 /nfs/dbraw/zinc/52/07/60/996520760.db2.gz LWMWSDWVVLMZLN-JTQLQIEISA-N -2 0 351.290 0.463 20 0 FCADRL COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]OCCCC(=O)[O-] ZINC001598857143 996647444 /nfs/dbraw/zinc/64/74/44/996647444.db2.gz UCGDUINOSUZAIC-SNVBAGLBSA-N -2 0 362.379 0.746 20 0 FCADRL COC(=O)N1CCC(C(=O)[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC001598879298 996790913 /nfs/dbraw/zinc/79/09/13/996790913.db2.gz HLUGUNAJHJYFES-UHFFFAOYSA-N -2 0 374.371 0.570 20 0 FCADRL COc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c(Br)c1 ZINC001599484059 996815619 /nfs/dbraw/zinc/81/56/19/996815619.db2.gz NQWKDWKYJWTWFF-ZCFIWIBFSA-N -2 0 366.189 0.990 20 0 FCADRL COc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])nc1Cl ZINC001599485306 996838250 /nfs/dbraw/zinc/83/82/50/996838250.db2.gz MXOBARKHOZDOCN-NKWVEPMBSA-N -2 0 350.780 0.912 20 0 FCADRL COCc1cncc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC001599298477 997189777 /nfs/dbraw/zinc/18/97/77/997189777.db2.gz BHYPBDCENQMWRP-UHFFFAOYSA-N -2 0 354.340 0.946 20 0 FCADRL COc1cc(CN(CC(=O)[O-])S(=O)(=O)c2ncc[n-]2)cc(OC)c1 ZINC001599406936 997327174 /nfs/dbraw/zinc/32/71/74/997327174.db2.gz PDLKYPLLIRKVRO-UHFFFAOYSA-N -2 0 355.372 0.702 20 0 FCADRL COCC[C@H](NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)C(=O)[O-] ZINC001599211274 997504750 /nfs/dbraw/zinc/50/47/50/997504750.db2.gz BOVFVSDFRQIQKK-NSHDSACASA-N -2 0 351.384 0.291 20 0 FCADRL COCC[C@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C(=O)[O-] ZINC001599219610 997643034 /nfs/dbraw/zinc/64/30/34/997643034.db2.gz RVPPXGOTUDCKLE-QMMMGPOBSA-N -2 0 353.299 0.431 20 0 FCADRL COc1c(C(=O)[N-]S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c(C)nn1C ZINC001599328734 997710004 /nfs/dbraw/zinc/71/00/04/997710004.db2.gz YIOSAYLLUXJFLO-UHFFFAOYSA-N -2 0 368.371 0.522 20 0 FCADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]N1CCCNC1=O ZINC001599330023 997731871 /nfs/dbraw/zinc/73/18/71/997731871.db2.gz MXQDSPKUFISFNP-UHFFFAOYSA-N -2 0 363.779 0.655 20 0 FCADRL COc1cc(NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])c(C(=O)[O-])cc1OC ZINC001599429651 997736151 /nfs/dbraw/zinc/73/61/51/997736151.db2.gz YROBVVOXCBGCQV-MRVPVSSYSA-N -2 0 368.342 0.520 20 0 FCADRL COCCCn1cc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cn1 ZINC001599230459 997839210 /nfs/dbraw/zinc/83/92/10/997839210.db2.gz VMCLCOSXXYAUOQ-UHFFFAOYSA-N -2 0 357.344 0.330 20 0 FCADRL C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)[N-]OCCCC(=O)[O-])C1=O ZINC001594072440 997919347 /nfs/dbraw/zinc/91/93/47/997919347.db2.gz BGKYPBZRHSWCAU-MRXNPFEDSA-N -2 0 367.333 0.505 20 0 FCADRL COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001599235027 997929421 /nfs/dbraw/zinc/92/94/21/997929421.db2.gz BJPQBNYRDKVUSL-UHFFFAOYSA-N -2 0 359.400 0.771 20 0 FCADRL COc1c([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)cccc1C(N)=O ZINC001599344484 997978521 /nfs/dbraw/zinc/97/85/21/997978521.db2.gz LMJDLCCQAJGMJV-UHFFFAOYSA-N -2 0 365.367 0.997 20 0 FCADRL CO[C@@H]1CN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)[C@@](C)(C(=O)[O-])C1 ZINC001599133687 998000207 /nfs/dbraw/zinc/00/02/07/998000207.db2.gz KDUGLLIYTXEUGX-MWODSPESSA-N -2 0 354.325 0.780 20 0 FCADRL COCCOc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001599258777 998350421 /nfs/dbraw/zinc/35/04/21/998350421.db2.gz PFHDZJIMOLLVLB-UHFFFAOYSA-N -2 0 365.791 0.900 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c1 ZINC001598964670 998393608 /nfs/dbraw/zinc/39/36/08/998393608.db2.gz YCFXZRFFVQCAQG-WCBMZHEXSA-N -2 0 371.367 0.655 20 0 FCADRL COCCOc1cncc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC001599262187 998404991 /nfs/dbraw/zinc/40/49/91/998404991.db2.gz VFOWSAJYOOZMPN-UWVGGRQHSA-N -2 0 360.388 0.276 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001598968619 998470822 /nfs/dbraw/zinc/47/08/22/998470822.db2.gz JPXOBFQSFQOILO-QMMMGPOBSA-N -2 0 359.356 0.513 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])o2)s1 ZINC001598988080 998712624 /nfs/dbraw/zinc/71/26/24/998712624.db2.gz IXLNXVOAIYWVQX-UHFFFAOYSA-N -2 0 359.337 0.945 20 0 FCADRL COC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001599011328 998900929 /nfs/dbraw/zinc/90/09/29/998900929.db2.gz MSVDVEQLZGZTKJ-UHFFFAOYSA-N -2 0 371.346 0.774 20 0 FCADRL COC(=O)c1coc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC001599012473 998910179 /nfs/dbraw/zinc/91/01/79/998910179.db2.gz FXCWCOVHNWDZKT-UHFFFAOYSA-N -2 0 359.337 0.945 20 0 FCADRL COC(=O)c1coc(S(=O)(=O)[N-]c2cnn(C(C)(C)C(=O)[O-])c2)c1 ZINC001599012565 998911207 /nfs/dbraw/zinc/91/12/07/998911207.db2.gz FZQZBPNOMBMZKG-UHFFFAOYSA-N -2 0 357.344 0.883 20 0 FCADRL CO[C@H](C(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1)[C@@H]1CCOC1 ZINC001599028682 999034724 /nfs/dbraw/zinc/03/47/24/999034724.db2.gz QKPUFXZZPCZBOH-PWSUYJOCSA-N -2 0 358.372 0.209 20 0 FCADRL CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC001599037840 999096257 /nfs/dbraw/zinc/09/62/57/999096257.db2.gz QXJAQEXMSPDPCS-NSHDSACASA-N -2 0 359.400 0.861 20 0 FCADRL CO[C@@H](C)CS(=O)(=O)[N-]C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC001599038087 999098284 /nfs/dbraw/zinc/09/82/84/999098284.db2.gz XBBYSBLJAPHFTR-ZETCQYMHSA-N -2 0 360.388 0.247 20 0 FCADRL CO[C@H](C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1C)C(=O)[O-])C1CC1 ZINC001599042345 999127037 /nfs/dbraw/zinc/12/70/37/999127037.db2.gz BJNDZSYXDYSMQD-NXEZZACHSA-N -2 0 361.372 0.833 20 0 FCADRL CO[C@H](CS(=O)(=O)[N-]c1cccc(CC(=O)[O-])n1)C1CCOCC1 ZINC001599059691 999256169 /nfs/dbraw/zinc/25/61/69/999256169.db2.gz PQCJEQLBMDDFNF-CYBMUJFWSA-N -2 0 358.416 0.892 20 0 FCADRL C[C@@H]1CCN(C(=O)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)C[C@@H]1C(=O)[O-] ZINC001594395209 999489000 /nfs/dbraw/zinc/48/90/00/999489000.db2.gz ZWTVTDAFJVQQTG-WOPDTQHZSA-N -2 0 352.387 0.269 20 0 FCADRL C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])[C@H](C(=O)[O-])C1 ZINC001594410415 999531803 /nfs/dbraw/zinc/53/18/03/999531803.db2.gz OXTFUYFBCGTMIJ-GWCFXTLKSA-N -2 0 370.427 0.968 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(N2CCC(C)CC2)nc1 ZINC001594434163 999612522 /nfs/dbraw/zinc/61/25/22/999612522.db2.gz CZEGZQBUHJMRBL-NSHDSACASA-N -2 0 355.416 0.851 20 0 FCADRL CO[C@H](CS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000296895929 214368724 /nfs/dbraw/zinc/36/87/24/214368724.db2.gz IWWHRHQFYHGRAJ-BFHYXJOUSA-N -2 0 371.411 0.811 20 0 FCADRL CCOC(=O)c1ccc(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000297065810 214377488 /nfs/dbraw/zinc/37/74/88/214377488.db2.gz WMQAHGIBGLBXAK-NSHDSACASA-N -2 0 359.356 0.211 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc2c(c1)C(=O)CCC2)C(=O)[O-] ZINC000290757871 213989601 /nfs/dbraw/zinc/98/96/01/213989601.db2.gz ZAQNKWWTMBCUHO-JTQLQIEISA-N -2 0 355.368 0.659 20 0 FCADRL CCOC(=O)c1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])ccc1C ZINC000284919196 213248087 /nfs/dbraw/zinc/24/80/87/213248087.db2.gz BTAWRHALZSSMIZ-LLVKDONJSA-N -2 0 359.356 0.378 20 0 FCADRL CCOC(=O)c1ccc(C)c(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000276652492 212272654 /nfs/dbraw/zinc/27/26/54/212272654.db2.gz ZHWMUXIDKZVVAF-NSHDSACASA-N -2 0 373.383 0.626 20 0 FCADRL O=C([O-])CCCNC(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000414630076 245307937 /nfs/dbraw/zinc/30/79/37/245307937.db2.gz SNSPENKDEGKSAB-JSGCOSHPSA-N -2 0 363.370 0.577 20 0 FCADRL CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000275267554 211995987 /nfs/dbraw/zinc/99/59/87/211995987.db2.gz JOSMMRRZVSTUHD-SSDOTTSWSA-N -2 0 356.360 0.310 20 0 FCADRL CCOc1ccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cn1 ZINC000275177778 211976669 /nfs/dbraw/zinc/97/66/69/211976669.db2.gz WDSMWHVMGLDJRH-CQSZACIVSA-N -2 0 358.372 0.420 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)C[C@@H]1C(=O)[O-] ZINC000275163305 211973640 /nfs/dbraw/zinc/97/36/40/211973640.db2.gz UHRNRPGKWNWUGS-RQJHMYQMSA-N -2 0 367.301 0.900 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1F ZINC000275084455 211959911 /nfs/dbraw/zinc/95/99/11/211959911.db2.gz JENHZRDPZYOJMW-UWVGGRQHSA-N -2 0 361.347 0.630 20 0 FCADRL COCc1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1 ZINC000274993565 211944222 /nfs/dbraw/zinc/94/42/22/211944222.db2.gz FMITYLGFJPCELW-STQMWFEESA-N -2 0 357.384 0.629 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000275012969 211947629 /nfs/dbraw/zinc/94/76/29/211947629.db2.gz QIRQMOBSHPOZHB-VIFPVBQESA-N -2 0 359.356 0.302 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)n1 ZINC000438762406 248095340 /nfs/dbraw/zinc/09/53/40/248095340.db2.gz BSEVQOXIJQXBML-UHFFFAOYSA-N -2 0 356.335 0.397 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1sccc1Br)C(=O)[O-] ZINC000108452881 208246199 /nfs/dbraw/zinc/24/61/99/208246199.db2.gz WKHPZJHIBYMHSJ-YFKPBYRVSA-N -2 0 358.191 0.717 20 0 FCADRL COc1cc(C)c(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1Cl ZINC000278685714 488889534 /nfs/dbraw/zinc/88/95/34/488889534.db2.gz MEGHJYCBFVKVBH-UHFFFAOYSA-N -2 0 351.764 0.817 20 0 FCADRL O=C([O-])CCC[C@@H](NS(=O)(=O)c1cccc2c1OCCO2)C(=O)[O-] ZINC000278726412 488892658 /nfs/dbraw/zinc/89/26/58/488892658.db2.gz PDWPXSAQLXCYQF-SECBINFHSA-N -2 0 359.356 0.444 20 0 FCADRL CCc1ccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cc1C(=O)[O-] ZINC000325469302 488910640 /nfs/dbraw/zinc/91/06/40/488910640.db2.gz CIBFFAGUGRQFIW-UHFFFAOYSA-N -2 0 352.372 0.430 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cn1 ZINC000326718604 488916321 /nfs/dbraw/zinc/91/63/21/488916321.db2.gz YMCBOLIRKHSILU-UHFFFAOYSA-N -2 0 352.372 0.437 20 0 FCADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(=O)N(C)C)c1 ZINC000066585250 488332369 /nfs/dbraw/zinc/33/23/69/488332369.db2.gz GFWNZTRCFPHXJD-UHFFFAOYSA-N -2 0 366.399 0.779 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccccc1Br ZINC000110969670 488527381 /nfs/dbraw/zinc/52/73/81/488527381.db2.gz KQQBVCZFYNPMDM-UHFFFAOYSA-N -2 0 352.162 0.609 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1Br ZINC000110969260 488527657 /nfs/dbraw/zinc/52/76/57/488527657.db2.gz FXCRMMOOETUSRQ-UHFFFAOYSA-N -2 0 370.152 0.748 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000262539612 488576333 /nfs/dbraw/zinc/57/63/33/488576333.db2.gz RAKNJZBGKCAPKC-MRVPVSSYSA-N -2 0 357.388 0.467 20 0 FCADRL COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000274926136 488744368 /nfs/dbraw/zinc/74/43/68/488744368.db2.gz NYDMMYSQOSFDDR-SECBINFHSA-N -2 0 365.747 0.333 20 0 FCADRL O=C([O-])[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000274961753 488748687 /nfs/dbraw/zinc/74/86/87/488748687.db2.gz JEWNXKIVARHSSN-LLVKDONJSA-N -2 0 368.333 0.168 20 0 FCADRL COC(=O)c1ccc(C)c(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000275010282 488753148 /nfs/dbraw/zinc/75/31/48/488753148.db2.gz PSGNUQJDUWHSJX-SNVBAGLBSA-N -2 0 359.356 0.235 20 0 FCADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CCS(C)(=O)=O ZINC000275016294 488753518 /nfs/dbraw/zinc/75/35/18/488753518.db2.gz NZIDGTBMOCHAOM-UHFFFAOYSA-N -2 0 365.429 0.958 20 0 FCADRL C[C@@H](CCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000275052364 488756896 /nfs/dbraw/zinc/75/68/96/488756896.db2.gz XHNLSXRBTNXPBA-ZETCQYMHSA-N -2 0 356.360 0.215 20 0 FCADRL CC(=O)Nc1cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])ccc1F ZINC000275061042 488757556 /nfs/dbraw/zinc/75/75/56/488757556.db2.gz YXBGDODXWGLZRB-MRVPVSSYSA-N -2 0 362.335 0.238 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1OC ZINC000275070182 488758676 /nfs/dbraw/zinc/75/86/76/488758676.db2.gz GWCWWICFJHQMTF-WDEREUQCSA-N -2 0 373.383 0.500 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000275173218 488768721 /nfs/dbraw/zinc/76/87/21/488768721.db2.gz VSMJZICSKKYFQT-HNNXBMFYSA-N -2 0 371.367 0.398 20 0 FCADRL CC(C)Cn1cnc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1 ZINC000275188093 488770600 /nfs/dbraw/zinc/77/06/00/488770600.db2.gz XMHTWPNLQYVWAU-MNOVXSKESA-N -2 0 359.404 0.335 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-] ZINC000275264807 488778419 /nfs/dbraw/zinc/77/84/19/488778419.db2.gz MPCYIAPVMQSLFY-SCSAIBSYSA-N -2 0 362.307 0.614 20 0 FCADRL C[C@@H](COC1CCCC1)CS(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-] ZINC000563226996 491228915 /nfs/dbraw/zinc/22/89/15/491228915.db2.gz RRFSTFKOFKRHBS-QWRGUYRKSA-N -2 0 351.421 0.677 20 0 FCADRL C[C@H](COC1CCCC1)CS(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000563226988 491229007 /nfs/dbraw/zinc/22/90/07/491229007.db2.gz RRFSTFKOFKRHBS-GHMZBOCLSA-N -2 0 351.421 0.677 20 0 FCADRL COC(=O)Cc1cccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])c1 ZINC000290704896 489159493 /nfs/dbraw/zinc/15/94/93/489159493.db2.gz SOPUQYBVOPTTHH-GFCCVEGCSA-N -2 0 373.383 0.389 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c(C(N)=O)n1 ZINC000414396000 489498695 /nfs/dbraw/zinc/49/86/95/489498695.db2.gz LIWUURSONXHMKZ-UHFFFAOYSA-N -2 0 364.383 0.507 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)CCc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000570805939 491265736 /nfs/dbraw/zinc/26/57/36/491265736.db2.gz SHQBWYGNFBZFOI-LBPRGKRZSA-N -2 0 357.384 0.259 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c1 ZINC000570868216 491270602 /nfs/dbraw/zinc/27/06/02/491270602.db2.gz PCYZAEMXFRQUOR-HOMQSWHASA-N -2 0 369.399 0.610 20 0 FCADRL CCn1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c(C(N)=O)n1 ZINC000430986476 489784130 /nfs/dbraw/zinc/78/41/30/489784130.db2.gz HDNSBXBXIRBYLP-UHFFFAOYSA-N -2 0 352.372 0.809 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCO3)cc1C(=O)[O-] ZINC000491146099 489796327 /nfs/dbraw/zinc/79/63/27/489796327.db2.gz OFSCLOOFBYWNFB-UHFFFAOYSA-N -3 0 368.323 0.951 20 0 FCADRL COC(=O)Cn1ncc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1C ZINC000476743963 489913246 /nfs/dbraw/zinc/91/32/46/489913246.db2.gz ISAWWMCRQKBLRW-UHFFFAOYSA-N -2 0 372.341 0.675 20 0 FCADRL CS(=O)(=O)c1nc(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)n[n-]1 ZINC000520395688 490142921 /nfs/dbraw/zinc/14/29/21/490142921.db2.gz XMIPIZVKOJJKPW-UHFFFAOYSA-N -2 0 350.316 0.216 20 0 FCADRL O=C([O-])CC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000391869500 490144781 /nfs/dbraw/zinc/14/47/81/490144781.db2.gz YENRSRVMLXNYJU-SSDOTTSWSA-N -3 0 350.280 0.330 20 0 FCADRL Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c1 ZINC000533572833 490258269 /nfs/dbraw/zinc/25/82/69/490258269.db2.gz NARZAFSEASGVKG-LLVKDONJSA-N -2 0 364.431 0.899 20 0 FCADRL CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1C ZINC000547553310 490315531 /nfs/dbraw/zinc/31/55/31/490315531.db2.gz DEWYXHFKMYDNTF-MRVPVSSYSA-N -2 0 362.360 0.014 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000547596301 490326918 /nfs/dbraw/zinc/32/69/18/490326918.db2.gz GDIZSOJWWKOTJG-NEPJUHHUSA-N -2 0 372.355 0.532 20 0 FCADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c(O)c1 ZINC000467753744 490337614 /nfs/dbraw/zinc/33/76/14/490337614.db2.gz RPFFSKOTGKHICF-UHFFFAOYSA-N -3 0 362.319 0.775 20 0 FCADRL O=C([O-])c1ccc(-n2cnnc2)c([N-]S(=O)(=O)c2cnc3n2CCC3)c1 ZINC000547903906 490382121 /nfs/dbraw/zinc/38/21/21/490382121.db2.gz CPIQOPOXTWPCEI-UHFFFAOYSA-N -2 0 374.382 0.909 20 0 FCADRL C[C@](CNS(=O)(=O)c1ccc2c(c1)CCCO2)(CC(=O)[O-])C(=O)[O-] ZINC000547937514 490392160 /nfs/dbraw/zinc/39/21/60/490392160.db2.gz JBYDYHMZRALYFW-OAHLLOKOSA-N -2 0 357.384 0.856 20 0 FCADRL COC(=O)CCN(C)S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000548199337 490436093 /nfs/dbraw/zinc/43/60/93/490436093.db2.gz RPAWPRVAIRPRDB-UHFFFAOYSA-N -2 0 360.344 0.235 20 0 FCADRL Cc1nn(C)c2ncc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc12 ZINC000548259881 490452484 /nfs/dbraw/zinc/45/24/84/490452484.db2.gz FMLWOVBYAYLAHR-AWEZNQCLSA-N -2 0 370.387 0.121 20 0 FCADRL C[C@@](CNS(=O)(=O)c1cnn(-c2ccccc2)c1)(CC(=O)[O-])C(=O)[O-] ZINC000548259598 490452566 /nfs/dbraw/zinc/45/25/66/490452566.db2.gz KDJCKMZDGBDHBI-HNNXBMFYSA-N -2 0 367.383 0.716 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(-n3nnnc3C)c2)c[nH]1 ZINC000548260607 490452625 /nfs/dbraw/zinc/45/26/25/490452625.db2.gz JSPBSSXYFJOGCC-UHFFFAOYSA-N -2 0 363.359 0.501 20 0 FCADRL CCOC(=O)c1cccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000548263742 490452826 /nfs/dbraw/zinc/45/28/26/490452826.db2.gz ZESPSVMEJMVWBO-HNNXBMFYSA-N -2 0 373.383 0.707 20 0 FCADRL Cc1nn(C)c2ncc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc12 ZINC000548259882 490452961 /nfs/dbraw/zinc/45/29/61/490452961.db2.gz FMLWOVBYAYLAHR-CQSZACIVSA-N -2 0 370.387 0.121 20 0 FCADRL CCc1noc2ncc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc12 ZINC000548549767 490504495 /nfs/dbraw/zinc/50/44/95/490504495.db2.gz LHZJLSLKBFRPMC-SSDOTTSWSA-N -2 0 357.344 0.239 20 0 FCADRL C[C@](CNS(=O)(=O)c1cccc2c1OCCO2)(CC(=O)[O-])C(=O)[O-] ZINC000548588973 490513508 /nfs/dbraw/zinc/51/35/08/490513508.db2.gz XYMYXLQEONDGOL-CQSZACIVSA-N -2 0 359.356 0.302 20 0 FCADRL COC(=O)Cc1ccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc1 ZINC000571859257 491333420 /nfs/dbraw/zinc/33/34/20/491333420.db2.gz IQLOVIAXIJWAPF-GFCCVEGCSA-N -2 0 373.383 0.389 20 0 FCADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)c1 ZINC000512747673 490696702 /nfs/dbraw/zinc/69/67/02/490696702.db2.gz ULCJESVYJZAXJO-UHFFFAOYSA-N -2 0 370.362 0.705 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)nc2)cc1CC(=O)[O-] ZINC000539193076 490767348 /nfs/dbraw/zinc/76/73/48/490767348.db2.gz GGYVCPKHDCOKBZ-UHFFFAOYSA-N -2 0 365.367 0.617 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)c1C(=O)[O-] ZINC000539194579 490768259 /nfs/dbraw/zinc/76/82/59/490768259.db2.gz NGAUNSSHLFXIGD-UHFFFAOYSA-N -2 0 373.412 0.464 20 0 FCADRL COCCn1ccc([N-]S(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)n1 ZINC000539239416 490772708 /nfs/dbraw/zinc/77/27/08/490772708.db2.gz NKZFPJZLQWPICT-UHFFFAOYSA-N -2 0 369.399 0.966 20 0 FCADRL COc1ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c(OC)c1 ZINC000516850823 490880749 /nfs/dbraw/zinc/88/07/49/490880749.db2.gz NOSAULSZSFIHIQ-CQSZACIVSA-N -2 0 361.372 0.548 20 0 FCADRL O=C([O-])[C@@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000569576666 491170668 /nfs/dbraw/zinc/17/06/68/491170668.db2.gz DMGNAOYRXWZONJ-NSHDSACASA-N -2 0 362.354 0.709 20 0 FCADRL CO[C@@H](CS(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c1ccccc1 ZINC000562643037 491178024 /nfs/dbraw/zinc/17/80/24/491178024.db2.gz DAUSPHFKHNBEGJ-SWLSCSKDSA-N -2 0 359.400 0.859 20 0 FCADRL CO[C@H]1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)[C@H](C(=O)[O-])C1 ZINC000568290919 491567549 /nfs/dbraw/zinc/56/75/49/491567549.db2.gz VOVNQDSZUXQIDM-JQWIXIFHSA-N -2 0 353.400 0.573 20 0 FCADRL COC(=O)C1(CS(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])CCCCC1 ZINC000577598780 491635261 /nfs/dbraw/zinc/63/52/61/491635261.db2.gz SQVKQAUSUFSBLQ-JTQLQIEISA-N -2 0 365.404 0.347 20 0 FCADRL COC(=O)c1c(C)cccc1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000614364107 492025851 /nfs/dbraw/zinc/02/58/51/492025851.db2.gz WXZMRHKWDFBKLV-SECBINFHSA-N -2 0 359.356 0.235 20 0 FCADRL CCOC(=O)c1nc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)c[nH]1 ZINC000618906249 492242605 /nfs/dbraw/zinc/24/26/05/492242605.db2.gz AQGYOUUBMMQWIF-UHFFFAOYSA-N -2 0 364.387 0.977 20 0 FCADRL COCCOc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccn(C)n1 ZINC000629324594 492608930 /nfs/dbraw/zinc/60/89/30/492608930.db2.gz SJFPWBXUVIESPQ-UHFFFAOYSA-N -2 0 355.372 0.944 20 0 FCADRL COCC1(S(=O)(=O)N[C@@H](Cc2ccc(CC(=O)[O-])cc2)C(=O)[O-])CC1 ZINC000650418803 492640717 /nfs/dbraw/zinc/64/07/17/492640717.db2.gz GPPJAIVPZZJWAI-ZDUSSCGKSA-N -2 0 371.411 0.408 20 0 FCADRL C[C@H]1CN(C(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)CC[C@H]1C(=O)[O-] ZINC000625955823 492905997 /nfs/dbraw/zinc/90/59/97/492905997.db2.gz HRSPFULUBGUMII-DTWKUNHWSA-N -2 0 354.432 0.765 20 0 FCADRL COCC[C@H](C)S(=O)(=O)N[C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684561796 493419264 /nfs/dbraw/zinc/41/92/64/493419264.db2.gz MHKCCFAUPVBILI-SMDDNHRTSA-N -2 0 373.427 0.654 20 0 FCADRL O=C([O-])Cc1ccc(C[C@@H](NS(=O)(=O)Cc2ccon2)C(=O)[O-])cc1 ZINC000684562173 493419291 /nfs/dbraw/zinc/41/92/91/493419291.db2.gz PCHBSPMQQSXGNO-CYBMUJFWSA-N -2 0 368.367 0.417 20 0 FCADRL Cn1nccc1S(=O)(=O)N[C@@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684561788 493419356 /nfs/dbraw/zinc/41/93/56/493419356.db2.gz MFBNHRAMKMCFMM-LBPRGKRZSA-N -2 0 367.383 0.021 20 0 FCADRL Cc1n[nH]c(C(=O)NC[C@]2(C)CCN(C(=O)c3n[nH]c(C)c3[O-])C2)c1[O-] ZINC000669620406 493514829 /nfs/dbraw/zinc/51/48/29/493514829.db2.gz JLXYBTSBYTZNFX-INIZCTEOSA-N -2 0 362.390 0.443 20 0 FCADRL COc1cc(F)ccc1S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000663289249 493582063 /nfs/dbraw/zinc/58/20/63/493582063.db2.gz GYKBBXPXURBUIF-CQSZACIVSA-N -2 0 361.347 0.774 20 0 FCADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]NC(=O)c2ccccc2)cc1 ZINC000047906656 674350334 /nfs/dbraw/zinc/35/03/34/674350334.db2.gz JMEIWXLIZVXTSE-UHFFFAOYSA-N -2 0 350.352 0.773 20 0 FCADRL CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)c1C ZINC000282209060 546871508 /nfs/dbraw/zinc/87/15/08/546871508.db2.gz QNMSTZJXUKGDPV-UHFFFAOYSA-N -2 0 363.403 0.590 20 0 FCADRL CCc1nc2cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])ccc2o1 ZINC000274938320 547394977 /nfs/dbraw/zinc/39/49/77/547394977.db2.gz FVMZHCKKMAAIJO-QMMMGPOBSA-N -2 0 356.356 0.844 20 0 FCADRL O=C([O-])CSCC(=O)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000740486884 597106744 /nfs/dbraw/zinc/10/67/44/597106744.db2.gz OSDFUZXXGHMCPI-UHFFFAOYSA-N -2 0 369.218 0.467 20 0 FCADRL O=C([O-])CSCC(=O)[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000819539754 597492692 /nfs/dbraw/zinc/49/26/92/597492692.db2.gz ORNDCZFRFDUKHE-UHFFFAOYSA-N -2 0 369.424 0.554 20 0 FCADRL CC(C)(C)c1noc(OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)n1 ZINC000735654581 598434087 /nfs/dbraw/zinc/43/40/87/598434087.db2.gz HGPXILUTAKLMAM-UHFFFAOYSA-N -2 0 357.334 0.875 20 0 FCADRL CCOC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000737146386 599727878 /nfs/dbraw/zinc/72/78/78/599727878.db2.gz LPYCIMGOEYLTPK-VXGBXAGGSA-N -2 0 370.383 0.458 20 0 FCADRL CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1 ZINC000737230990 599738991 /nfs/dbraw/zinc/73/89/91/599738991.db2.gz XMQNTBWPEWQOPA-UHFFFAOYSA-N -2 0 373.412 0.562 20 0 FCADRL COC(=O)CSCCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000737628833 599797040 /nfs/dbraw/zinc/79/70/40/599797040.db2.gz SRVSSGKXVMKDDR-UHFFFAOYSA-N -2 0 367.426 0.548 20 0 FCADRL CCCn1c(=O)[nH]c2cc(S(=O)(=O)[N-]C(=O)CCNC(=O)[O-])ccc21 ZINC000737050604 599797104 /nfs/dbraw/zinc/79/71/04/599797104.db2.gz LNKGVCQFILBYOH-UHFFFAOYSA-N -2 0 370.387 0.615 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-])s1 ZINC000737700561 599798699 /nfs/dbraw/zinc/79/86/99/599798699.db2.gz OSETXFJZXOUSGK-UHFFFAOYSA-N -2 0 350.374 0.387 20 0 FCADRL CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000736134630 600162033 /nfs/dbraw/zinc/16/20/33/600162033.db2.gz KBRTUFSGLSLATP-VIFPVBQESA-N -2 0 360.413 0.510 20 0 FCADRL CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000736134110 600162725 /nfs/dbraw/zinc/16/27/25/600162725.db2.gz FMNJJYNXEANSPP-GFCCVEGCSA-N -2 0 354.384 0.448 20 0 FCADRL CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000736134606 600162870 /nfs/dbraw/zinc/16/28/70/600162870.db2.gz JDUMDGIDWXHZJI-SECBINFHSA-N -2 0 360.413 0.510 20 0 FCADRL CCOc1c(Cl)cc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1OC ZINC000737179963 600179231 /nfs/dbraw/zinc/17/92/31/600179231.db2.gz YHSFXKPOTGGPIV-UHFFFAOYSA-N -2 0 351.764 0.892 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(NS(C)(=O)=O)c2)c1C(=O)[O-] ZINC000738828241 600232617 /nfs/dbraw/zinc/23/26/17/600232617.db2.gz UTESXAHWEPHWMP-UHFFFAOYSA-N -2 0 374.400 0.589 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)c1C(=O)[O-] ZINC000738829940 600235296 /nfs/dbraw/zinc/23/52/96/600235296.db2.gz ULJZIKBOLWOSNC-UHFFFAOYSA-N -2 0 373.412 0.762 20 0 FCADRL CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)N1CCCC1=O ZINC000736346907 600241364 /nfs/dbraw/zinc/24/13/64/600241364.db2.gz CCAZRVRJJUKLRT-GFCCVEGCSA-N -2 0 374.440 0.898 20 0 FCADRL CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)[nH]c2C(=O)[O-])cc1 ZINC000326023194 600254532 /nfs/dbraw/zinc/25/45/32/600254532.db2.gz QGBRQKMWUSMNLM-UHFFFAOYSA-N -2 0 373.412 0.730 20 0 FCADRL COC(=O)c1cccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])c1O ZINC000737712501 600391822 /nfs/dbraw/zinc/39/18/22/600391822.db2.gz HJEQIECGNSPIAL-UHFFFAOYSA-N -2 0 355.328 0.709 20 0 FCADRL CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736429436 600420259 /nfs/dbraw/zinc/42/02/59/600420259.db2.gz WMMJSOZNMZHDMA-UHFFFAOYSA-N -2 0 362.429 0.804 20 0 FCADRL CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736429419 600421448 /nfs/dbraw/zinc/42/14/48/600421448.db2.gz WGUQVMNABFGESS-UHFFFAOYSA-N -2 0 370.427 0.883 20 0 FCADRL CCn1c2ccccc2n(CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1=O ZINC000737293388 600460280 /nfs/dbraw/zinc/46/02/80/600460280.db2.gz AIUNJLAADISYMQ-UHFFFAOYSA-N -2 0 369.399 0.134 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCCn1c(=O)oc2ccccc21 ZINC000739691667 600460631 /nfs/dbraw/zinc/46/06/31/600460631.db2.gz JMAXKIXTUJRIRK-UHFFFAOYSA-N -2 0 370.383 0.686 20 0 FCADRL CSc1ncc(Cl)c(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])n1 ZINC000738216139 600461229 /nfs/dbraw/zinc/46/12/29/600461229.db2.gz UFVXBMABRRVIER-UHFFFAOYSA-N -2 0 353.809 0.776 20 0 FCADRL Cc1ccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC2=O)cc1 ZINC000738614403 600461599 /nfs/dbraw/zinc/46/15/99/600461599.db2.gz LYFTYTARXYKRGO-LBPRGKRZSA-N -2 0 368.411 0.659 20 0 FCADRL Cc1cccc([C@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])NC(N)=O)c1 ZINC000738694003 600461664 /nfs/dbraw/zinc/46/16/64/600461664.db2.gz WTFSGBQWIRACIM-LBPRGKRZSA-N -2 0 371.415 0.405 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000739696285 600462042 /nfs/dbraw/zinc/46/20/42/600462042.db2.gz PMPVRWGBVHUVCA-UHFFFAOYSA-N -2 0 372.790 0.845 20 0 FCADRL COC(=O)COc1cccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1 ZINC000737629225 600462584 /nfs/dbraw/zinc/46/25/84/600462584.db2.gz YKFGOGOKEBPSAS-UHFFFAOYSA-N -2 0 359.356 0.163 20 0 FCADRL CC(C)CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C(C)C ZINC000736396076 600462831 /nfs/dbraw/zinc/46/28/31/600462831.db2.gz LXLLDYNYYMRJCL-ZDUSSCGKSA-N -2 0 350.437 0.484 20 0 FCADRL Cc1ccc(S(C)(=O)=O)cc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000738660663 600463459 /nfs/dbraw/zinc/46/34/59/600463459.db2.gz SPELEHOWVYSJMU-UHFFFAOYSA-N -2 0 363.413 0.323 20 0 FCADRL CC(=O)N1c2ccccc2C[C@H]1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736143447 600463761 /nfs/dbraw/zinc/46/37/61/600463761.db2.gz ZXLLVQDDIJVGRZ-ZDUSSCGKSA-N -2 0 354.384 0.275 20 0 FCADRL CCCc1c(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])[nH]c(C)c1C(=O)OC ZINC000737042934 600464217 /nfs/dbraw/zinc/46/42/17/600464217.db2.gz FXAGTRYEODVQRQ-UHFFFAOYSA-N -2 0 374.415 0.987 20 0 FCADRL COc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc(OC)c1OC ZINC000737849884 600465588 /nfs/dbraw/zinc/46/55/88/600465588.db2.gz WVZKGNCNXOOOOU-UHFFFAOYSA-N -2 0 361.372 0.637 20 0 FCADRL Cc1ncc(/C=C/C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)s1 ZINC000738883493 600520505 /nfs/dbraw/zinc/52/05/05/600520505.db2.gz LDMKELAYHUWKKT-NSCUHMNNSA-N -2 0 359.429 0.622 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1 ZINC000324563813 600528930 /nfs/dbraw/zinc/52/89/30/600528930.db2.gz QXLUTJGVJZZWOP-UHFFFAOYSA-N -2 0 353.356 0.945 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC000737948128 600529767 /nfs/dbraw/zinc/52/97/67/600529767.db2.gz LSPPOXACVANFJF-UHFFFAOYSA-N -3 0 355.328 0.475 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000739695091 674488115 /nfs/dbraw/zinc/48/81/15/674488115.db2.gz DKHGTJPAVMDOLW-LLVKDONJSA-N -2 0 360.432 0.478 20 0 FCADRL Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000738974195 600630801 /nfs/dbraw/zinc/63/08/01/600630801.db2.gz BKUGTVOHWJIVGD-UHFFFAOYSA-N -2 0 363.355 0.956 20 0 FCADRL COCCN(CCC(=O)[O-])C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000737800815 600670346 /nfs/dbraw/zinc/67/03/46/600670346.db2.gz ORYDTZHVYCCTAS-UHFFFAOYSA-N -2 0 350.331 0.308 20 0 FCADRL COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000326708313 600673605 /nfs/dbraw/zinc/67/36/05/600673605.db2.gz YEDOFERHTUOJGR-UHFFFAOYSA-N -2 0 368.371 0.736 20 0 FCADRL COc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1NC(C)=O ZINC000738041500 600674252 /nfs/dbraw/zinc/67/42/52/600674252.db2.gz KSFVCXHLMFHODR-UHFFFAOYSA-N -2 0 368.371 0.736 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccn(Cc3ccccn3)n2)cn1 ZINC000739911618 600674820 /nfs/dbraw/zinc/67/48/20/600674820.db2.gz GRJRPRFNLIYEDA-UHFFFAOYSA-N -2 0 362.371 0.408 20 0 FCADRL COC(=O)Nc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000324769143 600675260 /nfs/dbraw/zinc/67/52/60/600675260.db2.gz BWNJWYMGQWNRLF-UHFFFAOYSA-N -2 0 354.344 0.947 20 0 FCADRL COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000831198345 600678264 /nfs/dbraw/zinc/67/82/64/600678264.db2.gz HQZWMEHWTFNYMB-UHFFFAOYSA-N -2 0 368.371 0.971 20 0 FCADRL NS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000319679747 600797658 /nfs/dbraw/zinc/79/76/58/600797658.db2.gz VHEVPJWZJGNBDH-UHFFFAOYSA-N -2 0 360.373 0.129 20 0 FCADRL O=C([O-])c1c2c(sc1NC(=O)C(=O)NCc1nnn[n-]1)CCCCC2 ZINC000833147457 600857903 /nfs/dbraw/zinc/85/79/03/600857903.db2.gz FEBTUNLXJDSNSK-UHFFFAOYSA-N -2 0 364.387 0.483 20 0 FCADRL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C(=O)[O-])c1ccccn1 ZINC000833004789 600916299 /nfs/dbraw/zinc/91/62/99/600916299.db2.gz ZZFLJTBXLKYOKB-INIZCTEOSA-N -2 0 355.354 0.931 20 0 FCADRL COC(=O)c1ccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1C(=O)[O-] ZINC000831398264 600947560 /nfs/dbraw/zinc/94/75/60/600947560.db2.gz BJOSXNZCZCSUPR-UHFFFAOYSA-N -2 0 371.309 0.195 20 0 FCADRL COC(=O)c1sc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)nc1C ZINC000831480232 600976944 /nfs/dbraw/zinc/97/69/44/600976944.db2.gz ZVLSQTLZUJOZLW-UHFFFAOYSA-N -2 0 360.373 0.320 20 0 FCADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)o1 ZINC000832936165 600981441 /nfs/dbraw/zinc/98/14/41/600981441.db2.gz ZWHZYQGDFJMWLO-UHFFFAOYSA-N -2 0 365.371 0.915 20 0 FCADRL Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c1 ZINC000833062944 600983116 /nfs/dbraw/zinc/98/31/16/600983116.db2.gz YFKNKEVKATWEQC-UHFFFAOYSA-N -2 0 360.355 0.771 20 0 FCADRL COC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])n1 ZINC000831192653 600985774 /nfs/dbraw/zinc/98/57/74/600985774.db2.gz QLYVULSCJLBYIT-UHFFFAOYSA-N -2 0 374.762 0.604 20 0 FCADRL CCOCCOc1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1 ZINC000830017315 600986468 /nfs/dbraw/zinc/98/64/68/600986468.db2.gz MVNLBBNPGLSECR-UHFFFAOYSA-N -2 0 370.387 0.579 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)n1 ZINC000833276403 600987197 /nfs/dbraw/zinc/98/71/97/600987197.db2.gz ANTPIEBVWKHZEL-UHFFFAOYSA-N -2 0 352.159 0.865 20 0 FCADRL Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)nc2n1 ZINC000738201692 601200744 /nfs/dbraw/zinc/20/07/44/601200744.db2.gz VCWCWDYDDZKZNP-UHFFFAOYSA-N -2 0 367.318 0.364 20 0 FCADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ncc(C(N)=O)s1 ZINC000831949810 601200836 /nfs/dbraw/zinc/20/08/36/601200836.db2.gz HAIJXCSIATTXEV-UHFFFAOYSA-N -2 0 363.398 0.811 20 0 FCADRL CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1 ZINC000737951390 601328977 /nfs/dbraw/zinc/32/89/77/601328977.db2.gz HNZNTQJJZGAIHL-UHFFFAOYSA-N -2 0 370.362 0.609 20 0 FCADRL COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c1 ZINC000831247792 601361623 /nfs/dbraw/zinc/36/16/23/601361623.db2.gz FYLGEIGWGQCBNY-UHFFFAOYSA-N -2 0 368.371 0.567 20 0 FCADRL O=C([O-])c1ccc(OS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)cc1 ZINC000833323847 601505208 /nfs/dbraw/zinc/50/52/08/601505208.db2.gz LQCPEHHFFGVPLH-UHFFFAOYSA-N -2 0 363.307 0.902 20 0 FCADRL CC(C)C[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])N1CCCCC1=O ZINC000826755067 601598899 /nfs/dbraw/zinc/59/88/99/601598899.db2.gz XEFOHBPSLANTCQ-LBPRGKRZSA-N -2 0 362.448 0.724 20 0 FCADRL NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])c1 ZINC000833090012 601603185 /nfs/dbraw/zinc/60/31/85/601603185.db2.gz LWQWBXKSRJOOFH-UHFFFAOYSA-N -2 0 363.398 0.290 20 0 FCADRL COC(=O)Cc1csc([N-]S(=O)(=O)c2csnc2C(=O)[O-])n1 ZINC000831192770 601767394 /nfs/dbraw/zinc/76/73/94/601767394.db2.gz UCVBQGYKPUSNLH-UHFFFAOYSA-N -2 0 363.398 0.814 20 0 FCADRL Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000833019544 601835899 /nfs/dbraw/zinc/83/58/99/601835899.db2.gz OGCJIXOQFGBPBP-UHFFFAOYSA-N -2 0 366.384 0.926 20 0 FCADRL COc1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)ccc1F ZINC000831877584 602034383 /nfs/dbraw/zinc/03/43/83/602034383.db2.gz CKVIZWXHZJCJIB-UHFFFAOYSA-N -2 0 360.363 0.606 20 0 FCADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000827304435 602186679 /nfs/dbraw/zinc/18/66/79/602186679.db2.gz UXYQFHQJBAJQQX-LURJTMIESA-N -2 0 351.178 0.760 20 0 FCADRL Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000832846995 604290538 /nfs/dbraw/zinc/29/05/38/604290538.db2.gz CIVGUQHEFCCZHY-UHFFFAOYSA-N -2 0 359.389 0.805 20 0 FCADRL CC(C)[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000736377247 604376019 /nfs/dbraw/zinc/37/60/19/604376019.db2.gz YJMUEFPXZZMYLX-LBPRGKRZSA-N -2 0 369.399 0.070 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCCOc1ccc2c(c1)OCO2 ZINC000833227733 604410739 /nfs/dbraw/zinc/41/07/39/604410739.db2.gz BHHUZEVJRAZWSV-UHFFFAOYSA-N -2 0 373.383 0.885 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)CNC(=O)c2ccccc2)c1 ZINC000833109602 604884342 /nfs/dbraw/zinc/88/43/42/604884342.db2.gz JYEQVEOWBFSAFZ-UHFFFAOYSA-N -2 0 362.363 0.620 20 0 FCADRL O=C([O-])[C@H](O)C1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CC1 ZINC000833770907 604979562 /nfs/dbraw/zinc/97/95/62/604979562.db2.gz QTTCSWFPZLEZGJ-CQSZACIVSA-N -2 0 353.400 0.166 20 0 FCADRL C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cncc(C(=O)[O-])c2)C1=O ZINC000833578721 605028919 /nfs/dbraw/zinc/02/89/19/605028919.db2.gz RQZXVSSARUBRLA-KRWDZBQOSA-N -2 0 354.322 0.892 20 0 FCADRL CS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833736999 605052552 /nfs/dbraw/zinc/05/25/52/605052552.db2.gz KIAOUCNPEKMBRA-UHFFFAOYSA-N -2 0 356.381 0.984 20 0 FCADRL CCOC(=O)Cc1nnc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)s1 ZINC000833658876 605053075 /nfs/dbraw/zinc/05/30/75/605053075.db2.gz MUHKAWIJEZTVPY-UHFFFAOYSA-N -2 0 360.373 0.471 20 0 FCADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1C(=O)[O-] ZINC000833744923 605169430 /nfs/dbraw/zinc/16/94/30/605169430.db2.gz VLDQBXHTDCVPQT-UHFFFAOYSA-N -3 0 357.319 0.914 20 0 FCADRL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000833701004 605231684 /nfs/dbraw/zinc/23/16/84/605231684.db2.gz ZWHZEYXUCVWWIC-RYUDHWBXSA-N -2 0 368.411 0.742 20 0 FCADRL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)OCc1n[nH]c(=O)[n-]1 ZINC000826232645 608439202 /nfs/dbraw/zinc/43/92/02/608439202.db2.gz BIMLWYBYBXXILD-UHFFFAOYSA-N -2 0 360.334 0.084 20 0 FCADRL O=C(Nc1nnc([N-]S(=O)(=O)c2ccccc2)s1)c1cc(=O)[nH][n-]1 ZINC000732273347 666864158 /nfs/dbraw/zinc/86/41/58/666864158.db2.gz RDABVFKNPHOEAX-UHFFFAOYSA-N -2 0 366.384 0.153 20 0 FCADRL O=C(NCc1nnn[n-]1)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC000732765732 666899087 /nfs/dbraw/zinc/89/90/87/666899087.db2.gz IYVYWCRFHBYAOI-UHFFFAOYSA-N -2 0 350.282 0.391 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)N3CCCC3)cc2[n-]c1=S ZINC000919671101 667193760 /nfs/dbraw/zinc/19/37/60/667193760.db2.gz SOPFYZDXFWRLCA-UHFFFAOYSA-N -2 0 368.440 0.293 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc2c1OCCO2 ZINC000919954102 667208720 /nfs/dbraw/zinc/20/87/20/667208720.db2.gz DAEJZKUCCYLXBT-JTQLQIEISA-N -2 0 357.340 0.394 20 0 FCADRL NC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)n1 ZINC000756935532 667691866 /nfs/dbraw/zinc/69/18/66/667691866.db2.gz FJMCFACZASIJIN-UHFFFAOYSA-N -2 0 360.298 0.146 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)cn1C ZINC000839020587 667972285 /nfs/dbraw/zinc/97/22/85/667972285.db2.gz OOXNYPKQYUXWCN-VIFPVBQESA-N -2 0 370.353 0.237 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)NCCc3n[n-]c(=S)o3)cc2[n-]c1=S ZINC000776537511 668269160 /nfs/dbraw/zinc/26/91/60/668269160.db2.gz PLHVPQREWPKEGK-UHFFFAOYSA-N -2 0 363.424 0.866 20 0 FCADRL C[C@@](CNS(=O)(=O)c1cccc(-c2nnco2)c1)(CC(=O)[O-])C(=O)[O-] ZINC000776585794 668274784 /nfs/dbraw/zinc/27/47/84/668274784.db2.gz ZGXRPJHPIOVCIC-AWEZNQCLSA-N -2 0 369.355 0.581 20 0 FCADRL C[C@](CNS(=O)(=O)c1ccc2c(c1)C(=O)OC2)(CC(=O)[O-])C(=O)[O-] ZINC000776585024 668274862 /nfs/dbraw/zinc/27/48/62/668274862.db2.gz MWMORSRSBISACY-CQSZACIVSA-N -2 0 357.340 0.201 20 0 FCADRL O=C([O-])CCC[C@@H](NS(=O)(=O)c1cccc(-c2nnco2)c1)C(=O)[O-] ZINC000788439812 668828716 /nfs/dbraw/zinc/82/87/16/668828716.db2.gz NPOPZZGMXINJNL-LLVKDONJSA-N -2 0 369.355 0.723 20 0 FCADRL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)n1 ZINC000790004511 668869195 /nfs/dbraw/zinc/86/91/95/668869195.db2.gz BLAUHZRNSFAQSU-UHFFFAOYSA-N -2 0 357.319 0.845 20 0 FCADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)c1 ZINC000820551408 669102739 /nfs/dbraw/zinc/10/27/39/669102739.db2.gz WOPKEJVBGSBFKA-WHEQGISXSA-N -2 0 361.441 0.428 20 0 FCADRL C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000827436889 669567958 /nfs/dbraw/zinc/56/79/58/669567958.db2.gz KMCDLGZFUNBWIN-SNVBAGLBSA-N -2 0 366.436 0.800 20 0 FCADRL O=C([O-])NCC(=O)[N-]S(=O)(=O)Cc1ccc(Br)cc1 ZINC000833279480 669932758 /nfs/dbraw/zinc/93/27/58/669932758.db2.gz UQSLKZBNLGEHTP-UHFFFAOYSA-N -2 0 351.178 0.663 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000816011643 669934947 /nfs/dbraw/zinc/93/49/47/669934947.db2.gz VMTYGNMTXQOHOE-BDAKNGLRSA-N -2 0 360.354 0.315 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)c(Cl)n1 ZINC000844791789 670943929 /nfs/dbraw/zinc/94/39/29/670943929.db2.gz CJCZFCMTAGLRIL-ZDUSSCGKSA-N -2 0 362.791 0.984 20 0 FCADRL Cc1nn(C)cc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851702223 671461024 /nfs/dbraw/zinc/46/10/24/671461024.db2.gz KYXHIXSUPNQDJH-ZJUUUORDSA-N -2 0 362.308 0.465 20 0 FCADRL Cc1nn(C)cc1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851702222 671461136 /nfs/dbraw/zinc/46/11/36/671461136.db2.gz KYXHIXSUPNQDJH-VHSXEESVSA-N -2 0 362.308 0.465 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccncc1F ZINC000851704465 671462432 /nfs/dbraw/zinc/46/24/32/671462432.db2.gz WWOLAGXVQFAGMU-UWVGGRQHSA-N -2 0 363.267 0.957 20 0 FCADRL O=C([O-])C[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000853061877 671535977 /nfs/dbraw/zinc/53/59/77/671535977.db2.gz HDNMEZZITYCNRH-GFCCVEGCSA-N -2 0 369.395 0.738 20 0 FCADRL O=C([O-])CCc1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000013027362 671859282 /nfs/dbraw/zinc/85/92/82/671859282.db2.gz RPAJPNRBZBNDSH-NSHDSACASA-N -3 0 359.356 0.300 20 0 FCADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000863952156 672163539 /nfs/dbraw/zinc/16/35/39/672163539.db2.gz LZHDEDKRWBBCCW-HNNXBMFYSA-N -2 0 355.368 0.764 20 0 FCADRL CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)s1 ZINC000863954367 672164925 /nfs/dbraw/zinc/16/49/25/672164925.db2.gz XAFMAGKQJVVOHG-UHFFFAOYSA-N -2 0 360.413 0.444 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1C(N)=O ZINC000863954854 672165249 /nfs/dbraw/zinc/16/52/49/672165249.db2.gz OWHZCYKVCDLWRQ-LLVKDONJSA-N -2 0 356.400 0.646 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1C(N)=O ZINC000863954655 672165285 /nfs/dbraw/zinc/16/52/85/672165285.db2.gz IMJMWASODKFXBH-ZDUSSCGKSA-N -2 0 368.411 0.790 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000863955392 672165637 /nfs/dbraw/zinc/16/56/37/672165637.db2.gz KMLVSHGVRWLAMA-GFCCVEGCSA-N -2 0 356.400 0.550 20 0 FCADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000863956054 672165889 /nfs/dbraw/zinc/16/58/89/672165889.db2.gz IATDEGQAACNGML-HNNXBMFYSA-N -2 0 357.432 0.851 20 0 FCADRL CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)s1 ZINC000863957882 672166813 /nfs/dbraw/zinc/16/68/13/672166813.db2.gz WELCOVYLVWCQAD-ZCFIWIBFSA-N -2 0 364.405 0.048 20 0 FCADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000863959334 672167450 /nfs/dbraw/zinc/16/74/50/672167450.db2.gz AQEOBEZRWAHFDV-NSHDSACASA-N -2 0 368.367 0.074 20 0 FCADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000863959286 672167462 /nfs/dbraw/zinc/16/74/62/672167462.db2.gz ZRNCQUOHHPHREP-LBPRGKRZSA-N -2 0 369.399 0.039 20 0 FCADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000863962213 672169228 /nfs/dbraw/zinc/16/92/28/672169228.db2.gz ZKNBQRNXXOAVNU-ZDUSSCGKSA-N -2 0 355.397 0.997 20 0 FCADRL Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)cc12 ZINC000863962673 672169548 /nfs/dbraw/zinc/16/95/48/672169548.db2.gz SYPLFNPYPPJQFP-LLVKDONJSA-N -2 0 368.415 0.829 20 0 FCADRL COC(=O)c1oc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1C ZINC000863965241 672170690 /nfs/dbraw/zinc/17/06/90/672170690.db2.gz VTOHMDIIAWFZCT-SECBINFHSA-N -2 0 361.372 0.926 20 0 FCADRL Cn1[nH]cnc1=NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193253887 1207865680 /nfs/dbraw/zinc/86/56/80/1207865680.db2.gz CREDMKVTAMOGLS-UHFFFAOYSA-N -2 0 373.394 0.996 20 0 FCADRL O=C(NCCCn1ccnc1)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000042898307 1211910774 /nfs/dbraw/zinc/91/07/74/1211910774.db2.gz ISUXGBHYRJBYOF-UHFFFAOYSA-N -2 0 369.385 0.809 20 0 FCADRL O=C(Cn1nc(C(=O)[N-]OC2CCCC2)ccc1=O)[N-]OC1CCCC1 ZINC000779050767 1211963725 /nfs/dbraw/zinc/96/37/25/1211963725.db2.gz QJBPONMGFXDETR-UHFFFAOYSA-N -2 0 364.402 0.838 20 0 FCADRL CCOC(=O)[C@H](OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1ccc(F)cc1 ZINC001223097655 1225681753 /nfs/dbraw/zinc/68/17/53/1225681753.db2.gz SEZSCTUTBAPJQE-WCFLWFBJSA-N -2 0 372.301 0.510 20 0 FCADRL Cc1ccc2oc(=O)cc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2c1 ZINC001223546429 1225715228 /nfs/dbraw/zinc/71/52/28/1225715228.db2.gz GCDPHNRNOBQMPM-IAQYHMDHSA-N -2 0 364.306 0.681 20 0 FCADRL CC(C)C(=O)Oc1cccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001223894924 1225744017 /nfs/dbraw/zinc/74/40/17/1225744017.db2.gz DTWUWFPJJLGUKN-TZMCWYRMSA-N -2 0 368.338 0.828 20 0 FCADRL Cc1c(C)c2ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc2oc1=O ZINC001226475382 1225844697 /nfs/dbraw/zinc/84/46/97/1225844697.db2.gz KXTXJCJEBKOXRG-FZMZJTMJSA-N -2 0 364.306 0.852 20 0 FCADRL COC(=O)c1cc(C(C)=O)ccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227170661 1225865338 /nfs/dbraw/zinc/86/53/38/1225865338.db2.gz ODXMNWPCRBYGFL-MFKMUULPSA-N -2 0 368.294 0.118 20 0 FCADRL COc1cc2ccc(=O)oc2cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227565121 1225878872 /nfs/dbraw/zinc/87/88/72/1225878872.db2.gz WLANJYGVVFGUMV-RMLUDKJBSA-N -2 0 366.278 0.243 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(-n2ccccc2=O)cc1)[C@@H](O)C(=O)[O-] ZINC001229734620 1226031408 /nfs/dbraw/zinc/03/14/08/1226031408.db2.gz YZSVNBWDBFVTSD-IUODEOHRSA-N -2 0 361.306 0.279 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cccc(-c2cccc(=O)[nH]2)n1)[C@@H](O)C(=O)[O-] ZINC001230632082 1226084704 /nfs/dbraw/zinc/08/47/04/1226084704.db2.gz APHABNGALBKYHI-RMLUDKJBSA-N -2 0 362.294 0.291 20 0 FCADRL COc1cc2[nH]nc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2cc1OC ZINC001233619306 1259552865 /nfs/dbraw/zinc/55/28/65/1259552865.db2.gz VVLYFADRANEMQG-JMCQJSRRSA-N -2 0 368.298 0.022 20 0 FCADRL NC(=O)[C@@H]1CCCN1c1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ncn1 ZINC001242160231 1259633090 /nfs/dbraw/zinc/63/30/90/1259633090.db2.gz HKBUVOZCSIIIOR-ZDUSSCGKSA-N -2 0 356.338 0.994 20 0 FCADRL O=C([O-])[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@@H]1c1ccccc1 ZINC001549042453 1267793948 /nfs/dbraw/zinc/79/39/48/1267793948.db2.gz OHFWDGGDQFUWFS-KGLIPLIRSA-N -2 0 367.365 0.398 20 0 FCADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)C1 ZINC001549134361 1267818957 /nfs/dbraw/zinc/81/89/57/1267818957.db2.gz PAZYWZUOZMXMKS-UTUOFQBUSA-N -2 0 352.387 0.411 20 0 FCADRL CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001573778697 1270878052 /nfs/dbraw/zinc/87/80/52/1270878052.db2.gz DZOOKLVTHUSKIW-JTQLQIEISA-N -2 0 368.394 0.274 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cnnn1-c1cccc(F)c1 ZINC001603187566 1287325246 /nfs/dbraw/zinc/32/52/46/1287325246.db2.gz IRWAYDHIYBAUDJ-BDAKNGLRSA-N -2 0 370.362 0.575 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)Cc1cccc(F)c1 ZINC001603187871 1287324942 /nfs/dbraw/zinc/32/49/42/1287324942.db2.gz KANUFTCFHAALRN-ZJUUUORDSA-N -2 0 374.390 0.040 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC001603189695 1287327088 /nfs/dbraw/zinc/32/70/88/1287327088.db2.gz SLUZEMCYFYFIKY-RNJXMRFFSA-N -2 0 374.337 0.095 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H](c1ccccc1F)N1CCOCC1 ZINC001603201822 1287329744 /nfs/dbraw/zinc/32/97/44/1287329744.db2.gz MIWFSUKDEZCUHV-GWCFXTLKSA-N -2 0 374.390 0.118 20 0 FCADRL C[C@@H](C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1)C(=O)[O-] ZINC001603465125 1287379171 /nfs/dbraw/zinc/37/91/71/1287379171.db2.gz DNBKVRZFCLOSKB-UWVGGRQHSA-N -2 0 369.403 0.971 20 0 FCADRL CC(C)(CCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1)C(=O)[O-] ZINC001603599346 1287434311 /nfs/dbraw/zinc/43/43/11/1287434311.db2.gz ROKYGCKLBKOSIN-UHFFFAOYSA-N -2 0 352.343 0.706 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)OCCO2)C(=O)[O-] ZINC001603661149 1287460945 /nfs/dbraw/zinc/46/09/45/1287460945.db2.gz YKDZRTIXNQCSFE-UHFFFAOYSA-N -2 0 357.384 0.557 20 0 FCADRL O=C(NCC1CC(Nc2ccc(-c3nn[nH]n3)nn2)C1)c1ncccc1O ZINC001582423772 1281490520 /nfs/dbraw/zinc/49/05/20/1281490520.db2.gz RUWMEGULNFFODK-UHFFFAOYSA-N -2 0 367.373 0.378 20 0 FCADRL CC(C)CN1N=C(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCC1=O ZINC001603817202 1287508494 /nfs/dbraw/zinc/50/84/94/1287508494.db2.gz JSTDRHVGXDYOHG-UHFFFAOYSA-N -2 0 371.371 0.417 20 0 FCADRL O=C(c1ncccc1O)N1CC[C@@H](Nc2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001582751755 1281976154 /nfs/dbraw/zinc/97/61/54/1281976154.db2.gz VFQULOLDWKRTPV-SNVBAGLBSA-N -2 0 370.348 0.828 20 0 FCADRL O=C(c1ncccc1O)N1CC[C@H](Nc2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001582751754 1281976231 /nfs/dbraw/zinc/97/62/31/1281976231.db2.gz VFQULOLDWKRTPV-JTQLQIEISA-N -2 0 370.348 0.828 20 0 FCADRL CC(C)(C[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C(=O)[O-] ZINC001589288020 1282832103 /nfs/dbraw/zinc/83/21/03/1282832103.db2.gz OEAUXPCGNMGNJW-UHFFFAOYSA-N -2 0 361.330 0.534 20 0 FCADRL C[C@]1(C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CC1(F)F ZINC001590070789 1283201377 /nfs/dbraw/zinc/20/13/77/1283201377.db2.gz DDUVDSCYLVKZRN-GFCCVEGCSA-N -2 0 351.273 0.704 20 0 FCADRL C[C@H]1C[C@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCC1=O ZINC001590184624 1283292649 /nfs/dbraw/zinc/29/26/49/1283292649.db2.gz JFUOEGTZFQFRKA-DTWKUNHWSA-N -2 0 371.357 0.664 20 0 FCADRL C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC001604497201 1287649213 /nfs/dbraw/zinc/64/92/13/1287649213.db2.gz BJBRRGIOHGRLIL-GOSISDBHSA-N -2 0 360.366 0.593 20 0 FCADRL C[C@]12CCC(=O)N1[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)CS2 ZINC001604605747 1287680811 /nfs/dbraw/zinc/68/08/11/1287680811.db2.gz LPTKWWISLJPWCK-SDBXPKJASA-N -2 0 374.396 0.237 20 0 FCADRL CSc1[nH]c(=O)c(C(=O)[N-]OCc2ccccn2)cc1-c1nnn[n-]1 ZINC001591706097 1284848441 /nfs/dbraw/zinc/84/84/41/1284848441.db2.gz YUEYZPZCYRBIRU-UHFFFAOYSA-N -2 0 359.371 0.946 20 0 FCADRL O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cc(F)c(F)c([O-])c1F ZINC001593111808 1286010784 /nfs/dbraw/zinc/01/07/84/1286010784.db2.gz FUMBNHDJRBYQCD-UHFFFAOYSA-N -2 0 354.252 0.011 20 0 FCADRL O=C([O-])CC1(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC001593276504 1286059549 /nfs/dbraw/zinc/05/95/49/1286059549.db2.gz LYDDJMTUQQZSAO-UHFFFAOYSA-N -2 0 373.341 0.678 20 0 FCADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)cc1 ZINC001593279456 1286063279 /nfs/dbraw/zinc/06/32/79/1286063279.db2.gz LXFBPLQCRZSIDH-UHFFFAOYSA-N -2 0 360.355 0.690 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1CC(=O)[O-] ZINC001600055629 1286433906 /nfs/dbraw/zinc/43/39/06/1286433906.db2.gz ZBEGFMBGJIXDEN-UHFFFAOYSA-N -3 0 357.319 0.914 20 0 FCADRL Cc1cc(=O)n2[n-]c(NS(=O)(=O)Cc3cccc(C(=O)[O-])c3)nc2n1 ZINC001600065949 1286436137 /nfs/dbraw/zinc/43/61/37/1286436137.db2.gz SBQPAZINGUZVNT-UHFFFAOYSA-N -2 0 363.355 0.366 20 0 FCADRL Cc1cc(=O)oc2cc(OCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])ccc12 ZINC001600067064 1286436284 /nfs/dbraw/zinc/43/62/84/1286436284.db2.gz REVAWFPGRSBZRN-VIFPVBQESA-N -2 0 369.351 0.399 20 0 FCADRL Cc1cc(COCC(=O)[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)on1 ZINC001600215023 1286453408 /nfs/dbraw/zinc/45/34/08/1286453408.db2.gz MHIGWDJCJVQAFA-UHFFFAOYSA-N -2 0 358.328 0.604 20 0 FCADRL Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3ccc(C(=O)[O-])o3)C2)n(C)n1 ZINC001600239632 1286457821 /nfs/dbraw/zinc/45/78/21/1286457821.db2.gz AMAAMMBBXXBHNS-LLVKDONJSA-N -2 0 368.415 0.967 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CSCCS2)oc1C(=O)[O-] ZINC001600297158 1286471835 /nfs/dbraw/zinc/47/18/35/1286471835.db2.gz KKVGJJLXUGHELR-ZETCQYMHSA-N -2 0 351.427 0.940 20 0 FCADRL Cc1cc(S(C)(=O)=O)cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c1C ZINC001600302963 1286474055 /nfs/dbraw/zinc/47/40/55/1286474055.db2.gz LUOQZJMJSJMQRQ-SECBINFHSA-N -2 0 363.413 0.240 20 0 FCADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001600501693 1286499680 /nfs/dbraw/zinc/49/96/80/1286499680.db2.gz HWIQYVOYIPGRJO-NEPJUHHUSA-N -2 0 364.379 0.980 20 0 FCADRL Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001600635226 1286518152 /nfs/dbraw/zinc/51/81/52/1286518152.db2.gz BEFHLQHARQBGQG-UHFFFAOYSA-N -2 0 353.356 0.311 20 0 FCADRL Cc1nc2ccccc2n1CC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC001600729049 1286533520 /nfs/dbraw/zinc/53/35/20/1286533520.db2.gz GEUCYMCZMPTNJC-NXEZZACHSA-N -2 0 353.400 0.900 20 0 FCADRL Cc1nn(C)c2ncc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])cc12 ZINC001600775966 1286542258 /nfs/dbraw/zinc/54/22/58/1286542258.db2.gz MOHATOZVTFIGPW-VXNVDRBHSA-N -2 0 354.388 0.446 20 0 FCADRL Cc1noc(C)c1[C@@H](C)CC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001600808127 1286549713 /nfs/dbraw/zinc/54/97/13/1286549713.db2.gz UGEUYBJBZDNBIW-VIFPVBQESA-N -2 0 373.431 0.943 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@]12CCC(=O)N1CCS2 ZINC001600834651 1286552903 /nfs/dbraw/zinc/55/29/03/1286552903.db2.gz ZSXBSAOGICKPRR-ZDUSSCGKSA-N -2 0 374.396 0.157 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)COCc1ccncc1 ZINC001600834421 1286553216 /nfs/dbraw/zinc/55/32/16/1286553216.db2.gz POCOIDMPUMOODL-UHFFFAOYSA-N -2 0 354.340 0.703 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)c1cnc2n1CCOC2 ZINC001600836196 1286553327 /nfs/dbraw/zinc/55/33/27/1286553327.db2.gz JJYUSNMSCVSMRJ-UHFFFAOYSA-N -2 0 355.328 0.132 20 0 FCADRL Cc1oc(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CCOCC2)cc1C(=O)[O-] ZINC001600855413 1286557665 /nfs/dbraw/zinc/55/76/65/1286557665.db2.gz HSXPCFOBYLNTHA-NSHDSACASA-N -2 0 361.372 0.834 20 0 FCADRL Cc1oc(CNC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)cc1C(=O)[O-] ZINC001600851330 1286558072 /nfs/dbraw/zinc/55/80/72/1286558072.db2.gz RDYPOQNLBGJOER-UHFFFAOYSA-N -2 0 358.310 0.796 20 0 FCADRL Cc1oc(S(=O)(=O)[N-]c2cnn(CC(=O)NC3CC3)c2)cc1C(=O)[O-] ZINC001600856817 1286558916 /nfs/dbraw/zinc/55/89/16/1286558916.db2.gz NHKZDRVXVXRARJ-UHFFFAOYSA-N -2 0 368.371 0.562 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)N[C@]3(C(=O)[O-])CCSC3)cc2[n-]c1=S ZINC001600919606 1286569167 /nfs/dbraw/zinc/56/91/67/1286569167.db2.gz AZWSZKICDIRECP-OAHLLOKOSA-N -2 0 365.436 0.912 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)NC3(C(=O)[O-])CC(CO)C3)cc2[n-]c1=S ZINC001600920454 1286569224 /nfs/dbraw/zinc/56/92/24/1286569224.db2.gz WGEIIEGKSCZJPO-UHFFFAOYSA-N -2 0 363.395 0.178 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])cc2[n-]c1=S ZINC001600920351 1286569568 /nfs/dbraw/zinc/56/95/68/1286569568.db2.gz UASHUFZXNZUSQH-KWQFWETISA-N -2 0 351.359 0.859 20 0 FCADRL Cn1nnnc1-c1cccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)c1 ZINC001601044176 1286620863 /nfs/dbraw/zinc/62/08/63/1286620863.db2.gz HDLRPACUQJQVHE-UHFFFAOYSA-N -2 0 360.355 0.771 20 0 FCADRL NC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001601145391 1286653031 /nfs/dbraw/zinc/65/30/31/1286653031.db2.gz PNUSGSQJJDXGGJ-NEPJUHHUSA-N -2 0 368.411 0.623 20 0 FCADRL NC(=O)c1csc(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC001601170664 1286672369 /nfs/dbraw/zinc/67/23/69/1286672369.db2.gz JHMMHMNKRKJGAC-UHFFFAOYSA-N -2 0 368.392 0.805 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC001601199699 1286694210 /nfs/dbraw/zinc/69/42/10/1286694210.db2.gz GSFWROQGTVWDKS-CYBMUJFWSA-N -2 0 356.400 0.803 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)C[C@@H]2OCc3ccccc32)CC1 ZINC001601259887 1286707489 /nfs/dbraw/zinc/70/74/89/1286707489.db2.gz MFCAOTYHPQIIFY-AWEZNQCLSA-N -2 0 368.411 0.806 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)CN2CCCCC2=O)cc1 ZINC001601314756 1286723706 /nfs/dbraw/zinc/72/37/06/1286723706.db2.gz PROZVVBGCLEUOJ-UHFFFAOYSA-N -2 0 354.384 0.343 20 0 FCADRL O=C([O-])c1cnn(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC001601379254 1286736947 /nfs/dbraw/zinc/73/69/47/1286736947.db2.gz GDPAQLJTNPUXQG-UHFFFAOYSA-N -2 0 365.367 0.411 20 0 FCADRL O=C([O-])[C@]1(CNC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)CCOC1 ZINC001601473016 1286757730 /nfs/dbraw/zinc/75/77/30/1286757730.db2.gz QBDFXNCCSVCAHJ-ZDUSSCGKSA-N -2 0 364.276 0.679 20 0 FCADRL O=C([O-])[C@@H](O)CNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC001601523883 1286779220 /nfs/dbraw/zinc/77/92/20/1286779220.db2.gz QXFSMSSNWPGOHC-NSHDSACASA-N -2 0 370.408 0.724 20 0 FCADRL O=C([O-])c1cc(Cl)cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC001601587739 1286788383 /nfs/dbraw/zinc/78/83/83/1286788383.db2.gz JJIIGFPKBPZHTO-SNVBAGLBSA-N -2 0 356.718 0.289 20 0 FCADRL COCc1nc(C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)co1 ZINC001609331465 1289102884 /nfs/dbraw/zinc/10/28/84/1289102884.db2.gz LUGBTXDKWWXGNQ-UHFFFAOYSA-N -2 0 372.301 0.106 20 0 FCADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC001601803975 1286839197 /nfs/dbraw/zinc/83/91/97/1286839197.db2.gz IQGIHERHPFKGEZ-DTWKUNHWSA-N -2 0 365.358 0.844 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])C1CCOCC1 ZINC001601906579 1286865637 /nfs/dbraw/zinc/86/56/37/1286865637.db2.gz LVHPCDCVSMFQPF-FRRDWIJNSA-N -2 0 363.432 0.819 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)c1ccccn1 ZINC001601908258 1286865883 /nfs/dbraw/zinc/86/58/83/1286865883.db2.gz CQBVUWTXPPXDAT-LBPRGKRZSA-N -2 0 351.340 0.669 20 0 FCADRL O=C([O-])CC1(C[N@@H+]2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])CC1 ZINC001601915524 1286870363 /nfs/dbraw/zinc/87/03/63/1286870363.db2.gz NHSLAJHOYKRFDG-WCBMZHEXSA-N -2 0 352.309 0.837 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)N2CC(=O)Nc3cc(C(=O)[O-])ccc32)CC1 ZINC001601920551 1286870882 /nfs/dbraw/zinc/87/08/82/1286870882.db2.gz BFLSHRCHDXBSMS-UHFFFAOYSA-N -2 0 368.367 0.728 20 0 FCADRL O=C([O-])C[C@]1(NC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)CCOC1 ZINC001601932068 1286874490 /nfs/dbraw/zinc/87/44/90/1286874490.db2.gz JOJUYOUNIIENJO-CYBMUJFWSA-N -2 0 364.276 0.822 20 0 FCADRL O=C([O-])C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CCO1 ZINC001601958400 1286884556 /nfs/dbraw/zinc/88/45/56/1286884556.db2.gz KSMZPBSNNHUDRA-OCCSQVGLSA-N -2 0 361.354 0.408 20 0 FCADRL O=C([O-])CCC1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1 ZINC001601976730 1286892194 /nfs/dbraw/zinc/89/21/94/1286892194.db2.gz IRAKYIONPAGHOI-UONOGXRCSA-N -2 0 366.414 0.659 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@H](c1ccccc1F)N1CCOCC1 ZINC001602028600 1286908344 /nfs/dbraw/zinc/90/83/44/1286908344.db2.gz WNHICJYTCRZWHP-AWEZNQCLSA-N -2 0 374.390 0.120 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)COc1cccc(Br)c1 ZINC001602028001 1286908400 /nfs/dbraw/zinc/90/84/00/1286908400.db2.gz MJIZYTQKACBHTM-UHFFFAOYSA-N -2 0 366.189 0.749 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC001602027950 1286909246 /nfs/dbraw/zinc/90/92/46/1286909246.db2.gz LJIRLBQJOPGJRU-CQSZACIVSA-N -2 0 374.390 0.120 20 0 FCADRL O=C([O-])COC1CCN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC001602076283 1286928374 /nfs/dbraw/zinc/92/83/74/1286928374.db2.gz PQFBHVOSCWIPOI-UHFFFAOYSA-N -2 0 357.384 0.568 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)CCn1c(=O)oc2cc(Cl)ccc21 ZINC001602096609 1286933562 /nfs/dbraw/zinc/93/35/62/1286933562.db2.gz ASNITMRJDRVFMN-UHFFFAOYSA-N -2 0 362.747 0.169 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)COc1cccc(Br)c1 ZINC001602097696 1286933687 /nfs/dbraw/zinc/93/36/87/1286933687.db2.gz UKQWIQRCRHVCFB-UHFFFAOYSA-N -2 0 352.162 0.359 20 0 FCADRL O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001602103596 1286937038 /nfs/dbraw/zinc/93/70/38/1286937038.db2.gz JBEUIUYTGNUASJ-GFCCVEGCSA-N -2 0 355.354 0.273 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cn1 ZINC001602164309 1286953720 /nfs/dbraw/zinc/95/37/20/1286953720.db2.gz ZGSCTLIYNGGASQ-GFCCVEGCSA-N -2 0 353.356 0.114 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)N2CCCc3ccccc32)O1 ZINC001602177151 1286958832 /nfs/dbraw/zinc/95/88/32/1286958832.db2.gz QZJXUAYIHPDLEZ-OLZOCXBDSA-N -2 0 354.384 0.432 20 0 FCADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)c1F ZINC001602225496 1286971935 /nfs/dbraw/zinc/97/19/35/1286971935.db2.gz AKNHZEXHZDFLDE-UHFFFAOYSA-N -3 0 363.294 0.723 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCN(c3nccs3)CC2)on1 ZINC001602293547 1286985603 /nfs/dbraw/zinc/98/56/03/1286985603.db2.gz PCAYDBABBOULFJ-UHFFFAOYSA-N -2 0 358.401 0.777 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCCS2(=O)=O)s1 ZINC001602395478 1286994883 /nfs/dbraw/zinc/99/48/83/1286994883.db2.gz BGAGZIPFUCHUSN-MRVPVSSYSA-N -2 0 367.426 0.219 20 0 FCADRL O=C([O-])c1cn(-c2cccc([N-]S(=O)(=O)c3cnc4n3CCC4)c2)nn1 ZINC001602495872 1287014587 /nfs/dbraw/zinc/01/45/87/1287014587.db2.gz VDYBGWODBRHNPN-UHFFFAOYSA-N -2 0 374.382 0.909 20 0 FCADRL O=C([O-])c1cn(CC[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)nn1 ZINC001602505198 1287017234 /nfs/dbraw/zinc/01/72/34/1287017234.db2.gz CNHVIAGZWXVPOG-UHFFFAOYSA-N -2 0 366.733 0.886 20 0 FCADRL O=C([O-])c1csc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC001602563865 1287027430 /nfs/dbraw/zinc/02/74/30/1287027430.db2.gz KDPTVYIYAKXGAF-SSDOTTSWSA-N -2 0 358.401 0.838 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001602583914 1287031253 /nfs/dbraw/zinc/03/12/53/1287031253.db2.gz VJNSOVOCYDIDNY-ZETCQYMHSA-N -3 0 362.385 0.537 20 0 FCADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)NCc1nc(=O)o[n-]1 ZINC001602594387 1287032985 /nfs/dbraw/zinc/03/29/85/1287032985.db2.gz AFKOVLVHRHDHJX-UHFFFAOYSA-N -2 0 355.353 0.754 20 0 FCADRL O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1ccc(-n3[nH]c(=O)[n-]c3=O)cc1)CC2 ZINC001602623651 1287037489 /nfs/dbraw/zinc/03/74/89/1287037489.db2.gz BHTIPPIZKSTWRE-PXAZEXFGSA-N -2 0 358.354 0.736 20 0 FCADRL O=C([O-])[C@]12CN(C(=O)c3nc[n-]c(=O)c3Br)C[C@H]1COCC2 ZINC001602629899 1287039969 /nfs/dbraw/zinc/03/99/69/1287039969.db2.gz XAWSQJVJQNLXGK-WPPNPWJKSA-N -2 0 372.175 0.508 20 0 FCADRL O=C([O-])C(F)=C(Nc1ccc2cn[nH]c2c1)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001602656000 1287052955 /nfs/dbraw/zinc/05/29/55/1287052955.db2.gz JQBAYPWGQZLMCM-SECBINFHSA-N -2 0 363.330 0.183 20 0 FCADRL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001609378180 1289130278 /nfs/dbraw/zinc/13/02/78/1289130278.db2.gz OCCVJYHQSMOXNL-KRWDZBQOSA-N -2 0 374.401 0.840 20 0 FCADRL CC(C)(C(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001603048310 1287196800 /nfs/dbraw/zinc/19/68/00/1287196800.db2.gz CGMDRSWPDSLXEW-VIFPVBQESA-N -2 0 369.403 0.971 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NOCCCC(=O)[O-])c1 ZINC001603073602 1287202892 /nfs/dbraw/zinc/20/28/92/1287202892.db2.gz LVWAZGFJWNOHJQ-UHFFFAOYSA-N -2 0 373.387 0.543 20 0 FCADRL CO[C@H](CS(=O)(=O)[N-]c1n[nH]c(C2CC2)c1-c1nnn[n-]1)C(C)C ZINC001605013256 1287836823 /nfs/dbraw/zinc/83/68/23/1287836823.db2.gz WVUIRCICYFPJGJ-SECBINFHSA-N -2 0 355.424 0.880 20 0 FCADRL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001606007462 1288127456 /nfs/dbraw/zinc/12/74/56/1288127456.db2.gz HAVVHCVIADZLSR-UHFFFAOYSA-N -2 0 366.351 0.798 20 0 FCADRL CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)c1 ZINC001606309299 1288261401 /nfs/dbraw/zinc/26/14/01/1288261401.db2.gz RWHKQSPJJHASJL-UHFFFAOYSA-N -2 0 371.396 0.489 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)[O-])c1ccn(C)n1 ZINC001606343300 1288266120 /nfs/dbraw/zinc/26/61/20/1288266120.db2.gz SZDXKJDHNKRIHP-SECBINFHSA-N -2 0 373.412 0.681 20 0 FCADRL COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)c1 ZINC001606548357 1288376701 /nfs/dbraw/zinc/37/67/01/1288376701.db2.gz CHYFEFFLRLOUDD-UHFFFAOYSA-N -2 0 355.303 0.901 20 0 FCADRL COC(=O)c1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])ccc1C(=O)[O-] ZINC001606548277 1288377529 /nfs/dbraw/zinc/37/75/29/1288377529.db2.gz RXJYQZIDGKTIBY-LLVKDONJSA-N -2 0 364.310 0.186 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2C)c(C)o1 ZINC001606570788 1288390553 /nfs/dbraw/zinc/39/05/53/1288390553.db2.gz JSCNGKNKAGSNSD-UHFFFAOYSA-N -2 0 357.344 0.765 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2c(C(=O)[O-])c(C)nn2C)cn1C ZINC001606570510 1288391403 /nfs/dbraw/zinc/39/14/03/1288391403.db2.gz PLLCNWDVIZXPKR-UHFFFAOYSA-N -2 0 356.360 0.353 20 0 FCADRL COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)C23CC(C(=O)[O-])(C2)C3)c1 ZINC001606614573 1288409850 /nfs/dbraw/zinc/40/98/50/1288409850.db2.gz UGKASEDIFPSVBN-UHFFFAOYSA-N -2 0 367.379 0.674 20 0 FCADRL COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001606622868 1288414258 /nfs/dbraw/zinc/41/42/58/1288414258.db2.gz HJJYCVYBULOZIO-KGXJWFGYSA-N -2 0 373.383 0.757 20 0 FCADRL CO[C@@H](CS(=O)(=O)[N-]c1ncn(CC(=O)[O-])n1)c1ccc(F)cc1 ZINC001606682678 1288438465 /nfs/dbraw/zinc/43/84/65/1288438465.db2.gz HPXFSQITXUWJGT-NSHDSACASA-N -2 0 358.351 0.631 20 0 FCADRL COC[C@](C)(CC(=O)[O-])NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC001606784180 1288515496 /nfs/dbraw/zinc/51/54/96/1288515496.db2.gz GUQZFGZVIBWXEJ-HNNXBMFYSA-N -2 0 374.415 0.252 20 0 FCADRL COC[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F)C(=O)[O-] ZINC001606812840 1288529391 /nfs/dbraw/zinc/52/93/91/1288529391.db2.gz LHJVDYGBGVRYER-SECBINFHSA-N -2 0 370.305 0.778 20 0 FCADRL COCCOc1ccnc([N-]S(=O)(=O)c2csnc2C(=O)[O-])n1 ZINC001606917297 1288562467 /nfs/dbraw/zinc/56/24/67/1288562467.db2.gz JQLLQIWQVSWVPN-UHFFFAOYSA-N -2 0 360.373 0.457 20 0 FCADRL O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001606961135 1288576706 /nfs/dbraw/zinc/57/67/06/1288576706.db2.gz XDQKEVDFWFONHC-FYBVGQRMSA-N -2 0 353.360 0.334 20 0 FCADRL COCc1cccc(CC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001606963514 1288577640 /nfs/dbraw/zinc/57/76/40/1288577640.db2.gz KOKAYGHGCDCRKZ-UHFFFAOYSA-N -2 0 370.427 0.533 20 0 FCADRL O=S(=O)([N-]c1ccc(C2(O)COC2)cc1)c1ccc(-c2nnn[n-]2)o1 ZINC001607068560 1288641533 /nfs/dbraw/zinc/64/15/33/1288641533.db2.gz DYUWZALZXZNNMC-UHFFFAOYSA-N -2 0 363.355 0.478 20 0 FCADRL COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC001607121891 1288670251 /nfs/dbraw/zinc/67/02/51/1288670251.db2.gz DYVYHHHMRMHEAQ-SNVBAGLBSA-N -2 0 352.343 0.805 20 0 FCADRL COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001607122631 1288670357 /nfs/dbraw/zinc/67/03/57/1288670357.db2.gz RDLLKHCMWYWSSY-UHFFFAOYSA-N -2 0 352.343 0.949 20 0 FCADRL COc1ccc(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)c(CC(=O)[O-])c1 ZINC001607284750 1288693016 /nfs/dbraw/zinc/69/30/16/1288693016.db2.gz SGNTUEVCLDOPOZ-PHIMTYICSA-N -2 0 357.384 0.806 20 0 FCADRL CS(=O)(=O)[N-]c1ccccc1C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001607376167 1288701859 /nfs/dbraw/zinc/70/18/59/1288701859.db2.gz NWZQXOPZMZWHAG-HNNXBMFYSA-N -2 0 367.383 0.504 20 0 FCADRL C[C@@H](O)[C@H](NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)C(=O)[O-] ZINC001607424546 1288705439 /nfs/dbraw/zinc/70/54/39/1288705439.db2.gz YPASJXVOCIUULT-PELKAZGASA-N -2 0 351.384 0.026 20 0 FCADRL C[C@H]1OCCN(S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])[C@@H]1C(=O)[O-] ZINC001607482240 1288718119 /nfs/dbraw/zinc/71/81/19/1288718119.db2.gz HLNIPDOSGQOCTH-HQJQHLMTSA-N -2 0 363.775 0.901 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])cnn1-c1ccccn1 ZINC001607509134 1288721956 /nfs/dbraw/zinc/72/19/56/1288721956.db2.gz RUTXTHKSZMVJSC-GXSJLCMTSA-N -2 0 366.399 0.745 20 0 FCADRL Cc1c([C@@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2C)C(=O)[O-])cnn1C ZINC001607519348 1288723179 /nfs/dbraw/zinc/72/31/79/1288723179.db2.gz HRTMXMKFUFCHCF-CYBMUJFWSA-N -2 0 367.383 0.839 20 0 FCADRL Cc1cc(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001607576887 1288727093 /nfs/dbraw/zinc/72/70/93/1288727093.db2.gz XSZRTPYHTWWJOA-LURJTMIESA-N -2 0 360.248 0.880 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])ccc1-n1cncn1 ZINC001607579726 1288727461 /nfs/dbraw/zinc/72/74/61/1288727461.db2.gz DRIIIJZWAAILCC-MNOVXSKESA-N -2 0 366.399 0.745 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]([C@H]2CCOC2)C(F)(F)F)c1C(=O)[O-] ZINC001607939647 1288749952 /nfs/dbraw/zinc/74/99/52/1288749952.db2.gz DRAIOJAPFYAKDU-XPUUQOCRSA-N -2 0 357.310 0.662 20 0 FCADRL Cc1oc(CNC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001608051357 1288762626 /nfs/dbraw/zinc/76/26/26/1288762626.db2.gz SXFNLHMHRFITIN-SCZZXKLOSA-N -2 0 352.343 0.472 20 0 FCADRL Cn1cc(CCC(=O)[N-]S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cn1 ZINC001608108511 1288769752 /nfs/dbraw/zinc/76/97/52/1288769752.db2.gz QQPHYHFFHROMFW-UHFFFAOYSA-N -2 0 352.372 0.524 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ncn(CC(F)(F)F)n2)cc1C(=O)[O-] ZINC001608122338 1288774946 /nfs/dbraw/zinc/77/49/46/1288774946.db2.gz PYBALNHKAROSIX-UHFFFAOYSA-N -2 0 353.282 0.678 20 0 FCADRL O=C([O-])c1ccnc(NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC001608342813 1288826274 /nfs/dbraw/zinc/82/62/74/1288826274.db2.gz UBLOWWGUCPDFML-UHFFFAOYSA-N -2 0 371.321 0.975 20 0 FCADRL O=C([O-])c1ccccc1CC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC001608367831 1288830436 /nfs/dbraw/zinc/83/04/36/1288830436.db2.gz ISSAKRPBMUHVEN-UHFFFAOYSA-N -2 0 365.367 0.411 20 0 FCADRL O=C([O-])c1cccc2c1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)C2 ZINC001608420622 1288840858 /nfs/dbraw/zinc/84/08/58/1288840858.db2.gz UMVAJPABIGEQJI-OAHLLOKOSA-N -2 0 374.393 0.887 20 0 FCADRL O=C([O-])[C@H](C[C@H]1CCOC1)NS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001608532172 1288854300 /nfs/dbraw/zinc/85/43/00/1288854300.db2.gz FZYIKUZLJULMQB-NEPJUHHUSA-N -2 0 363.432 0.821 20 0 FCADRL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1nc[nH]c1Br ZINC001608530422 1288854734 /nfs/dbraw/zinc/85/47/34/1288854734.db2.gz UDWRPLLPMSVSIQ-VKHMYHEASA-N -2 0 366.115 0.856 20 0 FCADRL O=C([O-])C1(c2ccc(S(=O)(=O)N3C[C@H]4C[C@@]4(C(=O)[O-])C3)cc2)CC1 ZINC001608581094 1288857522 /nfs/dbraw/zinc/85/75/22/1288857522.db2.gz GDCNMXJTIHSJFX-BDJLRTHQSA-N -2 0 351.380 0.898 20 0 FCADRL O=C([O-])CCCOc1ccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC001608716958 1288869137 /nfs/dbraw/zinc/86/91/37/1288869137.db2.gz OVKLPMZCUZULSW-CQSZACIVSA-N -2 0 366.370 0.925 20 0 FCADRL O=C([O-])CCN(Cc1ccccn1)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001608722508 1288870466 /nfs/dbraw/zinc/87/04/66/1288870466.db2.gz KMYOVLICXRMNAG-UHFFFAOYSA-N -2 0 365.367 0.840 20 0 FCADRL O=C([O-])Cc1nnc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)[nH]1 ZINC001608793584 1288874622 /nfs/dbraw/zinc/87/46/22/1288874622.db2.gz DBLAGMPKMMEFMM-UHFFFAOYSA-N -2 0 351.266 0.646 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CCSC[C@@H](C(=O)[O-])C2)ccc1F ZINC001608858926 1288876408 /nfs/dbraw/zinc/87/64/08/1288876408.db2.gz PYSQQDDPMSAQAK-QMMMGPOBSA-N -2 0 363.388 0.962 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)c(F)cc1Cl ZINC001608859603 1288876500 /nfs/dbraw/zinc/87/65/00/1288876500.db2.gz AVAPNLJNIOGIOB-LBPRGKRZSA-N -2 0 367.738 0.699 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C2(C(=O)Nc3ccccc3)CC2)on1 ZINC001608860143 1288876653 /nfs/dbraw/zinc/87/66/53/1288876653.db2.gz XHJSOBGESHHHMQ-UHFFFAOYSA-N -2 0 351.340 0.822 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)ccc1F ZINC001608859323 1288876830 /nfs/dbraw/zinc/87/68/30/1288876830.db2.gz OGXKKGJDZDLCHF-QMMMGPOBSA-N -2 0 370.362 0.916 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CCCN(C(=O)C2CCC2)C2CC2)on1 ZINC001608861571 1288877497 /nfs/dbraw/zinc/87/74/97/1288877497.db2.gz AXPAWDSVFWEVMU-UHFFFAOYSA-N -2 0 371.415 0.832 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCc3n[nH]cc3C2)c1 ZINC001608932456 1288879416 /nfs/dbraw/zinc/87/94/16/1288879416.db2.gz KGYOFSCLBAEKJC-NSHDSACASA-N -2 0 363.395 0.859 20 0 FCADRL O=C([O-])c1cnc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cn1 ZINC001609040007 1288884979 /nfs/dbraw/zinc/88/49/79/1288884979.db2.gz YUPWMXZPCMOOQD-UHFFFAOYSA-N -2 0 366.330 0.999 20 0 FCADRL O=C(CCOCC1CC1)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001609524456 1289193710 /nfs/dbraw/zinc/19/37/10/1289193710.db2.gz SXVRYMPRHXEXNE-UHFFFAOYSA-N -2 0 359.346 0.475 20 0 FCADRL CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC001609623222 1289266430 /nfs/dbraw/zinc/26/64/30/1289266430.db2.gz QIBLNRRBUROUBE-GFCCVEGCSA-N -2 0 371.415 0.709 20 0 FCADRL CC(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC001609623704 1289266485 /nfs/dbraw/zinc/26/64/85/1289266485.db2.gz CYALRDHZGIXBPI-UHFFFAOYSA-N -2 0 369.399 0.416 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1ccoc1 ZINC001609638525 1289270058 /nfs/dbraw/zinc/27/00/58/1289270058.db2.gz HORWIJCGSGRGIU-RKDXNWHRSA-N -2 0 355.372 0.849 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CCCNC(=O)C(C)(C)C ZINC001609638206 1289270207 /nfs/dbraw/zinc/27/02/07/1289270207.db2.gz BWMWFWVPICDGMG-VHSXEESVSA-N -2 0 350.437 0.484 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(OCC(F)F)n1 ZINC001609638679 1289270712 /nfs/dbraw/zinc/27/07/12/1289270712.db2.gz JLPKYLRCXVLNMO-JGVFFNPUSA-N -2 0 366.342 0.894 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCc1ccc(C(N)=O)cc1 ZINC001609638697 1289270847 /nfs/dbraw/zinc/27/08/47/1289270847.db2.gz JRSNWELBTBOQFU-UWVGGRQHSA-N -2 0 356.400 0.273 20 0 FCADRL C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001609734703 1289287835 /nfs/dbraw/zinc/28/78/35/1289287835.db2.gz LAVHXNWWKDQBBQ-SSDOTTSWSA-N -2 0 367.326 0.509 20 0 FCADRL C[C@@H](Cc1cnn(C)c1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001609751498 1289290720 /nfs/dbraw/zinc/29/07/20/1289290720.db2.gz XTNHURLANFTSIU-QMMMGPOBSA-N -2 0 357.413 0.864 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C1CCCCC1 ZINC001609759518 1289292583 /nfs/dbraw/zinc/29/25/83/1289292583.db2.gz JEOPPSJTIQFRFW-OUAUKWLOSA-N -2 0 362.448 0.627 20 0 FCADRL C[C@@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001609760596 1289293912 /nfs/dbraw/zinc/29/39/12/1289293912.db2.gz DNLWIRIGAQILKJ-SSDOTTSWSA-N -2 0 362.429 0.802 20 0 FCADRL CC(C)[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC001609865893 1289316238 /nfs/dbraw/zinc/31/62/38/1289316238.db2.gz CURQBSWWDXKXLQ-MBNYWOFBSA-N -2 0 364.464 0.431 20 0 FCADRL CC[C@](COC)(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C(=O)[O-] ZINC001609924717 1289328874 /nfs/dbraw/zinc/32/88/74/1289328874.db2.gz PMHOQBBWTGLTOE-OAHLLOKOSA-N -2 0 374.415 0.252 20 0 FCADRL CCCc1noc(CCCC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])n1 ZINC001609986137 1289337996 /nfs/dbraw/zinc/33/79/96/1289337996.db2.gz JOMYZKSILMKFAA-VHSXEESVSA-N -2 0 361.420 0.900 20 0 FCADRL CCOC(=O)CC[C@H](NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])C(=O)[O-] ZINC001610016714 1289346485 /nfs/dbraw/zinc/34/64/85/1289346485.db2.gz VDSGUKCKVSEYMA-GARJFASQSA-N -2 0 365.404 0.346 20 0 FCADRL CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC001610021103 1289348273 /nfs/dbraw/zinc/34/82/73/1289348273.db2.gz CVOKPJBIKBICBL-UHFFFAOYSA-N -2 0 373.387 0.393 20 0 FCADRL CCOCCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1csnc1C(=O)[O-] ZINC001610036381 1289353710 /nfs/dbraw/zinc/35/37/10/1289353710.db2.gz VMMXXNUGUXPFFF-MRVPVSSYSA-N -2 0 366.417 0.589 20 0 FCADRL CN(C(=O)CSCC(=O)[N-]S(=O)(=O)CC(=O)[O-])C1CCCCC1 ZINC001610091666 1289367252 /nfs/dbraw/zinc/36/72/52/1289367252.db2.gz MCAUUYYEKAEKDV-UHFFFAOYSA-N -2 0 366.461 0.041 20 0 FCADRL CN(C)S(=O)(=O)c1cccc(CS(=O)(=O)c2ncc(C(=O)[O-])[n-]2)c1 ZINC001610103681 1289373890 /nfs/dbraw/zinc/37/38/90/1289373890.db2.gz WHXIBEBSVCPARO-UHFFFAOYSA-N -2 0 373.412 0.332 20 0 FCADRL CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)[O-])CC1=O ZINC001610129027 1289385157 /nfs/dbraw/zinc/38/51/57/1289385157.db2.gz JJGPRHIREZMMOD-QMMMGPOBSA-N -2 0 374.802 0.712 20 0 FCADRL COC(=O)c1[nH]cc(C(=O)[O-])c1[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC001610194295 1289421115 /nfs/dbraw/zinc/42/11/15/1289421115.db2.gz PIXDCTORUGLCFS-UHFFFAOYSA-N -2 0 356.360 0.651 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(OC)n(C)n2)c1 ZINC001610195330 1289421211 /nfs/dbraw/zinc/42/12/11/1289421211.db2.gz KLWGDFLMCTZOGI-UHFFFAOYSA-N -2 0 369.355 0.714 20 0 FCADRL COC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(=O)[O-] ZINC001610249603 1289437323 /nfs/dbraw/zinc/43/73/23/1289437323.db2.gz FJCYQNVGGSOVBO-MRVPVSSYSA-N -2 0 355.727 0.555 20 0 FCADRL COc1ccc(Br)cc1CC(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001610311760 1289457443 /nfs/dbraw/zinc/45/74/43/1289457443.db2.gz ROJBCVCVMOOWAH-UHFFFAOYSA-N -2 0 366.189 0.531 20 0 FCADRL COc1cc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])ccc1C(=O)[O-] ZINC001610308835 1289457626 /nfs/dbraw/zinc/45/76/26/1289457626.db2.gz ZVUHPDMCDLBLIH-UHFFFAOYSA-N -3 0 355.328 0.626 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCOC2)c(CC(=O)[O-])c1 ZINC001610346007 1289466794 /nfs/dbraw/zinc/46/67/94/1289466794.db2.gz LSUNTEYRKGFWMT-JTQLQIEISA-N -2 0 357.384 0.554 20 0 FCADRL COc1ccc([C@@H]2CN(S(=O)(=O)CCCC(=O)[O-])C[C@H]2C(=O)[O-])cc1 ZINC001610348176 1289467389 /nfs/dbraw/zinc/46/73/89/1289467389.db2.gz UMSHRSBGCHWVBH-UONOGXRCSA-N -2 0 371.411 0.990 20 0 FCADRL COc1cccc([C@@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C(=O)[O-])c1 ZINC001610355317 1289469006 /nfs/dbraw/zinc/46/90/06/1289469006.db2.gz RONXKXCZPIVYEF-GFCCVEGCSA-N -2 0 354.340 0.826 20 0 FCADRL COc1ccccc1CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])n1C ZINC001610367026 1289470307 /nfs/dbraw/zinc/47/03/07/1289470307.db2.gz ZCGQHKBFUWLEOW-UHFFFAOYSA-N -2 0 352.368 0.992 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC001610397624 1289480031 /nfs/dbraw/zinc/48/00/31/1289480031.db2.gz UAUNSCOZZSMAIF-NSHDSACASA-N -2 0 373.369 0.192 20 0 FCADRL Cc1c(CCC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cnn1C ZINC001610415386 1289482811 /nfs/dbraw/zinc/48/28/11/1289482811.db2.gz ONVIIBPLKKLVBY-UHFFFAOYSA-N -2 0 357.413 0.926 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)ccc1-n1cnnn1 ZINC001610474706 1289492160 /nfs/dbraw/zinc/49/21/60/1289492160.db2.gz XNXVCWIUDRSRST-UHFFFAOYSA-N -2 0 360.355 0.865 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](CF)C(=O)[O-])c2)no1 ZINC001610474654 1289492184 /nfs/dbraw/zinc/49/21/84/1289492184.db2.gz VUSQSXBRNHZQJY-NSHDSACASA-N -2 0 371.346 0.936 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](CF)C(=O)[O-])c2)no1 ZINC001610474653 1289492210 /nfs/dbraw/zinc/49/22/10/1289492210.db2.gz VUSQSXBRNHZQJY-LLVKDONJSA-N -2 0 371.346 0.936 20 0 FCADRL Cn1cc(Br)c(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])n1 ZINC001610598865 1289522359 /nfs/dbraw/zinc/52/23/59/1289522359.db2.gz FADDYAZNFRJLGR-UHFFFAOYSA-N -2 0 354.182 0.107 20 0 FCADRL Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cn1 ZINC001610601917 1289523515 /nfs/dbraw/zinc/52/35/15/1289523515.db2.gz WNVFYDGBIYBSQZ-DJWKRKHSSA-N -2 0 371.321 0.915 20 0 FCADRL Cn1cnnc1-c1ccnc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC001610611854 1289528250 /nfs/dbraw/zinc/52/82/50/1289528250.db2.gz CQMNKJHARAHGJA-UHFFFAOYSA-N -2 0 366.384 0.833 20 0 FCADRL NC(=O)Cn1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cn1 ZINC001610638792 1289536879 /nfs/dbraw/zinc/53/68/79/1289536879.db2.gz MLUYGJBPXCRFDT-UHFFFAOYSA-N -2 0 358.763 0.521 20 0 FCADRL Nc1cn[n-]c(=NNS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1Cl ZINC001610648122 1289541445 /nfs/dbraw/zinc/54/14/45/1289541445.db2.gz HRACYEZCUROXPR-UHFFFAOYSA-N -2 0 361.742 0.855 20 0 FCADRL O=C([O-])CCN(Cc1ccncc1)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001610773568 1289586688 /nfs/dbraw/zinc/58/66/88/1289586688.db2.gz CJSKNCHCGLMJGO-UHFFFAOYSA-N -2 0 356.400 0.943 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)/C=C\c1ccc(Br)o1 ZINC001610775256 1289587751 /nfs/dbraw/zinc/58/77/51/1289587751.db2.gz LTLQGCHZJUZERA-RQOWECAXSA-N -2 0 352.162 0.976 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)COc1ccccc1OCC(F)(F)F ZINC001610789261 1289593685 /nfs/dbraw/zinc/59/36/85/1289593685.db2.gz DVSQGPQKMCXONC-UHFFFAOYSA-N -2 0 371.289 0.537 20 0 FCADRL O=C([O-])Cc1csc(CCNS(=O)(=O)CC2(CC(=O)[O-])CC2)n1 ZINC001610797902 1289596080 /nfs/dbraw/zinc/59/60/80/1289596080.db2.gz GQSMBKWUUVBJHO-UHFFFAOYSA-N -2 0 362.429 0.487 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)cn1 ZINC001610800405 1289597279 /nfs/dbraw/zinc/59/72/79/1289597279.db2.gz RWHXQWDRLOJOPM-GFCCVEGCSA-N -2 0 367.339 0.009 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2ccccc2Cn2ccnc2)n1 ZINC001610801178 1289597371 /nfs/dbraw/zinc/59/73/71/1289597371.db2.gz QEUCTRWZCHNACB-UHFFFAOYSA-N -2 0 362.371 0.408 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)CC2)c1 ZINC001610883704 1289615995 /nfs/dbraw/zinc/61/59/95/1289615995.db2.gz NTYDUOXAVXCXAZ-LLVKDONJSA-N -2 0 354.384 0.247 20 0 FCADRL NC(=O)c1cn(CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c2ccccc12 ZINC000739183692 836107500 /nfs/dbraw/zinc/10/75/00/836107500.db2.gz IQGAXXLTWWHTNP-UHFFFAOYSA-N -2 0 367.383 0.051 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1cnc(Cl)cc1Cl)C(=O)[O-] ZINC001116663751 846729352 /nfs/dbraw/zinc/72/93/52/846729352.db2.gz RFJWQARLVMXESL-LURJTMIESA-N -2 0 357.171 0.985 20 0 FCADRL O=C([O-])CCCC(=O)[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC001118913503 847633640 /nfs/dbraw/zinc/63/36/40/847633640.db2.gz JFCIYNHGZGPUNO-UHFFFAOYSA-N -2 0 351.384 0.991 20 0 FCADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CCC(=O)[O-])CN1CCOCC1 ZINC001119061962 847698474 /nfs/dbraw/zinc/69/84/74/847698474.db2.gz YSNMCGILHBIMPQ-UWVGGRQHSA-N -2 0 362.370 0.422 20 0 FCADRL CCS(=O)(=O)c1ccc(CC(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001143721162 849498967 /nfs/dbraw/zinc/49/89/67/849498967.db2.gz BJWDSMIPYLLWQY-UHFFFAOYSA-N -2 0 351.317 0.248 20 0 FCADRL CCOC(=O)c1ncncc1NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148917025 849620679 /nfs/dbraw/zinc/62/06/79/849620679.db2.gz JHBZTQOIFABRHN-UHFFFAOYSA-N -2 0 367.339 0.858 20 0 FCADRL O=C([O-])c1sc(C(=O)NCCCC[P@](=O)([O-])O)c2c1OCCO2 ZINC001152713695 849723163 /nfs/dbraw/zinc/72/31/63/849723163.db2.gz NZLWNIDMCBPYPR-UHFFFAOYSA-N -2 0 365.300 0.905 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]C(=O)c2ncc(Br)cc2[O-])C1=O ZINC001156423302 849907728 /nfs/dbraw/zinc/90/77/28/849907728.db2.gz DBJOXYFKYPAENK-LBPRGKRZSA-N -2 0 357.164 0.915 20 0 FCADRL O=P([O-])([O-])OCCNc1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC001157796161 849995902 /nfs/dbraw/zinc/99/59/02/849995902.db2.gz YPDGJXXZTUMGSL-UHFFFAOYSA-N -2 0 365.348 0.777 20 0 FCADRL CCOC(=O)[C@@H]1CCCN(c2ccc(NCCOP(=O)([O-])[O-])nn2)C1 ZINC001157795869 849995997 /nfs/dbraw/zinc/99/59/97/849995997.db2.gz OWBJMHPRDFUUQY-LLVKDONJSA-N -2 0 374.334 0.777 20 0 FCADRL COC(=O)C1CCN(c2nccnc2NCCOP(=O)([O-])[O-])CC1 ZINC001157791289 849996051 /nfs/dbraw/zinc/99/60/51/849996051.db2.gz LCFYAHUHINYQBC-UHFFFAOYSA-N -2 0 360.307 0.387 20 0 FCADRL O=P([O-])([O-])OCCNc1nc2ncsc2c(N2CCOCC2)n1 ZINC001168586276 850590197 /nfs/dbraw/zinc/59/01/97/850590197.db2.gz HMOPCFTVQCIVEI-UHFFFAOYSA-N -2 0 361.320 0.444 20 0 FCADRL O=P([O-])([O-])OCCNc1nc(Cl)nc2c1CS(=O)(=O)CC2 ZINC001168587862 850590435 /nfs/dbraw/zinc/59/04/35/850590435.db2.gz YIFFWISMCPHUMV-UHFFFAOYSA-N -2 0 357.712 0.122 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1ccc2nc(C3CCOCC3)nn2c1 ZINC001174749380 850746091 /nfs/dbraw/zinc/74/60/91/850746091.db2.gz XZDAKBYOXHPRDY-UHFFFAOYSA-N -2 0 370.302 0.462 20 0 FCADRL CS(=O)(=O)c1ccc(CCC(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001180073969 851012810 /nfs/dbraw/zinc/01/28/10/851012810.db2.gz PNXVMMFVDLHMIX-UHFFFAOYSA-N -2 0 351.317 0.248 20 0 FCADRL O=C(COc1c(F)c(F)c(F)c(F)c1F)NCCOP(=O)([O-])[O-] ZINC001180160506 851015769 /nfs/dbraw/zinc/01/57/69/851015769.db2.gz XHXWOEDCMWNXAF-UHFFFAOYSA-N -2 0 365.147 0.986 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2scnc2C(N)=O)cc1C(=O)[O-] ZINC001185270084 851347861 /nfs/dbraw/zinc/34/78/61/851347861.db2.gz XTGBAZSXBQNUJR-UHFFFAOYSA-N -2 0 357.369 0.750 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cccnc2C(N)=O)cc1C(=O)[O-] ZINC001185270099 851348098 /nfs/dbraw/zinc/34/80/98/851348098.db2.gz YGGURGZRQXJTBB-UHFFFAOYSA-N -2 0 351.340 0.688 20 0 FCADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(C(N)=O)nn1C ZINC001185879144 851394214 /nfs/dbraw/zinc/39/42/14/851394214.db2.gz JIIOBQFEUDLBAI-UHFFFAOYSA-N -2 0 366.399 0.889 20 0 FCADRL CCOC(=O)c1nonc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186144201 851413905 /nfs/dbraw/zinc/41/39/05/851413905.db2.gz ZHDZHPABJQHAAU-UHFFFAOYSA-N -2 0 359.291 0.884 20 0 FCADRL CCc1c(NC(=O)c2ccccc2OP(=O)([O-])[O-])c(C(N)=O)nn1C ZINC001189871317 851833044 /nfs/dbraw/zinc/83/30/44/851833044.db2.gz MCUFXNHJONXUGS-UHFFFAOYSA-N -2 0 368.286 0.805 20 0 FCADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1Cc2ccnn2CC[C@H]1CO ZINC001189886449 851837326 /nfs/dbraw/zinc/83/73/26/851837326.db2.gz FZKHXFMTSXYAAQ-LBPRGKRZSA-N -2 0 367.298 0.762 20 0 FCADRL O=C([O-])c1cc(C(=O)N(CCO)CC(F)(F)F)cc(S(=O)(=O)[O-])c1 ZINC001189923898 851844809 /nfs/dbraw/zinc/84/48/09/851844809.db2.gz FQZRROLUIPLAEF-UHFFFAOYSA-N -2 0 371.289 0.628 20 0 FCADRL COC(=O)[C@@H]1C[C@H]1CNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189942242 851847221 /nfs/dbraw/zinc/84/72/21/851847221.db2.gz XEEIKKIMSNGQRQ-GXSJLCMTSA-N -2 0 357.340 0.170 20 0 FCADRL O=C([O-])CCc1ccc(S(=O)(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001192155640 852189817 /nfs/dbraw/zinc/18/98/17/852189817.db2.gz CHYFBMDHHQJARL-UHFFFAOYSA-N -3 0 353.289 0.091 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nccn3cnnc23)c(F)cc1F ZINC001195195366 852722696 /nfs/dbraw/zinc/72/26/96/852722696.db2.gz WPTQCRZXIHGEGB-UHFFFAOYSA-N -2 0 355.282 0.902 20 0 FCADRL COC(=O)/C=C/c1cccc(S(=O)(=O)NCCOP(=O)([O-])[O-])c1 ZINC001197128523 853062669 /nfs/dbraw/zinc/06/26/69/853062669.db2.gz SANGEIVRMVTULM-AATRIKPKSA-N -2 0 365.300 0.260 20 0 FCADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(N2CCOCC2)ncn1 ZINC001198739477 853310860 /nfs/dbraw/zinc/31/08/60/853310860.db2.gz VCUDGZGNEVKQPG-UHFFFAOYSA-N -2 0 364.383 0.812 20 0 FCADRL N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cc(F)c([O-])c(Cl)c1 ZINC001214482760 854952220 /nfs/dbraw/zinc/95/22/20/854952220.db2.gz MDTDZMZMTSHFHK-UHFFFAOYSA-N -2 0 365.730 0.196 20 0 FCADRL COC(=O)[C@H](OC(=O)[C@H](O)COP(=O)([O-])[O-])c1ccccc1Cl ZINC001223024116 856890945 /nfs/dbraw/zinc/89/09/45/856890945.db2.gz RYOBROAROUAKBS-NXEZZACHSA-N -2 0 368.662 0.568 20 0 FCADRL CCOC(=O)c1ccccc1CCOC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001224856512 857004453 /nfs/dbraw/zinc/00/44/53/857004453.db2.gz UVZXVOHIALPHFU-GFCCVEGCSA-N -2 0 362.271 0.419 20 0 FCADRL C[C@H](COCc1ccccc1)COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225002459 857013455 /nfs/dbraw/zinc/01/34/55/857013455.db2.gz DGBRJIHHMAYFDF-ZLDLUXBVSA-N -2 0 354.355 0.919 20 0 FCADRL Cc1nc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccc1Br ZINC001225748249 857058415 /nfs/dbraw/zinc/05/84/15/857058415.db2.gz CVUCTIPAYNXUDJ-LHLIQPBNSA-N -2 0 362.132 0.594 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(-c2csnn2)cc1)[C@@H](O)C(=O)[O-] ZINC001226014242 857077925 /nfs/dbraw/zinc/07/79/25/857077925.db2.gz UIKJQYCDEKCWRJ-BXKDBHETSA-N -2 0 352.324 0.647 20 0 FCADRL COc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(OC)c1OC ZINC001226033628 857079366 /nfs/dbraw/zinc/07/93/66/857079366.db2.gz NGUQFFOEXHWKFI-CPCISQLKSA-N -2 0 358.299 0.154 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ncnc2cc(F)cc(F)c21)[C@H](O)C(=O)[O-] ZINC001226826411 857128015 /nfs/dbraw/zinc/12/80/15/857128015.db2.gz JZEYDOFNJVQWAR-KBUNVGBDSA-N -2 0 356.237 0.350 20 0 FCADRL COC(=O)c1cccc(Cl)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001226984379 857135550 /nfs/dbraw/zinc/13/55/50/857135550.db2.gz ZETSUIRNSKZBEE-OIBJUYFYSA-N -2 0 360.702 0.568 20 0 FCADRL CCOC(=O)c1sc(C)nc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227059416 857139235 /nfs/dbraw/zinc/13/92/35/857139235.db2.gz BMDDQURDXDRQNA-POYBYMJQSA-N -2 0 361.328 0.070 20 0 FCADRL Cc1ccc2nc(=O)[n-]c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2c1 ZINC001227346385 857155799 /nfs/dbraw/zinc/15/57/99/857155799.db2.gz IVDKDMJIMYLGBQ-GZMMTYOYSA-N -3 0 350.283 0.086 20 0 FCADRL COC(=O)CCc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001227904159 857183425 /nfs/dbraw/zinc/18/34/25/857183425.db2.gz PUHINVFOJMHMRA-SMDDNHRTSA-N -2 0 354.311 0.234 20 0 FCADRL CC(=O)c1ccc2nc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])oc2c1 ZINC001228667981 857220669 /nfs/dbraw/zinc/22/06/69/857220669.db2.gz AQXKTKTXDDYGAW-PELKAZGASA-N -2 0 351.267 0.472 20 0 FCADRL COC(=O)c1scc(Cl)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228778737 857228152 /nfs/dbraw/zinc/22/81/52/857228152.db2.gz WLRWYZMEVHJGTH-FFWSUHOLSA-N -2 0 366.731 0.630 20 0 FCADRL CCC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(OC)c1 ZINC001228876960 857234455 /nfs/dbraw/zinc/23/44/55/857234455.db2.gz KOLISCNVGDAOIY-YMTOWFKASA-N -2 0 354.311 0.730 20 0 FCADRL COC(=O)c1c(F)cc(F)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228908238 857237377 /nfs/dbraw/zinc/23/73/77/857237377.db2.gz MENNGCWHYDFYJG-KGFZYKRKSA-N -2 0 362.237 0.193 20 0 FCADRL COC(=O)c1cc(Cl)c(C)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001229853878 857290153 /nfs/dbraw/zinc/29/01/53/857290153.db2.gz JAXNNXDYHNKPBG-QPUJVOFHSA-N -2 0 374.729 0.877 20 0 FCADRL COc1ccc2nc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])sc2n1 ZINC001229996791 857296598 /nfs/dbraw/zinc/29/65/98/857296598.db2.gz OWQWXSWNPRRDKK-ANLVUFKYSA-N -2 0 356.312 0.142 20 0 FCADRL CC(C)OC(=O)COc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-] ZINC001230147095 857307661 /nfs/dbraw/zinc/30/76/61/857307661.db2.gz PZHHXQQPAMXWRM-UHFFFAOYSA-N -2 0 370.357 0.216 20 0 FCADRL COc1cc(C(C)=O)c(F)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001230274256 857321861 /nfs/dbraw/zinc/32/18/61/857321861.db2.gz QUORMQSKCUSGHK-AMIZOPFISA-N -2 0 358.274 0.479 20 0 FCADRL CC(=O)CCc1ccc(O)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001230397837 857333593 /nfs/dbraw/zinc/33/35/93/857333593.db2.gz HTQABYIDWOYLTN-IINYFYTJSA-N -2 0 354.311 0.356 20 0 FCADRL O=C(Oc1[n-]c(=O)nc2c3ccccc3oc21)[C@H](O)COP(=O)([O-])[O-] ZINC001230662508 857346133 /nfs/dbraw/zinc/34/61/33/857346133.db2.gz DUMQIBNAEZEACL-SSDOTTSWSA-N -3 0 370.210 0.457 20 0 FCADRL Cc1ccc2c(c1)nc(=O)[n-]c2OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001230887853 857350836 /nfs/dbraw/zinc/35/08/36/857350836.db2.gz FLRJSKDVFLQDCM-LDYMZIIASA-N -3 0 350.283 0.086 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cnc2c(ccc(F)c2F)c1)[C@@H](O)C(=O)[O-] ZINC001231154781 857356881 /nfs/dbraw/zinc/35/68/81/857356881.db2.gz UVIVHIZCRBPAFQ-AMIZOPFISA-N -2 0 355.249 0.955 20 0 FCADRL COc1ccc(C(C)=O)c(O)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001231326749 857358714 /nfs/dbraw/zinc/35/87/14/857358714.db2.gz IASKNPLFMMNADO-PELKAZGASA-N -2 0 356.283 0.045 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(F)cc1-c1ccno1)[C@H](O)C(=O)[O-] ZINC001233815804 857391052 /nfs/dbraw/zinc/39/10/52/857391052.db2.gz ZSVKQUJXUHGKQJ-RNCFNFMXSA-N -2 0 353.258 0.923 20 0 FCADRL COC(=O)c1ccc(F)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1F ZINC001233910906 857391779 /nfs/dbraw/zinc/39/17/79/857391779.db2.gz HFDDUUCIHAZEHX-SSDOTTSWSA-N -2 0 356.170 0.127 20 0 FCADRL COC(=O)Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(Cl)c1 ZINC001233960493 857392886 /nfs/dbraw/zinc/39/28/86/857392886.db2.gz FQIKEMMZCBZTDM-OQPBUACISA-N -2 0 374.729 0.497 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1nc(Cl)nc2c1CCCC2)[C@H](O)C(=O)[O-] ZINC001234065401 857395146 /nfs/dbraw/zinc/39/51/46/857395146.db2.gz VBPTYFVYYNCCDR-XCBNKYQSSA-N -2 0 358.734 0.451 20 0 FCADRL O=C(Oc1nc(Cl)nc2c1CCCC2)[C@H](O)COP(=O)([O-])[O-] ZINC001234065409 857395313 /nfs/dbraw/zinc/39/53/13/857395313.db2.gz VDJUBZHJZAUDSG-MRVPVSSYSA-N -2 0 352.667 0.384 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cnc(F)cc1Br)[C@@H](O)C(=O)[O-] ZINC001234212151 857398700 /nfs/dbraw/zinc/39/87/00/857398700.db2.gz KTHBPCPJBXJAPW-AJAUBTJJSA-N -2 0 366.095 0.425 20 0 FCADRL COc1c(Cl)ccc(F)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234328128 857401164 /nfs/dbraw/zinc/40/11/64/857401164.db2.gz MIAHIWYYIDFDDG-ANLVUFKYSA-N -2 0 350.682 0.930 20 0 FCADRL COc1cc(F)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1Cl ZINC001234321545 857401221 /nfs/dbraw/zinc/40/12/21/857401221.db2.gz NEANSOJDUHVWRM-ULHQUTTKSA-N -2 0 350.682 0.930 20 0 FCADRL CC[C@]1(C)c2cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])ccc2N(C)C1=O ZINC001234704288 857412222 /nfs/dbraw/zinc/41/22/22/857412222.db2.gz DZRZWQQOFVNTKS-IUODEOHRSA-N -2 0 373.298 0.706 20 0 FCADRL COc1cc(OC)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1OC ZINC001234699770 857412345 /nfs/dbraw/zinc/41/23/45/857412345.db2.gz JJILYXVPHRBXBW-FUXBKTLASA-N -2 0 358.299 0.154 20 0 FCADRL Cc1ccc2c(c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])CCCC2=O ZINC001234851343 857413803 /nfs/dbraw/zinc/41/38/03/857413803.db2.gz IQZGBBBEYONBMN-FZMZJTMJSA-N -2 0 350.323 0.956 20 0 FCADRL COC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)C(F)(F)F)cc1 ZINC001252359976 857796058 /nfs/dbraw/zinc/79/60/58/857796058.db2.gz VAMDUTGDDUAQOO-UHFFFAOYSA-N -2 0 362.307 0.993 20 0 FCADRL COC(=O)c1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cn1 ZINC001260209161 858353694 /nfs/dbraw/zinc/35/36/94/858353694.db2.gz KHMILPFJGCOANU-UHFFFAOYSA-N -2 0 355.303 0.901 20 0 FCADRL CNC(=O)c1cccnc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260394059 858366251 /nfs/dbraw/zinc/36/62/51/858366251.db2.gz OUKBHFHLCDLCNU-UHFFFAOYSA-N -2 0 351.340 0.646 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)cn1 ZINC001261243831 858504950 /nfs/dbraw/zinc/50/49/50/858504950.db2.gz UASSFSGLLZHLSD-JTQLQIEISA-N -2 0 367.349 0.898 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1cccc(-n2cnnn2)c1 ZINC000322472115 970890958 /nfs/dbraw/zinc/89/09/58/970890958.db2.gz OSLOMGNMRYPWHJ-UHFFFAOYSA-N -2 0 352.357 0.618 20 0 FCADRL C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001575870018 949481595 /nfs/dbraw/zinc/48/15/95/949481595.db2.gz TWHIYGUIOISGRR-KXUCPTDWSA-N -2 0 371.405 0.055 20 0 FCADRL O=C([O-])c1cnc(C(=O)[N-]S(=O)(=O)N2CCc3ccccc3C2)cn1 ZINC001595266404 949751599 /nfs/dbraw/zinc/75/15/99/949751599.db2.gz LEKIWPLMGXRISY-UHFFFAOYSA-N -2 0 362.367 0.208 20 0 FCADRL C[C@H]1CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C[C@@H](C2CC2)O1 ZINC001570975876 950474762 /nfs/dbraw/zinc/47/47/62/950474762.db2.gz XLPDUNIVURQORS-ZANVPECISA-N -2 0 356.390 0.614 20 0 FCADRL C[C@@]1(C(F)F)CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCO1 ZINC001575614933 950562698 /nfs/dbraw/zinc/56/26/98/950562698.db2.gz WDAWYUBKSIUDLF-AWEZNQCLSA-N -2 0 366.332 0.471 20 0 FCADRL CCOC(=O)c1nc([C@H](C)NC(=O)c2cccc(OCC(=O)[O-])c2)n[n-]1 ZINC001591279078 951112345 /nfs/dbraw/zinc/11/23/45/951112345.db2.gz GZNBQIIUQWWJMM-VIFPVBQESA-N -2 0 362.342 0.936 20 0 FCADRL O=C([O-])[C@@H]1CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C[C@H]1C1CC1 ZINC001595186800 952271088 /nfs/dbraw/zinc/27/10/88/952271088.db2.gz BMJSYEKVISBNSH-QWHCGFSZSA-N -2 0 358.354 0.449 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001593369776 953363329 /nfs/dbraw/zinc/36/33/29/953363329.db2.gz VYGGTIBGMXAFDK-ZBEGNZNMSA-N -2 0 368.411 0.621 20 0 FCADRL O=C([O-])C1(CNC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CCOCC1 ZINC001594742588 953370168 /nfs/dbraw/zinc/37/01/68/953370168.db2.gz QXODRZGRFXCDEZ-SNVBAGLBSA-N -2 0 353.379 0.281 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001593706728 954150811 /nfs/dbraw/zinc/15/08/11/954150811.db2.gz HJOCMFVETRMVBP-SNVBAGLBSA-N -2 0 356.400 0.579 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1csc(=O)[nH]1 ZINC001594888334 954485194 /nfs/dbraw/zinc/48/51/94/954485194.db2.gz CCJOVEFKXHRYGO-CAHLUQPWSA-N -2 0 367.305 0.585 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCc1ccncn1 ZINC000851702963 955824593 /nfs/dbraw/zinc/82/45/93/955824593.db2.gz NRHWVXFDVAVWRA-ZYHUDNBSSA-N -2 0 374.319 0.532 20 0 FCADRL COC[C@]1(C(=O)[O-])CN(Cc2ncc(Br)cc2[O-])CCO1 ZINC001593982910 956725310 /nfs/dbraw/zinc/72/53/10/956725310.db2.gz DLQWSCVUTXHBOT-ZDUSSCGKSA-N -2 0 361.192 0.852 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CC(=O)Nc1ccccn1 ZINC001594692509 956758163 /nfs/dbraw/zinc/75/81/63/956758163.db2.gz WJWKKYBWFCKAGL-BXKDBHETSA-N -2 0 374.319 0.616 20 0 FCADRL COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)NCCC(=O)[O-])c1OC ZINC000013358772 957037530 /nfs/dbraw/zinc/03/75/30/957037530.db2.gz GHZLZHQFIFIQIV-ONEGZZNKSA-N -2 0 359.356 0.555 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC[C@H](C(=O)[O-])[C@@H](C)C3)cc2=O)n1 ZINC001594305362 957962570 /nfs/dbraw/zinc/96/25/70/957962570.db2.gz CSGYPKLZXSVFLG-CABZTGNLSA-N -2 0 359.386 0.755 20 0 FCADRL COC(=O)c1cc([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])c(F)cc1F ZINC000391787286 972372919 /nfs/dbraw/zinc/37/29/19/972372919.db2.gz UCAPJGPNSSJGOF-UHFFFAOYSA-N -2 0 361.282 0.974 20 0 FCADRL CC(=O)NCCN(C(=O)c1cccc(-c2nc(=O)o[n-]2)c1)[C@@H](C)C(=O)[O-] ZINC001588508542 958752307 /nfs/dbraw/zinc/75/23/07/958752307.db2.gz PABXOPIXLPNCMX-VIFPVBQESA-N -2 0 362.342 0.081 20 0 FCADRL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-]NC(=O)C(C)C)c1OC ZINC000210622986 959675066 /nfs/dbraw/zinc/67/50/66/959675066.db2.gz SNBKSRXLOIMVFF-WAYWQWQTSA-N -2 0 372.399 0.767 20 0 FCADRL Cc1nnc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])s1 ZINC001594491270 959711702 /nfs/dbraw/zinc/71/17/02/959711702.db2.gz OTHBUGVQNFYBNK-CBAPKCEASA-N -2 0 352.338 0.943 20 0 FCADRL C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC001574291296 960686794 /nfs/dbraw/zinc/68/67/94/960686794.db2.gz OQUGPJBNPYTANE-YUMQZZPRSA-N -2 0 360.292 0.846 20 0 FCADRL Cc1cc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c(C)nn1 ZINC001574312423 960767281 /nfs/dbraw/zinc/76/72/81/960767281.db2.gz LBRAHSHEAMGMBZ-WDEREUQCSA-N -2 0 374.319 0.830 20 0 FCADRL CC(C)(CC(=O)[O-])NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001588758200 961233747 /nfs/dbraw/zinc/23/37/47/961233747.db2.gz VPEWHSDJHGZORT-UHFFFAOYSA-N -2 0 350.343 0.613 20 0 FCADRL Cc1nnc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])s1 ZINC001574436197 961412804 /nfs/dbraw/zinc/41/28/04/961412804.db2.gz HWLHCVQXQDWQBR-BQBZGAKWSA-N -2 0 366.321 0.583 20 0 FCADRL Cc1nnc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])s1 ZINC001574436200 961412831 /nfs/dbraw/zinc/41/28/31/961412831.db2.gz HWLHCVQXQDWQBR-RQJHMYQMSA-N -2 0 366.321 0.583 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3C[C@H](C)C[C@@H](C(=O)[O-])C3)cc2=O)n1 ZINC001605158263 972849380 /nfs/dbraw/zinc/84/93/80/972849380.db2.gz ICGBHNDDJNNHBF-BXKDBHETSA-N -2 0 359.386 0.755 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3C[C@H](C(=O)[O-])CC[C@H]3C)cc2=O)n1 ZINC001605158557 972854007 /nfs/dbraw/zinc/85/40/07/972854007.db2.gz XICHNFCMEPPWFE-VXGBXAGGSA-N -2 0 359.386 0.898 20 0 FCADRL NS(=O)(=O)c1cc(NC(=O)C2(C(=O)[O-])CCSCC2)ccc1[O-] ZINC001605650270 974027105 /nfs/dbraw/zinc/02/71/05/974027105.db2.gz XWTRKGAXJUOOIE-UHFFFAOYSA-N -2 0 360.413 0.576 20 0 FCADRL CC(C)Oc1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cn1 ZINC001591761002 975845795 /nfs/dbraw/zinc/84/57/95/975845795.db2.gz GNZAWULBTQQSSU-UHFFFAOYSA-N -2 0 371.415 0.640 20 0 FCADRL CC(C)c1nc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)sc1C(=O)[O-] ZINC001592028973 976732899 /nfs/dbraw/zinc/73/28/99/976732899.db2.gz ZCXVFPYYVJRGMK-UHFFFAOYSA-N -2 0 362.371 0.988 20 0 FCADRL C[C@](CO)(CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)CC(=O)[O-] ZINC001592728206 979235037 /nfs/dbraw/zinc/23/50/37/979235037.db2.gz CRHWHEUDXUSTLC-CYBMUJFWSA-N -2 0 367.326 0.415 20 0 FCADRL C[C@H](CS(=O)(=O)N1C[C@H](c2ccccc2)[C@](F)(C(=O)[O-])C1)C(=O)[O-] ZINC001592790197 979438384 /nfs/dbraw/zinc/43/83/84/979438384.db2.gz XHNHBZSHCQQLEI-HCKVZZMMSA-N -2 0 359.375 0.929 20 0 FCADRL C[C@@H](Cc1cnn(C)c1)C(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001592909361 979873834 /nfs/dbraw/zinc/87/38/34/979873834.db2.gz WJJPARNCWIIXPF-JTQLQIEISA-N -2 0 366.399 0.770 20 0 FCADRL CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(=O)[O-] ZINC001595310100 980466262 /nfs/dbraw/zinc/46/62/62/980466262.db2.gz APTKERJXYSBYCC-BYPYZUCNSA-N -2 0 356.150 0.882 20 0 FCADRL CCCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001595523695 981349449 /nfs/dbraw/zinc/34/94/49/981349449.db2.gz PDGXHYFPORJSPQ-JTQLQIEISA-N -2 0 372.399 0.882 20 0 FCADRL CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001595546496 981411085 /nfs/dbraw/zinc/41/10/85/981411085.db2.gz DYRHCGMZJAKREI-LKFCYVNXSA-N -2 0 366.436 0.989 20 0 FCADRL CCC[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-])C(=O)[O-] ZINC001595607448 981601147 /nfs/dbraw/zinc/60/11/47/981601147.db2.gz FWJVSLPOYZJPSW-KOLCDFICSA-N -2 0 365.791 0.931 20 0 FCADRL CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C ZINC001595003814 982916943 /nfs/dbraw/zinc/91/69/43/982916943.db2.gz GOBRJUVHHVWMAV-ZJUUUORDSA-N -2 0 366.436 0.989 20 0 FCADRL CCCNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1 ZINC001595930821 983057069 /nfs/dbraw/zinc/05/70/69/983057069.db2.gz LMVVZFVHPHTQLN-UHFFFAOYSA-N -2 0 370.427 0.997 20 0 FCADRL CCCc1c(C(=O)[N-]S(=O)(=O)c2cnnn2C)[nH]c(C)c1C(=O)[O-] ZINC001596045548 983334013 /nfs/dbraw/zinc/33/40/13/983334013.db2.gz HROWAHQUTMYFSN-UHFFFAOYSA-N -2 0 355.376 0.221 20 0 FCADRL CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001596511071 984281429 /nfs/dbraw/zinc/28/14/29/984281429.db2.gz WKVJDVNNEKKTIB-UHFFFAOYSA-N -2 0 350.374 0.236 20 0 FCADRL CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001596535260 984366950 /nfs/dbraw/zinc/36/69/50/984366950.db2.gz KHVVTAGICRQRCX-LLVKDONJSA-N -2 0 369.355 0.221 20 0 FCADRL CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CC=C(C(=O)[O-])C1 ZINC001596587887 984523266 /nfs/dbraw/zinc/52/32/66/984523266.db2.gz ZFUCIMZJTWHXON-RKDXNWHRSA-N -2 0 359.322 0.963 20 0 FCADRL CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n1 ZINC001596638011 984630434 /nfs/dbraw/zinc/63/04/34/984630434.db2.gz WGFYSCBGRVAMSW-UHFFFAOYSA-N -2 0 372.334 0.479 20 0 FCADRL CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-])CC1 ZINC001596646071 984659831 /nfs/dbraw/zinc/65/98/31/984659831.db2.gz HRBHYDFARRTRJM-SECBINFHSA-N -2 0 350.393 0.164 20 0 FCADRL C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC001599900244 984808495 /nfs/dbraw/zinc/80/84/95/984808495.db2.gz FQMUXAZUIKLDDB-BQBZGAKWSA-N -2 0 369.321 0.357 20 0 FCADRL C[C@H]1C(=O)NCCCN1C(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1 ZINC001599905454 984916419 /nfs/dbraw/zinc/91/64/19/984916419.db2.gz MEGLDLVKNDKSDU-NSHDSACASA-N -2 0 372.381 0.143 20 0 FCADRL C[C@H](OC(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C)c1)C(=O)[O-] ZINC001599906421 984928560 /nfs/dbraw/zinc/92/85/60/984928560.db2.gz BJZOXLYZOIOKCR-ZETCQYMHSA-N -2 0 359.385 0.912 20 0 FCADRL CC(=O)N1CCc2ccccc2[C@H]1CC(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001589093653 985286646 /nfs/dbraw/zinc/28/66/46/985286646.db2.gz ZTXXUVGZHDIAHD-CQSZACIVSA-N -2 0 368.411 0.443 20 0 FCADRL CC(=O)N[C@@H](CCC(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001589115759 985368862 /nfs/dbraw/zinc/36/88/62/985368862.db2.gz UABFUCZPGUCMJL-NSHDSACASA-N -2 0 360.388 0.724 20 0 FCADRL C[C@H]1OCCN(S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)[C@@H]1C(=O)[O-] ZINC001599935931 985394587 /nfs/dbraw/zinc/39/45/87/985394587.db2.gz JFGIEDNKPHJRNX-HQJQHLMTSA-N -2 0 363.775 0.901 20 0 FCADRL CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001589137227 985438877 /nfs/dbraw/zinc/43/88/77/985438877.db2.gz ZALRDBGBBRMAGJ-UHFFFAOYSA-N -2 0 371.415 0.854 20 0 FCADRL CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001589152617 985473777 /nfs/dbraw/zinc/47/37/77/985473777.db2.gz FVWRACKYLLQBRO-JTQLQIEISA-N -2 0 360.388 0.642 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC2)cc1Cl ZINC001589200513 985650347 /nfs/dbraw/zinc/65/03/47/985650347.db2.gz PUDQYBQMPQLSJC-UHFFFAOYSA-N -2 0 360.775 0.968 20 0 FCADRL CC(=O)Nc1cccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001589205253 985668657 /nfs/dbraw/zinc/66/86/57/985668657.db2.gz JVZXTVMJYPWBJO-UHFFFAOYSA-N -2 0 369.399 0.416 20 0 FCADRL CC(=O)c1cccc(OCC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])c1 ZINC001589311840 986099950 /nfs/dbraw/zinc/09/99/50/986099950.db2.gz YXXMRFNLWHUFGZ-GXSJLCMTSA-N -2 0 357.384 0.823 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2scnc2C(=O)[O-])[C@H](C(=O)[O-])[C@@H](C)O1 ZINC001594562497 986334074 /nfs/dbraw/zinc/33/40/74/986334074.db2.gz UEODVXCMEXBZQT-JKMUOGBPSA-N -2 0 350.374 0.092 20 0 FCADRL C[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])n1ccc2ccccc2c1=O ZINC001589422346 986664713 /nfs/dbraw/zinc/66/47/13/986664713.db2.gz DUGAAFLWJRHRIH-LLVKDONJSA-N -2 0 366.395 0.873 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnc2)cc1 ZINC001589450147 986836851 /nfs/dbraw/zinc/83/68/51/986836851.db2.gz AYOWHZWNWOKFGV-QWRGUYRKSA-N -2 0 366.399 0.365 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC001589450224 986838426 /nfs/dbraw/zinc/83/84/26/986838426.db2.gz BUSMZQNQIUOBJH-PGKBUCCNSA-N -2 0 374.459 0.627 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccnc(N2CCCCC2)n1 ZINC001589453127 986857306 /nfs/dbraw/zinc/85/73/06/986857306.db2.gz DNQGDVXKLMYTNU-QWRGUYRKSA-N -2 0 370.431 0.636 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C)c2ccccc21 ZINC001589453232 986858636 /nfs/dbraw/zinc/85/86/36/986858636.db2.gz PCIZXNOGZRYIDV-UMNHJUIQSA-N -2 0 368.411 0.692 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1-n1cccc1 ZINC001589453702 986865275 /nfs/dbraw/zinc/86/52/75/986865275.db2.gz IFQCGQGMOKFBCS-UWVGGRQHSA-N -2 0 354.388 0.380 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CC1CCC2(CC1)OCCO2 ZINC001589453843 986867891 /nfs/dbraw/zinc/86/78/91/986867891.db2.gz RVYGVABYNIJCHR-GHMZBOCLSA-N -2 0 363.432 0.865 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CNC(=O)Nc1ccccc1 ZINC001589453959 986870804 /nfs/dbraw/zinc/87/08/04/986870804.db2.gz RYZAUKBNBYQESM-NXEZZACHSA-N -2 0 357.388 0.363 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1COC[C@@H]1c1ccccc1 ZINC001589454688 986882943 /nfs/dbraw/zinc/88/29/43/986882943.db2.gz XFFYEZCKSFKLIX-VTPLQMEGSA-N -2 0 355.412 0.972 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001589454696 986883732 /nfs/dbraw/zinc/88/37/32/986883732.db2.gz PTSARYISGCJTFQ-RKDXNWHRSA-N -2 0 354.384 0.740 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCC(=O)N2C ZINC001589454980 986888724 /nfs/dbraw/zinc/88/87/24/986888724.db2.gz TUOCGEUZWSRLGY-ZJUUUORDSA-N -2 0 368.411 0.764 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCC(=O)N2C ZINC001589454978 986888825 /nfs/dbraw/zinc/88/88/25/986888825.db2.gz TUOCGEUZWSRLGY-UWVGGRQHSA-N -2 0 368.411 0.764 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001589455327 986895558 /nfs/dbraw/zinc/89/55/58/986895558.db2.gz YEGDQSLJKQZELA-SFYZADRCSA-N -2 0 356.356 0.186 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OC(F)F)cn1 ZINC001589455413 986896594 /nfs/dbraw/zinc/89/65/94/986896594.db2.gz ZZOMAZWTLZDIAZ-BQBZGAKWSA-N -2 0 352.315 0.852 20 0 FCADRL CCOc1cn(-c2ccccc2)nc1C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001597186192 987056157 /nfs/dbraw/zinc/05/61/57/987056157.db2.gz PTIBCYUKNOBRJN-UHFFFAOYSA-N -2 0 367.383 0.805 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1nc(N2CCCC2)ncc1Cl ZINC001589491054 987057010 /nfs/dbraw/zinc/05/70/10/987057010.db2.gz HGOPZWZJMCDOED-SSDOTTSWSA-N -2 0 362.795 0.263 20 0 FCADRL CC(C)S(=O)(=O)c1cccc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c1 ZINC001589491308 987059153 /nfs/dbraw/zinc/05/91/53/987059153.db2.gz KFHYQYDSKJBNRM-VIFPVBQESA-N -2 0 363.413 0.401 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001589494360 987070759 /nfs/dbraw/zinc/07/07/59/987070759.db2.gz IZHAAZSQLCLDRG-BDAKNGLRSA-N -2 0 374.802 0.612 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1(Cc2ccccc2)CCOCC1 ZINC001589494345 987070970 /nfs/dbraw/zinc/07/09/70/987070970.db2.gz IUPLUUPHALPPTP-LBPRGKRZSA-N -2 0 355.412 0.945 20 0 FCADRL CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-] ZINC001597288696 987372737 /nfs/dbraw/zinc/37/27/37/987372737.db2.gz NLVVUEOIMLBHSH-IVZWLZJFSA-N -2 0 366.436 0.845 20 0 FCADRL CC[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001597336400 987474306 /nfs/dbraw/zinc/47/43/06/987474306.db2.gz NLVVUEOIMLBHSH-UTLUCORTSA-N -2 0 366.436 0.845 20 0 FCADRL CC[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-] ZINC001597336395 987474483 /nfs/dbraw/zinc/47/44/83/987474483.db2.gz NLVVUEOIMLBHSH-AEJSXWLSSA-N -2 0 366.436 0.845 20 0 FCADRL CC(C)(C)C(=O)NCCC(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001589690800 987754697 /nfs/dbraw/zinc/75/46/97/987754697.db2.gz CGFGWPVWEQSQTH-UHFFFAOYSA-N -2 0 371.415 0.710 20 0 FCADRL CCc1ccc(S(C)(=O)=O)cc1C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001597562550 988307945 /nfs/dbraw/zinc/30/79/45/988307945.db2.gz HMSOIHKNUBRZFH-UHFFFAOYSA-N -2 0 363.413 0.187 20 0 FCADRL CC(C)(C)OC(=O)N(CC(=O)[N-]S(=O)(=O)CCC(=O)[O-])CC1CC1 ZINC001589900540 988602474 /nfs/dbraw/zinc/60/24/74/988602474.db2.gz MZLSETBBJKRLQR-UHFFFAOYSA-N -2 0 364.420 0.554 20 0 FCADRL CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)[N-]OCCN1CCCC1=O ZINC001590274703 989687362 /nfs/dbraw/zinc/68/73/62/989687362.db2.gz NGKAOZOJAFBBQI-LLVKDONJSA-N -2 0 373.406 0.415 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)CCCNC(=O)c1cccnc1)C(=O)[O-] ZINC001590798357 990621581 /nfs/dbraw/zinc/62/15/81/990621581.db2.gz UCESEJFERBZYJD-UHFFFAOYSA-N -2 0 371.415 0.148 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@@H]1CNC(=O)c2ccccc21)C(=O)[O-] ZINC001590798428 990622242 /nfs/dbraw/zinc/62/22/42/990622242.db2.gz WYDKOBZQCBDDBH-LLVKDONJSA-N -2 0 354.384 0.070 20 0 FCADRL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)C23CC(C(=O)[O-])(C2)C3)cc1 ZINC001598156863 990646257 /nfs/dbraw/zinc/64/62/57/990646257.db2.gz ZMVOLKBHPUDZHD-UHFFFAOYSA-N -2 0 366.395 0.448 20 0 FCADRL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C(=O)OC(C)(C)C ZINC001590957705 991042660 /nfs/dbraw/zinc/04/26/60/991042660.db2.gz PLHAUQLYXHSSFB-NSHDSACASA-N -2 0 351.421 0.911 20 0 FCADRL CC(C)[C@@H](CNC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1)C(=O)[O-] ZINC001590988273 991180754 /nfs/dbraw/zinc/18/07/54/991180754.db2.gz HUOAFZXWHCCUOH-CYBMUJFWSA-N -2 0 365.386 0.908 20 0 FCADRL CN(CC(=O)[O-])S(=O)(=O)c1ccc(Br)cc1C(=O)[O-] ZINC001598418032 991745872 /nfs/dbraw/zinc/74/58/72/991745872.db2.gz MMKBJOXVZPHRIE-UHFFFAOYSA-N -2 0 352.162 0.852 20 0 FCADRL COc1ncnc(N(C)C)c1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001599738303 991809128 /nfs/dbraw/zinc/80/91/28/991809128.db2.gz CWGMMLLASVZLML-UHFFFAOYSA-N -2 0 356.364 0.082 20 0 FCADRL CN(CCC(=O)[O-])C(=O)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001598469365 992000442 /nfs/dbraw/zinc/00/04/42/992000442.db2.gz CUOHQKCFLJGFOB-CYBMUJFWSA-N -2 0 350.371 0.888 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1ccccc1 ZINC001598479793 992130187 /nfs/dbraw/zinc/13/01/87/992130187.db2.gz FGUPPZAVPUSBMH-AAEUAGOBSA-N -2 0 374.440 0.839 20 0 FCADRL CS(=O)(=O)c1ccnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001599774056 992280594 /nfs/dbraw/zinc/28/05/94/992280594.db2.gz RDNKXFNAYAFYJG-UHFFFAOYSA-N -2 0 356.381 0.984 20 0 FCADRL CS(=O)(=O)c1ccnc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC001599774168 992281354 /nfs/dbraw/zinc/28/13/54/992281354.db2.gz VBIDKDGILLVZEU-UHFFFAOYSA-N -2 0 363.398 0.441 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)cc1=O ZINC001591504908 992648451 /nfs/dbraw/zinc/64/84/51/992648451.db2.gz CJSHLKJWFPZZTP-XYEKJYRLSA-N -2 0 365.430 0.904 20 0 FCADRL CN1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1=O ZINC001598580057 993328266 /nfs/dbraw/zinc/32/82/66/993328266.db2.gz ZRFUMGWBVJKBHC-LBPRGKRZSA-N -2 0 354.384 0.199 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)c(OC)c1C(=O)[O-] ZINC001599609364 993930426 /nfs/dbraw/zinc/93/04/26/993930426.db2.gz AJQRTQZTAORMHS-RKDXNWHRSA-N -2 0 373.383 0.886 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC(=O)C2)c(CC(=O)[O-])c1 ZINC001599611128 993955937 /nfs/dbraw/zinc/95/59/37/993955937.db2.gz CDKHZMHIKCQIDI-VIFPVBQESA-N -2 0 355.368 0.496 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)C2)c(CC(=O)[O-])c1 ZINC001599611127 993956069 /nfs/dbraw/zinc/95/60/69/993956069.db2.gz CDKHZMHIKCQIDI-SECBINFHSA-N -2 0 355.368 0.496 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2O[C@H](C)C[C@@H]2C)c(CC(=O)[O-])c1 ZINC001599611764 993963815 /nfs/dbraw/zinc/96/38/15/993963815.db2.gz QNJBDAVQUBTSBJ-FEUHOPSXSA-N -2 0 371.411 0.941 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2O[C@H](C)C[C@H]2C)c(CC(=O)[O-])c1 ZINC001599611767 993964214 /nfs/dbraw/zinc/96/42/14/993964214.db2.gz QNJBDAVQUBTSBJ-IQMDTDKHSA-N -2 0 371.411 0.941 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(=O)[O-])c2)cc1OC ZINC001599612153 993969108 /nfs/dbraw/zinc/96/91/08/993969108.db2.gz VDPWASLRAAYUMM-UHFFFAOYSA-N -2 0 354.340 0.849 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1cccs1 ZINC001593179395 994062973 /nfs/dbraw/zinc/06/29/73/994062973.db2.gz RAEHRNQJTHCTLA-HRDYMLBCSA-N -2 0 362.429 0.422 20 0 FCADRL CNC(=O)c1cccc(CCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC001598659941 994579404 /nfs/dbraw/zinc/57/94/04/994579404.db2.gz FZMOAUMTIDCSDZ-QWRGUYRKSA-N -2 0 370.427 0.534 20 0 FCADRL COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC001598695201 995125908 /nfs/dbraw/zinc/12/59/08/995125908.db2.gz PZWDIWXWFHLPFJ-SNVBAGLBSA-N -2 0 359.356 0.296 20 0 FCADRL COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccccc1 ZINC001598701393 995227393 /nfs/dbraw/zinc/22/73/93/995227393.db2.gz CZQUZXQXFYMVJM-JTQLQIEISA-N -2 0 354.340 0.608 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]1CCCCO1 ZINC001593606813 995786968 /nfs/dbraw/zinc/78/69/68/995786968.db2.gz YQOYNSLAIXJPIM-KXNHARMFSA-N -2 0 351.421 0.516 20 0 FCADRL COC(=O)CCS(=O)(=O)[N-]C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC001598853947 996624456 /nfs/dbraw/zinc/62/44/56/996624456.db2.gz SWUJMDAOLXJTFI-UHFFFAOYSA-N -2 0 373.383 0.390 20 0 FCADRL COC(=O)CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1C)C(=O)[O-] ZINC001598857260 996648209 /nfs/dbraw/zinc/64/82/09/996648209.db2.gz BVULJCKWJNOHQD-SNVBAGLBSA-N -2 0 359.356 0.378 20 0 FCADRL COC(=O)CC[C@@H](NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC001598857304 996648594 /nfs/dbraw/zinc/64/85/94/996648594.db2.gz GFUHMWYJJQFWSM-LLVKDONJSA-N -2 0 359.356 0.211 20 0 FCADRL COc1ccc(C(=O)NCC[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001599484320 996819577 /nfs/dbraw/zinc/81/95/77/996819577.db2.gz NEVSXRUSAVZBLM-UHFFFAOYSA-N -2 0 369.355 0.090 20 0 FCADRL CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)C1 ZINC001599073840 996823908 /nfs/dbraw/zinc/82/39/08/996823908.db2.gz TUMIAPRULJOREN-ZDUSSCGKSA-N -2 0 364.276 0.774 20 0 FCADRL COc1ccc(C(=O)[O-])c(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1 ZINC001599486640 996861111 /nfs/dbraw/zinc/86/11/11/996861111.db2.gz CHPYFCMMMZJXSI-LLVKDONJSA-N -2 0 352.343 0.805 20 0 FCADRL COC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001598884682 996871226 /nfs/dbraw/zinc/87/12/26/996871226.db2.gz IHQNOGGSBWTLAB-LBPRGKRZSA-N -2 0 372.399 0.960 20 0 FCADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001599382306 996877361 /nfs/dbraw/zinc/87/73/61/996877361.db2.gz PRHHJZVVUVGBLZ-UHFFFAOYSA-N -2 0 372.399 0.174 20 0 FCADRL COC[C@H](NS(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C)C(=O)[O-] ZINC001599178427 996898432 /nfs/dbraw/zinc/89/84/32/996898432.db2.gz QHKAXAMFTQUABV-YFKPBYRVSA-N -2 0 357.793 0.786 20 0 FCADRL COc1cc(C)c([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c(C(=O)[O-])c1 ZINC001599392085 997055851 /nfs/dbraw/zinc/05/58/51/997055851.db2.gz PMZZYNCPXZDNOD-UHFFFAOYSA-N -3 0 369.355 0.784 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1[C@H](C(=O)[O-])CS[C@H]1C ZINC001599501258 997124790 /nfs/dbraw/zinc/12/47/90/997124790.db2.gz IPZBIHQCRNMSBO-CBAPKCEASA-N -2 0 361.397 0.930 20 0 FCADRL COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)N(C)CCC(=O)[O-])c1OC ZINC001599397703 997157924 /nfs/dbraw/zinc/15/79/24/997157924.db2.gz JMTVHSKLLQRGPR-SNAWJCMRSA-N -2 0 373.383 0.897 20 0 FCADRL COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])C1 ZINC001599195044 997199634 /nfs/dbraw/zinc/19/96/34/997199634.db2.gz PACTVGUBNDOOTN-AWEZNQCLSA-N -2 0 361.347 0.636 20 0 FCADRL CO[C@@H]1CCC[C@H]([C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C(=O)[O-])C1 ZINC001599105550 997469858 /nfs/dbraw/zinc/46/98/58/997469858.db2.gz GMLWIKRQQZHMQU-HOSYDEDBSA-N -2 0 356.379 0.244 20 0 FCADRL CO[C@@H]1CCC[C@@H]([C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C(=O)[O-])C1 ZINC001599105548 997470530 /nfs/dbraw/zinc/47/05/30/997470530.db2.gz GMLWIKRQQZHMQU-FOGDFJRCSA-N -2 0 356.379 0.244 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N(C)CC(C)(C)C(=O)[O-])c1 ZINC001598920985 997562596 /nfs/dbraw/zinc/56/25/96/997562596.db2.gz RPQYBXREKHKNFW-UHFFFAOYSA-N -2 0 373.383 0.903 20 0 FCADRL COc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)ccc1C(=O)[O-] ZINC001599428155 997712210 /nfs/dbraw/zinc/71/22/10/997712210.db2.gz GZBRLMQIGYIRIE-MWLCHTKSSA-N -2 0 364.354 0.901 20 0 FCADRL CC(C)(CS(=O)(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)C(=O)[O-] ZINC001594051561 997743164 /nfs/dbraw/zinc/74/31/64/997743164.db2.gz GOBKGUBWNLBFKX-LLVKDONJSA-N -2 0 360.354 0.570 20 0 FCADRL CC(C)(CS(=O)(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)C(=O)[O-] ZINC001594051562 997743857 /nfs/dbraw/zinc/74/38/57/997743857.db2.gz GOBKGUBWNLBFKX-NSHDSACASA-N -2 0 360.354 0.570 20 0 FCADRL C[C@]1([N-]C(=O)C(F)(F)F)CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001594051692 997746814 /nfs/dbraw/zinc/74/68/14/997746814.db2.gz JWUSRWZZVAIYND-PTRXPTGYSA-N -2 0 372.365 0.712 20 0 FCADRL COc1ccc(CN(C)C(=O)CS(=O)(=O)c2ncc(C(=O)[O-])[n-]2)cc1 ZINC001599556789 998107194 /nfs/dbraw/zinc/10/71/94/998107194.db2.gz LRRJJUSMQCNVMH-UHFFFAOYSA-N -2 0 367.383 0.549 20 0 FCADRL COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001599143973 998180222 /nfs/dbraw/zinc/18/02/22/998180222.db2.gz OFLISYNIGXCJMC-SSDOTTSWSA-N -2 0 353.299 0.383 20 0 FCADRL COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001599144156 998182585 /nfs/dbraw/zinc/18/25/85/998182585.db2.gz XKHKNKCFTXENLF-LLVKDONJSA-N -2 0 368.367 0.653 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-][C@@](C)(CC(=O)[O-])c2ccccn2)on1 ZINC001598954303 998211768 /nfs/dbraw/zinc/21/17/68/998211768.db2.gz SORQRKVPCSUCNR-AWEZNQCLSA-N -2 0 369.355 0.525 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCOC2)C(=O)[O-])on1 ZINC001598954237 998211939 /nfs/dbraw/zinc/21/19/39/998211939.db2.gz QAXIJQIIPQTCNW-IUCAKERBSA-N -2 0 362.360 0.009 20 0 FCADRL COCCOc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001599258659 998348741 /nfs/dbraw/zinc/34/87/41/998348741.db2.gz HNCDIMGTFPYGFE-UHFFFAOYSA-N -2 0 351.764 0.509 20 0 FCADRL COC[C@](C)([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1)C(=O)[O-] ZINC001599155558 998367117 /nfs/dbraw/zinc/36/71/17/998367117.db2.gz WSZCOFUQUPUEQM-LAJNKCICSA-N -2 0 350.418 0.467 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC001598963248 998370849 /nfs/dbraw/zinc/37/08/49/998370849.db2.gz IMZCRJGZECJBFD-NSHDSACASA-N -2 0 371.367 0.799 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)c1 ZINC001598963274 998371051 /nfs/dbraw/zinc/37/10/51/998371051.db2.gz JBMIKRJZSRMSRF-LLVKDONJSA-N -2 0 371.367 0.703 20 0 FCADRL C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001594137919 998397971 /nfs/dbraw/zinc/39/79/71/998397971.db2.gz ZALBDRIVXRHTIF-RKDXNWHRSA-N -2 0 350.393 0.163 20 0 FCADRL COCCOc1cncc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001599262189 998404642 /nfs/dbraw/zinc/40/46/42/998404642.db2.gz VFOWSAJYOOZMPN-ZJUUUORDSA-N -2 0 360.388 0.276 20 0 FCADRL COCCOc1cncc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1 ZINC001599262172 998405017 /nfs/dbraw/zinc/40/50/17/998405017.db2.gz UHABBFOMYCKVKW-UHFFFAOYSA-N -2 0 360.388 0.277 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001598970889 998512353 /nfs/dbraw/zinc/51/23/53/998512353.db2.gz WKTHIYDMNGARSH-JTQLQIEISA-N -2 0 369.351 0.623 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC001598970913 998512508 /nfs/dbraw/zinc/51/25/08/998512508.db2.gz WVHHQEYHFBNZQR-SCZZXKLOSA-N -2 0 369.351 0.479 20 0 FCADRL COc1ccc(Br)cc1C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001599476656 998543668 /nfs/dbraw/zinc/54/36/68/998543668.db2.gz FQYJFXIVARKPHB-UHFFFAOYSA-N -2 0 366.189 0.992 20 0 FCADRL COCCn1cc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c(C)n1 ZINC001599270950 998545044 /nfs/dbraw/zinc/54/50/44/998545044.db2.gz BLVCTNSIWARKCL-UHFFFAOYSA-N -2 0 371.371 0.556 20 0 FCADRL COCCn1cc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c2ccccc21 ZINC001599271456 998551114 /nfs/dbraw/zinc/55/11/14/998551114.db2.gz KWGFWYDJHBCZCD-UHFFFAOYSA-N -2 0 354.384 0.822 20 0 FCADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)C1 ZINC001594211093 998821456 /nfs/dbraw/zinc/82/14/56/998821456.db2.gz YTYQZVKPCSPPLV-UPJWGTAASA-N -2 0 368.430 0.905 20 0 FCADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCc2ccc(C(=O)[O-])cc2)C1 ZINC001594211118 998821805 /nfs/dbraw/zinc/82/18/05/998821805.db2.gz YWUVCMAALMFAOZ-RISCZKNCSA-N -2 0 362.382 0.613 20 0 FCADRL CO[C@H](CS(=O)(=O)[N-]c1n[nH]c(CC(=O)[O-])n1)c1ccc(F)cc1 ZINC001599056785 999235831 /nfs/dbraw/zinc/23/58/31/999235831.db2.gz DRQQGJQRPXSWDS-SNVBAGLBSA-N -2 0 358.351 0.700 20 0 FCADRL C[C@H]1CCCN(c2cc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])ccn2)C1 ZINC001594389910 999477765 /nfs/dbraw/zinc/47/77/65/999477765.db2.gz YDUIUVQVJGGQJD-NSHDSACASA-N -2 0 355.416 0.852 20 0 FCADRL C[C@H]1CCN(C(=O)C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C[C@H]1C(=O)[O-] ZINC001594393705 999483373 /nfs/dbraw/zinc/48/33/73/999483373.db2.gz PVZALFUICCQRBN-XHDPSFHLSA-N -2 0 374.393 0.839 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2=O)C(=O)[O-] ZINC000296779123 214363368 /nfs/dbraw/zinc/36/33/68/214363368.db2.gz ACRCFVFVJCDASI-JTQLQIEISA-N -2 0 355.368 0.659 20 0 FCADRL CO[C@H](CS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000296895937 214369014 /nfs/dbraw/zinc/36/90/14/214369014.db2.gz IWWHRHQFYHGRAJ-MELADBBJSA-N -2 0 371.411 0.811 20 0 FCADRL CCOC(=O)c1ccc(CS(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000296913598 214370189 /nfs/dbraw/zinc/37/01/89/214370189.db2.gz KDOUCMBWDHTUMF-LBPRGKRZSA-N -2 0 373.383 0.601 20 0 FCADRL O=C([O-])CCC[C@@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)[O-] ZINC000281813487 212765591 /nfs/dbraw/zinc/76/55/91/212765591.db2.gz JONZFYQWLVUUPX-MRVPVSSYSA-N -2 0 359.385 0.678 20 0 FCADRL CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])s1 ZINC000275314530 212005777 /nfs/dbraw/zinc/00/57/77/212005777.db2.gz RQHFXDUQYGDUKB-VIFPVBQESA-N -2 0 370.399 0.813 20 0 FCADRL CCOc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1 ZINC000275206177 211983754 /nfs/dbraw/zinc/98/37/54/211983754.db2.gz ZGTORGJBDXLPED-QWHCGFSZSA-N -2 0 357.384 0.881 20 0 FCADRL C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@@](CC(=O)[O-])(C(=O)[O-])C3)ccc2O1 ZINC000275141365 211970516 /nfs/dbraw/zinc/97/05/16/211970516.db2.gz QISCPJVPXLTYDQ-HWPZZCPQSA-N -2 0 369.395 0.950 20 0 FCADRL CC(=O)c1ccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cc1 ZINC000275098984 211962392 /nfs/dbraw/zinc/96/23/92/211962392.db2.gz LGZFACJVXKSLAJ-HNNXBMFYSA-N -2 0 355.368 0.829 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)C[C@@H]1C(=O)[O-] ZINC000275083828 211960244 /nfs/dbraw/zinc/96/02/44/211960244.db2.gz JDOKVXTYEHCMDD-OLZOCXBDSA-N -2 0 369.395 0.808 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc3c2OCCO3)C1 ZINC000274956903 211937635 /nfs/dbraw/zinc/93/76/35/211937635.db2.gz BABYMTJGCOERCV-HNNXBMFYSA-N -2 0 371.367 0.398 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)cs1 ZINC000443406614 248324446 /nfs/dbraw/zinc/32/44/46/248324446.db2.gz FLQCHIJBQNEJKJ-UHFFFAOYSA-N -3 0 367.368 0.928 20 0 FCADRL Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(=O)n(C)c1 ZINC000481599134 250343806 /nfs/dbraw/zinc/34/38/06/250343806.db2.gz OXCLXKRUBKJTKB-UHFFFAOYSA-N -2 0 366.351 0.891 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000105642296 208203344 /nfs/dbraw/zinc/20/33/44/208203344.db2.gz HKLBTYUALBVMOA-BYPYZUCNSA-N -2 0 358.191 0.717 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc1 ZINC000278563506 488881743 /nfs/dbraw/zinc/88/17/43/488881743.db2.gz BSBCJZKFUZTJBO-GFCCVEGCSA-N -2 0 373.383 0.850 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc1C ZINC000278780241 488895320 /nfs/dbraw/zinc/89/53/20/488895320.db2.gz UGIZJKLFHLDMHL-GFCCVEGCSA-N -2 0 373.383 0.768 20 0 FCADRL NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000316324034 488897364 /nfs/dbraw/zinc/89/73/64/488897364.db2.gz OCGGNFAOELPHDQ-UHFFFAOYSA-N -2 0 362.410 0.895 20 0 FCADRL Cc1cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000324194402 488904843 /nfs/dbraw/zinc/90/48/43/488904843.db2.gz LFESSWLBCJQDQS-SNVBAGLBSA-N -2 0 360.344 0.808 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1C ZINC000325284567 488909340 /nfs/dbraw/zinc/90/93/40/488909340.db2.gz POAUAGKYRUWZKN-RYUDHWBXSA-N -2 0 357.384 0.800 20 0 FCADRL CCOc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1OCC ZINC000325889041 488912317 /nfs/dbraw/zinc/91/23/17/488912317.db2.gz RFZIXPDROGOCQE-JTQLQIEISA-N -2 0 361.372 0.690 20 0 FCADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(=O)[O-])cc2)c1 ZINC000325719757 488911554 /nfs/dbraw/zinc/91/15/54/488911554.db2.gz TZGNYIRHSLGGCF-UHFFFAOYSA-N -2 0 352.372 0.518 20 0 FCADRL NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000325851754 488912080 /nfs/dbraw/zinc/91/20/80/488912080.db2.gz JOTOQKBKUBMGCV-UHFFFAOYSA-N -2 0 374.371 0.972 20 0 FCADRL COCCOc1cc([N-]S(=O)(=O)c2cn[nH]c2)c(C(=O)[O-])cc1OC ZINC000048232316 488064005 /nfs/dbraw/zinc/06/40/05/488064005.db2.gz AIFDGYUXCKQOHV-UHFFFAOYSA-N -2 0 371.371 0.943 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)n1 ZINC000067890930 488357665 /nfs/dbraw/zinc/35/76/65/488357665.db2.gz NXZRTCCTYYNLGA-UHFFFAOYSA-N -2 0 369.355 0.569 20 0 FCADRL CCN(CC(=O)[O-])C(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O ZINC000261954087 488543582 /nfs/dbraw/zinc/54/35/82/488543582.db2.gz QIGSBCGBDALDAW-UHFFFAOYSA-N -2 0 357.388 0.563 20 0 FCADRL CC1(C)Cc2cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])ccc2O1 ZINC000274920264 488744147 /nfs/dbraw/zinc/74/41/47/488744147.db2.gz BBNHWVMKQVUCOP-SNVBAGLBSA-N -2 0 357.384 0.854 20 0 FCADRL CC(=O)N1CCCc2ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc21 ZINC000274940456 488746024 /nfs/dbraw/zinc/74/60/24/488746024.db2.gz QUYKRQAKHLPEQH-GFCCVEGCSA-N -2 0 370.383 0.192 20 0 FCADRL O=C([O-])C1CCC(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000274949366 488746924 /nfs/dbraw/zinc/74/69/24/488746924.db2.gz SLDWBXUXSBKRAO-UHFFFAOYSA-N -2 0 368.371 0.358 20 0 FCADRL CCCOC(=O)c1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000274952283 488747244 /nfs/dbraw/zinc/74/72/44/488747244.db2.gz IBWGHNZKVQEYOQ-LLVKDONJSA-N -2 0 373.383 0.707 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-] ZINC000274963456 488748470 /nfs/dbraw/zinc/74/84/70/488748470.db2.gz JKACDQYKYVGRIC-MRVPVSSYSA-N -2 0 374.346 0.164 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)Cc1cccc2cccnc21)C(=O)[O-] ZINC000275027466 488754524 /nfs/dbraw/zinc/75/45/24/488754524.db2.gz SVUFLGGOIAVUCN-GFCCVEGCSA-N -2 0 352.368 0.830 20 0 FCADRL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)C(=O)[O-] ZINC000275037404 488755519 /nfs/dbraw/zinc/75/55/19/488755519.db2.gz QSIHCCFAQYKILC-SSDOTTSWSA-N -2 0 350.374 0.030 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)C[C@H]1C(=O)[O-] ZINC000275069291 488758684 /nfs/dbraw/zinc/75/86/84/488758684.db2.gz GTLYJPIZLGSTNR-HTQZYQBOSA-N -2 0 367.301 0.900 20 0 FCADRL CCn1nc(C)c(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)c1C ZINC000275080577 488759358 /nfs/dbraw/zinc/75/93/58/488759358.db2.gz IOQROKISSSNRCK-AWEZNQCLSA-N -2 0 359.404 0.460 20 0 FCADRL CC[C@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000275133469 488765072 /nfs/dbraw/zinc/76/50/72/488765072.db2.gz PJAMUBXPIQFCJD-XVKPBYJWSA-N -2 0 370.387 0.556 20 0 FCADRL COC(=O)c1coc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)c1 ZINC000275151588 488766834 /nfs/dbraw/zinc/76/68/34/488766834.db2.gz RRFJDEMMWPJEQO-ZDUSSCGKSA-N -2 0 361.328 0.006 20 0 FCADRL COc1ccc(C)cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000275173249 488768693 /nfs/dbraw/zinc/76/86/93/488768693.db2.gz VUFHLSLXJKVPBB-GHMZBOCLSA-N -2 0 357.384 0.800 20 0 FCADRL C[C@@H]1CCC[C@H](C(=O)[O-])N1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000275202664 488772052 /nfs/dbraw/zinc/77/20/52/488772052.db2.gz ZCXBMCZNOIRZRK-GMSGAONNSA-N -2 0 368.371 0.452 20 0 FCADRL C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161790152 488799063 /nfs/dbraw/zinc/79/90/63/488799063.db2.gz VXGDFTFFNSPOGH-CDUCUWFYSA-N -2 0 356.169 0.701 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000281528745 489083388 /nfs/dbraw/zinc/08/33/88/489083388.db2.gz HSHOVISHTFQBSH-UHFFFAOYSA-N -2 0 358.280 0.351 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2cn3c(n2)CCCC3)CC[C@@H]1C(=O)[O-] ZINC000372260966 489564404 /nfs/dbraw/zinc/56/44/04/489564404.db2.gz KQBKNEHCKQUZAN-UWVGGRQHSA-N -2 0 357.388 0.015 20 0 FCADRL CC(C)(C)c1cc(CS(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)no1 ZINC000563712921 491265036 /nfs/dbraw/zinc/26/50/36/491265036.db2.gz FCEJMHPOLDBXKL-QWRGUYRKSA-N -2 0 374.415 0.909 20 0 FCADRL CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000417369318 489650390 /nfs/dbraw/zinc/65/03/90/489650390.db2.gz QRUZEIZIWORJCR-MQYQWHSLSA-N -2 0 374.393 0.886 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)c[nH]1 ZINC000430979944 489783120 /nfs/dbraw/zinc/78/31/20/489783120.db2.gz QLCVZTSWDIJPPF-UHFFFAOYSA-N -3 0 350.316 0.195 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCO3)cc1C(N)=O ZINC000491149647 489796571 /nfs/dbraw/zinc/79/65/71/489796571.db2.gz UIXHFJVYMYSAGF-UHFFFAOYSA-N -2 0 367.339 0.352 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)n1 ZINC000433516023 489890038 /nfs/dbraw/zinc/89/00/38/489890038.db2.gz FJIJGCNDAVCHPD-UHFFFAOYSA-N -2 0 355.328 0.261 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cn1 ZINC000506675965 490124261 /nfs/dbraw/zinc/12/42/61/490124261.db2.gz NMIHUIQDDRXMGX-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL COC(=O)c1cccc(CS(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000391800800 490144975 /nfs/dbraw/zinc/14/49/75/490144975.db2.gz CFXNLLDMTIKGQS-LLVKDONJSA-N -2 0 359.356 0.211 20 0 FCADRL CN(c1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)S(C)(=O)=O ZINC000466293585 490176176 /nfs/dbraw/zinc/17/61/76/490176176.db2.gz ORNZKZMRINZUGQ-UHFFFAOYSA-N -2 0 373.412 0.910 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cn1 ZINC000466352763 490176990 /nfs/dbraw/zinc/17/69/90/490176990.db2.gz ODUQYZARXWQLIN-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)NCCc1nc(=O)o[n-]1 ZINC000447632598 490248226 /nfs/dbraw/zinc/24/82/26/490248226.db2.gz LYZONEANKRWMBJ-UHFFFAOYSA-N -2 0 360.779 0.360 20 0 FCADRL Cn1cnc2cc(S(=O)(=O)N3CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C3)ccc21 ZINC000547602168 490327666 /nfs/dbraw/zinc/32/76/66/490327666.db2.gz POOVQRJLUFGELA-WDEREUQCSA-N -2 0 367.383 0.369 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c(C)o1 ZINC000547612952 490330290 /nfs/dbraw/zinc/33/02/90/490330290.db2.gz TZQHTMNLMAHZHO-ZDUSSCGKSA-N -2 0 363.344 0.219 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(=O)[O-])c2)c[nH]1 ZINC000547870595 490368812 /nfs/dbraw/zinc/36/88/12/490368812.db2.gz FBQYHZFIWPMSIS-UHFFFAOYSA-N -3 0 368.323 0.999 20 0 FCADRL COC(=O)c1cc(F)c(C)c(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000547873309 490372811 /nfs/dbraw/zinc/37/28/11/490372811.db2.gz FLBFSKGYICGYLE-VIFPVBQESA-N -2 0 363.319 0.127 20 0 FCADRL CCOC(=O)c1cc(F)cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000547877567 490373766 /nfs/dbraw/zinc/37/37/66/490373766.db2.gz YQUCPOINHQLBHO-SNVBAGLBSA-N -2 0 363.319 0.209 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1cccc(Br)c1)C(=O)[O-] ZINC000547897968 490380335 /nfs/dbraw/zinc/38/03/35/490380335.db2.gz FXGAVAKLHOMWHH-SSDOTTSWSA-N -2 0 366.189 0.903 20 0 FCADRL C[C@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000547897904 490380942 /nfs/dbraw/zinc/38/09/42/490380942.db2.gz DMGURWOQUYEVOX-OTYXRUKQSA-N -2 0 368.371 0.358 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)COC3)C[C@H]1C(=O)[O-] ZINC000547921219 490386799 /nfs/dbraw/zinc/38/67/99/490386799.db2.gz GDLCKZOPZFMRRB-CHWSQXEVSA-N -2 0 355.368 0.513 20 0 FCADRL CC(=O)N(C)c1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000548216993 490442228 /nfs/dbraw/zinc/44/22/28/490442228.db2.gz KGSHBIHFNQIXOF-JTQLQIEISA-N -2 0 358.372 0.123 20 0 FCADRL CCc1oc(C(=O)OC)cc1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000548215494 490442616 /nfs/dbraw/zinc/44/26/16/490442616.db2.gz OMRYCZKAVXPMKU-SSDOTTSWSA-N -2 0 363.344 0.082 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1cnn(-c2ccccc2F)c1)C(=O)[O-] ZINC000548222394 490443583 /nfs/dbraw/zinc/44/35/83/490443583.db2.gz LZANXHQBDUFBCP-SECBINFHSA-N -2 0 371.346 0.465 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]3C2)C[C@H]1C(=O)[O-] ZINC000548251013 490450470 /nfs/dbraw/zinc/45/04/70/490450470.db2.gz CBVABRBOXMGIKR-REWJHTLYSA-N -2 0 374.459 0.851 20 0 FCADRL COC(=O)c1ccccc1CS(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000548261324 490452836 /nfs/dbraw/zinc/45/28/36/490452836.db2.gz AZFFCZUQIUAOOI-HNNXBMFYSA-N -2 0 373.383 0.458 20 0 FCADRL C[C@H]1C(=O)Nc2ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc21 ZINC000548267626 490454143 /nfs/dbraw/zinc/45/41/43/490454143.db2.gz OIFRXWMDSVIYFW-ANRSDYALSA-N -2 0 370.383 0.586 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)nc2)ccc1OCC(=O)[O-] ZINC000536666191 490605408 /nfs/dbraw/zinc/60/54/08/490605408.db2.gz LDLSUHCRYAWDMX-UHFFFAOYSA-N -2 0 365.367 0.753 20 0 FCADRL O=C([O-])CNC(=O)CC[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000565057057 491348942 /nfs/dbraw/zinc/34/89/42/491348942.db2.gz YCBDOAGTMZXZMH-UHFFFAOYSA-N -2 0 358.269 0.112 20 0 FCADRL Cc1n[nH]c(C(=O)N[C@H](CN(C)C(=O)c2n[nH]c(C)c2[O-])C(C)C)c1[O-] ZINC000683118526 493334178 /nfs/dbraw/zinc/33/41/78/493334178.db2.gz TWCFWYQGDKHHHB-SNVBAGLBSA-N -2 0 364.406 0.687 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1C ZINC000504279135 490793646 /nfs/dbraw/zinc/79/36/46/490793646.db2.gz JDVPZLLAKXKITR-UHFFFAOYSA-N -2 0 370.362 0.576 20 0 FCADRL NC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC000515615416 490832967 /nfs/dbraw/zinc/83/29/67/490832967.db2.gz UAULJEWHGFFNTO-UHFFFAOYSA-N -2 0 364.335 0.983 20 0 FCADRL CNS(=O)(=O)c1cc(C(=O)Nc2cc(C(=O)OC)ccc2O)co1 ZINC000505749132 490838589 /nfs/dbraw/zinc/83/85/89/490838589.db2.gz GIOUOFCSTQBXIK-UHFFFAOYSA-N -2 0 354.340 0.932 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cs1 ZINC000614327609 492024436 /nfs/dbraw/zinc/02/44/36/492024436.db2.gz HMGFJFDKAUQNHA-SSDOTTSWSA-N -2 0 351.358 0.131 20 0 FCADRL COc1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c(Cl)c1 ZINC000575215598 491546274 /nfs/dbraw/zinc/54/62/74/491546274.db2.gz VDLVVXDFIOYWRS-SSDOTTSWSA-N -2 0 351.764 0.802 20 0 FCADRL Cc1ccc(-c2cc(=NC(=O)C(=O)N=c3ncn(C(C)(C)C)[n-]3)[nH][n-]2)o1 ZINC000568037899 491549407 /nfs/dbraw/zinc/54/94/07/491549407.db2.gz IQHLSOSQZUVCAI-UHFFFAOYSA-N -2 0 357.374 0.746 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)CCC1Cc2ccccc2C1)C(=O)[O-] ZINC000575751293 491558359 /nfs/dbraw/zinc/55/83/59/491558359.db2.gz ADORUEIQALPHSM-CQSZACIVSA-N -2 0 355.412 0.886 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1cccc2c1OC(F)(F)O2)C(=O)[O-] ZINC000575850412 491564817 /nfs/dbraw/zinc/56/48/17/491564817.db2.gz XAYURGXYPANYGY-YFKPBYRVSA-N -2 0 353.255 0.214 20 0 FCADRL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000568634081 491595816 /nfs/dbraw/zinc/59/58/16/491595816.db2.gz LLOPGLSRKJFLJJ-SCSAIBSYSA-N -3 0 359.253 0.697 20 0 FCADRL COc1cc(C(=O)N(C)C[C@H](C)C(=O)[O-])cc([N-]S(C)(=O)=O)c1OC ZINC000577849988 491656778 /nfs/dbraw/zinc/65/67/78/491656778.db2.gz QNMIEJDVVWVPRQ-VIFPVBQESA-N -2 0 374.415 0.868 20 0 FCADRL CCN(C)C(=O)c1cccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000584857116 491717482 /nfs/dbraw/zinc/71/74/82/491717482.db2.gz CDIFCRKURJJKTO-NSHDSACASA-N -2 0 372.399 0.232 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(=O)[O-])cc2)cn1 ZINC000589428310 491761847 /nfs/dbraw/zinc/76/18/47/491761847.db2.gz RNPJOJZKOWSGTA-UHFFFAOYSA-N -2 0 366.399 0.908 20 0 FCADRL O=C([O-])[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000581884326 491788966 /nfs/dbraw/zinc/78/89/66/491788966.db2.gz FGCSITUKYDTZFO-SCZZXKLOSA-N -2 0 368.371 0.358 20 0 FCADRL CC[C@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000647629301 492338865 /nfs/dbraw/zinc/33/88/65/492338865.db2.gz JLJFMCNCDLATDN-OIBJUYFYSA-N -2 0 368.371 0.452 20 0 FCADRL O=c1[n-]nnn1-c1ccc([N-]S(=O)(=O)c2cnn3c2OCCC3)cc1 ZINC000647924436 492383809 /nfs/dbraw/zinc/38/38/09/492383809.db2.gz PMMRAFAETCLYLK-UHFFFAOYSA-N -2 0 363.359 0.148 20 0 FCADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ncc[nH]2)c(OC)c1OC ZINC000647921038 492383967 /nfs/dbraw/zinc/38/39/67/492383967.db2.gz HQFOGNDJDRNQDJ-UHFFFAOYSA-N -2 0 357.344 0.935 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc3c(c2)C(=O)CC3)C1 ZINC000656158511 492558490 /nfs/dbraw/zinc/55/84/90/492558490.db2.gz JYCMZXYFJQMHCL-MRXNPFEDSA-N -2 0 367.379 0.756 20 0 FCADRL Cn1nc(C(F)(F)F)cc1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000629291280 492602394 /nfs/dbraw/zinc/60/23/94/492602394.db2.gz CHZQPBCHKHBLKA-RXMQYKEDSA-N -2 0 359.282 0.035 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC000630252753 492733660 /nfs/dbraw/zinc/73/36/60/492733660.db2.gz PBQAMBPBDDHJAU-OAHLLOKOSA-N -2 0 356.400 0.764 20 0 FCADRL COc1ccc([C@@H](CC(=O)[O-])[N-]S(=O)(=O)c2c(N)noc2C)cc1 ZINC000645935099 492989491 /nfs/dbraw/zinc/98/94/91/492989491.db2.gz CRZCTSMTHSHWNK-LLVKDONJSA-N -2 0 355.372 1.068 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)[O-] ZINC000681563057 493186656 /nfs/dbraw/zinc/18/66/56/493186656.db2.gz KCRSGKRJKUYOQA-GFCCVEGCSA-N -2 0 370.383 0.558 20 0 FCADRL COc1cc(F)c(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)c(F)c1 ZINC000681566071 493186891 /nfs/dbraw/zinc/18/68/91/493186891.db2.gz GZQSFTFPWPUNKI-WRWORJQWSA-N -2 0 351.327 0.741 20 0 FCADRL Cc1noc2ncc(S(=O)(=O)N3CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C3)cc12 ZINC000681590979 493193279 /nfs/dbraw/zinc/19/32/79/493193279.db2.gz VZQSAJDFESVDDQ-GXSJLCMTSA-N -2 0 369.355 0.327 20 0 FCADRL CC(C)[C@](C)(CNC(=O)c1cc(=O)n(C)[n-]1)NC(=O)c1cc(=O)n(C)[n-]1 ZINC000668760159 493406322 /nfs/dbraw/zinc/40/63/22/493406322.db2.gz XJPMQKPNHCTHJM-INIZCTEOSA-N -2 0 364.406 0.139 20 0 FCADRL CCN(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@H](C)C(=O)[O-] ZINC000663126800 493573167 /nfs/dbraw/zinc/57/31/67/493573167.db2.gz ZLUOYWHRSCQHLE-MRVPVSSYSA-N -2 0 350.343 0.565 20 0 FCADRL O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1nn(-c3ccc(F)cc3)cc1[O-])C2 ZINC000663129366 493573569 /nfs/dbraw/zinc/57/35/69/493573569.db2.gz KDFQHTXUJZEVAM-BMLIUANNSA-N -2 0 361.329 0.890 20 0 FCADRL CCC(CC)(CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000424364233 534986774 /nfs/dbraw/zinc/98/67/74/534986774.db2.gz DDNOGAWMHUZNJY-UHFFFAOYSA-N -2 0 370.387 0.605 20 0 FCADRL COC(=O)C(C)(C)n1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1 ZINC000594698896 546815903 /nfs/dbraw/zinc/81/59/03/546815903.db2.gz HKIILFZIAMYKGX-UHFFFAOYSA-N -2 0 356.360 0.618 20 0 FCADRL CCC[C@@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1)c1nnn[n-]1 ZINC000818156997 596980823 /nfs/dbraw/zinc/98/08/23/596980823.db2.gz HPQYYRHLZFMDFU-YPMHNXCESA-N -2 0 357.374 0.877 20 0 FCADRL CN(CCC(=O)[O-])C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000820580041 598195604 /nfs/dbraw/zinc/19/56/04/598195604.db2.gz QSNIWWIYQCXUPA-VIFPVBQESA-N -2 0 374.371 0.064 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCn1cc(Br)cn1 ZINC000739692458 600465895 /nfs/dbraw/zinc/46/58/95/600465895.db2.gz PXLCJYXMRQSHLF-UHFFFAOYSA-N -2 0 368.209 0.347 20 0 FCADRL CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000737202834 599727849 /nfs/dbraw/zinc/72/78/49/599727849.db2.gz HFPGZSXHLIBNGL-WDEREUQCSA-N -2 0 370.383 0.569 20 0 FCADRL Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)Cc3ccc(C(=O)[O-])cc3)c2n1 ZINC000738792435 599793277 /nfs/dbraw/zinc/79/32/77/599793277.db2.gz IAQSDRLCQXMFPB-UHFFFAOYSA-N -2 0 374.378 0.996 20 0 FCADRL CN1CCN(c2ccncc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000737529981 599802420 /nfs/dbraw/zinc/80/24/20/599802420.db2.gz QPCDZZDZFCHVQI-UHFFFAOYSA-N -2 0 366.399 0.925 20 0 FCADRL NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)s1 ZINC000739176766 599824105 /nfs/dbraw/zinc/82/41/05/599824105.db2.gz HDZYSJXPGXZCBV-UHFFFAOYSA-N -2 0 354.365 0.664 20 0 FCADRL Cc1nn2c([n-]nc2SCC(=O)Nc2ccc(C(=O)[O-])cc2)nc1=O ZINC000738379103 600003421 /nfs/dbraw/zinc/00/34/21/600003421.db2.gz OGUNDOZDVUEXAM-UHFFFAOYSA-N -2 0 360.355 0.550 20 0 FCADRL O=C([O-])c1ccc(C(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)nc1 ZINC000740120074 600037552 /nfs/dbraw/zinc/03/75/52/600037552.db2.gz DCNMNXAERVPRND-UHFFFAOYSA-N -2 0 361.335 0.959 20 0 FCADRL O=C([O-])c1ccc(C(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)cn1 ZINC000740299669 600037657 /nfs/dbraw/zinc/03/76/57/600037657.db2.gz PIMQQJLMQYHWTJ-UHFFFAOYSA-N -2 0 361.335 0.959 20 0 FCADRL Cc1nc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)sc1C(=O)[O-] ZINC000738865599 600055197 /nfs/dbraw/zinc/05/51/97/600055197.db2.gz YGJRXXTVQOSQOB-UHFFFAOYSA-N -2 0 366.384 0.926 20 0 FCADRL COc1cc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c(C(=O)[O-])cc1OC ZINC000737895958 600151046 /nfs/dbraw/zinc/15/10/46/600151046.db2.gz PFXKOCUVBIYKJS-UHFFFAOYSA-N -2 0 373.325 0.425 20 0 FCADRL C[C@@H](Sc1ccccc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1)C(=O)[O-] ZINC000736714676 600170465 /nfs/dbraw/zinc/17/04/65/600170465.db2.gz YXPRQXZNOKFJCT-KOLCDFICSA-N -2 0 363.399 0.979 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)Nc3n[nH]c(CC(=O)[O-])n3)cc2[n-]c1=S ZINC000737295731 600179393 /nfs/dbraw/zinc/17/93/93/600179393.db2.gz OWBVPKWYAZEOLM-UHFFFAOYSA-N -2 0 374.382 0.703 20 0 FCADRL Cc1sc(=O)n(CCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1C ZINC000738991233 600203666 /nfs/dbraw/zinc/20/36/66/600203666.db2.gz ZVRXOHUANWTILN-UHFFFAOYSA-N -2 0 350.418 0.228 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(CS(N)(=O)=O)c2)c1C(=O)[O-] ZINC000738828190 600233803 /nfs/dbraw/zinc/23/38/03/600233803.db2.gz QRFGCUAWCGVKNU-UHFFFAOYSA-N -2 0 374.400 0.006 20 0 FCADRL CCS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1 ZINC000737227124 600460210 /nfs/dbraw/zinc/46/02/10/600460210.db2.gz XBRHOJPXPZUJNW-UHFFFAOYSA-N -2 0 363.413 0.405 20 0 FCADRL Cc1ccc(C)n1-c1c(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cnn1C ZINC000738579136 600460296 /nfs/dbraw/zinc/46/02/96/600460296.db2.gz MYTCMOFTUBULGQ-UHFFFAOYSA-N -2 0 368.415 0.752 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)Cn1ccc(=O)c2ccccc21 ZINC000739693120 600460846 /nfs/dbraw/zinc/46/08/46/600460846.db2.gz VRTFGMOMRPYMDR-UHFFFAOYSA-N -2 0 352.368 0.312 20 0 FCADRL COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000737597048 600462556 /nfs/dbraw/zinc/46/25/56/600462556.db2.gz ZTCSDCYAULNHSC-UHFFFAOYSA-N -2 0 359.356 0.163 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cc2c([nH]c1=O)CCCC2=O ZINC000739692437 600463693 /nfs/dbraw/zinc/46/36/93/600463693.db2.gz PQYGGHMTJZVWEU-UHFFFAOYSA-N -2 0 356.356 0.231 20 0 FCADRL C[C@@H]1Oc2ccccc2N(CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1=O ZINC000736835895 600465571 /nfs/dbraw/zinc/46/55/71/600465571.db2.gz OOAUUCZUCCQDFN-JTQLQIEISA-N -2 0 370.383 0.111 20 0 FCADRL NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c1 ZINC000391290577 600514726 /nfs/dbraw/zinc/51/47/26/600514726.db2.gz JQUGKFRCKAEEKJ-UHFFFAOYSA-N -2 0 357.369 0.228 20 0 FCADRL CCn1nc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c(=O)c2ccccc21 ZINC000737310297 600518382 /nfs/dbraw/zinc/51/83/82/600518382.db2.gz QAHIQHLNTFRKIT-UHFFFAOYSA-N -2 0 367.383 0.341 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1C(=O)[O-] ZINC000738069905 600530972 /nfs/dbraw/zinc/53/09/72/600530972.db2.gz OIUIBRMHULXRKO-UHFFFAOYSA-N -3 0 355.328 0.475 20 0 FCADRL NS(=O)(=O)c1ccc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)o1 ZINC000739189102 600554115 /nfs/dbraw/zinc/55/41/15/600554115.db2.gz IGEJXYJYWGNIFN-UHFFFAOYSA-N -2 0 360.373 0.438 20 0 FCADRL O=C([O-])COc1cccc(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c1 ZINC000739832565 600619933 /nfs/dbraw/zinc/61/99/33/600619933.db2.gz HRJCZKVCLQHYFI-UHFFFAOYSA-N -2 0 370.321 0.829 20 0 FCADRL COC(=O)c1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1C ZINC000392148815 600672756 /nfs/dbraw/zinc/67/27/56/600672756.db2.gz IYSAMBXYRMJMFI-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL CS(=O)(=O)Nc1ccccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000324835746 600673317 /nfs/dbraw/zinc/67/33/17/600673317.db2.gz JDVXXNNYMWAAPB-UHFFFAOYSA-N -2 0 374.400 0.140 20 0 FCADRL CCCNC(=O)c1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000326591993 600674279 /nfs/dbraw/zinc/67/42/79/600674279.db2.gz CZIBDUDNXJAJHB-UHFFFAOYSA-N -2 0 366.399 0.908 20 0 FCADRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)cc2)n[nH]1 ZINC000832990389 600679103 /nfs/dbraw/zinc/67/91/03/600679103.db2.gz ZXPZVMLUTTVJBY-UHFFFAOYSA-N -2 0 362.371 0.862 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)cn1 ZINC000833274521 600683982 /nfs/dbraw/zinc/68/39/82/600683982.db2.gz BHUHRUDCZDYQTD-CYBMUJFWSA-N -2 0 367.383 0.936 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000833228622 600947441 /nfs/dbraw/zinc/94/74/41/600947441.db2.gz SKMXEYSGAZPZED-NEPJUHHUSA-N -2 0 369.395 0.872 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)n(-c2ccccn2)n1 ZINC000832899041 600974769 /nfs/dbraw/zinc/97/47/69/600974769.db2.gz BKYCUUUOVYVCLT-UHFFFAOYSA-N -2 0 362.371 0.658 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ncn(Cc3ccccc3)n2)cn1 ZINC000833274195 600979982 /nfs/dbraw/zinc/97/99/82/600979982.db2.gz SYPHRNZTXXYTSO-UHFFFAOYSA-N -2 0 362.371 0.408 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2nncn2Cc2ccccc2)cn1 ZINC000833273878 600984757 /nfs/dbraw/zinc/98/47/57/600984757.db2.gz IXYXHFHYGWZMRN-UHFFFAOYSA-N -2 0 362.371 0.408 20 0 FCADRL Cc1cccc(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)c1C(=O)[O-] ZINC000832972495 600984999 /nfs/dbraw/zinc/98/49/99/600984999.db2.gz DDRPJPSWGPAGNN-UHFFFAOYSA-N -2 0 367.387 0.174 20 0 FCADRL COC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC000831192387 600986356 /nfs/dbraw/zinc/98/63/56/600986356.db2.gz JZNIPRKRNSVTRO-UHFFFAOYSA-N -2 0 358.307 0.089 20 0 FCADRL CC(C)(C)C(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000826130091 601142793 /nfs/dbraw/zinc/14/27/93/601142793.db2.gz GBVVYZAKKMHUOV-VIFPVBQESA-N -2 0 366.461 0.245 20 0 FCADRL Cc1oc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)cc1C(=O)[O-] ZINC000833029698 601231564 /nfs/dbraw/zinc/23/15/64/601231564.db2.gz LDUDLSQWTZRNPF-UHFFFAOYSA-N -2 0 360.369 0.734 20 0 FCADRL Cc1oc(S(=O)(=O)[N-]c2cccc(CS(N)(=O)=O)c2)cc1C(=O)[O-] ZINC000833030445 601233356 /nfs/dbraw/zinc/23/33/56/601233356.db2.gz WRJJFJLBURUIBR-UHFFFAOYSA-N -2 0 374.396 0.876 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cc(C)c1OCC(=O)[O-] ZINC000832864645 601501044 /nfs/dbraw/zinc/50/10/44/601501044.db2.gz QGIQNYAVAZCPBG-GFCCVEGCSA-N -2 0 357.384 0.615 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)CNC(=O)[O-])sc1Br ZINC000832903298 601547677 /nfs/dbraw/zinc/54/76/77/601547677.db2.gz XMCSUBBWROXDHQ-UHFFFAOYSA-N -2 0 357.207 0.892 20 0 FCADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(-n2cncn2)nc1 ZINC000833345211 601835053 /nfs/dbraw/zinc/83/50/53/601835053.db2.gz NMZCJIFZZCMUHZ-UHFFFAOYSA-N -2 0 352.357 0.618 20 0 FCADRL O=C(CCOC1CCOCC1)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833100893 601843405 /nfs/dbraw/zinc/84/34/05/601843405.db2.gz NMLAMMXQUIMPNP-UHFFFAOYSA-N -2 0 363.413 0.837 20 0 FCADRL CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cn1 ZINC000830556380 601861246 /nfs/dbraw/zinc/86/12/46/601861246.db2.gz CTODLRMTLICSAJ-UHFFFAOYSA-N -2 0 370.362 0.609 20 0 FCADRL COC(=O)CCCc1nnc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)s1 ZINC000831155657 602104710 /nfs/dbraw/zinc/10/47/10/602104710.db2.gz QBLAXZBJDQHWRJ-UHFFFAOYSA-N -2 0 374.400 0.861 20 0 FCADRL NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)cc1 ZINC000833089192 602116338 /nfs/dbraw/zinc/11/63/38/602116338.db2.gz LYTNXCXBAZNCEZ-UHFFFAOYSA-N -2 0 362.410 0.895 20 0 FCADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000833360277 602156408 /nfs/dbraw/zinc/15/64/08/602156408.db2.gz DUKNODVSBKHZOF-UHFFFAOYSA-N -2 0 353.337 0.526 20 0 FCADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000827304520 602191703 /nfs/dbraw/zinc/19/17/03/602191703.db2.gz WSEZRQFDMHZOHH-ZCFIWIBFSA-N -2 0 351.178 0.760 20 0 FCADRL CC(C)[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000736377245 603004804 /nfs/dbraw/zinc/00/48/04/603004804.db2.gz YJMUEFPXZZMYLX-GFCCVEGCSA-N -2 0 369.399 0.070 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)[O-])C(C)C)cc1 ZINC000736165013 604373357 /nfs/dbraw/zinc/37/33/57/604373357.db2.gz IHIKAHRSCUMYDG-LBPRGKRZSA-N -2 0 357.388 0.742 20 0 FCADRL COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)[O-])C(C)C)c1 ZINC000738047079 604374070 /nfs/dbraw/zinc/37/40/70/604374070.db2.gz ACDIIOBKFRFXNS-LBPRGKRZSA-N -2 0 360.388 0.801 20 0 FCADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000827303729 604732101 /nfs/dbraw/zinc/73/21/01/604732101.db2.gz IQCXLKRLVAQXOU-NSHDSACASA-N -2 0 357.384 0.677 20 0 FCADRL CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)c1 ZINC000831038621 604890331 /nfs/dbraw/zinc/89/03/31/604890331.db2.gz QEPSIQXEHDDDMG-UHFFFAOYSA-N -2 0 371.396 0.489 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)N(C)C)n2)c(C(=O)[O-])c1 ZINC000833751019 605188905 /nfs/dbraw/zinc/18/89/05/605188905.db2.gz MTYSHOXFSGWUJH-UHFFFAOYSA-N -2 0 366.399 0.779 20 0 FCADRL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000833700993 605231616 /nfs/dbraw/zinc/23/16/16/605231616.db2.gz YTPCZAJKERBKGI-UHFFFAOYSA-N -2 0 368.392 0.925 20 0 FCADRL CSc1[nH]c(=O)c(C(=O)[N-]OCC(F)(F)F)cc1-c1nnn[n-]1 ZINC000821979657 607161601 /nfs/dbraw/zinc/16/16/01/607161601.db2.gz USLNYJVNCOPFKV-UHFFFAOYSA-N -2 0 350.282 0.913 20 0 FCADRL Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000826280348 608781490 /nfs/dbraw/zinc/78/14/90/608781490.db2.gz YGHBWQDEHYNBAF-UHFFFAOYSA-N -2 0 363.359 0.408 20 0 FCADRL CC(C)C(=O)N[N-]S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000028198328 664886540 /nfs/dbraw/zinc/88/65/40/664886540.db2.gz CAGLUEFVRYGCDM-UHFFFAOYSA-N -2 0 361.445 0.093 20 0 FCADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-][N-]C(=O)c3cnccn3)c1)CCC2 ZINC000055579886 666543440 /nfs/dbraw/zinc/54/34/40/666543440.db2.gz QBFNGTQANAWSLV-UHFFFAOYSA-N -3 0 362.367 0.287 20 0 FCADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)c1ccccc1 ZINC000054294769 667207575 /nfs/dbraw/zinc/20/75/75/667207575.db2.gz ZUUOVOUTWRJBPI-UHFFFAOYSA-N -2 0 364.379 0.946 20 0 FCADRL O=C(c1cccc(Br)c1[O-])N1CCO[C@H](c2nnn[n-]2)C1 ZINC000738265762 667910479 /nfs/dbraw/zinc/91/04/79/667910479.db2.gz CTIVCDULOODUAY-VIFPVBQESA-N -2 0 354.164 0.882 20 0 FCADRL CN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC000771514214 668255273 /nfs/dbraw/zinc/25/52/73/668255273.db2.gz SNMPUXFLXXSBNY-UHFFFAOYSA-N -2 0 370.152 0.992 20 0 FCADRL COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000776437553 668261625 /nfs/dbraw/zinc/26/16/25/668261625.db2.gz QKWMIUCOHXEYTF-TWLAMCEISA-N -2 0 371.367 0.469 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc(Br)o1)C(=O)[O-] ZINC000776437583 668261839 /nfs/dbraw/zinc/26/18/39/668261839.db2.gz SGNWXGZRNOSZKY-RXMQYKEDSA-N -2 0 356.150 0.638 20 0 FCADRL CCc1nc2cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])ccc2o1 ZINC000776437988 668262408 /nfs/dbraw/zinc/26/24/08/668262408.db2.gz QBJKXYHYNZZFBV-SECBINFHSA-N -2 0 356.356 0.987 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)OC3)C[C@H]1C(=O)[O-] ZINC000776718645 668290187 /nfs/dbraw/zinc/29/01/87/668290187.db2.gz PHNOIJNYVLTGPR-CMPLNLGQSA-N -2 0 369.351 0.153 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc3c2COC3=O)C1 ZINC000776719295 668290275 /nfs/dbraw/zinc/29/02/75/668290275.db2.gz UMMBICLVANDAPY-OAHLLOKOSA-N -2 0 369.351 0.297 20 0 FCADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CC(N)=O)n1 ZINC000793368078 668925800 /nfs/dbraw/zinc/92/58/00/668925800.db2.gz QVEKNVIUKVUGOG-UHFFFAOYSA-N -2 0 356.335 0.315 20 0 FCADRL CC(C)c1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)n(C)n1 ZINC000827107208 669541439 /nfs/dbraw/zinc/54/14/39/669541439.db2.gz RZMDMUSGNDCSGU-UHFFFAOYSA-N -2 0 358.420 0.315 20 0 FCADRL C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000827436888 669567906 /nfs/dbraw/zinc/56/79/06/669567906.db2.gz KMCDLGZFUNBWIN-JTQLQIEISA-N -2 0 366.436 0.800 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)CO3)c1C(=O)[O-] ZINC000832992113 669929322 /nfs/dbraw/zinc/92/93/22/669929322.db2.gz XXBLVVZTFRGWBW-UHFFFAOYSA-N -2 0 366.355 0.572 20 0 FCADRL COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000818312199 670095021 /nfs/dbraw/zinc/09/50/21/670095021.db2.gz RFUIJQAMTPBHDG-TVQRCGJNSA-N -2 0 354.325 0.782 20 0 FCADRL CCO[N-]C(=O)CNC(=O)c1cccc(I)c1[O-] ZINC000846493370 671116209 /nfs/dbraw/zinc/11/62/09/671116209.db2.gz XNPGKAUYHINOMM-UHFFFAOYSA-N -2 0 364.139 0.794 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc[n+]([O-])c1 ZINC000851701632 671460742 /nfs/dbraw/zinc/46/07/42/671460742.db2.gz XEAUJGZYAPLGED-NXEZZACHSA-N -2 0 361.276 0.056 20 0 FCADRL CCn1nccc1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851703116 671461655 /nfs/dbraw/zinc/46/16/55/671461655.db2.gz NYYTUPNZBIJQTR-WCBMZHEXSA-N -2 0 362.308 0.639 20 0 FCADRL Cc1nccc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1 ZINC000851704296 671462394 /nfs/dbraw/zinc/46/23/94/671462394.db2.gz VDTZVZOWSILSQU-PSASIEDQSA-N -2 0 360.292 0.521 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccncc1F ZINC000851704466 671462487 /nfs/dbraw/zinc/46/24/87/671462487.db2.gz WWOLAGXVQFAGMU-VHSXEESVSA-N -2 0 363.267 0.957 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)NC3(C(=O)[O-])CCOCC3)cc2[n-]c1=S ZINC000852959695 671534195 /nfs/dbraw/zinc/53/41/95/671534195.db2.gz UONYYRUKUSMDGV-UHFFFAOYSA-N -2 0 363.395 0.586 20 0 FCADRL COCC1(C(=O)[O-])CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000853061977 671536179 /nfs/dbraw/zinc/53/61/79/671536179.db2.gz IBYKRPKFGZZQDX-UHFFFAOYSA-N -2 0 363.413 0.948 20 0 FCADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000863952729 672163937 /nfs/dbraw/zinc/16/39/37/672163937.db2.gz DUDMNVDVWGAENZ-MRXNPFEDSA-N -2 0 366.395 0.877 20 0 FCADRL CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)CCC(=O)[O-] ZINC000863952605 672163938 /nfs/dbraw/zinc/16/39/38/672163938.db2.gz DFPIJEWTZPIPPS-UHFFFAOYSA-N -2 0 358.372 0.713 20 0 FCADRL COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)cc1 ZINC000863954093 672164919 /nfs/dbraw/zinc/16/49/19/672164919.db2.gz MIJSKULJXVQNDB-UHFFFAOYSA-N -2 0 355.368 0.674 20 0 FCADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000863955323 672165560 /nfs/dbraw/zinc/16/55/60/672165560.db2.gz IFOUATFNTDAQQM-LBPRGKRZSA-N -2 0 368.411 0.524 20 0 FCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)CCC1 ZINC000863956486 672166194 /nfs/dbraw/zinc/16/61/94/672166194.db2.gz KUZHRARASBSSMG-UHFFFAOYSA-N -2 0 363.395 0.991 20 0 FCADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000863958482 672167133 /nfs/dbraw/zinc/16/71/33/672167133.db2.gz ZWLZLUJPTJRHAD-LBPRGKRZSA-N -2 0 356.400 0.550 20 0 FCADRL O=C([O-])COc1ccc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)cc1 ZINC000863959416 672167353 /nfs/dbraw/zinc/16/73/53/672167353.db2.gz DIYRYOYMHHQANK-UHFFFAOYSA-N -2 0 365.367 0.411 20 0 FCADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1)C1CCCC1 ZINC000863959603 672167727 /nfs/dbraw/zinc/16/77/27/672167727.db2.gz KKHKZCLTMKAPFR-LLVKDONJSA-N -2 0 365.358 0.844 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc3nsnc32)C1 ZINC000863961610 672168598 /nfs/dbraw/zinc/16/85/98/672168598.db2.gz SQPWNSPMZOAMDQ-JGVFFNPUSA-N -2 0 355.397 0.997 20 0 FCADRL Cc1ncsc1CCS(=O)(=O)[N-]C(=O)c1cnc(C(=O)[O-])cn1 ZINC000863961581 672168646 /nfs/dbraw/zinc/16/86/46/672168646.db2.gz NRCRWXDKYCODGH-UHFFFAOYSA-N -2 0 356.385 0.242 20 0 FCADRL O=C([O-])CSCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000863962607 672169212 /nfs/dbraw/zinc/16/92/12/672169212.db2.gz QITFLXZZBGEGLL-UHFFFAOYSA-N -2 0 357.409 0.828 20 0 FCADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cc1 ZINC000863963642 672169846 /nfs/dbraw/zinc/16/98/46/672169846.db2.gz CSJPQBZEGYJIRF-GFCCVEGCSA-N -2 0 365.367 0.661 20 0 FCADRL COC(=O)c1oc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)cc1C ZINC000863964249 672170209 /nfs/dbraw/zinc/17/02/09/672170209.db2.gz GOOXUEBFIJDTHG-UHFFFAOYSA-N -2 0 357.340 0.601 20 0 FCADRL COC(=O)c1oc(S(=O)(=O)[N-]C(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc1C ZINC000863965167 672170765 /nfs/dbraw/zinc/17/07/65/672170765.db2.gz TWXRGUKGFSYXLA-CQSZACIVSA-N -2 0 359.356 0.680 20 0 FCADRL CCOCCO[C@H](C)C(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000063683383 1186124235 /nfs/dbraw/zinc/12/42/35/1186124235.db2.gz CSDUIHAUDBRVRR-GFCCVEGCSA-N -2 0 362.386 0.781 20 0 FCADRL Cc1cc(C(=O)Nc2ccc(-n3nccn3)nc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000746133382 1198968596 /nfs/dbraw/zinc/96/85/96/1198968596.db2.gz GGQVSSZPNFZWKV-UHFFFAOYSA-N -2 0 364.325 0.972 20 0 FCADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000816731304 1203076880 /nfs/dbraw/zinc/07/68/80/1203076880.db2.gz LMLFIDHIMDKTAI-UHFFFAOYSA-N -3 0 370.247 0.983 20 0 FCADRL O=C(OCc1n[nH]c(=O)[n-]1)c1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)cc1 ZINC000774882457 1206480675 /nfs/dbraw/zinc/48/06/75/1206480675.db2.gz IQLNAZVLKFLOFH-UHFFFAOYSA-N -2 0 360.286 0.048 20 0 FCADRL O=C(N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-])N[C@H]1CCCCNC1=O ZINC000045669492 1211928037 /nfs/dbraw/zinc/92/80/37/1211928037.db2.gz CFJWMTLLJKHEJB-LBPRGKRZSA-N -2 0 372.385 0.191 20 0 FCADRL COC(=O)c1ccc(OC)cc1COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001223009331 1225672721 /nfs/dbraw/zinc/67/27/21/1225672721.db2.gz TUHCCNGJTIVXFJ-WCQYABFASA-N -2 0 370.310 0.061 20 0 FCADRL Cc1nc(-c2ccc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc2)no1 ZINC001223460964 1225707322 /nfs/dbraw/zinc/70/73/22/1225707322.db2.gz KRXMCDYIRXFDPB-WCQYABFASA-N -2 0 364.310 0.625 20 0 FCADRL COc1cc(OC)c(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(OC)c1 ZINC001223897510 1225744126 /nfs/dbraw/zinc/74/41/26/1225744126.db2.gz PFOCNZPNSVXGSU-LKFCYVNXSA-N -2 0 372.326 0.292 20 0 FCADRL CC(C)COC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001226084501 1225832983 /nfs/dbraw/zinc/83/29/83/1225832983.db2.gz SHYDARJTIGPNEX-OCCSQVGLSA-N -2 0 368.338 0.941 20 0 FCADRL CC(=O)Nc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(C(C)=O)c1 ZINC001227193745 1225865946 /nfs/dbraw/zinc/86/59/46/1225865946.db2.gz ZCUOAPZLGKWSPQ-FZMZJTMJSA-N -2 0 367.310 0.289 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ncnc2c3ccccc3[nH]c21)[C@H](O)C(=O)[O-] ZINC001228784974 1225949932 /nfs/dbraw/zinc/94/99/32/1225949932.db2.gz YOTRGXOEFSMUIQ-OQPBUACISA-N -2 0 359.294 0.553 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(C(=O)c2ccncc2)cc1)[C@H](O)C(=O)[O-] ZINC001231023570 1226094898 /nfs/dbraw/zinc/09/48/98/1226094898.db2.gz GORIZIABYDCHET-BBRMVZONSA-N -2 0 373.317 0.754 20 0 FCADRL COC(=O)c1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(OC)cc1C ZINC001231367071 1226104666 /nfs/dbraw/zinc/10/46/66/1226104666.db2.gz QCDWPTPMPDTSSK-TVQRCGJNSA-N -2 0 370.310 0.232 20 0 FCADRL COC(=O)c1ccc2occc2c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001231385297 1226105538 /nfs/dbraw/zinc/10/55/38/1226105538.db2.gz OMUUPDOBMWCIQU-CABZTGNLSA-N -2 0 366.278 0.661 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cccnc1-c1ncccc1O)[C@@H](O)C(=O)[O-] ZINC001231204943 1226101854 /nfs/dbraw/zinc/10/18/54/1226101854.db2.gz VKMAXJUOHVSULX-RMLUDKJBSA-N -2 0 362.294 0.291 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(OCCOC2CC2)cc1)[C@@H](O)C(=O)[O-] ZINC001234542642 1259562122 /nfs/dbraw/zinc/56/21/22/1259562122.db2.gz ZRFLKPKLSYEIDI-DZGCQCFKSA-N -2 0 368.338 0.686 20 0 FCADRL NC(=O)[C@H]1CCCN1c1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ncn1 ZINC001242160230 1259634670 /nfs/dbraw/zinc/63/46/70/1259634670.db2.gz HKBUVOZCSIIIOR-CYBMUJFWSA-N -2 0 356.338 0.994 20 0 FCADRL COC(=O)[C@](C)(NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CC1 ZINC001579432351 1277299367 /nfs/dbraw/zinc/29/93/67/1277299367.db2.gz REHOTHNDQNFSMB-OAHLLOKOSA-N -2 0 358.362 0.046 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(-n2ccnn2)c1 ZINC001603186818 1287325235 /nfs/dbraw/zinc/32/52/35/1287325235.db2.gz BWQPQTHPPSJIFK-VHSXEESVSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2=O)cc1 ZINC001603188076 1287325260 /nfs/dbraw/zinc/32/52/60/1287325260.db2.gz LINJHMDUSZIJRA-GHMZBOCLSA-N -2 0 368.411 0.982 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)n1 ZINC001603188074 1287324916 /nfs/dbraw/zinc/32/49/16/1287324916.db2.gz LIHQAUJGFYBDTF-QWRGUYRKSA-N -2 0 366.399 0.365 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC001603186853 1287325056 /nfs/dbraw/zinc/32/50/56/1287325056.db2.gz CNLMJVCIPZXZQW-UWVGGRQHSA-N -2 0 368.411 0.748 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1COc2cc(F)ccc2C1 ZINC001603187885 1287325167 /nfs/dbraw/zinc/32/51/67/1287325167.db2.gz KIHZWSFNFQIRMA-IQJOONFLSA-N -2 0 359.375 0.932 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(-n2ccnn2)c1 ZINC001603186817 1287325428 /nfs/dbraw/zinc/32/54/28/1287325428.db2.gz BWQPQTHPPSJIFK-UWVGGRQHSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@H](C(=O)[O-])N(Cc1cccnc1)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001603198897 1287328185 /nfs/dbraw/zinc/32/81/85/1287328185.db2.gz PMLLAXWRAMKCRS-SNVBAGLBSA-N -2 0 367.383 0.782 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O ZINC001603203619 1287328887 /nfs/dbraw/zinc/32/88/87/1287328887.db2.gz CBSZWIKRHBRJAF-SSDOTTSWSA-N -2 0 370.383 0.475 20 0 FCADRL CC(C)[C@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001603202475 1287329471 /nfs/dbraw/zinc/32/94/71/1287329471.db2.gz CMTJYNFRKSPXJO-APPZFPTMSA-N -2 0 359.433 0.952 20 0 FCADRL CC(C)[C@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001603202476 1287329660 /nfs/dbraw/zinc/32/96/60/1287329660.db2.gz CMTJYNFRKSPXJO-CBAPKCEASA-N -2 0 359.433 0.952 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc2[nH]c(=O)n(C3CC3)c2c1 ZINC001603203551 1287329726 /nfs/dbraw/zinc/32/97/26/1287329726.db2.gz AIIBJDJCEVAIRK-ZETCQYMHSA-N -2 0 353.356 0.610 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1 ZINC001603202247 1287329796 /nfs/dbraw/zinc/32/97/96/1287329796.db2.gz VOUJDPCYSSKKOD-SCZZXKLOSA-N -2 0 364.420 0.599 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC001603201702 1287329885 /nfs/dbraw/zinc/32/98/85/1287329885.db2.gz KHFIDUPRWRVMLC-SMDDNHRTSA-N -2 0 371.411 0.842 20 0 FCADRL CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)cc1 ZINC001603274199 1287345570 /nfs/dbraw/zinc/34/55/70/1287345570.db2.gz JWUYOLAEQLBMLU-ZWNOBZJWSA-N -2 0 371.411 0.817 20 0 FCADRL CCOCCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609240568 1289015934 /nfs/dbraw/zinc/01/59/34/1289015934.db2.gz PMALRMIXKQHHOY-SECBINFHSA-N -2 0 373.391 0.208 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)n1)C(=O)[O-] ZINC001603659815 1287459935 /nfs/dbraw/zinc/45/99/35/1287459935.db2.gz GWMVHGSSUVUOKI-UHFFFAOYSA-N -2 0 366.399 0.367 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)Cc1ccn(-c2ccccc2)n1)C(=O)[O-] ZINC001603660050 1287460765 /nfs/dbraw/zinc/46/07/65/1287460765.db2.gz LWSWZMVKOWGPDQ-UHFFFAOYSA-N -2 0 365.411 0.972 20 0 FCADRL CC(C)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC001603707606 1287476718 /nfs/dbraw/zinc/47/67/18/1287476718.db2.gz NGIAVUFBFBJNRO-NSHDSACASA-N -2 0 358.372 0.487 20 0 FCADRL C[C@H](C(=O)[N-]S(=O)(=O)CCC1CCCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001589002904 1282764121 /nfs/dbraw/zinc/76/41/21/1282764121.db2.gz HAGDWSQKOXPNIB-SECBINFHSA-N -2 0 368.423 0.046 20 0 FCADRL C[C@H](NC(=O)CC(C)(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001604270666 1287597191 /nfs/dbraw/zinc/59/71/91/1287597191.db2.gz IXFOJWXKQVPUBQ-QMMMGPOBSA-N -2 0 360.388 0.724 20 0 FCADRL COc1ccc(-c2cc(C(=O)[N-]n3c(=O)[n-][nH]c3=O)nn2C)cc1OC ZINC001641708410 1282969465 /nfs/dbraw/zinc/96/94/65/1282969465.db2.gz GXKXFCIQPWLJTP-UHFFFAOYSA-N -2 0 360.330 0.491 20 0 FCADRL C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001590334195 1283479124 /nfs/dbraw/zinc/47/91/24/1283479124.db2.gz AGEDDQPGKJCGTO-NTSWFWBYSA-N -2 0 361.430 0.465 20 0 FCADRL CC[C@H]1C[C@@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCO1 ZINC001590503832 1283572115 /nfs/dbraw/zinc/57/21/15/1283572115.db2.gz SCLWYLHPPAYWOZ-ONGXEEELSA-N -2 0 373.373 0.863 20 0 FCADRL CC1(C)CN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)[C@H](C(=O)[O-])CO1 ZINC001604546413 1287654831 /nfs/dbraw/zinc/65/48/31/1287654831.db2.gz SWDGKYUSUQCBOP-LBPRGKRZSA-N -2 0 357.384 0.779 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2-c2nnn[n-]2)nc1C ZINC001604606442 1287681561 /nfs/dbraw/zinc/68/15/61/1287681561.db2.gz IAHWOFIVYCIYOE-UHFFFAOYSA-N -2 0 363.407 0.793 20 0 FCADRL CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591005254 1284068396 /nfs/dbraw/zinc/06/83/96/1284068396.db2.gz IIZOXCFNBHMRQW-UHFFFAOYSA-N -2 0 362.371 0.962 20 0 FCADRL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001591785651 1284902634 /nfs/dbraw/zinc/90/26/34/1284902634.db2.gz SOFABFFJUSRXTM-MRVPVSSYSA-N -2 0 362.390 0.696 20 0 FCADRL Cc1nc(C)c(C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)o1 ZINC001592355543 1285269523 /nfs/dbraw/zinc/26/95/23/1285269523.db2.gz KRKPEBFOSZYFQA-UHFFFAOYSA-N -2 0 356.302 0.577 20 0 FCADRL Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)n1 ZINC001592560174 1285472038 /nfs/dbraw/zinc/47/20/38/1285472038.db2.gz QFHMSFWWPSDOAP-SECBINFHSA-N -2 0 366.234 0.926 20 0 FCADRL O=C(NC1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1)c1ncccc1O ZINC001592990075 1285876200 /nfs/dbraw/zinc/87/62/00/1285876200.db2.gz WROZOYFQIAQPOZ-UHFFFAOYSA-N -2 0 366.385 0.761 20 0 FCADRL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001593275504 1286059724 /nfs/dbraw/zinc/05/97/24/1286059724.db2.gz FCHLYKONHBXQTR-SNVBAGLBSA-N -2 0 373.341 0.677 20 0 FCADRL O=c1cc(CN[C@@H](CO)c2ccc(F)cc2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001593521144 1286191706 /nfs/dbraw/zinc/19/17/06/1286191706.db2.gz PRMYDAXOFVZCGQ-ZDUSSCGKSA-N -2 0 370.348 0.577 20 0 FCADRL Cc1c([C@H](NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)C(=O)[O-])cnn1C ZINC001600009480 1286423517 /nfs/dbraw/zinc/42/35/17/1286423517.db2.gz MSAQTSRQZUTBBL-LBPRGKRZSA-N -2 0 371.346 0.670 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])ccc1N1CCOCC1 ZINC001600096672 1286440478 /nfs/dbraw/zinc/44/04/78/1286440478.db2.gz XRMIODXZGSORMR-LLVKDONJSA-N -2 0 356.400 0.364 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])n(C2CCOCC2)n1 ZINC001600096362 1286440727 /nfs/dbraw/zinc/44/07/27/1286440727.db2.gz JVLXMGZRJDVCRV-MNOVXSKESA-N -2 0 373.431 0.712 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])c1F ZINC001600112256 1286442827 /nfs/dbraw/zinc/44/28/27/1286442827.db2.gz STLSVMIYWPTQSP-SNVBAGLBSA-N -2 0 361.347 0.697 20 0 FCADRL Cc1cc(C(N)=O)cc(S(=O)(=O)[N-]c2cnn(C(C)(C)C(=O)[O-])c2)c1 ZINC001600144921 1286446897 /nfs/dbraw/zinc/44/68/97/1286446897.db2.gz AUWHNCVSIWZDSE-UHFFFAOYSA-N -2 0 366.399 0.911 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)CCCNC(=O)C2CC2)oc1C(=O)[O-] ZINC001600296386 1286471914 /nfs/dbraw/zinc/47/19/14/1286471914.db2.gz CZHTXHYVGFZXQK-UHFFFAOYSA-N -2 0 358.372 0.398 20 0 FCADRL Cc1ccc(N2C[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])CC2=O)cc1F ZINC001600436181 1286485290 /nfs/dbraw/zinc/48/52/90/1286485290.db2.gz USRYVEFVAMEQSI-VHSXEESVSA-N -2 0 372.374 0.406 20 0 FCADRL Cc1ccc(NC(=O)CS[C@H](C)C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1 ZINC001600449338 1286490100 /nfs/dbraw/zinc/49/01/00/1286490100.db2.gz WTLCMUOGRFLGDA-SNVBAGLBSA-N -2 0 374.440 0.586 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)N2CC[C@H]([C@H]3CCCO3)[C@@H]2C(=O)[O-])c1C(=O)[O-] ZINC001600670606 1286522637 /nfs/dbraw/zinc/52/26/37/1286522637.db2.gz WQJBQLKXWHXNOH-FXPVBKGRSA-N -2 0 373.387 0.059 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)N2CCC[C@H](C[C@H](C)C(=O)[O-])C2)c1C(=O)[O-] ZINC001600673035 1286523905 /nfs/dbraw/zinc/52/39/05/1286523905.db2.gz SGWYEGNXBTXDET-WCBMZHEXSA-N -2 0 359.404 0.928 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)NCc2ccccc2CC(=O)[O-])c1C(=O)[O-] ZINC001600673506 1286525370 /nfs/dbraw/zinc/52/53/70/1286525370.db2.gz HEDFYPAJFDCQMM-UHFFFAOYSA-N -2 0 353.356 0.522 20 0 FCADRL Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)sc1C(=O)[O-] ZINC001600717649 1286531440 /nfs/dbraw/zinc/53/14/40/1286531440.db2.gz KCTYHSKWLGUFMV-UHFFFAOYSA-N -2 0 371.462 0.173 20 0 FCADRL Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001600763898 1286540262 /nfs/dbraw/zinc/54/02/62/1286540262.db2.gz CRDXZDPOLVFONK-UHFFFAOYSA-N -2 0 355.347 0.772 20 0 FCADRL Cc1nn(C)c(C)c1[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCCC1)C(=O)[O-] ZINC001600769269 1286541002 /nfs/dbraw/zinc/54/10/02/1286541002.db2.gz RXCKBZKVZPLTKB-LBPRGKRZSA-N -2 0 373.431 0.727 20 0 FCADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1nnc(CC(=O)[O-])[nH]1 ZINC001600781818 1286543806 /nfs/dbraw/zinc/54/38/06/1286543806.db2.gz OVEQOUGYPDMBGA-UHFFFAOYSA-N -2 0 356.408 0.702 20 0 FCADRL Cc1nn2cc(S(=O)(=O)[N-]c3ncn(CC(=O)[O-])n3)cnc2c1Cl ZINC001600790849 1286545794 /nfs/dbraw/zinc/54/57/94/1286545794.db2.gz QNYFQXKJNAYNRV-UHFFFAOYSA-N -2 0 371.766 0.168 20 0 FCADRL Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC001600823030 1286552384 /nfs/dbraw/zinc/55/23/84/1286552384.db2.gz YKPCHTQWPKPALL-VXNVDRBHSA-N -2 0 370.387 0.552 20 0 FCADRL Cn1cc(C(N)=O)c([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC001600937446 1286574509 /nfs/dbraw/zinc/57/45/09/1286574509.db2.gz AJSPAHOCAOOILX-QPJJXVBHSA-N -2 0 350.356 0.418 20 0 FCADRL Cn1cc([C@H](NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])C(=O)[O-])cn1 ZINC001600940498 1286574967 /nfs/dbraw/zinc/57/49/67/1286574967.db2.gz MVNRNZPBJUQPNS-NSHDSACASA-N -2 0 373.774 0.876 20 0 FCADRL Cn1cc([C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)C(=O)[O-])cn1 ZINC001600940465 1286575044 /nfs/dbraw/zinc/57/50/44/1286575044.db2.gz MBEPACLWISXSRU-LLVKDONJSA-N -2 0 357.319 0.362 20 0 FCADRL Cn1cc(C[C@H](CNS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C(=O)[O-])cn1 ZINC001600947687 1286578188 /nfs/dbraw/zinc/57/81/88/1286578188.db2.gz NJJVOKHBOQROJV-UPJWGTAASA-N -2 0 373.431 0.226 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])o2)c(C(F)(F)F)n1 ZINC001600967965 1286584352 /nfs/dbraw/zinc/58/43/52/1286584352.db2.gz LMJTXKSTKMAQIA-UHFFFAOYSA-N -2 0 367.261 0.849 20 0 FCADRL Cn1cc(S(=O)(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])cc1C(=O)[O-] ZINC001600969175 1286584921 /nfs/dbraw/zinc/58/49/21/1286584921.db2.gz YWLLCHZKYGFSKR-GFCCVEGCSA-N -2 0 366.395 0.945 20 0 FCADRL Cn1ccnc1[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CCO1 ZINC001600984741 1286588447 /nfs/dbraw/zinc/58/84/47/1286588447.db2.gz UDBRPXPEXAWFQM-PSASIEDQSA-N -2 0 356.360 0.305 20 0 FCADRL Cn1cnc2c1nccc2C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001600992117 1286591915 /nfs/dbraw/zinc/59/19/15/1286591915.db2.gz YCBYZNRBYXPDDU-UHFFFAOYSA-N -2 0 366.380 0.847 20 0 FCADRL Cn1[n-]c(C(F)(F)F)nc1=NS(=O)(=O)c1scnc1C(=O)[O-] ZINC001601007960 1286595904 /nfs/dbraw/zinc/59/59/04/1286595904.db2.gz OTOQWXVCTPWJNA-UHFFFAOYSA-N -2 0 357.295 0.211 20 0 FCADRL Cn1nc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccncc1C(=O)[O-] ZINC001601008072 1286596176 /nfs/dbraw/zinc/59/61/76/1286596176.db2.gz VPCCECJADJEMSG-UHFFFAOYSA-N -2 0 350.278 0.755 20 0 FCADRL Cn1nccc1[C@@H](NC(=O)c1nc[n-]c(=O)c1Br)C(=O)[O-] ZINC001601033810 1286610547 /nfs/dbraw/zinc/61/05/47/1286610547.db2.gz RYDZKAFOQIZNNF-SSDOTTSWSA-N -2 0 356.136 0.234 20 0 FCADRL Cn1nccc1COCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001601037943 1286615419 /nfs/dbraw/zinc/61/54/19/1286615419.db2.gz OBRSMHZWGCLEFI-UHFFFAOYSA-N -2 0 353.356 0.140 20 0 FCADRL NC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC001601145897 1286654086 /nfs/dbraw/zinc/65/40/86/1286654086.db2.gz UWYJKZWGTLDCBN-SFYZADRCSA-N -2 0 360.413 0.543 20 0 FCADRL NC(=O)c1cccc(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC001601169454 1286671191 /nfs/dbraw/zinc/67/11/91/1286671191.db2.gz XYWDXISZOAYTAR-UHFFFAOYSA-N -2 0 362.363 0.744 20 0 FCADRL NC(=O)c1csc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001601170739 1286672595 /nfs/dbraw/zinc/67/25/95/1286672595.db2.gz KGYLVZHOQJITLJ-UHFFFAOYSA-N -2 0 354.365 0.664 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1 ZINC001601200050 1286695410 /nfs/dbraw/zinc/69/54/10/1286695410.db2.gz PGUKVGNEQMMXMH-DOMZBBRYSA-N -2 0 354.384 0.509 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)NCCc2ccccc2C(=O)[O-])c1 ZINC001601200185 1286695836 /nfs/dbraw/zinc/69/58/36/1286695836.db2.gz YXQZBDTWKMNZQT-UHFFFAOYSA-N -2 0 364.379 0.710 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)CN1CCc2ccccc21 ZINC001601320169 1286726665 /nfs/dbraw/zinc/72/66/65/1286726665.db2.gz RMPVNSKVZIFGMP-UHFFFAOYSA-N -2 0 367.408 0.709 20 0 FCADRL O=C([O-])[C@H](C[C@H]1CCCOC1)NC(=O)c1nc[n-]c(=O)c1Br ZINC001601410391 1286741596 /nfs/dbraw/zinc/74/15/96/1286741596.db2.gz BUNQWCJSVMMTDE-SFYZADRCSA-N -2 0 374.191 0.944 20 0 FCADRL O=C([O-])[C@@H](CO)NC(=O)c1cccc(I)c1[O-] ZINC001601418933 1286742978 /nfs/dbraw/zinc/74/29/78/1286742978.db2.gz BSVQBLULZCNZSQ-SSDOTTSWSA-N -2 0 351.096 0.172 20 0 FCADRL O=C([O-])[C@@H]1CN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)C[C@H]1C1CC1 ZINC001601435237 1286747149 /nfs/dbraw/zinc/74/71/49/1286747149.db2.gz ITNCIMIIQVAPFJ-IFWUJCSASA-N -2 0 352.387 0.315 20 0 FCADRL O=C([O-])c1cc(CNC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)ccn1 ZINC001601544605 1286782802 /nfs/dbraw/zinc/78/28/02/1286782802.db2.gz AHYBQODQBQGFEO-UHFFFAOYSA-N -2 0 355.310 0.289 20 0 FCADRL O=C([O-])c1cc(Cl)cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC001601587738 1286787952 /nfs/dbraw/zinc/78/79/52/1286787952.db2.gz JJIIGFPKBPZHTO-JTQLQIEISA-N -2 0 356.718 0.289 20 0 FCADRL O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001601657560 1286802132 /nfs/dbraw/zinc/80/21/32/1286802132.db2.gz OIKDGEKLDLVOIU-NSHDSACASA-N -2 0 359.404 0.360 20 0 FCADRL O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)[C@@H]3CC[C@@H](C(=O)[O-])CC3)CC2)C1 ZINC001601756987 1286824800 /nfs/dbraw/zinc/82/48/00/1286824800.db2.gz LDJKNVZGMHSXAG-AVGNSLFASA-N -2 0 366.414 0.802 20 0 FCADRL O=C([O-])/C=C\c1ccc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)cc1 ZINC001601884204 1286861715 /nfs/dbraw/zinc/86/17/15/1286861715.db2.gz BYIDQWVAWLPUMX-UTCJRWHESA-N -2 0 369.395 0.944 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1F ZINC001601908420 1286865779 /nfs/dbraw/zinc/86/57/79/1286865779.db2.gz FWGNGOGURCSBHL-ZDUSSCGKSA-N -2 0 374.390 0.973 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccncc1 ZINC001601908439 1286865835 /nfs/dbraw/zinc/86/58/35/1286865835.db2.gz HPKNIUIMJFILHB-GFCCVEGCSA-N -2 0 357.388 0.228 20 0 FCADRL O=C([O-])C[C@H]1CN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CCO1 ZINC001601958399 1286884795 /nfs/dbraw/zinc/88/47/95/1286884795.db2.gz KSMZPBSNNHUDRA-JSGCOSHPSA-N -2 0 361.354 0.408 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001602027673 1286908432 /nfs/dbraw/zinc/90/84/32/1286908432.db2.gz JKUVGLXOSMMZRE-JTQLQIEISA-N -2 0 372.374 0.489 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@H]1CCCCN1C(=O)c1ccco1 ZINC001602027913 1286909130 /nfs/dbraw/zinc/90/91/30/1286909130.db2.gz KVLDKYJZFGGDHA-SNVBAGLBSA-N -2 0 358.372 0.195 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001602052377 1286912025 /nfs/dbraw/zinc/91/20/25/1286912025.db2.gz BTZHWSXNPQVNSM-UHFFFAOYSA-N -3 0 369.710 0.337 20 0 FCADRL O=C([O-])CN1CCN(C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)CC1 ZINC001602062043 1286914997 /nfs/dbraw/zinc/91/49/97/1286914997.db2.gz BFHCVRQQIFWPOS-UHFFFAOYSA-N -2 0 363.292 0.301 20 0 FCADRL O=C([O-])[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1occc1Br ZINC001602200846 1286967278 /nfs/dbraw/zinc/96/72/78/1286967278.db2.gz BHGUMQOZDMYFEZ-HTRCEHHLSA-N -2 0 354.178 0.810 20 0 FCADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CC2)c1F ZINC001602228112 1286971954 /nfs/dbraw/zinc/97/19/54/1286971954.db2.gz MOBRCAUDWMNMMM-MRVPVSSYSA-N -3 0 363.294 0.579 20 0 FCADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)c1F ZINC001602228114 1286972851 /nfs/dbraw/zinc/97/28/51/1286972851.db2.gz MOBRCAUDWMNMMM-QMMMGPOBSA-N -3 0 363.294 0.579 20 0 FCADRL O=C([O-])c1cc(F)ccc1S(=O)(=O)N[C@@H](C[C@H]1CCOC1)C(=O)[O-] ZINC001602275880 1286979515 /nfs/dbraw/zinc/97/95/15/1286979515.db2.gz LFWZINIQDQCPED-KCJUWKMLSA-N -2 0 361.347 0.682 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@]3(CCOC3)C2)ccc1F ZINC001602288809 1286981121 /nfs/dbraw/zinc/98/11/21/1286981121.db2.gz JYHXPMBMGLAXGV-NHYWBVRUSA-N -2 0 373.358 0.636 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)cc(F)c1F ZINC001602293878 1286985407 /nfs/dbraw/zinc/98/54/07/1286985407.db2.gz UDPZOFNCDSMQTJ-KSBSHMNSSA-N -2 0 365.310 0.431 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC(=O)N(c3ccccc3F)C2)on1 ZINC001602294613 1286985491 /nfs/dbraw/zinc/98/54/91/1286985491.db2.gz LDMVUCKKVAIYFJ-MRVPVSSYSA-N -2 0 369.330 0.596 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1 ZINC001602353630 1286990143 /nfs/dbraw/zinc/99/01/43/1286990143.db2.gz CRRQFVXSBZKSND-RYUDHWBXSA-N -3 0 371.367 0.322 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@]3(CCOC3)C2)cc1 ZINC001602354612 1286990455 /nfs/dbraw/zinc/99/04/55/1286990455.db2.gz JCLJDMDXSNGVLE-BBRMVZONSA-N -2 0 369.395 0.638 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCS2(=O)=O)s1 ZINC001602395479 1286995337 /nfs/dbraw/zinc/99/53/37/1286995337.db2.gz BGAGZIPFUCHUSN-QMMMGPOBSA-N -2 0 367.426 0.219 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2Cc3cc(O)ccc3C[C@H]2C(=O)[O-])o1 ZINC001602396036 1286995374 /nfs/dbraw/zinc/99/53/74/1286995374.db2.gz MBRYJUVCNGUKFM-NSHDSACASA-N -2 0 367.335 0.884 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2cn3c(n2)COCC3)c1 ZINC001602451734 1287003998 /nfs/dbraw/zinc/00/39/98/1287003998.db2.gz IXGYJBXFADOTMV-UHFFFAOYSA-N -2 0 351.340 0.230 20 0 FCADRL O=C([O-])c1ccccc1CS(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001602470093 1287005604 /nfs/dbraw/zinc/00/56/04/1287005604.db2.gz XFSJCIFPIREYHM-GFCCVEGCSA-N -2 0 353.356 0.223 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)NC[C@H](Cc2cccnc2)C(=O)[O-])c1 ZINC001602557137 1287025503 /nfs/dbraw/zinc/02/55/03/1287025503.db2.gz QWIABCFVQCXLRI-JTQLQIEISA-N -2 0 354.340 0.595 20 0 FCADRL O=C([O-])c1nccc(N[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)n1 ZINC001602575383 1287029089 /nfs/dbraw/zinc/02/90/89/1287029089.db2.gz WEQAFVOJXWSYJW-YPMHNXCESA-N -2 0 356.338 0.435 20 0 FCADRL O=C([O-])c1nccc(N[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)n1 ZINC001602575382 1287030029 /nfs/dbraw/zinc/03/00/29/1287030029.db2.gz WEQAFVOJXWSYJW-WCQYABFASA-N -2 0 356.338 0.435 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)NC[C@H](Cc1ccccn1)C(=O)[O-] ZINC001602583115 1287031264 /nfs/dbraw/zinc/03/12/64/1287031264.db2.gz ONUUDAIIRGHJOF-QMMMGPOBSA-N -2 0 371.396 0.458 20 0 FCADRL O=C([O-])[C@]1(N2CCN(C(=O)c3cc(F)cc(F)c3[O-])CC2)CCOC1 ZINC001602622911 1287036495 /nfs/dbraw/zinc/03/64/95/1287036495.db2.gz QGTPYIOHUPNPAF-INIZCTEOSA-N -2 0 356.325 0.672 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)CC2)cc1 ZINC001602637604 1287044203 /nfs/dbraw/zinc/04/42/03/1287044203.db2.gz AZANAHUGDVHZIO-LLVKDONJSA-N -2 0 354.384 0.247 20 0 FCADRL CC(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C(=O)[O-] ZINC001603036140 1287195012 /nfs/dbraw/zinc/19/50/12/1287195012.db2.gz IILUYBDSUUAETH-GFCCVEGCSA-N -2 0 358.416 0.872 20 0 FCADRL CC[C@@H](NS(=O)(=O)c1cc(/C=C/C(=O)[O-])cc(OC)c1OC)C(=O)[O-] ZINC001605103690 1287881633 /nfs/dbraw/zinc/88/16/33/1287881633.db2.gz KBEBGMSJLPQLLU-BRAIEQGRSA-N -2 0 373.383 0.943 20 0 FCADRL CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001605199096 1287909216 /nfs/dbraw/zinc/90/92/16/1287909216.db2.gz VPPSCXSLFKFAPE-ZDUSSCGKSA-N -2 0 352.409 0.601 20 0 FCADRL C[S@@](=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001605361433 1287940076 /nfs/dbraw/zinc/94/00/76/1287940076.db2.gz GYBKDJPDCMSWAA-JOCHJYFZSA-N -2 0 353.385 0.998 20 0 FCADRL CCN(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(C)(C)C(=O)[O-] ZINC001605396670 1287948693 /nfs/dbraw/zinc/94/86/93/1287948693.db2.gz XBSRBQTVZUUING-UHFFFAOYSA-N -2 0 364.370 0.955 20 0 FCADRL C[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001605425439 1287955307 /nfs/dbraw/zinc/95/53/07/1287955307.db2.gz ILSLBAPSZAPTJT-HTQZYQBOSA-N -2 0 357.417 0.802 20 0 FCADRL CCOC(=O)c1cn[n-]c1S(=O)(=O)Oc1cccc(CC(=O)[O-])c1 ZINC001605579791 1288019643 /nfs/dbraw/zinc/01/96/43/1288019643.db2.gz KDVFBKWKULBAJQ-UHFFFAOYSA-N -2 0 354.340 0.981 20 0 FCADRL CCO[C@H]1C[C@](NS(=O)(=O)CC2(C(=O)[O-])CCC2)(C(=O)[O-])C1(C)C ZINC001605606556 1288031274 /nfs/dbraw/zinc/03/12/74/1288031274.db2.gz VEMWCWLFCLOLCK-BONVTDFDSA-N -2 0 363.432 0.819 20 0 FCADRL CCOC[C@@H](NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1)C(=O)[O-] ZINC001605640564 1288043084 /nfs/dbraw/zinc/04/30/84/1288043084.db2.gz KAOXBZZSXXNDAA-GFCCVEGCSA-N -2 0 357.384 0.571 20 0 FCADRL CCOc1cn(-c2ccccc2)nc1C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001605714432 1288059061 /nfs/dbraw/zinc/05/90/61/1288059061.db2.gz JTOSVSJPPGEYLT-JTQLQIEISA-N -2 0 367.383 0.804 20 0 FCADRL Cc1cc(S(=O)(=O)NC[C@@H](C(=O)[O-])C2CCC2)ccc1-c1nn[nH]n1 ZINC001605750991 1288070555 /nfs/dbraw/zinc/07/05/55/1288070555.db2.gz BHCSTZNWMBNTOE-CYBMUJFWSA-N -2 0 365.415 0.954 20 0 FCADRL CCc1ccccc1NC(=C(F)C(=O)[O-])c1c([O-])[nH]c(=S)[nH]c1=O ZINC001605834669 1288096605 /nfs/dbraw/zinc/09/66/05/1288096605.db2.gz HZJNWKPAYVBIGD-JTQLQIEISA-N -2 0 351.359 0.869 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC001606042575 1288144661 /nfs/dbraw/zinc/14/46/61/1288144661.db2.gz OIOZVCPYDRJWQI-OAHLLOKOSA-N -2 0 356.400 0.579 20 0 FCADRL CN(Cc1ccc(F)cc1)C(=O)CS(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001606159076 1288191592 /nfs/dbraw/zinc/19/15/92/1288191592.db2.gz GRYOFYZYOLBMPC-UHFFFAOYSA-N -2 0 355.347 0.679 20 0 FCADRL COC(=O)C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])C(=O)[O-] ZINC001606442643 1288320788 /nfs/dbraw/zinc/32/07/88/1288320788.db2.gz YTQLUFGZJMDVGT-SECBINFHSA-N -2 0 369.280 0.602 20 0 FCADRL COC(=O)c1c(F)cc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])cc1F ZINC001606526109 1288365252 /nfs/dbraw/zinc/36/52/52/1288365252.db2.gz HDEJDGIPLOTCDO-UHFFFAOYSA-N -2 0 360.269 0.603 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001606584688 1288396364 /nfs/dbraw/zinc/39/63/64/1288396364.db2.gz SMPPVTBXWFOVJL-KYZUINATSA-N -2 0 357.340 0.313 20 0 FCADRL COC(=O)c1cccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)c1 ZINC001606616478 1288410592 /nfs/dbraw/zinc/41/05/92/1288410592.db2.gz LRTDPJRZLQZITP-UHFFFAOYSA-N -2 0 354.340 0.680 20 0 FCADRL CO[C@@H](CC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-])C(F)(F)F ZINC001606668626 1288431203 /nfs/dbraw/zinc/43/12/03/1288431203.db2.gz BKJKDNCEKNIYIK-BYPYZUCNSA-N -2 0 362.307 0.614 20 0 FCADRL COCCn1cc(S(=O)(=O)[N-]c2ccn(C(C)(C)C(=O)[O-])n2)cn1 ZINC001606931827 1288568843 /nfs/dbraw/zinc/56/88/43/1288568843.db2.gz UPMZSNNYXXIJFQ-UHFFFAOYSA-N -2 0 357.392 0.347 20 0 FCADRL O=C([O-])[C@H]1[C@@H]2CN(S(=O)(=O)c3ccsc3-c3nnn[n-]3)CC[C@@H]21 ZINC001606957388 1288574314 /nfs/dbraw/zinc/57/43/14/1288574314.db2.gz AZXTZVWSWDOZIK-LKEWCRSYSA-N -2 0 355.401 0.269 20 0 FCADRL O=C([O-])[C@@H](CCF)[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001606960906 1288576523 /nfs/dbraw/zinc/57/65/23/1288576523.db2.gz UYJJFJNFDSFMRN-MRVPVSSYSA-N -2 0 365.293 0.236 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001606961140 1288576538 /nfs/dbraw/zinc/57/65/38/1288576538.db2.gz XDQKEVDFWFONHC-XLDPMVHQSA-N -2 0 353.360 0.334 20 0 FCADRL O=C([O-])[C@@H](CNS(=O)(=O)c1cccnc1-c1nnn[n-]1)C1CCC1 ZINC001606960718 1288576584 /nfs/dbraw/zinc/57/65/84/1288576584.db2.gz TVMPGBNPGLCDCJ-VIFPVBQESA-N -2 0 352.376 0.041 20 0 FCADRL COc1c(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cnn1-c1ccccc1 ZINC001607010043 1288588216 /nfs/dbraw/zinc/58/82/16/1288588216.db2.gz MLTAUBXCMFGNNK-UHFFFAOYSA-N -2 0 367.383 0.805 20 0 FCADRL COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)[N-]OCCCC(=O)[O-] ZINC001607068113 1288640253 /nfs/dbraw/zinc/64/02/53/1288640253.db2.gz TVXIHVQIXUTKPT-UHFFFAOYSA-N -2 0 367.358 0.248 20 0 FCADRL O=S(=O)([N-]c1ccccc1-n1cnnn1)c1ccc(-c2nnn[n-]2)o1 ZINC001607068813 1288641013 /nfs/dbraw/zinc/64/10/13/1288641013.db2.gz AMGYAOFRYJYKDU-UHFFFAOYSA-N -2 0 359.331 0.236 20 0 FCADRL O=S(=O)([N-]c1cnn(C[C@H]2CCCO2)c1)c1ccc(-c2nnn[n-]2)o1 ZINC001607069697 1288641222 /nfs/dbraw/zinc/64/12/22/1288641222.db2.gz MRJGNPUZWPOGEA-SNVBAGLBSA-N -2 0 365.375 0.636 20 0 FCADRL COc1cc(C(=O)[O-])cc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)c1OC ZINC001607087783 1288654851 /nfs/dbraw/zinc/65/48/51/1288654851.db2.gz RZXHUEHWYFZLNP-VIFPVBQESA-N -2 0 368.342 0.425 20 0 FCADRL COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]N2CCCC2=O)c1OC ZINC001607152716 1288673607 /nfs/dbraw/zinc/67/36/07/1288673607.db2.gz GVPPCUFOUZMBPH-AATRIKPKSA-N -2 0 370.383 0.617 20 0 FCADRL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-]c2cn(C)nn2)c1OC ZINC001607154068 1288674629 /nfs/dbraw/zinc/67/46/29/1288674629.db2.gz SKRFMQJRWUAHRK-PLNGDYQASA-N -2 0 368.371 0.731 20 0 FCADRL COc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1OC(F)F ZINC001607206475 1288684653 /nfs/dbraw/zinc/68/46/53/1288684653.db2.gz XBNTUEDGUPOAQZ-ZCFIWIBFSA-N -2 0 353.299 0.829 20 0 FCADRL COc1ccc2c(c1)C[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])CO2 ZINC001607293610 1288695955 /nfs/dbraw/zinc/69/59/55/1288695955.db2.gz MTDNSGAOTPHYJR-UMNHJUIQSA-N -2 0 371.411 0.802 20 0 FCADRL COc1cccc([C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])nc2)C(=O)[O-])c1 ZINC001607312808 1288698527 /nfs/dbraw/zinc/69/85/27/1288698527.db2.gz JMLRAFMXTPEPLT-CYBMUJFWSA-N -2 0 366.351 0.893 20 0 FCADRL CS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-] ZINC001607376246 1288701806 /nfs/dbraw/zinc/70/18/06/1288701806.db2.gz UGHDICJDCRXDSF-LBPRGKRZSA-N -2 0 372.399 0.394 20 0 FCADRL CSCC[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)CCCC(=O)[O-] ZINC001607399032 1288704680 /nfs/dbraw/zinc/70/46/80/1288704680.db2.gz VVOIWVDNSOAPOC-DTWKUNHWSA-N -2 0 357.475 0.762 20 0 FCADRL Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccnn2C)cc1C(=O)[O-] ZINC001607817669 1288739997 /nfs/dbraw/zinc/73/99/97/1288739997.db2.gz AIVYUDAGCTUDNT-LBPRGKRZSA-N -2 0 353.356 0.531 20 0 FCADRL Cc1cnc(COCC(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)o1 ZINC001607908351 1288745218 /nfs/dbraw/zinc/74/52/18/1288745218.db2.gz QJEJHRQEHXQNDD-UHFFFAOYSA-N -2 0 354.340 0.703 20 0 FCADRL Cc1nc(Cl)ccc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001607959069 1288752208 /nfs/dbraw/zinc/75/22/08/1288752208.db2.gz ADMOZGGRJPDVJR-UHFFFAOYSA-N -2 0 361.807 0.815 20 0 FCADRL Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccccc2)cc1C(=O)[O-] ZINC001608121783 1288774786 /nfs/dbraw/zinc/77/47/86/1288774786.db2.gz CJPLWVZKCUGJRX-QWHCGFSZSA-N -2 0 368.367 0.188 20 0 FCADRL Cn1[n-]c(C(F)(F)F)nc1=NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001608145591 1288781109 /nfs/dbraw/zinc/78/11/09/1288781109.db2.gz QZHSONQVWJHZQA-UHFFFAOYSA-N -2 0 368.268 0.894 20 0 FCADRL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)cn1 ZINC001608245632 1288801715 /nfs/dbraw/zinc/80/17/15/1288801715.db2.gz XOULNHOAVUVLAE-UHFFFAOYSA-N -2 0 365.367 0.835 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)c1 ZINC001608262942 1288808508 /nfs/dbraw/zinc/80/85/08/1288808508.db2.gz RSPWMOQYLSFBQP-LBPRGKRZSA-N -2 0 356.400 0.803 20 0 FCADRL NS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001608263916 1288809421 /nfs/dbraw/zinc/80/94/21/1288809421.db2.gz GZAXOHVLUSKFAJ-UHFFFAOYSA-N -2 0 374.371 0.972 20 0 FCADRL O=C([O-])[C@H](CNC(=O)CSc1n[nH]c(=O)[n-]1)Cc1cccc(F)c1 ZINC001608357208 1288829977 /nfs/dbraw/zinc/82/99/77/1288829977.db2.gz WUGSFKQPEBGPLJ-VIFPVBQESA-N -2 0 354.363 0.801 20 0 FCADRL O=C([O-])[C@@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CCCCCC1 ZINC001608373253 1288832237 /nfs/dbraw/zinc/83/22/37/1288832237.db2.gz KXIAPQOTELJPRD-LBPRGKRZSA-N -2 0 361.402 0.859 20 0 FCADRL O=C([O-])CCCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001608714487 1288868195 /nfs/dbraw/zinc/86/81/95/1288868195.db2.gz OSHBHNSELPYLHP-UHFFFAOYSA-N -2 0 358.734 0.723 20 0 FCADRL O=C([O-])CCCS(=O)(=O)N[C@H](Cc1c[nH]c2ncccc12)C(=O)[O-] ZINC001608718428 1288869271 /nfs/dbraw/zinc/86/92/71/1288869271.db2.gz RWTVXBVTXVDLPM-LLVKDONJSA-N -2 0 355.372 0.343 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@H](CC2CC2)C(=O)[O-])cc2c1OCCO2 ZINC001608859677 1288876915 /nfs/dbraw/zinc/87/69/15/1288876915.db2.gz DJQUWASQKSQEDP-LLVKDONJSA-N -2 0 371.367 0.688 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCN(C3CCCCC3)C2=O)on1 ZINC001608860560 1288878080 /nfs/dbraw/zinc/87/80/80/1288878080.db2.gz QPFLKSRJULYOMJ-LLVKDONJSA-N -2 0 371.415 0.975 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])c(Br)c1 ZINC001608910104 1288879183 /nfs/dbraw/zinc/87/91/83/1288879183.db2.gz XCRGGFUVKMMGND-QMMMGPOBSA-N -2 0 364.173 0.995 20 0 FCADRL O=C([O-])C1(O)CN(C(=O)c2cccc(I)c2[O-])C1 ZINC001609029304 1288882921 /nfs/dbraw/zinc/88/29/21/1288882921.db2.gz WDCMAMGLRAAQMF-UHFFFAOYSA-N -2 0 363.107 0.268 20 0 FCADRL CC(C)(C)CC[C@H](NS(=O)(=O)c1cccnc1-c1nnn[n-]1)C(=O)[O-] ZINC001609075465 1288905724 /nfs/dbraw/zinc/90/57/24/1288905724.db2.gz OIVPFOGCIGUZNB-VIFPVBQESA-N -2 0 368.419 0.820 20 0 FCADRL C[C@@H](OCC1CC1)C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001609133218 1288940506 /nfs/dbraw/zinc/94/05/06/1288940506.db2.gz WOOULOJRKCVGRV-MRVPVSSYSA-N -2 0 359.346 0.473 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)c1ccccn1 ZINC001609571730 1289234729 /nfs/dbraw/zinc/23/47/29/1289234729.db2.gz RLJAMLYFQYIETO-SECBINFHSA-N -2 0 364.343 0.349 20 0 FCADRL O=C(OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)c1ccc(Cl)nn1 ZINC001609575929 1289236991 /nfs/dbraw/zinc/23/69/91/1289236991.db2.gz QBNRWAGTKKCVCT-UHFFFAOYSA-N -2 0 373.720 0.415 20 0 FCADRL CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001609621496 1289265732 /nfs/dbraw/zinc/26/57/32/1289265732.db2.gz LDIRLWASOWMIGF-JTQLQIEISA-N -2 0 372.399 0.293 20 0 FCADRL C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC001609636666 1289269811 /nfs/dbraw/zinc/26/98/11/1289269811.db2.gz YWIRFZOJVRTPLE-BDAKNGLRSA-N -2 0 363.413 0.113 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C[S@](C)=O)c1 ZINC001609638209 1289269965 /nfs/dbraw/zinc/26/99/65/1289269965.db2.gz BXEICJVFFYPTEV-QKESZYPNSA-N -2 0 361.441 0.734 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2nccnc2cc1F ZINC001609638921 1289270795 /nfs/dbraw/zinc/27/07/95/1289270795.db2.gz OGDFVNNATUCLDY-YUMQZZPRSA-N -2 0 355.347 0.938 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(C2OCCO2)c1 ZINC001609638938 1289270807 /nfs/dbraw/zinc/27/08/07/1289270807.db2.gz OLRJWOUFEVMZSX-NXEZZACHSA-N -2 0 357.384 0.901 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(NC(=O)NC2CC2)c1 ZINC001609642850 1289271337 /nfs/dbraw/zinc/27/13/37/1289271337.db2.gz FVYRTCGBSGTCTE-MRVPVSSYSA-N -2 0 355.372 0.503 20 0 FCADRL CC(C)(C(=O)[O-])C1(O)CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001609649770 1289272888 /nfs/dbraw/zinc/27/28/88/1289272888.db2.gz WRGXVVZYYQMTOF-UHFFFAOYSA-N -2 0 361.372 0.604 20 0 FCADRL CC(C)(C)OC(=O)N[C@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])C1CCC1 ZINC001609664434 1289276352 /nfs/dbraw/zinc/27/63/52/1289276352.db2.gz QRTHMDDWDSFVNU-NSHDSACASA-N -2 0 364.420 0.601 20 0 FCADRL CC(C)(C)OC(=O)NC1(CC(=O)[N-]S(=O)(=O)CCC(=O)[O-])CCC1 ZINC001609665756 1289277104 /nfs/dbraw/zinc/27/71/04/1289277104.db2.gz WOUBUKMJIBFADI-UHFFFAOYSA-N -2 0 364.420 0.745 20 0 FCADRL CC(C)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(C(=O)[O-])c1 ZINC001609719359 1289286023 /nfs/dbraw/zinc/28/60/23/1289286023.db2.gz CQSPWOOPTGRNAW-CYBMUJFWSA-N -2 0 364.354 0.759 20 0 FCADRL C[C@H](CC(=O)[O-])C1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC001609732923 1289287485 /nfs/dbraw/zinc/28/74/85/1289287485.db2.gz SJWGUQLSCWOQDF-SNVBAGLBSA-N -2 0 359.404 0.479 20 0 FCADRL C[C@H](CS(=O)(=O)[N-][C@@H](CO)c1nc(-c2ccccc2)no1)C(=O)[O-] ZINC001609750523 1289290168 /nfs/dbraw/zinc/29/01/68/1289290168.db2.gz PMGXEYMKDHQHNH-KOLCDFICSA-N -2 0 355.372 0.410 20 0 FCADRL C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC001609811935 1289301982 /nfs/dbraw/zinc/30/19/82/1289301982.db2.gz UHDDNLALSLMUCO-QGZVFWFLSA-N -2 0 364.354 0.802 20 0 FCADRL C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)C1 ZINC001609814986 1289303330 /nfs/dbraw/zinc/30/33/30/1289303330.db2.gz QXJZFMPHKUKUEO-PXAZEXFGSA-N -2 0 354.403 0.803 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)[C@H](C(=O)[O-])[C@H](C)O1 ZINC001609873882 1289321392 /nfs/dbraw/zinc/32/13/92/1289321392.db2.gz GHJQIVFDCKXIGQ-LWINAJNOSA-N -2 0 361.347 0.775 20 0 FCADRL CCC(CC)(CNC(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)C(=O)[O-] ZINC001609913276 1289327251 /nfs/dbraw/zinc/32/72/51/1289327251.db2.gz OHBCKVVFRPCBFR-NSHDSACASA-N -2 0 354.403 0.707 20 0 FCADRL CCO[C@@H]1C[C@](NS(=O)(=O)c2cc(C(=O)[O-])co2)(C(=O)[O-])C1(C)C ZINC001610027822 1289351200 /nfs/dbraw/zinc/35/12/00/1289351200.db2.gz AIOMXQXVBBNCNM-OTYXRUKQSA-N -2 0 361.372 0.915 20 0 FCADRL CN1C(=O)c2ccc(S(=O)(=O)[N-]c3cncc(C(=O)[O-])c3)cc2C1=O ZINC001610128197 1289382708 /nfs/dbraw/zinc/38/27/08/1289382708.db2.gz PAKOACNSCUJRLN-UHFFFAOYSA-N -2 0 361.335 0.806 20 0 FCADRL COC(=O)c1cnc([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)cn1 ZINC001610218928 1289429930 /nfs/dbraw/zinc/42/99/30/1289429930.db2.gz MLSBVFHFKGTFKE-UHFFFAOYSA-N -2 0 351.340 0.903 20 0 FCADRL COC[C@]1(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CCOC1 ZINC001610247857 1289437541 /nfs/dbraw/zinc/43/75/41/1289437541.db2.gz JWJAAWWNJRADLL-OAHLLOKOSA-N -2 0 357.384 0.384 20 0 FCADRL COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001610258546 1289440610 /nfs/dbraw/zinc/44/06/10/1289440610.db2.gz ORZMJWBLGUGVAS-LLVKDONJSA-N -2 0 371.411 0.913 20 0 FCADRL COCCO[N-]C(=O)C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001610262669 1289442924 /nfs/dbraw/zinc/44/29/24/1289442924.db2.gz ZFJSXOBESHUZPR-UHFFFAOYSA-N -2 0 361.148 0.780 20 0 FCADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)c1 ZINC001610265434 1289443870 /nfs/dbraw/zinc/44/38/70/1289443870.db2.gz FUVMLACGRUPFFY-IAQYHMDHSA-N -2 0 355.368 0.626 20 0 FCADRL COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)N(C)CCC(=O)[O-] ZINC001610281568 1289449479 /nfs/dbraw/zinc/44/94/79/1289449479.db2.gz KWTKQNJCBGTWQU-UHFFFAOYSA-N -2 0 350.324 0.596 20 0 FCADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)N[C@H](CCSC)C(=O)[O-] ZINC001610292185 1289453113 /nfs/dbraw/zinc/45/31/13/1289453113.db2.gz WSOLKQGBWWOOJA-ZCFIWIBFSA-N -2 0 369.442 0.940 20 0 FCADRL COc1cc(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])ccc1C(=O)[O-] ZINC001610305943 1289456668 /nfs/dbraw/zinc/45/66/68/1289456668.db2.gz GZMAJTOQDYEAJY-AWEZNQCLSA-N -2 0 361.372 0.145 20 0 FCADRL COc1ccc(C(C)(C)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1OC ZINC001610317230 1289458778 /nfs/dbraw/zinc/45/87/78/1289458778.db2.gz LBSRNWKDLSKXQE-VIFPVBQESA-N -2 0 359.400 0.901 20 0 FCADRL COc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1Br ZINC001610312771 1289458886 /nfs/dbraw/zinc/45/88/86/1289458886.db2.gz JXGNDKSNRJHILS-ZCFIWIBFSA-N -2 0 366.189 0.990 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N[C@@H](C(=O)[O-])c2ccn(C)n2)c1 ZINC001610360356 1289469872 /nfs/dbraw/zinc/46/98/72/1289469872.db2.gz UYWHNXVMNHOUKC-JBEBIEQOSA-N -2 0 351.384 0.478 20 0 FCADRL C[C@@H](NC(=O)CCc1ccccc1)C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001610389721 1289477320 /nfs/dbraw/zinc/47/73/20/1289477320.db2.gz ODPIUQQFZYNAAY-LLVKDONJSA-N -2 0 356.400 0.045 20 0 FCADRL Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001610416499 1289482922 /nfs/dbraw/zinc/48/29/22/1289482922.db2.gz UKFRGWZEOWAIPB-UHFFFAOYSA-N -2 0 363.701 0.394 20 0 FCADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001610418148 1289483093 /nfs/dbraw/zinc/48/30/93/1289483093.db2.gz UUJTVQGDYZADCW-UHFFFAOYSA-N -2 0 374.390 0.613 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc(Cl)n1 ZINC001610436596 1289487037 /nfs/dbraw/zinc/48/70/37/1289487037.db2.gz CJPTUAKYQGTETF-UHFFFAOYSA-N -2 0 361.807 0.815 20 0 FCADRL Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)c(C(=O)[O-])c1 ZINC001610512253 1289498188 /nfs/dbraw/zinc/49/81/88/1289498188.db2.gz BYUOMZZNAQGYOW-GFCCVEGCSA-N -2 0 353.356 0.531 20 0 FCADRL Cc1cccc([C@@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C(=O)[O-])c1C ZINC001610519799 1289500948 /nfs/dbraw/zinc/50/09/48/1289500948.db2.gz MYWPWLSXSJRDQW-CQSZACIVSA-N -2 0 367.383 0.689 20 0 FCADRL Cc1cccc(N2C[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])CC2=O)c1C ZINC001610524123 1289501164 /nfs/dbraw/zinc/50/11/64/1289501164.db2.gz ARKOEYAFRMFIKQ-VXGBXAGGSA-N -2 0 368.411 0.575 20 0 FCADRL Cc1nn(C)c(C)c1C[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-] ZINC001610568901 1289513403 /nfs/dbraw/zinc/51/34/03/1289513403.db2.gz ONZLNCKQRJHEMV-AUTRQRHGSA-N -2 0 359.448 0.771 20 0 FCADRL Cc1noc(C2CC2)c1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001610577895 1289515968 /nfs/dbraw/zinc/51/59/68/1289515968.db2.gz VIVYUPAKKFAONB-UHFFFAOYSA-N -2 0 357.388 0.632 20 0 FCADRL Cn1cc(C[C@H](NS(=O)(=O)c2ccc(F)cc2C(=O)[O-])C(=O)[O-])cn1 ZINC001610603985 1289523802 /nfs/dbraw/zinc/52/38/02/1289523802.db2.gz YXFDEQHPBVLVEC-NSHDSACASA-N -2 0 371.346 0.232 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O ZINC001610655868 1289543629 /nfs/dbraw/zinc/54/36/29/1289543629.db2.gz TWFOFAJLEKAOKJ-UHFFFAOYSA-N -2 0 374.396 0.180 20 0 FCADRL O=C([O-])[C@H]1CN(C(=O)C(=O)[N-]O[C@H]2CCCCO2)c2ccccc2O1 ZINC001610699462 1289560695 /nfs/dbraw/zinc/56/06/95/1289560695.db2.gz BLJPUYWMLONLNK-OLZOCXBDSA-N -2 0 350.327 0.440 20 0 FCADRL O=C([O-])C1(CS(=O)(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)CCCC1 ZINC001610727416 1289569300 /nfs/dbraw/zinc/56/93/00/1289569300.db2.gz MAFMNPFUFRLNPV-UHFFFAOYSA-N -2 0 358.420 0.665 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC001610753740 1289578829 /nfs/dbraw/zinc/57/88/29/1289578829.db2.gz WFOJCABBHXWYFI-IMSIIYSGSA-N -3 0 363.388 0.211 20 0 FCADRL O=C([O-])CCCCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001610767858 1289585351 /nfs/dbraw/zinc/58/53/51/1289585351.db2.gz HPGFWVOBAHJDLY-CYBMUJFWSA-N -2 0 364.354 0.626 20 0 FCADRL O=C([O-])CCN(CCO)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001610773481 1289586403 /nfs/dbraw/zinc/58/64/03/1289586403.db2.gz UJMFXJOVIAAXAF-UHFFFAOYSA-N -2 0 351.764 0.496 20 0 FCADRL O=C([O-])CSCCNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001610790333 1289594342 /nfs/dbraw/zinc/59/43/42/1289594342.db2.gz LJJHNSWFGRTWSB-GFCCVEGCSA-N -2 0 351.384 0.640 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)cc1F ZINC001610793470 1289594447 /nfs/dbraw/zinc/59/44/47/1289594447.db2.gz AKPIWXPTHZOHBK-UHFFFAOYSA-N -2 0 369.330 0.160 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N[C@H](Cc2ccco2)C(=O)[O-])cc1 ZINC001610793640 1289595616 /nfs/dbraw/zinc/59/56/16/1289595616.db2.gz LTTXTSCLBZNTOW-CYBMUJFWSA-N -2 0 353.352 0.881 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccco2)C(=O)[O-])cc1 ZINC001610793644 1289596400 /nfs/dbraw/zinc/59/64/00/1289596400.db2.gz LTTXTSCLBZNTOW-ZDUSSCGKSA-N -2 0 353.352 0.881 20 0 FCADRL O=C([O-])c1cc(C(=O)[N-]S(=O)(=O)CCc2ccc3c(c2)CCO3)on1 ZINC001610810083 1289599280 /nfs/dbraw/zinc/59/92/80/1289599280.db2.gz MPPNRNDTYPWKIZ-UHFFFAOYSA-N -2 0 366.351 0.610 20 0 FCADRL O=C([O-])c1cnn([C@H]2CCCN(S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)c1 ZINC001610865340 1289612484 /nfs/dbraw/zinc/61/24/84/1289612484.db2.gz JQCLOLOHROKENU-JTQLQIEISA-N -2 0 369.355 0.898 20 0 FCADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 ZINC001610873116 1289615183 /nfs/dbraw/zinc/61/51/83/1289615183.db2.gz OKLHKVTUIASMHX-UHFFFAOYSA-N -2 0 352.353 0.879 20 0 FCADRL COc1cc(/C=C/C(=O)NCCOP(=O)([O-])[O-])cc(OC)c1OC ZINC001143771496 849499783 /nfs/dbraw/zinc/49/97/83/849499783.db2.gz WDBCJYHQQKPABJ-SNAWJCMRSA-N -2 0 361.287 0.951 20 0 FCADRL C[C@H]1[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[O-])C(=O)N1S(=O)(=O)[O-] ZINC001148812726 849618929 /nfs/dbraw/zinc/61/89/29/849618929.db2.gz ZFEVACHPYHTCFS-NVNXEXLPSA-N -2 0 369.182 0.831 20 0 FCADRL CN=c1c(N)cc(Cl)nn1C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148917463 849620414 /nfs/dbraw/zinc/62/04/14/849620414.db2.gz ROAXFOLZKRFWNZ-UHFFFAOYSA-N -2 0 358.763 0.290 20 0 FCADRL COC(=O)Cn1cc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])cn1 ZINC001148915021 849620751 /nfs/dbraw/zinc/62/07/51/849620751.db2.gz IEDGSJCFYGBZSE-UHFFFAOYSA-N -2 0 355.328 0.261 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cnc2c(Br)cnn2c1 ZINC001153184606 849738448 /nfs/dbraw/zinc/73/84/48/849738448.db2.gz VGFXFKXCRBLATQ-UHFFFAOYSA-N -2 0 365.080 0.331 20 0 FCADRL O=P([O-])([O-])OCCNc1nc2ccccc2nc1N1CCOCC1 ZINC001157791478 849995449 /nfs/dbraw/zinc/99/54/49/849995449.db2.gz PNBGLHHSPSMEGR-UHFFFAOYSA-N -2 0 354.303 0.988 20 0 FCADRL COC(=O)c1cc2c(nc(Cl)nc2NCCOP(=O)([O-])[O-])n1C ZINC001157795662 849995644 /nfs/dbraw/zinc/99/56/44/849995644.db2.gz JXQFQVZMNRSFMK-UHFFFAOYSA-N -2 0 364.682 0.930 20 0 FCADRL CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](C(=O)NCCOP(=O)([O-])[O-])C1 ZINC001178892670 850937636 /nfs/dbraw/zinc/93/76/36/850937636.db2.gz LSKZMBWCVPNZTP-UWVGGRQHSA-N -2 0 370.314 0.807 20 0 FCADRL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-]c1ncc(Br)[nH]c1=O ZINC001180176544 851017576 /nfs/dbraw/zinc/01/75/76/851017576.db2.gz FXDGMFNERCUTLM-UHFFFAOYSA-N -2 0 362.033 0.826 20 0 FCADRL CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NCCOP(=O)([O-])[O-] ZINC001183860600 851273737 /nfs/dbraw/zinc/27/37/37/851273737.db2.gz WHZVHQYLNHWVRL-SNVBAGLBSA-N -2 0 368.323 0.238 20 0 FCADRL COc1ccc(S(=O)(=O)Nc2cc(O)cc(C(N)=O)c2)cc1C(=O)[O-] ZINC001185314257 851351361 /nfs/dbraw/zinc/35/13/61/851351361.db2.gz KKXSIMLTUFNRPB-UHFFFAOYSA-N -2 0 366.351 0.999 20 0 FCADRL CC(C)(C)OC(=O)NC1(C(=O)NCCOP(=O)([O-])[O-])CC(F)C1 ZINC001186909723 851483028 /nfs/dbraw/zinc/48/30/28/851483028.db2.gz JDTOVJHHFMHSRV-UHFFFAOYSA-N -2 0 356.287 0.607 20 0 FCADRL Cc1oncc1S(=O)(=O)[N-]c1ccc(CC(=O)[N-]S(C)(=O)=O)cc1 ZINC001187379113 851555868 /nfs/dbraw/zinc/55/58/68/851555868.db2.gz DPVNTWDONJSQNM-UHFFFAOYSA-N -2 0 373.412 0.402 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC ZINC001188004590 851637492 /nfs/dbraw/zinc/63/74/92/851637492.db2.gz PWWJRMGCNLXXAY-LBPRGKRZSA-N -2 0 372.399 0.584 20 0 FCADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CCC2(CNC(=O)N2)CC1 ZINC001189888128 851837242 /nfs/dbraw/zinc/83/72/42/851837242.db2.gz WLKKPFAULMBHDM-UHFFFAOYSA-N -2 0 355.287 0.446 20 0 FCADRL COC(=O)[C@H]1CN(C(=O)c2ccccc2OP(=O)([O-])[O-])CCN1C ZINC001189887402 851837315 /nfs/dbraw/zinc/83/73/15/851837315.db2.gz OKSOQBVQEWYUDU-LLVKDONJSA-N -2 0 358.287 0.087 20 0 FCADRL Cn1cc2c(n1)[C@@H](CNC(=O)c1ccccc1OP(=O)([O-])[O-])OCC2 ZINC001189899686 851838623 /nfs/dbraw/zinc/83/86/23/851838623.db2.gz GCLMABUXVAIUDP-CYBMUJFWSA-N -2 0 367.298 0.935 20 0 FCADRL O=C([O-])c1cc(C(=O)N2C[C@H](F)C[C@@H](CO)C2)cc(S(=O)(=O)[O-])c1 ZINC001189915844 851843095 /nfs/dbraw/zinc/84/30/95/851843095.db2.gz XXUXQVFPNLKTIG-LDYMZIIASA-N -2 0 361.347 0.424 20 0 FCADRL O=C([O-])c1cc(C(=O)N2CCc3[nH]cnc3C2)cc(S(=O)(=O)[O-])c1 ZINC001189924559 851844426 /nfs/dbraw/zinc/84/44/26/851844426.db2.gz ZZHPCQSQMQAHGN-UHFFFAOYSA-N -2 0 351.340 0.553 20 0 FCADRL O=C([O-])c1cc(C(=O)NCCc2cnccn2)cc(S(=O)(=O)[O-])c1 ZINC001189934700 851846009 /nfs/dbraw/zinc/84/60/09/851846009.db2.gz WPXBZOOJXFDGQE-UHFFFAOYSA-N -2 0 351.340 0.394 20 0 FCADRL C[C@@H](NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1)c1cncnc1 ZINC001189934703 851846623 /nfs/dbraw/zinc/84/66/23/851846623.db2.gz WRJJCYFRXMOURN-MRVPVSSYSA-N -2 0 351.340 0.913 20 0 FCADRL NC(=O)[C@H]1CC12CCN(C(=O)c1ccccc1OP(=O)([O-])[O-])CC2 ZINC001278366833 862306261 /nfs/dbraw/zinc/30/62/61/862306261.db2.gz RPFUXNNUZMJQJX-LLVKDONJSA-N -2 0 354.299 0.886 20 0 FCADRL NC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccncc2)cc1 ZINC001190896503 851979713 /nfs/dbraw/zinc/97/97/13/851979713.db2.gz NJLPHMCDQRTYAY-UHFFFAOYSA-N -2 0 356.385 0.239 20 0 FCADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2noc3nccnc23)cc1 ZINC001192683770 852275162 /nfs/dbraw/zinc/27/51/62/852275162.db2.gz STBAHTKFKAMUAN-UHFFFAOYSA-N -2 0 350.312 0.882 20 0 FCADRL NC(=O)c1ccc(F)nc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192685226 852275232 /nfs/dbraw/zinc/27/52/32/852275232.db2.gz JPSNBPZNZDVVEA-UHFFFAOYSA-N -2 0 369.330 0.584 20 0 FCADRL CC(=O)c1nn(C)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192684861 852275546 /nfs/dbraw/zinc/27/55/46/852275546.db2.gz DGKDSOWMXXHNJK-UHFFFAOYSA-N -2 0 353.356 0.887 20 0 FCADRL CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)ncn1 ZINC001192685928 852275573 /nfs/dbraw/zinc/27/55/73/852275573.db2.gz ICLQORCYFCEOSE-UHFFFAOYSA-N -2 0 366.355 0.699 20 0 FCADRL Cc1nn(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1C(N)=O ZINC001192683117 852275669 /nfs/dbraw/zinc/27/56/69/852275669.db2.gz LNRBZNBOSATFSU-UHFFFAOYSA-N -2 0 368.371 0.092 20 0 FCADRL CNC(=O)c1cccnc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192690292 852278285 /nfs/dbraw/zinc/27/82/85/852278285.db2.gz VREUVZQWCXPZTM-UHFFFAOYSA-N -2 0 365.367 0.705 20 0 FCADRL COc1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c(S(=O)(=O)[O-])c1 ZINC001193264442 852400612 /nfs/dbraw/zinc/40/06/12/852400612.db2.gz RVKZKJFIJFSBEW-JTQLQIEISA-N -2 0 351.402 0.863 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c(C(N)=O)nn1C ZINC001195194907 852722307 /nfs/dbraw/zinc/72/23/07/852722307.db2.gz LQDXUOJDFLQSOG-UHFFFAOYSA-N -2 0 374.325 0.605 20 0 FCADRL CN(C)C(=O)C1(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCC1 ZINC001195267750 852734417 /nfs/dbraw/zinc/73/44/17/852734417.db2.gz FXWZUBIELGSYEF-UHFFFAOYSA-N -2 0 362.354 0.952 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)Cc2cccnc2)c1 ZINC001197463752 853119378 /nfs/dbraw/zinc/11/93/78/853119378.db2.gz DHQBHXLXLLSKLN-UHFFFAOYSA-N -2 0 371.440 0.979 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1ncccc1OCC1CCOCC1 ZINC001197754591 853158032 /nfs/dbraw/zinc/15/80/32/853158032.db2.gz AREWQAABNGTGMF-UHFFFAOYSA-N -2 0 360.303 0.726 20 0 FCADRL NC(=O)S(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)Cc2ccccn2)c1 ZINC001197828980 853169239 /nfs/dbraw/zinc/16/92/39/853169239.db2.gz ANKCYDAFSYGTRT-UHFFFAOYSA-N -2 0 371.396 0.996 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cc(NCC2CCOCC2)ccn1 ZINC001198536105 853281174 /nfs/dbraw/zinc/28/11/74/853281174.db2.gz LMIDLLQQMKYRDB-UHFFFAOYSA-N -2 0 359.319 0.181 20 0 FCADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cncc(N2CCOCC2)n1 ZINC001198738623 853311182 /nfs/dbraw/zinc/31/11/82/853311182.db2.gz BKVAUTGPANAKHC-UHFFFAOYSA-N -2 0 364.383 0.812 20 0 FCADRL O=C(OCCCn1c(=O)[nH]c2ccccc21)[C@H](O)COP(=O)([O-])[O-] ZINC001206364390 853681777 /nfs/dbraw/zinc/68/17/77/853681777.db2.gz LXZJENXADCXSGJ-LLVKDONJSA-N -2 0 360.259 0.145 20 0 FCADRL O=C([O-])C[C@@H](C(=O)OCc1ccc(-c2csnn2)cc1)[C@H](O)C(=O)[O-] ZINC001206468557 853691178 /nfs/dbraw/zinc/69/11/78/853691178.db2.gz JSTWHSOPURALCE-MFKMUULPSA-N -2 0 366.351 0.785 20 0 FCADRL Cc1cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc(C)c1C(=O)[O-] ZINC001216309630 855190189 /nfs/dbraw/zinc/19/01/89/855190189.db2.gz HBGBEUHDZVKHPC-UHFFFAOYSA-N -2 0 369.359 0.013 20 0 FCADRL CCOC(=O)c1ccccc1COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001223084168 856895296 /nfs/dbraw/zinc/89/52/96/856895296.db2.gz MQQVFETZDPKKDZ-AAEUAGOBSA-N -2 0 354.311 0.443 20 0 FCADRL COC(=O)c1cccc([C@H](C)OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001223798299 856943915 /nfs/dbraw/zinc/94/39/15/856943915.db2.gz SGJGEKNPKCXEAQ-RLCGTCKNSA-N -2 0 354.311 0.614 20 0 FCADRL COc1ccc(-c2noc(COC(=O)[C@H](O)COP(=O)([O-])[O-])n2)cc1 ZINC001224266789 856974905 /nfs/dbraw/zinc/97/49/05/856974905.db2.gz NOEDJKRZQVZDTL-SNVBAGLBSA-N -2 0 374.242 0.259 20 0 FCADRL CC(C)(C)OC(=O)NC1(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])CC1 ZINC001224796130 857001507 /nfs/dbraw/zinc/00/15/07/857001507.db2.gz FCOCBVOFRJIOMJ-PSASIEDQSA-N -2 0 361.347 0.123 20 0 FCADRL COc1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(OC)c1OC ZINC001225313567 857033532 /nfs/dbraw/zinc/03/35/32/857033532.db2.gz UKJMITYCUPWXLR-PRHODGIISA-N -2 0 358.299 0.154 20 0 FCADRL CCOC(=O)c1c(C)cccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225810016 857061448 /nfs/dbraw/zinc/06/14/48/857061448.db2.gz JXZQTFFCBHHXSA-TVQRCGJNSA-N -2 0 354.311 0.614 20 0 FCADRL O=C(Oc1cc(Br)ccc1F)[C@H](O)COP(=O)([O-])[O-] ZINC001225799936 857061457 /nfs/dbraw/zinc/06/14/57/857061457.db2.gz ZOLGKPKSQHRWFQ-SSDOTTSWSA-N -2 0 359.040 0.964 20 0 FCADRL CSc1nc2[nH]ccc2c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001226024207 857080161 /nfs/dbraw/zinc/08/01/61/857080161.db2.gz PPBQCVFIZZSXNA-SVRRBLITSA-N -2 0 355.328 0.122 20 0 FCADRL CC(C)OC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001226072609 857083511 /nfs/dbraw/zinc/08/35/11/857083511.db2.gz JDGJEDPFXWANRK-YPMHNXCESA-N -2 0 354.311 0.694 20 0 FCADRL CCOC(=O)Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001226396577 857102082 /nfs/dbraw/zinc/10/20/82/857102082.db2.gz IZZQVDGMNKZIDK-BXUZGUMPSA-N -2 0 354.311 0.234 20 0 FCADRL Cc1ncc(Br)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001226864667 857128829 /nfs/dbraw/zinc/12/88/29/857128829.db2.gz IGMBMJPOZLNFFG-XCBNKYQSSA-N -2 0 362.132 0.594 20 0 FCADRL Cc1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cnc1Br ZINC001226999197 857136842 /nfs/dbraw/zinc/13/68/42/857136842.db2.gz JJMMHVCMMJKHIV-SSDOTTSWSA-N -2 0 356.065 0.528 20 0 FCADRL CCOC(=O)c1sc(C)nc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001227060920 857139260 /nfs/dbraw/zinc/13/92/60/857139260.db2.gz WQOWMTODQQKSBQ-ZCFIWIBFSA-N -2 0 355.261 0.004 20 0 FCADRL O=C([O-])CC[C@@H](O)C(=O)Oc1ccc(S(=O)(=O)[O-])c2cccnc12 ZINC001227439502 857159495 /nfs/dbraw/zinc/15/94/95/857159495.db2.gz WJEWCWMBXSYOFC-SECBINFHSA-N -2 0 355.324 0.613 20 0 FCADRL CCOC(=O)c1ccc2[nH]c(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc2c1 ZINC001227708257 857171937 /nfs/dbraw/zinc/17/19/37/857171937.db2.gz XCFKKLROEAORGC-SNVBAGLBSA-N -2 0 374.242 0.115 20 0 FCADRL O=C(Oc1ccccc1C(=O)N1CCCC1)[C@H](O)COP(=O)([O-])[O-] ZINC001227779392 857177198 /nfs/dbraw/zinc/17/71/98/857177198.db2.gz ZUFFRXPZIBWFCV-LLVKDONJSA-N -2 0 359.271 0.298 20 0 FCADRL O=C([O-])C[C@@H](O)C(=O)Oc1[n-]c(=O)nc2c(Br)cccc12 ZINC001228062685 857190618 /nfs/dbraw/zinc/19/06/18/857190618.db2.gz STHQGBGXCGGMAS-SSDOTTSWSA-N -2 0 357.116 0.839 20 0 FCADRL COc1cc(Br)ccc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001228404629 857208914 /nfs/dbraw/zinc/20/89/14/857208914.db2.gz GGTJLQSAWIICIM-SSDOTTSWSA-N -2 0 371.076 0.833 20 0 FCADRL Cc1cc(Br)ncc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228702270 857224421 /nfs/dbraw/zinc/22/44/21/857224421.db2.gz OCVOEFXAKGOOAM-QUBYGPBYSA-N -2 0 362.132 0.594 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=S)nc2ccccc21)[C@H](O)C(=O)[O-] ZINC001228766749 857227654 /nfs/dbraw/zinc/22/76/54/857227654.db2.gz VCBZMVOWIZRLTP-XCBNKYQSSA-N -2 0 352.324 0.360 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2ccc(Cl)cc21)[C@H](O)C(=O)[O-] ZINC001228911334 857238045 /nfs/dbraw/zinc/23/80/45/857238045.db2.gz CKRCBIYOUDKEBF-XCBNKYQSSA-N -3 0 370.701 0.431 20 0 FCADRL Cc1cccc2c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])[nH]c(=O)nc12 ZINC001229407844 857268388 /nfs/dbraw/zinc/26/83/88/857268388.db2.gz QGOHOEYYGXJOJJ-KCJUWKMLSA-N -2 0 350.283 0.086 20 0 FCADRL COC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(C)c1C ZINC001230981782 857353824 /nfs/dbraw/zinc/35/38/24/857353824.db2.gz VINPPIAXGXFSJP-GXFFZTMASA-N -2 0 354.311 0.532 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(O)cc(Br)c1)[C@H](O)C(=O)[O-] ZINC001231016309 857354073 /nfs/dbraw/zinc/35/40/73/857354073.db2.gz XADZNXLGRRMTQX-SCZZXKLOSA-N -2 0 363.116 0.597 20 0 FCADRL Cn1c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc2cc(Cl)cnc21 ZINC001231086835 857355676 /nfs/dbraw/zinc/35/56/76/857355676.db2.gz GBFUTTAPBTXKQQ-HZGVNTEJSA-N -2 0 357.706 0.064 20 0 FCADRL CCOC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1F ZINC001233592100 857387212 /nfs/dbraw/zinc/38/72/12/857387212.db2.gz BBQOKFMJJHFORM-CABZTGNLSA-N -2 0 358.274 0.444 20 0 FCADRL Cc1cc2c(cc1F)ncnc2OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001233850123 857391529 /nfs/dbraw/zinc/39/15/29/857391529.db2.gz JVHJZILPQCNSQW-UFBFGSQYSA-N -2 0 352.274 0.519 20 0 FCADRL COC(=O)Cc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(Cl)c1 ZINC001233963885 857394038 /nfs/dbraw/zinc/39/40/38/857394038.db2.gz TZPUUENIWUBFJQ-SECBINFHSA-N -2 0 368.662 0.431 20 0 FCADRL COC(=O)c1cc(F)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(F)c1 ZINC001234011087 857395213 /nfs/dbraw/zinc/39/52/13/857395213.db2.gz VAAFZAORRVPHJV-LHLIQPBNSA-N -2 0 362.237 0.193 20 0 FCADRL O=C(Oc1cnc(F)cc1Br)[C@H](O)COP(=O)([O-])[O-] ZINC001234211557 857398802 /nfs/dbraw/zinc/39/88/02/857398802.db2.gz FYEQTTRBHOHGKA-RXMQYKEDSA-N -2 0 360.028 0.359 20 0 FCADRL COC(=O)CCc1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234343861 857401828 /nfs/dbraw/zinc/40/18/28/857401828.db2.gz FJXOKNMYNZRXTJ-HZMBPMFUSA-N -2 0 354.311 0.234 20 0 FCADRL COC(=O)[C@H](C)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234820670 857412442 /nfs/dbraw/zinc/41/24/42/857412442.db2.gz NCOKWWKZVNTLBC-DFAYQTQMSA-N -2 0 354.311 0.405 20 0 FCADRL COc1cc(O)c(C)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1C(C)=O ZINC001234793058 857412485 /nfs/dbraw/zinc/41/24/85/857412485.db2.gz LNUOPCGWDSOWTK-SECBINFHSA-N -2 0 364.243 0.287 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc2c(c(Cl)c1)C(=O)CC2)[C@H](O)C(=O)[O-] ZINC001234847184 857413869 /nfs/dbraw/zinc/41/38/69/857413869.db2.gz VPSZHJXFYOIAGN-SDBXPKJASA-N -2 0 356.714 0.911 20 0 FCADRL O=P([O-])([O-])OCCNS(=O)(=O)c1ccc(Br)cc1 ZINC001251581712 857732614 /nfs/dbraw/zinc/73/26/14/857732614.db2.gz UNYBBIRCPCHLOR-UHFFFAOYSA-N -2 0 360.122 0.837 20 0 FCADRL NC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC001255647231 858027120 /nfs/dbraw/zinc/02/71/20/858027120.db2.gz BZJSKKLKOGSBFX-UHFFFAOYSA-N -2 0 373.387 0.984 20 0 FCADRL COC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccnc2)cc1 ZINC001259608524 858276076 /nfs/dbraw/zinc/27/60/76/858276076.db2.gz OMBAESKJKNULQB-UHFFFAOYSA-N -2 0 371.396 0.927 20 0 FCADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C(N)=O)nn1C ZINC001260222683 858356580 /nfs/dbraw/zinc/35/65/80/858356580.db2.gz AAHXRXZSZFYLKD-UHFFFAOYSA-N -2 0 352.372 0.580 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)c1 ZINC001303596891 866443528 /nfs/dbraw/zinc/44/35/28/866443528.db2.gz RSHMXLBOTMPZMX-XELLLNAOSA-N -2 0 363.443 0.797 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)cn1 ZINC001320746141 868261479 /nfs/dbraw/zinc/26/14/79/868261479.db2.gz HERAMSLPELGIOQ-UHFFFAOYSA-N -2 0 353.322 0.652 20 0 FCADRL CCN=c1nc2[n-]nc(SCC(=O)[N-]OC(C)(C)C)n2c(NCC)n1 ZINC001324576732 869625363 /nfs/dbraw/zinc/62/53/63/869625363.db2.gz HCXLDTHDOGDHOM-UHFFFAOYSA-N -2 0 368.467 0.743 20 0 FCADRL Cn1c(=O)sc2cc(S(=O)(=O)[N-]C(=O)CCCC(=O)[O-])ccc21 ZINC001329653735 872159075 /nfs/dbraw/zinc/15/90/75/872159075.db2.gz JASQCMCMSFQWPB-UHFFFAOYSA-N -2 0 358.397 0.660 20 0 FCADRL O=Cc1cncc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC001595298023 950154535 /nfs/dbraw/zinc/15/45/35/950154535.db2.gz BNDQUWMWTXEMLH-GHMZBOCLSA-N -2 0 373.287 0.630 20 0 FCADRL O=C([O-])[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC001595200022 952309011 /nfs/dbraw/zinc/30/90/11/952309011.db2.gz KZFJFMMTCXISAV-CYBMUJFWSA-N -2 0 368.411 0.866 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)Nc2cncc(C(=O)[O-])c2)c1 ZINC001593708653 954164919 /nfs/dbraw/zinc/16/49/19/954164919.db2.gz RRYGDENZFMPQRC-UHFFFAOYSA-N -2 0 365.367 0.988 20 0 FCADRL COC(=O)CC[C@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC001593848543 955437632 /nfs/dbraw/zinc/43/76/32/955437632.db2.gz ITVFDVAIIJUFIC-NSHDSACASA-N -2 0 358.372 0.194 20 0 FCADRL Cn1cc(/C=C\C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cn1 ZINC000852955764 955882198 /nfs/dbraw/zinc/88/21/98/955882198.db2.gz ARRAMSGRMSJSJP-HDTYDHQFSA-N -2 0 374.319 0.556 20 0 FCADRL Cc1ncc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c(C)n1 ZINC000852959275 955897907 /nfs/dbraw/zinc/89/79/07/955897907.db2.gz ZKTUWDZDVUMVAT-WDEREUQCSA-N -2 0 374.319 0.830 20 0 FCADRL O=C([O-])[C@@H](Cc1ccncc1)NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001594719734 956964117 /nfs/dbraw/zinc/96/41/17/956964117.db2.gz WSGUJBOLJXIJNS-CYBMUJFWSA-N -2 0 354.322 0.851 20 0 FCADRL CS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001594171562 959004168 /nfs/dbraw/zinc/00/41/68/959004168.db2.gz RADBCJBXUBKNMM-BONVTDFDSA-N -2 0 354.384 0.231 20 0 FCADRL Cc1cnn(C)c1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001594434776 959217938 /nfs/dbraw/zinc/21/79/38/959217938.db2.gz VAWBDQMZNWSFOZ-SCZZXKLOSA-N -2 0 362.308 0.465 20 0 FCADRL Cc1cnn(C)c1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001594434777 959218828 /nfs/dbraw/zinc/21/88/28/959218828.db2.gz VAWBDQMZNWSFOZ-WCBMZHEXSA-N -2 0 362.308 0.465 20 0 FCADRL CNS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000392133065 972413495 /nfs/dbraw/zinc/41/34/95/972413495.db2.gz HXFNDOCDYIHSHS-UHFFFAOYSA-N -2 0 374.396 0.995 20 0 FCADRL Cc1[nH]nc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1[O-] ZINC001594441205 959272878 /nfs/dbraw/zinc/27/28/78/959272878.db2.gz UZYFHCFEVDHUQL-HTRCEHHLSA-N -3 0 364.280 0.160 20 0 FCADRL C[C@H](NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ncccn2)c1)C(=O)[O-] ZINC001574288156 960666061 /nfs/dbraw/zinc/66/60/61/960666061.db2.gz HERDZFZZSATGFS-VIFPVBQESA-N -2 0 365.371 0.872 20 0 FCADRL CC[C@H](CNC(=O)c1cc([N-]S(C)(=O)=O)c(OC)c(OC)c1)C(=O)[O-] ZINC001573803824 960834925 /nfs/dbraw/zinc/83/49/25/960834925.db2.gz IYQGIVFAFOZKQD-SECBINFHSA-N -2 0 374.415 0.916 20 0 FCADRL CCc1cc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])no1 ZINC001573952115 961648264 /nfs/dbraw/zinc/64/82/64/961648264.db2.gz FDMBJTXEFSTTPA-WCBMZHEXSA-N -2 0 363.292 0.973 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)COC(F)(F)F ZINC001574647435 962392602 /nfs/dbraw/zinc/39/26/02/962392602.db2.gz NZWLRGGJELLCPG-IYSWYEEDSA-N -2 0 366.214 0.646 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccsn1 ZINC001574649373 962414183 /nfs/dbraw/zinc/41/41/83/962414183.db2.gz ZHWHWQVVQMSBEL-SVRRBLITSA-N -2 0 351.306 0.879 20 0 FCADRL O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)c3ccc4oc(=O)nc-4[n-]3)CC2)C1 ZINC001574649343 962414900 /nfs/dbraw/zinc/41/49/00/962414900.db2.gz ZBOUZQXQASSKPU-VIFPVBQESA-N -2 0 374.353 0.466 20 0 FCADRL COC[C@]1(C(=O)[O-])CCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)C1 ZINC001574133330 962550225 /nfs/dbraw/zinc/55/02/25/962550225.db2.gz HPIZTMDZAXYOFQ-INIZCTEOSA-N -2 0 362.342 0.308 20 0 FCADRL NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c1 ZINC000314172349 963720474 /nfs/dbraw/zinc/72/04/74/963720474.db2.gz CCWUQQMZHDGOAI-UHFFFAOYSA-N -2 0 362.410 0.895 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1coc(CO)c1 ZINC001594888267 970272726 /nfs/dbraw/zinc/27/27/26/970272726.db2.gz BGGDOGGCVSKRCX-VHSXEESVSA-N -2 0 364.276 0.508 20 0 FCADRL C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cnc(C(=O)[O-])cn2)C1=O ZINC001610053512 970646527 /nfs/dbraw/zinc/64/65/27/970646527.db2.gz BZCTUFSPXPIEBI-INIZCTEOSA-N -2 0 355.310 0.287 20 0 FCADRL CCc1cc(=O)n2nc(NC(=O)c3ccc(OCC(=O)[O-])cc3)[n-]c2n1 ZINC001603967319 974442996 /nfs/dbraw/zinc/44/29/96/974442996.db2.gz BHMZTXYXBQVONI-UHFFFAOYSA-N -2 0 357.326 0.696 20 0 FCADRL CC(C)c1sc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)nc1C(=O)[O-] ZINC001592111948 976904589 /nfs/dbraw/zinc/90/45/89/976904589.db2.gz UCTSYPJCYDGKIB-UHFFFAOYSA-N -2 0 362.371 0.988 20 0 FCADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccccc1NC(=O)C1CC1 ZINC001592359572 977841809 /nfs/dbraw/zinc/84/18/09/977841809.db2.gz HKRVEEWNJKCPSF-SECBINFHSA-N -2 0 354.384 0.951 20 0 FCADRL C[C@@H](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001592370588 977885613 /nfs/dbraw/zinc/88/56/13/977885613.db2.gz GYQCPUFNCGJUMK-WCQYABFASA-N -2 0 362.448 0.851 20 0 FCADRL C[C@H](C[C@@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1)C(=O)[O-] ZINC001592464335 978196749 /nfs/dbraw/zinc/19/67/49/978196749.db2.gz PAVPTAORXVYMQH-MNOVXSKESA-N -2 0 359.404 0.479 20 0 FCADRL C[C@@H](CN(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC001592564107 978457501 /nfs/dbraw/zinc/45/75/01/978457501.db2.gz SRWCGFJJYAIPMB-IACUBPJLSA-N -2 0 362.382 0.492 20 0 FCADRL C[C@@H](CNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C(=O)[O-] ZINC001592629739 978610101 /nfs/dbraw/zinc/61/01/01/978610101.db2.gz LZMOCTSNQWENIR-JTQLQIEISA-N -2 0 363.370 0.760 20 0 FCADRL O=C([O-])c1cn([C@H]2CCN(C(=O)c3n[n-]c4ccccc4c3=O)C2)nn1 ZINC000818317974 978913692 /nfs/dbraw/zinc/91/36/92/978913692.db2.gz OKFZXKMZTIRHCI-VIFPVBQESA-N -2 0 354.326 0.712 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001593011226 980245739 /nfs/dbraw/zinc/24/57/39/980245739.db2.gz OPGBHXMKPIDXME-GUBZILKMSA-N -2 0 350.437 0.483 20 0 FCADRL CC[C@@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1 ZINC001595413346 981013765 /nfs/dbraw/zinc/01/37/65/981013765.db2.gz KDCPNQUDZYJARY-WCQYABFASA-N -2 0 362.448 0.739 20 0 FCADRL CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001595546499 981411693 /nfs/dbraw/zinc/41/16/93/981411693.db2.gz DYRHCGMZJAKREI-YMTOWFKASA-N -2 0 366.436 0.989 20 0 FCADRL CCC[C@H](O)[C@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)[O-] ZINC001595608657 981613916 /nfs/dbraw/zinc/61/39/16/981613916.db2.gz LMNJRASLTUGBTM-CPCISQLKSA-N -2 0 367.326 0.556 20 0 FCADRL CCC[C@@H](O)[C@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)[O-] ZINC001595608660 981614157 /nfs/dbraw/zinc/61/41/57/981614157.db2.gz LMNJRASLTUGBTM-HQJQHLMTSA-N -2 0 367.326 0.556 20 0 FCADRL CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001595986327 983231259 /nfs/dbraw/zinc/23/12/59/983231259.db2.gz MPSGTPFMLIRFSE-VXGBXAGGSA-N -2 0 370.427 0.746 20 0 FCADRL CCCSC[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC001595986948 983233904 /nfs/dbraw/zinc/23/39/04/983233904.db2.gz GRGXETXFNKRGLQ-JTQLQIEISA-N -2 0 354.450 0.214 20 0 FCADRL C[C@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599900593 984816491 /nfs/dbraw/zinc/81/64/91/984816491.db2.gz ZNMDCINLIMAVJJ-WHFBIAKZSA-N -2 0 372.296 0.499 20 0 FCADRL CCOC(=O)c1c(C)nn(C)c1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001596696488 984836409 /nfs/dbraw/zinc/83/64/09/984836409.db2.gz FONZWRWUTKOMLF-UHFFFAOYSA-N -2 0 374.400 0.861 20 0 FCADRL CC(=O)[C@H]([N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1)c1ccccc1F ZINC001589024116 985029300 /nfs/dbraw/zinc/02/93/00/985029300.db2.gz CMWMAGZNCLSYEC-AWEZNQCLSA-N -2 0 355.347 0.715 20 0 FCADRL CC(=O)C[C@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C(=O)[O-] ZINC001589029385 985051901 /nfs/dbraw/zinc/05/19/01/985051901.db2.gz CLHKHEIVPGQYTN-QMMMGPOBSA-N -2 0 351.283 0.374 20 0 FCADRL CCOC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001596740639 985052469 /nfs/dbraw/zinc/05/24/69/985052469.db2.gz UFYOOBMUKRZFTK-UHFFFAOYSA-N -2 0 357.344 0.997 20 0 FCADRL CC(=O)N1CCc2cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])ccc21 ZINC001589090964 985276986 /nfs/dbraw/zinc/27/69/86/985276986.db2.gz BGSMFQHAKMZIHV-UHFFFAOYSA-N -2 0 368.411 0.766 20 0 FCADRL C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001599936361 985400617 /nfs/dbraw/zinc/40/06/17/985400617.db2.gz YNJBPFIFDYUUIY-IUCAKERBSA-N -2 0 372.365 0.712 20 0 FCADRL CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001589136363 985434962 /nfs/dbraw/zinc/43/49/62/985434962.db2.gz HJPSITHUEGCHIU-UHFFFAOYSA-N -2 0 363.417 0.343 20 0 FCADRL CC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001589191456 985600966 /nfs/dbraw/zinc/60/09/66/985600966.db2.gz KJULIQMGDUYKMQ-UHFFFAOYSA-N -2 0 353.356 0.852 20 0 FCADRL CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])n2C)s1 ZINC001589224379 985744487 /nfs/dbraw/zinc/74/44/87/985744487.db2.gz COBCOVCKTJZUCF-UHFFFAOYSA-N -2 0 372.384 0.257 20 0 FCADRL CCOC[C@H](NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-])C(=O)[O-] ZINC001596946318 986093965 /nfs/dbraw/zinc/09/39/65/986093965.db2.gz IYXLOWPVZLLTHI-LURJTMIESA-N -2 0 352.752 0.201 20 0 FCADRL CCOC[C@H](NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-])C(=O)[O-] ZINC001596946315 986094557 /nfs/dbraw/zinc/09/45/57/986094557.db2.gz IMACEXIXUXVMQQ-VIFPVBQESA-N -2 0 351.764 0.806 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cnn1C1CCOCC1 ZINC001599982148 986179365 /nfs/dbraw/zinc/17/93/65/986179365.db2.gz LEQHGNQNCRPNRE-UHFFFAOYSA-N -2 0 359.404 0.467 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])nnn1-c1ccccc1Cl ZINC001599982459 986183253 /nfs/dbraw/zinc/18/32/53/986183253.db2.gz VOOKTRJLYHGZAA-UHFFFAOYSA-N -2 0 372.790 0.763 20 0 FCADRL CCO[N-]C(=O)CNC(=O)C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001596969018 986188796 /nfs/dbraw/zinc/18/87/96/986188796.db2.gz UBYGXHZEEOZHJE-UHFFFAOYSA-N -2 0 369.399 0.448 20 0 FCADRL C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001594561008 986310857 /nfs/dbraw/zinc/31/08/57/986310857.db2.gz ALVZVODQOFGUTB-SNVBAGLBSA-N -2 0 361.358 0.125 20 0 FCADRL C[C@H](C(=O)NCc1ccccc1F)S(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001589416779 986659220 /nfs/dbraw/zinc/65/92/20/986659220.db2.gz ZXYHYVVCGRQNGB-MRVPVSSYSA-N -2 0 355.347 0.726 20 0 FCADRL C[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)N(C)CC(F)(F)F ZINC001589423082 986673633 /nfs/dbraw/zinc/67/36/33/986673633.db2.gz KZGVGKAOUXVFMF-ZCFIWIBFSA-N -2 0 358.294 0.665 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cn1cc(Br)cn1 ZINC001589450133 986837164 /nfs/dbraw/zinc/83/71/64/986837164.db2.gz AVCRNRPCFHZIDJ-BQBZGAKWSA-N -2 0 368.209 0.201 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CN1C(=O)CCc2ccccc21 ZINC001589451479 986844440 /nfs/dbraw/zinc/84/44/40/986844440.db2.gz IJTLFLFYNSTBQZ-GHMZBOCLSA-N -2 0 368.411 0.521 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCN(C)C(=O)OC(C)(C)C ZINC001589453190 986859041 /nfs/dbraw/zinc/85/90/41/986859041.db2.gz OSSJFAFPCUKECF-UWVGGRQHSA-N -2 0 366.436 0.799 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1c(Cl)nn(C)c1Cl ZINC001589454369 986878179 /nfs/dbraw/zinc/87/81/79/986878179.db2.gz VKLLNCGOJAUNSU-CRCLSJGQSA-N -2 0 358.203 0.896 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CNC(=O)CC1CCCCC1 ZINC001589455065 986890186 /nfs/dbraw/zinc/89/01/86/986890186.db2.gz ZFPQWFSSSVHOPV-GHMZBOCLSA-N -2 0 362.448 0.628 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cc1nn(C)c2ccccc12 ZINC001589455084 986890296 /nfs/dbraw/zinc/89/02/96/986890296.db2.gz ZKWOJOHVSQDGFT-ZJUUUORDSA-N -2 0 353.400 0.671 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1csc(-c2cnn(C)c2)n1 ZINC001589455242 986892559 /nfs/dbraw/zinc/89/25/59/986892559.db2.gz WPRSCIYJXLCHGG-JGVFFNPUSA-N -2 0 372.428 0.712 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(Cn2ccnn2)cc1 ZINC001589455226 986893036 /nfs/dbraw/zinc/89/30/36/986893036.db2.gz WIPYFDDIURKTGO-MNOVXSKESA-N -2 0 366.399 0.495 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cnn(-c2cccc(Cl)c2)n1 ZINC001589490404 987054527 /nfs/dbraw/zinc/05/45/27/987054527.db2.gz BCTIJTJDPUEHNY-SSDOTTSWSA-N -2 0 358.763 0.453 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001589492259 987062608 /nfs/dbraw/zinc/06/26/08/987062608.db2.gz RRJBXINMOWJYLR-CIUDSAMLSA-N -2 0 350.393 0.209 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)/C=C/c1ccc(Br)o1 ZINC001589492985 987066915 /nfs/dbraw/zinc/06/69/15/987066915.db2.gz AWVPOAHJJNVFHI-MXTDHUQFSA-N -2 0 352.162 0.974 20 0 FCADRL CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])o1 ZINC001589839236 988323219 /nfs/dbraw/zinc/32/32/19/988323219.db2.gz ZDTPIDGGFDXLLT-BDAKNGLRSA-N -2 0 360.388 0.016 20 0 FCADRL CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001589920798 988656595 /nfs/dbraw/zinc/65/65/95/988656595.db2.gz PDWDHNDLDZNGNQ-JTQLQIEISA-N -2 0 364.420 0.553 20 0 FCADRL C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1)C(=O)[O-] ZINC001599844946 988915760 /nfs/dbraw/zinc/91/57/60/988915760.db2.gz BBUUDRQQHXHNKD-ANLVUFKYSA-N -2 0 371.289 0.516 20 0 FCADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001597779505 989271276 /nfs/dbraw/zinc/27/12/76/989271276.db2.gz QGNJAGOONKACLN-UHFFFAOYSA-N -2 0 360.388 0.321 20 0 FCADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001597781413 989283157 /nfs/dbraw/zinc/28/31/57/989283157.db2.gz WWUXDGRCMBXGNU-SNVBAGLBSA-N -2 0 368.367 0.909 20 0 FCADRL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])nn1 ZINC001597790693 989313633 /nfs/dbraw/zinc/31/36/33/989313633.db2.gz COUJFMAZSSZIAK-UHFFFAOYSA-N -2 0 355.328 0.918 20 0 FCADRL CC(C)(C)OC(=O)NC1(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC1 ZINC001590125980 989366102 /nfs/dbraw/zinc/36/61/02/989366102.db2.gz XVLACTNUCRQKRZ-UHFFFAOYSA-N -2 0 350.393 0.355 20 0 FCADRL CCn1c(=O)[nH]c2cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])ccc21 ZINC001597832222 989503628 /nfs/dbraw/zinc/50/36/28/989503628.db2.gz NFIPWCGKAOLMDU-UHFFFAOYSA-N -2 0 355.372 0.686 20 0 FCADRL CCn1cc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])c(C(N)=O)n1 ZINC001597896301 989760980 /nfs/dbraw/zinc/76/09/80/989760980.db2.gz DBJITGJLNSIYCO-UHFFFAOYSA-N -2 0 352.372 0.809 20 0 FCADRL CCn1nc(C)c(CC(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1C ZINC001597933573 989898026 /nfs/dbraw/zinc/89/80/26/989898026.db2.gz BUESKRLOASSTBR-UHFFFAOYSA-N -2 0 355.372 0.859 20 0 FCADRL CC(C)(C)OC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])s1)C(=O)[O-] ZINC001590389093 989912458 /nfs/dbraw/zinc/91/24/58/989912458.db2.gz MHAMYQKXVMECHR-ZETCQYMHSA-N -2 0 351.402 0.993 20 0 FCADRL CC(C)(C)n1cnc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])n1 ZINC001590602773 990262327 /nfs/dbraw/zinc/26/23/27/990262327.db2.gz FACHZKAITQZNSI-UHFFFAOYSA-N -2 0 359.389 0.307 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21)C(=O)[O-] ZINC001590798163 990618949 /nfs/dbraw/zinc/61/89/49/990618949.db2.gz MMOWKXYLICLPBZ-HBNTYKKESA-N -2 0 360.432 0.238 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)[O-] ZINC001590798350 990621542 /nfs/dbraw/zinc/62/15/42/990621542.db2.gz TXPVCFJXBOLGDC-NSHDSACASA-N -2 0 368.411 0.596 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1cnn(CC(F)(F)F)c1)C(=O)[O-] ZINC001590799123 990626813 /nfs/dbraw/zinc/62/68/13/990626813.db2.gz LJABPRKCFUZZSX-UHFFFAOYSA-N -2 0 357.310 0.616 20 0 FCADRL CC(C)C(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC001590944069 990984975 /nfs/dbraw/zinc/98/49/75/990984975.db2.gz NGIAVUFBFBJNRO-LLVKDONJSA-N -2 0 358.372 0.487 20 0 FCADRL CC(C)[C@H](CNC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1)C(=O)[O-] ZINC001590988274 991180921 /nfs/dbraw/zinc/18/09/21/991180921.db2.gz HUOAFZXWHCCUOH-ZDUSSCGKSA-N -2 0 365.386 0.908 20 0 FCADRL CC(C)[C@@H](CNC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)[O-] ZINC001590989214 991196066 /nfs/dbraw/zinc/19/60/66/991196066.db2.gz SOJORDVNWWEXIE-GFCCVEGCSA-N -2 0 351.359 0.979 20 0 FCADRL CC(C)[C@@H](NC(=O)c1cccs1)C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001591019196 991302555 /nfs/dbraw/zinc/30/25/55/991302555.db2.gz HBWXXKOEMDJRAU-LLVKDONJSA-N -2 0 362.429 0.423 20 0 FCADRL CC(C)C1(O)CN(C(=O)c2ccc(-n3[nH]c(CC(=O)[O-])cc3=O)cc2)C1 ZINC001591067905 991519029 /nfs/dbraw/zinc/51/90/29/991519029.db2.gz LSCQPZBPBVLTMD-UHFFFAOYSA-N -2 0 359.382 0.636 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)Nc2nc(CC(=O)[O-])cs2)cn1 ZINC001599759894 992105851 /nfs/dbraw/zinc/10/58/51/992105851.db2.gz DLGAUZBWAGAPQY-UHFFFAOYSA-N -2 0 356.385 0.789 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cn1 ZINC001599760290 992112351 /nfs/dbraw/zinc/11/23/51/992112351.db2.gz JWNRFAWZZCGIAX-ZDUSSCGKSA-N -2 0 363.395 0.879 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1ccccc1 ZINC001598479796 992129913 /nfs/dbraw/zinc/12/99/13/992129913.db2.gz FGUPPZAVPUSBMH-WCQYABFASA-N -2 0 374.440 0.839 20 0 FCADRL CC(C)CN(CC(F)(F)F)C(=O)CS(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001591320693 992286687 /nfs/dbraw/zinc/28/66/87/992286687.db2.gz WOKMWHPTUFJJBF-UHFFFAOYSA-N -2 0 371.337 0.929 20 0 FCADRL CC(C)C[C@H](NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)C(=O)[O-] ZINC001591446894 992545958 /nfs/dbraw/zinc/54/59/58/992545958.db2.gz IQBLRLGZBKFNNH-JTQLQIEISA-N -2 0 354.363 0.257 20 0 FCADRL CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001591450450 992557484 /nfs/dbraw/zinc/55/74/84/992557484.db2.gz POMBYTQXLGDGDE-JTQLQIEISA-N -2 0 350.437 0.484 20 0 FCADRL CN1c2ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc2C(C)(C)C1=O ZINC001598545695 992942808 /nfs/dbraw/zinc/94/28/08/992942808.db2.gz IQZLPAPFDRTSLZ-UHFFFAOYSA-N -2 0 368.411 0.865 20 0 FCADRL CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001598550465 992997908 /nfs/dbraw/zinc/99/79/08/992997908.db2.gz HAXXIFPIOLXZCN-ZETCQYMHSA-N -2 0 362.310 0.089 20 0 FCADRL CN1C(=O)CN([N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)C1=O ZINC001598553619 993030551 /nfs/dbraw/zinc/03/05/51/993030551.db2.gz WSFDYBWLSKQAOE-UHFFFAOYSA-N -2 0 355.372 0.136 20 0 FCADRL CN1C[C@@H](C(=O)[O-])N(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC1=O ZINC001598564404 993125785 /nfs/dbraw/zinc/12/57/85/993125785.db2.gz UAIOFYYSBVPCCN-NSHDSACASA-N -2 0 362.317 0.084 20 0 FCADRL C[C@H](NC(=O)OCc1ccccc1)C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001593134242 993896582 /nfs/dbraw/zinc/89/65/82/993896582.db2.gz GYZLLYIUZBXGTK-JTQLQIEISA-N -2 0 358.372 0.222 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)[O-])cc1C(=O)[O-] ZINC001599612629 993975319 /nfs/dbraw/zinc/97/53/19/993975319.db2.gz IVKQVNKNCHTSJM-BXKDBHETSA-N -2 0 373.383 0.552 20 0 FCADRL COc1ccc(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])cc1C(=O)[O-] ZINC001599615135 994004432 /nfs/dbraw/zinc/00/44/32/994004432.db2.gz PDAJZEMHVSAKHM-CQSZACIVSA-N -2 0 361.372 0.145 20 0 FCADRL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC001598659447 994572159 /nfs/dbraw/zinc/57/21/59/994572159.db2.gz JGXRULWROPVBSE-UHFFFAOYSA-N -2 0 363.351 0.258 20 0 FCADRL CNC(=O)c1cncc(/C=C/C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001598662185 994614433 /nfs/dbraw/zinc/61/44/33/994614433.db2.gz VERTUWDQHKJQTL-NUNSBDKSSA-N -2 0 369.399 0.010 20 0 FCADRL CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](OC)C[C@@H]2C(=O)[O-])ccc1F ZINC001598673518 994800560 /nfs/dbraw/zinc/80/05/60/994800560.db2.gz RJLZDYZQGCBMPM-ZYHUDNBSSA-N -2 0 374.390 0.438 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])c1 ZINC001599682455 995004748 /nfs/dbraw/zinc/00/47/48/995004748.db2.gz AFLYSZPWDXDVTH-CANCMXDXSA-N -2 0 371.411 0.525 20 0 FCADRL COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC001598694674 995117659 /nfs/dbraw/zinc/11/76/59/995117659.db2.gz MQDUVJYQRLWRHB-SNVBAGLBSA-N -2 0 353.755 0.915 20 0 FCADRL COC(=O)CC[C@@H](NC(=O)c1nn(-c2cccc(F)c2)cc1[O-])C(=O)[O-] ZINC001598857283 996648723 /nfs/dbraw/zinc/64/87/23/996648723.db2.gz DOLSZUYVJVSZJB-LLVKDONJSA-N -2 0 365.317 0.853 20 0 FCADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001593864877 996669809 /nfs/dbraw/zinc/66/98/09/996669809.db2.gz KOOLLDGBOUNQAR-HNNXBMFYSA-N -3 0 373.358 0.759 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])cn1 ZINC001598875176 996758876 /nfs/dbraw/zinc/75/88/76/996758876.db2.gz VKXWSUMORBMGLA-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001598876459 996766195 /nfs/dbraw/zinc/76/61/95/996766195.db2.gz HACJSXFUYXGFRH-UHFFFAOYSA-N -2 0 365.389 0.125 20 0 FCADRL COc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])nc1Cl ZINC001599485305 996838593 /nfs/dbraw/zinc/83/85/93/996838593.db2.gz MXOBARKHOZDOCN-BQBZGAKWSA-N -2 0 350.780 0.912 20 0 FCADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001599381615 996862874 /nfs/dbraw/zinc/86/28/74/996862874.db2.gz LIQWUNMZVNKYSH-GFCCVEGCSA-N -2 0 369.355 0.231 20 0 FCADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-] ZINC001599382102 996873688 /nfs/dbraw/zinc/87/36/88/996873688.db2.gz KEQBTRGUPRDHIV-ZUZCIYMTSA-N -2 0 373.383 0.646 20 0 FCADRL COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC001599488507 996896406 /nfs/dbraw/zinc/89/64/06/996896406.db2.gz NWGNYVKWNOAANJ-BXKDBHETSA-N -2 0 364.354 0.901 20 0 FCADRL CC1(C)CN(S(=O)(=O)c2ccc(F)cc2C(=O)[O-])[C@@H](C(=O)[O-])CO1 ZINC001593946408 996995644 /nfs/dbraw/zinc/99/56/44/996995644.db2.gz DMPFUMMBIYYSSL-SNVBAGLBSA-N -2 0 361.347 0.777 20 0 FCADRL CC1(C)CN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)[C@H](C(=O)[O-])CO1 ZINC001593947143 997002138 /nfs/dbraw/zinc/00/21/38/997002138.db2.gz PFBZCZSSJOYJQX-NSHDSACASA-N -2 0 361.347 0.777 20 0 FCADRL COc1cc(C)cnc1C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001599395236 997112821 /nfs/dbraw/zinc/11/28/21/997112821.db2.gz SGYIQRADQSIZQE-UHFFFAOYSA-N -2 0 357.369 0.672 20 0 FCADRL COc1ccc([C@H](NC(=O)c2cnc([O-])n(C)c2=O)C(=O)[O-])c(OC)c1 ZINC001599522796 997508946 /nfs/dbraw/zinc/50/89/46/997508946.db2.gz KLVQBQKHOWWTRX-LBPRGKRZSA-N -2 0 363.326 0.059 20 0 FCADRL COc1cc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)c(C(=O)[O-])cc1OC ZINC001599430249 997746658 /nfs/dbraw/zinc/74/66/58/997746658.db2.gz RWZQMFULRCZSAE-SECBINFHSA-N -2 0 368.342 0.425 20 0 FCADRL COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC001599232598 997888945 /nfs/dbraw/zinc/88/89/45/997888945.db2.gz OHWSHPROLHQZAC-ZETCQYMHSA-N -2 0 367.326 0.773 20 0 FCADRL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC001598938118 997909200 /nfs/dbraw/zinc/90/92/00/997909200.db2.gz RRZSEUPYQOKYIW-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL CO[C@@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)[C@](C)(C(=O)[O-])C1 ZINC001599136354 998050912 /nfs/dbraw/zinc/05/09/12/998050912.db2.gz FPJJPPHEORISDO-NHYWBVRUSA-N -2 0 357.384 0.566 20 0 FCADRL COc1cc(OC)cc(S(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])no2)c1 ZINC001599453184 998141031 /nfs/dbraw/zinc/14/10/31/998141031.db2.gz FEYLCFHHYFMDMV-UHFFFAOYSA-N -2 0 356.312 0.509 20 0 FCADRL COc1cc(OC)cc([C@H](O)C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)c1 ZINC001599454591 998166579 /nfs/dbraw/zinc/16/65/79/998166579.db2.gz SXLMQHZLEZXDJB-GFCCVEGCSA-N -2 0 372.355 0.402 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2C)cs1 ZINC001598955316 998229366 /nfs/dbraw/zinc/22/93/66/998229366.db2.gz SSQQMWCTPZVCMO-UHFFFAOYSA-N -2 0 359.385 0.925 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ncc(OC)cn2)c(C(=O)[O-])s1 ZINC001598955366 998230975 /nfs/dbraw/zinc/23/09/75/998230975.db2.gz WRIIORPUTDNLRV-UHFFFAOYSA-N -2 0 373.368 0.832 20 0 FCADRL COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)[nH]1 ZINC001598960356 998317567 /nfs/dbraw/zinc/31/75/67/998317567.db2.gz WDWVRPSLPRKKPJ-UHFFFAOYSA-N -2 0 352.324 0.618 20 0 FCADRL COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001599367425 998357227 /nfs/dbraw/zinc/35/72/27/998357227.db2.gz LPXBYEZDJOPSQL-KOLCDFICSA-N -2 0 364.354 0.901 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001598968211 998463114 /nfs/dbraw/zinc/46/31/14/998463114.db2.gz GXLRLNZUIMCAGC-HNNXBMFYSA-N -2 0 371.367 0.657 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-] ZINC001598969405 998486407 /nfs/dbraw/zinc/48/64/07/998486407.db2.gz SRMGHVCBPVIUSD-NSHDSACASA-N -2 0 371.367 0.799 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001598969764 998493278 /nfs/dbraw/zinc/49/32/78/998493278.db2.gz YUZRPJPBFMPQFC-UHFFFAOYSA-N -2 0 371.367 0.657 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C(=O)[O-])C1CCC1 ZINC001598970223 998501905 /nfs/dbraw/zinc/50/19/05/998501905.db2.gz HMQSJORCIBDPIS-GFCCVEGCSA-N -2 0 371.367 0.703 20 0 FCADRL COCCn1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC001599272430 998562031 /nfs/dbraw/zinc/56/20/31/998562031.db2.gz ZLBNQUUJQFVILT-UHFFFAOYSA-N -2 0 353.356 0.346 20 0 FCADRL COCCn1cc(S(=O)(=O)[N-]c2cccc(OCC(=O)[O-])c2)cn1 ZINC001599272729 998565331 /nfs/dbraw/zinc/56/53/31/998565331.db2.gz CDEIZZKLTHAUBQ-UHFFFAOYSA-N -2 0 355.372 0.794 20 0 FCADRL COC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])c1 ZINC001598992208 998747951 /nfs/dbraw/zinc/74/79/51/998747951.db2.gz MEJJKIUFIOOKCR-UHFFFAOYSA-N -2 0 370.364 0.747 20 0 FCADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)C1 ZINC001594211086 998821435 /nfs/dbraw/zinc/82/14/35/998821435.db2.gz YTYQZVKPCSPPLV-AGIUHOORSA-N -2 0 368.430 0.905 20 0 FCADRL CO[C@H](C(=O)[O-])C(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001599025842 999015603 /nfs/dbraw/zinc/01/56/03/999015603.db2.gz GTEGCFULAOQHSX-OLZOCXBDSA-N -2 0 370.789 0.710 20 0 FCADRL CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1ncn(CC(=O)[O-])n1 ZINC001599060955 999264975 /nfs/dbraw/zinc/26/49/75/999264975.db2.gz YTBKWWYGMOMSOH-LBPRGKRZSA-N -2 0 372.378 0.501 20 0 FCADRL C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C[C@@H]1C(=O)[O-] ZINC001594392072 999478560 /nfs/dbraw/zinc/47/85/60/999478560.db2.gz BIYPFCNWRKMJQC-XYJRDEOASA-N -2 0 352.387 0.125 20 0 FCADRL C[C@H]1Cc2cc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])ccc2O1 ZINC000278799122 212487068 /nfs/dbraw/zinc/48/70/68/212487068.db2.gz VUVAFJAFVXNRQB-JOYOIKCWSA-N -2 0 357.384 0.996 20 0 FCADRL CC(C)Cn1cnc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1 ZINC000275188101 211978910 /nfs/dbraw/zinc/97/89/10/211978910.db2.gz XMHTWPNLQYVWAU-WDEREUQCSA-N -2 0 359.404 0.335 20 0 FCADRL CC(=O)Nc1cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])ccc1F ZINC000275061045 211954451 /nfs/dbraw/zinc/95/44/51/211954451.db2.gz YXBGDODXWGLZRB-QMMMGPOBSA-N -2 0 362.335 0.238 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000275052439 211953464 /nfs/dbraw/zinc/95/34/64/211953464.db2.gz XLYWQEDKNRTCBX-UHFFFAOYSA-N -2 0 356.356 0.121 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1)C(=O)[O-] ZINC000274926147 211930790 /nfs/dbraw/zinc/93/07/90/211930790.db2.gz NYIHXOOIWIFVFB-QMMMGPOBSA-N -2 0 357.262 0.791 20 0 FCADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)c1 ZINC000436853687 248053119 /nfs/dbraw/zinc/05/31/19/248053119.db2.gz RQVWHGOCKRDWRZ-UHFFFAOYSA-N -2 0 368.371 0.272 20 0 FCADRL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c(C(N)=O)n1 ZINC000436887790 248054061 /nfs/dbraw/zinc/05/40/61/248054061.db2.gz PRMHBJGZVJTWAJ-UHFFFAOYSA-N -2 0 368.371 0.515 20 0 FCADRL CN(C)c1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC000443468638 248326452 /nfs/dbraw/zinc/32/64/52/248326452.db2.gz VDFNYDYNTHLAQQ-UHFFFAOYSA-N -3 0 366.355 0.740 20 0 FCADRL Cc1nc(=NC2CCN(S(=O)(=O)[N-]CC(F)(F)F)CC2)s[n-]1 ZINC000444824935 248369549 /nfs/dbraw/zinc/36/95/49/248369549.db2.gz IXFYGTMYDCFLDR-UHFFFAOYSA-N -2 0 359.399 0.541 20 0 FCADRL COc1cncc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(=O)[O-])cc2)c1 ZINC000410361681 533132453 /nfs/dbraw/zinc/13/24/53/533132453.db2.gz VQZUTXZOUYUZHO-UHFFFAOYSA-N -2 0 365.367 0.705 20 0 FCADRL Cc1nc(Cl)ccc1S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000287429959 488869007 /nfs/dbraw/zinc/86/90/07/488869007.db2.gz GRCJXYRKDPHABW-ZDUSSCGKSA-N -2 0 362.791 0.984 20 0 FCADRL CN1C(=O)Cc2cc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])ccc21 ZINC000278587492 488883080 /nfs/dbraw/zinc/88/30/80/488883080.db2.gz DWFVMXQXRHWLHZ-LLVKDONJSA-N -2 0 370.383 0.192 20 0 FCADRL Cc1nc(Cl)ccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000287622380 488888566 /nfs/dbraw/zinc/88/85/66/488888566.db2.gz SPYIODKIOCWHDN-DTWKUNHWSA-N -2 0 362.791 0.839 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cccc(S(C)(=O)=O)c2)cc1C(=O)[O-] ZINC000320651318 488900540 /nfs/dbraw/zinc/90/05/40/488900540.db2.gz KASGQGODQMKUIW-UHFFFAOYSA-N -2 0 358.397 0.928 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1 ZINC000321267763 488901263 /nfs/dbraw/zinc/90/12/63/488901263.db2.gz UYZDVFJBBHQXGM-UHFFFAOYSA-N -2 0 360.369 0.734 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc1OC ZINC000278810733 488897273 /nfs/dbraw/zinc/89/72/73/488897273.db2.gz WZNFHVGMJWZAPO-SNVBAGLBSA-N -2 0 361.372 0.690 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cccc1S(N)(=O)=O ZINC000324367944 488905585 /nfs/dbraw/zinc/90/55/85/488905585.db2.gz JYLJLVBBHJVOGI-UHFFFAOYSA-N -2 0 373.412 0.480 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]NC(=O)NC2CCCC2)cc1C(=O)[O-] ZINC000065832991 488321862 /nfs/dbraw/zinc/32/18/62/488321862.db2.gz UPUKTRPAKFAYJS-UHFFFAOYSA-N -2 0 357.388 0.829 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)n1 ZINC000067890905 488357834 /nfs/dbraw/zinc/35/78/34/488357834.db2.gz KBQISYZHPRMLDU-UHFFFAOYSA-N -2 0 369.355 0.564 20 0 FCADRL CCC[C@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)C(=O)[O-] ZINC000262659561 488585031 /nfs/dbraw/zinc/58/50/31/488585031.db2.gz LFNQAKKOMBPQFE-JTQLQIEISA-N -3 0 368.408 0.729 20 0 FCADRL C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000262739883 488589344 /nfs/dbraw/zinc/58/93/44/488589344.db2.gz JGDSDIFKGWAXSR-UWVGGRQHSA-N -2 0 362.429 0.117 20 0 FCADRL CC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC000263066314 488603788 /nfs/dbraw/zinc/60/37/88/488603788.db2.gz YWXKNQIWKYGWCL-LLVKDONJSA-N -2 0 357.388 0.610 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CC(=O)N(C)C)n1 ZINC000266782263 488729724 /nfs/dbraw/zinc/72/97/24/488729724.db2.gz NLUYAHHXRASFDZ-UHFFFAOYSA-N -2 0 356.360 0.372 20 0 FCADRL C[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC000274874299 488739791 /nfs/dbraw/zinc/73/97/91/488739791.db2.gz BKCYQASZLUEKMI-MOFOKWOHSA-N -2 0 374.159 0.840 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000274946024 488746519 /nfs/dbraw/zinc/74/65/19/488746519.db2.gz HDENFDCOSVYBBQ-LURJTMIESA-N -2 0 367.177 0.298 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc3nonc32)C1 ZINC000274949704 488747040 /nfs/dbraw/zinc/74/70/40/488747040.db2.gz AFUKWJBGRKUTMY-CYBMUJFWSA-N -2 0 355.328 0.163 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC3)CC[C@@H]1C(=O)[O-] ZINC000274986748 488751041 /nfs/dbraw/zinc/75/10/41/488751041.db2.gz DRQGANNATLFVAC-KBPBESRZSA-N -2 0 353.396 0.971 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)C[C@H]1C(=O)[O-] ZINC000274986773 488751047 /nfs/dbraw/zinc/75/10/47/488751047.db2.gz DRQGANNATLFVAC-ZIAGYGMSSA-N -2 0 353.396 0.971 20 0 FCADRL COc1cccc(OC)c1S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000274998908 488751977 /nfs/dbraw/zinc/75/19/77/488751977.db2.gz FWTPHWBZSSCDHV-OAHLLOKOSA-N -2 0 373.383 0.644 20 0 FCADRL COC(=O)c1c(F)cccc1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-] ZINC000275026153 488754146 /nfs/dbraw/zinc/75/41/46/488754146.db2.gz SOTRMYRRLYOOCS-ZETCQYMHSA-N -2 0 363.319 0.066 20 0 FCADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CCS(C)(=O)=O ZINC000275042976 488755914 /nfs/dbraw/zinc/75/59/14/488755914.db2.gz RGEVXQJQSNZOCH-UHFFFAOYSA-N -2 0 365.429 0.960 20 0 FCADRL COc1cc(OC)cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1 ZINC000275144263 488766129 /nfs/dbraw/zinc/76/61/29/488766129.db2.gz QRYRRCFOEVIYHJ-CHWSQXEVSA-N -2 0 373.383 0.500 20 0 FCADRL Cc1cc2c(cc1S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1)OCO2 ZINC000279963588 488977035 /nfs/dbraw/zinc/97/70/35/488977035.db2.gz IZDYKBPHQGPZTN-HNNXBMFYSA-N -2 0 371.367 0.664 20 0 FCADRL COc1cccc([C@]2(C)NC(=O)N([N-]C(=O)c3cncc(O)c3)C2=O)c1 ZINC000366187161 489155853 /nfs/dbraw/zinc/15/58/53/489155853.db2.gz QYWRDPMKCCHIHE-KRWDZBQOSA-N -2 0 356.338 0.908 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 ZINC000298833507 489371359 /nfs/dbraw/zinc/37/13/59/489371359.db2.gz BCEDQWBUHBORSL-UHFFFAOYSA-N -2 0 366.399 0.447 20 0 FCADRL CC(C)(C)c1cc(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)no1 ZINC000563712916 491264817 /nfs/dbraw/zinc/26/48/17/491264817.db2.gz FCEJMHPOLDBXKL-MNOVXSKESA-N -2 0 374.415 0.909 20 0 FCADRL C[C@H](NC(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C)c1)C(=O)[O-] ZINC000427327275 489603188 /nfs/dbraw/zinc/60/31/88/489603188.db2.gz KUGXRZUSRZOUBD-ZETCQYMHSA-N -2 0 358.401 0.485 20 0 FCADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(N)=O)c1 ZINC000476408148 489885002 /nfs/dbraw/zinc/88/50/02/489885002.db2.gz QVQYUNRZMLAULH-UHFFFAOYSA-N -2 0 372.790 0.829 20 0 FCADRL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cc(-c3ccccn3)no2)s1 ZINC000461872574 489942852 /nfs/dbraw/zinc/94/28/52/489942852.db2.gz VQNQTHUSVYXKIZ-UHFFFAOYSA-N -2 0 366.384 1.212 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CS(N)(=O)=O)c1 ZINC000462067292 489955013 /nfs/dbraw/zinc/95/50/13/489955013.db2.gz LINVCZKNJNTORL-UHFFFAOYSA-N -2 0 374.396 0.876 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)Cc2cccc(F)c2F)CC[C@@H]1C(=O)[O-] ZINC000571214451 491293474 /nfs/dbraw/zinc/29/34/74/491293474.db2.gz KZUPJJZAFCCOAA-UWVGGRQHSA-N -2 0 363.338 0.902 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)Cc2cccc(F)c2F)C[C@@H]1C(=O)[O-] ZINC000571214453 491293537 /nfs/dbraw/zinc/29/35/37/491293537.db2.gz KZUPJJZAFCCOAA-ZJUUUORDSA-N -2 0 363.338 0.902 20 0 FCADRL CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(CC(=O)[O-])C(C)C ZINC000479181424 490071921 /nfs/dbraw/zinc/07/19/21/490071921.db2.gz AYONIGSTAFPGBG-UHFFFAOYSA-N -2 0 364.445 0.469 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)cnn1C ZINC000464840880 490072046 /nfs/dbraw/zinc/07/20/46/490072046.db2.gz WEJPSRSVZHDOAJ-UHFFFAOYSA-N -2 0 352.372 0.344 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000389915497 490135524 /nfs/dbraw/zinc/13/55/24/490135524.db2.gz CUAHYZQLVCQAMV-UHFFFAOYSA-N -2 0 357.262 0.745 20 0 FCADRL CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cn1 ZINC000392177957 490148276 /nfs/dbraw/zinc/14/82/76/490148276.db2.gz WLCPXKXPCBJLGJ-UHFFFAOYSA-N -2 0 370.408 0.913 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cc1C(N)=O ZINC000392790921 490156025 /nfs/dbraw/zinc/15/60/25/490156025.db2.gz YHHBORZHHCZDHD-UHFFFAOYSA-N -2 0 366.351 0.999 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cn1 ZINC000545831375 490157541 /nfs/dbraw/zinc/15/75/41/490157541.db2.gz XVAZWSVZQRXWTD-UHFFFAOYSA-N -2 0 353.356 0.484 20 0 FCADRL NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000547241788 490273283 /nfs/dbraw/zinc/27/32/83/490273283.db2.gz XAROYYLYYQRLKF-UHFFFAOYSA-N -2 0 370.408 0.762 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000547596307 490326867 /nfs/dbraw/zinc/32/68/67/490326867.db2.gz GDIZSOJWWKOTJG-NWDGAFQWSA-N -2 0 372.355 0.532 20 0 FCADRL C[C@](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)(CC(=O)[O-])C(=O)[O-] ZINC000547608068 490328879 /nfs/dbraw/zinc/32/88/79/490328879.db2.gz IRFXLWQJCLRKLW-CYBMUJFWSA-N -3 0 362.310 0.680 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c1C ZINC000547608403 490330031 /nfs/dbraw/zinc/33/00/31/490330031.db2.gz BGBGBWXPFVAJQQ-HNNXBMFYSA-N -2 0 373.383 0.626 20 0 FCADRL C[C@](CNS(=O)(=O)c1ccc(C(F)(F)F)cn1)(CC(=O)[O-])C(=O)[O-] ZINC000547609008 490330479 /nfs/dbraw/zinc/33/04/79/490330479.db2.gz OAWWKJMLOOBHSV-LLVKDONJSA-N -2 0 370.305 0.944 20 0 FCADRL Cc1ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc1[N+](=O)[O-] ZINC000547615113 490331405 /nfs/dbraw/zinc/33/14/05/490331405.db2.gz LXFJWRFEXYOBOE-ZDUSSCGKSA-N -2 0 360.344 0.747 20 0 FCADRL COCc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1 ZINC000547924463 490388615 /nfs/dbraw/zinc/38/86/15/490388615.db2.gz BULQDKIMZMPCGV-OLZOCXBDSA-N -2 0 357.384 0.629 20 0 FCADRL CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000509570529 490440068 /nfs/dbraw/zinc/44/00/68/490440068.db2.gz QUVQCWIEQFPVBH-UHFFFAOYSA-N -2 0 352.372 0.470 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCO)cc2)c[nH]1 ZINC000509600340 490441929 /nfs/dbraw/zinc/44/19/29/490441929.db2.gz INHRBMOBKBQEHZ-UHFFFAOYSA-N -2 0 367.383 0.626 20 0 FCADRL C[C@H](CCCCC(=O)[O-])NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000548214425 490442374 /nfs/dbraw/zinc/44/23/74/490442374.db2.gz VVOCAXSEMXKSEE-MRVPVSSYSA-N -2 0 370.387 0.748 20 0 FCADRL CCn1nc(C)c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1C ZINC000548244104 490448384 /nfs/dbraw/zinc/44/83/84/490448384.db2.gz HCTZEWOLCALPLE-MNOVXSKESA-N -2 0 359.404 0.316 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000564855613 491331436 /nfs/dbraw/zinc/33/14/36/491331436.db2.gz GTWLVZKPVFSKTI-OIBJUYFYSA-N -2 0 370.387 0.460 20 0 FCADRL Cc1ccc2cccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c2n1 ZINC000548540191 490501593 /nfs/dbraw/zinc/50/15/93/490501593.db2.gz DARWLOLAFLLPII-NSHDSACASA-N -2 0 352.368 0.997 20 0 FCADRL COCc1ccccc1S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000548573253 490508954 /nfs/dbraw/zinc/50/89/54/490508954.db2.gz FYLSOFLEJOYXEE-HNNXBMFYSA-N -2 0 357.384 0.773 20 0 FCADRL CCn1nccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1-n1cnnc1 ZINC000548590972 490513252 /nfs/dbraw/zinc/51/32/52/490513252.db2.gz HTYQFWRUFMATGO-UHFFFAOYSA-N -2 0 362.371 0.983 20 0 FCADRL C[C@](CNS(=O)(=O)c1cc(F)c(F)cc1F)(CC(=O)[O-])C(=O)[O-] ZINC000548594965 490514251 /nfs/dbraw/zinc/51/42/51/490514251.db2.gz KEFUIKKSMRKZKI-GFCCVEGCSA-N -2 0 355.290 0.948 20 0 FCADRL Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn(C)c1=O ZINC000486534415 490643669 /nfs/dbraw/zinc/64/36/69/490643669.db2.gz WYNKMOOLKYHLBK-UHFFFAOYSA-N -2 0 366.351 0.891 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1C(=O)[O-] ZINC000537639234 490686972 /nfs/dbraw/zinc/68/69/72/490686972.db2.gz QZNWCAIINDBFJO-UHFFFAOYSA-N -2 0 352.328 0.250 20 0 FCADRL Cn1cnn(-c2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2)c1=O ZINC000537738348 490693024 /nfs/dbraw/zinc/69/30/24/490693024.db2.gz BGRXGZJORUVUEC-UHFFFAOYSA-N -2 0 363.355 0.398 20 0 FCADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)c1 ZINC000512739391 490695456 /nfs/dbraw/zinc/69/54/56/490695456.db2.gz SVWLUWMUIWTHEP-UHFFFAOYSA-N -2 0 356.335 0.315 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1C(=O)[O-] ZINC000538742351 490747334 /nfs/dbraw/zinc/74/73/34/490747334.db2.gz HXRRXPNNZHKKKB-UHFFFAOYSA-N -2 0 367.387 0.483 20 0 FCADRL CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cnn(C)c3C(=O)[O-])cc21 ZINC000539191434 490767338 /nfs/dbraw/zinc/76/73/38/490767338.db2.gz NUONPCKVHZLGMN-UHFFFAOYSA-N -2 0 364.383 0.828 20 0 FCADRL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000539808112 490797188 /nfs/dbraw/zinc/79/71/88/490797188.db2.gz MCQUZQURGZDIRF-UHFFFAOYSA-N -2 0 357.344 0.861 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000539841752 490797765 /nfs/dbraw/zinc/79/77/65/490797765.db2.gz HMLJPSGRKTUBGN-UHFFFAOYSA-N -3 0 355.328 0.626 20 0 FCADRL CO[C@@H](CS(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c1ccccc1 ZINC000562643038 491178168 /nfs/dbraw/zinc/17/81/68/491178168.db2.gz DAUSPHFKHNBEGJ-WFASDCNBSA-N -2 0 359.400 0.859 20 0 FCADRL CNC(=O)c1ccc(CS(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC000565426686 491375740 /nfs/dbraw/zinc/37/57/40/491375740.db2.gz IIUKLYDUPYXVNE-OAHLLOKOSA-N -2 0 372.399 0.031 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccc3c2OCO3)C[C@H]1C(=O)[O-] ZINC000573388101 491430803 /nfs/dbraw/zinc/43/08/03/491430803.db2.gz HILLTTLXKYUCFC-RKDXNWHRSA-N -2 0 357.340 0.211 20 0 FCADRL Cc1ncsc1CCS(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000568096320 491552888 /nfs/dbraw/zinc/55/28/88/491552888.db2.gz XERJUQQXLTVRNK-GFCCVEGCSA-N -2 0 350.418 0.479 20 0 FCADRL Cn1cc(C[C@H](C[N-]S(=O)(=O)c2c(F)cccc2F)C(=O)[O-])cn1 ZINC000577694117 491642902 /nfs/dbraw/zinc/64/29/02/491642902.db2.gz IJJBEVHQYCLPOH-SNVBAGLBSA-N -2 0 359.354 0.920 20 0 FCADRL COCc1ccc(OC)c(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000579839381 491706634 /nfs/dbraw/zinc/70/66/34/491706634.db2.gz VAIPLXMKDNEAMD-SNVBAGLBSA-N -2 0 361.372 0.295 20 0 FCADRL Cc1ncsc1CCS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000582006411 491793891 /nfs/dbraw/zinc/79/38/91/491793891.db2.gz JKJCWWPRSHXJGL-ZJUUUORDSA-N -2 0 362.429 0.431 20 0 FCADRL COC(=O)c1csc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000614327581 492024795 /nfs/dbraw/zinc/02/47/95/492024795.db2.gz FZGRXCWAAWHKGY-SSDOTTSWSA-N -2 0 351.358 0.131 20 0 FCADRL C[C@@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000605653100 492101244 /nfs/dbraw/zinc/10/12/44/492101244.db2.gz IKXOVCCEEICKFM-VIFPVBQESA-N -2 0 367.383 0.624 20 0 FCADRL CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC000621602201 492396387 /nfs/dbraw/zinc/39/63/87/492396387.db2.gz NBIUIGZAFSAVJU-SNVBAGLBSA-N -2 0 358.441 0.948 20 0 FCADRL C[C@H](CNC(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C)c1)C(=O)[O-] ZINC000655559004 492457082 /nfs/dbraw/zinc/45/70/82/492457082.db2.gz ADGORXKOMZCCAL-MRVPVSSYSA-N -2 0 372.428 0.733 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc3c(c2)C(=O)CC3)C1 ZINC000656158510 492558760 /nfs/dbraw/zinc/55/87/60/492558760.db2.gz JYCMZXYFJQMHCL-INIZCTEOSA-N -2 0 367.379 0.756 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1cnc2onc(C3CC3)c2c1)C(=O)[O-] ZINC000650388227 492637036 /nfs/dbraw/zinc/63/70/36/492637036.db2.gz YEXDDMBVYDBRGV-VIFPVBQESA-N -2 0 355.328 0.306 20 0 FCADRL COc1cc(F)c(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c(F)c1 ZINC000681563055 493186341 /nfs/dbraw/zinc/18/63/41/493186341.db2.gz KBOGZUABQVZNOT-SECBINFHSA-N -2 0 353.299 0.570 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-] ZINC000681562268 493186698 /nfs/dbraw/zinc/18/66/98/493186698.db2.gz AEJNDSJJXCNKIH-SECBINFHSA-N -2 0 374.346 0.307 20 0 FCADRL COc1cc(F)c(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)c(F)c1 ZINC000681566070 493186804 /nfs/dbraw/zinc/18/68/04/493186804.db2.gz GZQSFTFPWPUNKI-RDDDGLTNSA-N -2 0 351.327 0.741 20 0 FCADRL COc1cc(F)c(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c(F)c1 ZINC000681578769 493189321 /nfs/dbraw/zinc/18/93/21/493189321.db2.gz TWAUNMYDSASVKA-LURJTMIESA-N -2 0 353.299 0.427 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c(F)c1 ZINC000681577570 493189516 /nfs/dbraw/zinc/18/95/16/493189516.db2.gz BTIIWPSKIPNRFQ-QMMMGPOBSA-N -2 0 362.335 0.238 20 0 FCADRL Cc1ccc2cccnc2c1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-] ZINC000681578734 493189610 /nfs/dbraw/zinc/18/96/10/493189610.db2.gz SGULEVUNDNGQED-NSHDSACASA-N -2 0 352.368 0.997 20 0 FCADRL O=C([O-])Cc1ccc(C[C@@H](NS(=O)(=O)N2CCCC2)C(=O)[O-])cc1 ZINC000684562455 493419057 /nfs/dbraw/zinc/41/90/57/493419057.db2.gz XNLPGXTZMDSJGA-CYBMUJFWSA-N -2 0 356.400 0.240 20 0 FCADRL CCN(CC)S(=O)(=O)N[C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684561644 493419363 /nfs/dbraw/zinc/41/93/63/493419363.db2.gz JQRNBODYUBOJSV-CYBMUJFWSA-N -2 0 358.416 0.486 20 0 FCADRL CCCc1cc(=O)n2[n-]c(NS(=O)(=O)c3cncc(F)c3)nc2n1 ZINC000675304943 493476159 /nfs/dbraw/zinc/47/61/59/493476159.db2.gz PAWXNKFXCZFNBD-UHFFFAOYSA-N -2 0 352.351 0.705 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NCC1(C(=O)[O-])CCC1 ZINC000663142319 493574746 /nfs/dbraw/zinc/57/47/46/493574746.db2.gz XHFNIZFSYUCOSI-UHFFFAOYSA-N -2 0 357.370 0.861 20 0 FCADRL O=C([O-])[C@H]1CC(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)=NN1c1ccccc1 ZINC000821483477 598055359 /nfs/dbraw/zinc/05/53/59/598055359.db2.gz DDGKDIRFBVXJEQ-SMDDNHRTSA-N -2 0 369.385 0.625 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)Cn2ncc3ccccc32)CC1 ZINC000739358420 599704426 /nfs/dbraw/zinc/70/44/26/599704426.db2.gz RAEPDCLOYLFXME-UHFFFAOYSA-N -2 0 366.399 0.194 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)Nc3ccn(CC(=O)[O-])n3)cc2[n-]c1=S ZINC000739014197 599741448 /nfs/dbraw/zinc/74/14/48/599741448.db2.gz LCZROJGZUPVMSM-UHFFFAOYSA-N -2 0 359.367 0.756 20 0 FCADRL Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)c3ccsc3C(=O)[O-])c2n1 ZINC000738792507 599793186 /nfs/dbraw/zinc/79/31/86/599793186.db2.gz LCBXGKGZTICFFW-UHFFFAOYSA-N -2 0 366.380 0.916 20 0 FCADRL O=C([O-])NCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000739957511 599798375 /nfs/dbraw/zinc/79/83/75/599798375.db2.gz UDRQYVRAQTWAHR-UHFFFAOYSA-N -2 0 355.372 0.424 20 0 FCADRL NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])s1 ZINC000739176825 599824101 /nfs/dbraw/zinc/82/41/01/599824101.db2.gz JAGKIBBDXHLVDU-UHFFFAOYSA-N -2 0 360.394 0.725 20 0 FCADRL CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000738150334 599965939 /nfs/dbraw/zinc/96/59/39/599965939.db2.gz OJJZDUSOHMEPMY-UHFFFAOYSA-N -2 0 355.415 0.076 20 0 FCADRL CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1nc(C)c(C(=O)[O-])s1 ZINC000737155346 600054463 /nfs/dbraw/zinc/05/44/63/600054463.db2.gz TVTHLPNBYVDUTE-UHFFFAOYSA-N -2 0 360.373 0.850 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]c2ccc(CC(=O)NCC(=O)[O-])cc2)c[nH]1 ZINC000738889134 600096222 /nfs/dbraw/zinc/09/62/22/600096222.db2.gz PTQZZUITWLAFNH-UHFFFAOYSA-N -2 0 352.372 0.262 20 0 FCADRL CC(C)CCO[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000736431900 600129793 /nfs/dbraw/zinc/12/97/93/600129793.db2.gz IXDPKALJWIANPV-NSHDSACASA-N -2 0 350.437 0.595 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1 ZINC000737683695 600150847 /nfs/dbraw/zinc/15/08/47/600150847.db2.gz GWKLEGDRYNWEPJ-UHFFFAOYSA-N -2 0 371.309 0.195 20 0 FCADRL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000737647889 600230440 /nfs/dbraw/zinc/23/04/40/600230440.db2.gz BBRJMWIUWWWBTE-UHFFFAOYSA-N -2 0 353.356 0.933 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(N3CCNC3=O)c2)c1C(=O)[O-] ZINC000738828203 600232701 /nfs/dbraw/zinc/23/27/01/600232701.db2.gz RJXSCYYFBQTLJC-UHFFFAOYSA-N -2 0 365.371 0.747 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)CCCn2ccccc2=O)s1 ZINC000739243133 600273258 /nfs/dbraw/zinc/27/32/58/600273258.db2.gz HVUIWYIGDCIYLZ-UHFFFAOYSA-N -2 0 370.408 0.893 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C(=O)[O-])c2)cc1C(N)=O ZINC000738652710 600440721 /nfs/dbraw/zinc/44/07/21/600440721.db2.gz RNSJTLJPUXUAGQ-UHFFFAOYSA-N -2 0 362.363 0.911 20 0 FCADRL COc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc2c1O[C@@H](C)C2 ZINC000737849167 600460162 /nfs/dbraw/zinc/46/01/62/600460162.db2.gz MRNJKJIVIGUJGC-VIFPVBQESA-N -2 0 357.384 0.943 20 0 FCADRL Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000738377956 600461574 /nfs/dbraw/zinc/46/15/74/600461574.db2.gz BOGQVMLEUVDHME-UHFFFAOYSA-N -2 0 354.388 0.579 20 0 FCADRL Cn1cc(-c2nc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cs2)cn1 ZINC000739015944 600462594 /nfs/dbraw/zinc/46/25/94/600462594.db2.gz SGZHSSBSVZTBLJ-UHFFFAOYSA-N -2 0 358.401 0.468 20 0 FCADRL CC(C)CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C(C)C ZINC000736396074 600462902 /nfs/dbraw/zinc/46/29/02/600462902.db2.gz LXLLDYNYYMRJCL-CYBMUJFWSA-N -2 0 350.437 0.484 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCCNC(=O)c1ccccc1 ZINC000739693288 600464718 /nfs/dbraw/zinc/46/47/18/600464718.db2.gz XWNGAABVGYQYBL-UHFFFAOYSA-N -2 0 356.400 0.507 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])nnn1-c1ccc(C)cc1 ZINC000738499183 600465513 /nfs/dbraw/zinc/46/55/13/600465513.db2.gz DABBWDGUBFBFHC-UHFFFAOYSA-N -2 0 366.399 0.809 20 0 FCADRL CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cc1 ZINC000737135847 600518491 /nfs/dbraw/zinc/51/84/91/600518491.db2.gz LVNXBVAILOSYIQ-GFCCVEGCSA-N -2 0 370.383 0.387 20 0 FCADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cn1 ZINC000739911624 600530466 /nfs/dbraw/zinc/53/04/66/600530466.db2.gz HNXASCQFTYTHSY-UHFFFAOYSA-N -2 0 368.346 0.792 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)ccc1OC ZINC000737681102 600544708 /nfs/dbraw/zinc/54/47/08/600544708.db2.gz PRQYQOAPJOLLRP-UHFFFAOYSA-N -2 0 369.355 0.564 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)COc1ccc2ccc(=O)oc2c1 ZINC000739692430 674487869 /nfs/dbraw/zinc/48/78/69/674487869.db2.gz PLOYLRWSANXBHJ-UHFFFAOYSA-N -2 0 369.351 0.483 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)cn1 ZINC000392117782 600674511 /nfs/dbraw/zinc/67/45/11/600674511.db2.gz TYGXNHXZUVOHKX-UHFFFAOYSA-N -2 0 350.356 0.653 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccccc2Cn2cncn2)cn1 ZINC000739912181 600674802 /nfs/dbraw/zinc/67/48/02/600674802.db2.gz ZZSJNMHDMBCSPQ-UHFFFAOYSA-N -2 0 362.371 0.408 20 0 FCADRL NS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000316373220 600676497 /nfs/dbraw/zinc/67/64/97/600676497.db2.gz VMWBIPWMOSMGGF-UHFFFAOYSA-N -2 0 362.410 0.895 20 0 FCADRL CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000831015903 600941008 /nfs/dbraw/zinc/94/10/08/600941008.db2.gz MVYDOTQXGOJYKS-UHFFFAOYSA-N -2 0 368.392 0.925 20 0 FCADRL CCOc1c(F)cccc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000830027282 600942824 /nfs/dbraw/zinc/94/28/24/600942824.db2.gz VZOYVPPPDWRPED-UHFFFAOYSA-N -2 0 374.390 0.996 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cc1 ZINC000321879834 600982522 /nfs/dbraw/zinc/98/25/22/600982522.db2.gz PYXJOZKBCNMUNJ-UHFFFAOYSA-N -2 0 356.381 0.984 20 0 FCADRL O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000833178426 601088839 /nfs/dbraw/zinc/08/88/39/601088839.db2.gz WGBZCCXLIWPYIU-TZMCWYRMSA-N -2 0 373.413 0.953 20 0 FCADRL O=C([O-])c1cn(CC(=O)[N-]S(=O)(=O)N2CCOCC2)c2ccccc12 ZINC000833120483 601143205 /nfs/dbraw/zinc/14/32/05/601143205.db2.gz YQOISPNZLIGBEC-UHFFFAOYSA-N -2 0 367.383 0.033 20 0 FCADRL Cn1ncc2cc(C(=O)[N-]S(=O)(=O)Cc3ccc(C(=O)[O-])cc3)cnc21 ZINC000833060923 601302997 /nfs/dbraw/zinc/30/29/97/601302997.db2.gz JLVVABWCAOIJFA-UHFFFAOYSA-N -2 0 374.378 0.926 20 0 FCADRL COC(=O)C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)C(=O)[O-] ZINC000831134507 601384344 /nfs/dbraw/zinc/38/43/44/601384344.db2.gz QIWJPXWAFKPEGI-SECBINFHSA-N -2 0 351.340 0.370 20 0 FCADRL CN1C(=O)COc2ccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])cc21 ZINC000830901028 601484933 /nfs/dbraw/zinc/48/49/33/601484933.db2.gz BKAVLEINEUTTGL-UHFFFAOYSA-N -2 0 369.380 0.997 20 0 FCADRL COC[C@](C)(NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)C(=O)[O-] ZINC000831623841 601695771 /nfs/dbraw/zinc/69/57/71/601695771.db2.gz VWBYDBDVQURGIN-HNNXBMFYSA-N -2 0 351.384 0.442 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1C(=O)[O-] ZINC000833053496 601785197 /nfs/dbraw/zinc/78/51/97/601785197.db2.gz WBYOYEOLPGXETG-UHFFFAOYSA-N -2 0 364.339 0.054 20 0 FCADRL CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c1 ZINC000830145332 602113242 /nfs/dbraw/zinc/11/32/42/602113242.db2.gz OJXZQZRNSSICMI-UHFFFAOYSA-N -2 0 373.412 0.562 20 0 FCADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 ZINC000833343650 602116582 /nfs/dbraw/zinc/11/65/82/602116582.db2.gz LAOPRYLBWHHLKK-UHFFFAOYSA-N -2 0 367.364 0.777 20 0 FCADRL NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC000833090221 602117937 /nfs/dbraw/zinc/11/79/37/602117937.db2.gz UPHOVZWTGBYNFO-UHFFFAOYSA-N -2 0 362.410 0.895 20 0 FCADRL COCCCn1c(=O)c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[n-]c1=S ZINC000739814706 602246564 /nfs/dbraw/zinc/24/65/64/602246564.db2.gz XJDNVNPCJFRGRH-SECBINFHSA-N -2 0 365.411 0.925 20 0 FCADRL Cn1ncnc1[N-]S(=O)(=O)c1ccc(Br)cc1C(=O)[O-] ZINC000833062055 602307770 /nfs/dbraw/zinc/30/77/70/602307770.db2.gz LRJJLSKUCXSGPH-UHFFFAOYSA-N -2 0 361.177 0.499 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)[O-])C(C)C)cc1OC ZINC000738062130 604373879 /nfs/dbraw/zinc/37/38/79/604373879.db2.gz KXZPCIMYCUYNOH-LBPRGKRZSA-N -2 0 360.388 0.801 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)c2ccnn2C2CCCC2)CC1 ZINC000833149070 604409469 /nfs/dbraw/zinc/40/94/69/604409469.db2.gz ZWJFMYIJVIGBJC-UHFFFAOYSA-N -2 0 370.431 0.769 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]C(=O)c2c(C)[nH]c(C(=O)[O-])c2C)nc1C ZINC000833682327 604740267 /nfs/dbraw/zinc/74/02/67/604740267.db2.gz QWARCBRKTBXMPX-UHFFFAOYSA-N -2 0 354.388 0.973 20 0 FCADRL CN(CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)C(=O)C1CC1 ZINC000833691380 604791099 /nfs/dbraw/zinc/79/10/99/604791099.db2.gz DDMVYPNCRUPHON-UHFFFAOYSA-N -2 0 374.802 0.712 20 0 FCADRL CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000828556065 604816780 /nfs/dbraw/zinc/81/67/80/604816780.db2.gz ACXJPDKIKYDTHB-ZDUSSCGKSA-N -2 0 368.411 0.589 20 0 FCADRL COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000833723447 604880007 /nfs/dbraw/zinc/88/00/07/604880007.db2.gz FFRVBWGVUZNNEA-UHFFFAOYSA-N -2 0 352.752 0.155 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833665583 604902001 /nfs/dbraw/zinc/90/20/01/604902001.db2.gz IKUILDBKLNBRFO-CQSZACIVSA-N -2 0 370.427 0.746 20 0 FCADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c(C(N)=O)cc1OC ZINC000833728899 605186616 /nfs/dbraw/zinc/18/66/16/605186616.db2.gz CYRHEJRPIGFBKT-UHFFFAOYSA-N -2 0 370.339 0.895 20 0 FCADRL CN(CC(=O)[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2)C(=O)[O-] ZINC000833692724 605502510 /nfs/dbraw/zinc/50/25/10/605502510.db2.gz VCVPVCZJULRFKX-UHFFFAOYSA-N -2 0 364.763 0.526 20 0 FCADRL COCc1nc(SCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)n[nH]1 ZINC000821696919 606787237 /nfs/dbraw/zinc/78/72/37/606787237.db2.gz ULCBLNNVQSWNNL-UHFFFAOYSA-N -2 0 360.363 0.172 20 0 FCADRL Cn1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1C(=O)[O-] ZINC000912979712 666488283 /nfs/dbraw/zinc/48/82/83/666488283.db2.gz NQOJUTSBMUXLQO-LBPRGKRZSA-N -2 0 352.368 0.698 20 0 FCADRL CC(C)NC(=O)N[N-]S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000062930804 666602771 /nfs/dbraw/zinc/60/27/71/666602771.db2.gz MFXIEVIMXLHUPT-UHFFFAOYSA-N -2 0 359.360 0.057 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1ccc2oc(=O)ccc2c1)C(=O)[O-] ZINC000324243442 666763190 /nfs/dbraw/zinc/76/31/90/666763190.db2.gz YJMPLNYQBRERFF-JTQLQIEISA-N -2 0 355.324 0.389 20 0 FCADRL CS(=O)(=O)[N-]c1nnc(NC(=O)c2n[n-]c3ccccc3c2=O)s1 ZINC000732273979 666864036 /nfs/dbraw/zinc/86/40/36/666864036.db2.gz HZTRGTVNZOYKNP-UHFFFAOYSA-N -2 0 366.384 0.811 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)C(=O)[O-] ZINC000916106279 666990454 /nfs/dbraw/zinc/99/04/54/666990454.db2.gz JKGPPRVDMXKFHX-MRVPVSSYSA-N -3 0 365.747 0.635 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)cc(C(=O)[O-])c1Cl ZINC000759090094 667793222 /nfs/dbraw/zinc/79/32/22/667793222.db2.gz MMOXLRRPTFMAPI-UHFFFAOYSA-N -2 0 372.790 0.829 20 0 FCADRL CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1 ZINC000763084574 667943082 /nfs/dbraw/zinc/94/30/82/667943082.db2.gz FDLXHGQSGIABAO-UHFFFAOYSA-N -2 0 373.387 0.846 20 0 FCADRL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c(C(N)=O)n1 ZINC000788129883 667974268 /nfs/dbraw/zinc/97/42/68/667974268.db2.gz ARLZUAAMOVEVRL-UHFFFAOYSA-N -2 0 370.362 0.948 20 0 FCADRL COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000776437551 668261985 /nfs/dbraw/zinc/26/19/85/668261985.db2.gz QKWMIUCOHXEYTF-OXFRDRNISA-N -2 0 371.367 0.469 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1cccc(-c2nnco2)c1)C(=O)[O-] ZINC000776634303 668280991 /nfs/dbraw/zinc/28/09/91/668280991.db2.gz JXAHIJRMKGKJSM-VIFPVBQESA-N -2 0 355.328 0.190 20 0 FCADRL COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000776635747 668281252 /nfs/dbraw/zinc/28/12/52/668281252.db2.gz SJEMKOFCSKFAKL-IBHLPDHGSA-N -2 0 371.367 0.327 20 0 FCADRL O=C([O-])Cc1ccc(C[C@H](NS(=O)(=O)C[C@H]2CCOC2)C(=O)[O-])cc1 ZINC000794916539 669001553 /nfs/dbraw/zinc/00/15/53/669001553.db2.gz PIFMBWQIHRBCSF-KBPBESRZSA-N -2 0 371.411 0.265 20 0 FCADRL Cc1c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)nnn1-c1ccc(F)c(Cl)c1 ZINC000820281718 669076477 /nfs/dbraw/zinc/07/64/77/669076477.db2.gz FFMOEXFUAVYHDZ-UHFFFAOYSA-N -2 0 353.701 0.755 20 0 FCADRL Cn1nc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1C(=O)[O-] ZINC000821089775 669155819 /nfs/dbraw/zinc/15/58/19/669155819.db2.gz NUJVUEDIXCNVRU-UHFFFAOYSA-N -2 0 368.346 0.943 20 0 FCADRL COc1ccc2c(c1)CCC(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])=C2 ZINC000837289859 670094853 /nfs/dbraw/zinc/09/48/53/670094853.db2.gz GFEGZNBDCWMNDD-UHFFFAOYSA-N -2 0 355.368 0.783 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c(Cl)n1 ZINC000844793517 670944768 /nfs/dbraw/zinc/94/47/68/670944768.db2.gz YRIINWMUGTZOQB-RKDXNWHRSA-N -2 0 362.791 0.839 20 0 FCADRL CCO[N-]C(=O)CNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000846496383 671117273 /nfs/dbraw/zinc/11/72/73/671117273.db2.gz JAMXXKFTHLWTOR-UHFFFAOYSA-N -2 0 350.400 0.259 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CC1CC1 ZINC000849232572 671323837 /nfs/dbraw/zinc/32/38/37/671323837.db2.gz PEMPAQUBGKKOKJ-DTWKUNHWSA-N -2 0 358.338 0.322 20 0 FCADRL CCc1cc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])[nH]n1 ZINC000851701451 671460777 /nfs/dbraw/zinc/46/07/77/671460777.db2.gz GRRGKPUZFUEDTO-PSASIEDQSA-N -2 0 362.308 0.708 20 0 FCADRL Cc1nnsc1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852958412 671534066 /nfs/dbraw/zinc/53/40/66/671534066.db2.gz KZHIBQNEYQIDLG-BQBZGAKWSA-N -2 0 366.321 0.583 20 0 FCADRL COCC1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CC1 ZINC000853062707 671536119 /nfs/dbraw/zinc/53/61/19/671536119.db2.gz SNJZCCMHTRPKHQ-UHFFFAOYSA-N -2 0 373.383 0.592 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])c1C ZINC000853062729 671536181 /nfs/dbraw/zinc/53/61/81/671536181.db2.gz SXGCZJWFMBQHDA-GFCCVEGCSA-N -2 0 357.384 0.866 20 0 FCADRL COC(=O)Nc1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1C ZINC000863406051 672121416 /nfs/dbraw/zinc/12/14/16/672121416.db2.gz RWJDYNZDHVZZAQ-LLVKDONJSA-N -2 0 374.371 0.770 20 0 FCADRL COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)c1 ZINC000863952339 672163625 /nfs/dbraw/zinc/16/36/25/672163625.db2.gz SMHZPCBWFPKVNR-UHFFFAOYSA-N -2 0 355.368 0.930 20 0 FCADRL CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000863952647 672163956 /nfs/dbraw/zinc/16/39/56/672163956.db2.gz BDCPRGRIVRKCCN-JTQLQIEISA-N -2 0 371.415 0.335 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C(=O)[O-])CC2(C)C)s1 ZINC000863953555 672164254 /nfs/dbraw/zinc/16/42/54/672164254.db2.gz RVLRSAXRLCFRTQ-CYBMUJFWSA-N -2 0 361.397 0.841 20 0 FCADRL COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)cc1 ZINC000863953873 672164544 /nfs/dbraw/zinc/16/45/44/672164544.db2.gz BWTPFPCOPFLTMX-GFCCVEGCSA-N -2 0 357.384 0.776 20 0 FCADRL CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)s1 ZINC000863953884 672164552 /nfs/dbraw/zinc/16/45/52/672164552.db2.gz CGVDXOIOJSMDNA-UHFFFAOYSA-N -2 0 372.424 0.610 20 0 FCADRL CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])CC2(C)C)s1 ZINC000863954036 672164913 /nfs/dbraw/zinc/16/49/13/672164913.db2.gz JJYFHNHRTVGSJH-AWEZNQCLSA-N -2 0 374.440 0.690 20 0 FCADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000863954174 672164914 /nfs/dbraw/zinc/16/49/14/672164914.db2.gz PTNPHHSOBXUBOV-UHFFFAOYSA-N -2 0 371.415 0.551 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)cc1 ZINC000863955792 672165649 /nfs/dbraw/zinc/16/56/49/672165649.db2.gz YIPSDFUDCJZZMH-UHFFFAOYSA-N -2 0 373.408 0.316 20 0 FCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)CCC(=O)OCc2ccccc2)CCC1 ZINC000863956728 672166224 /nfs/dbraw/zinc/16/62/24/672166224.db2.gz SJSPNOFUZUEBFQ-UHFFFAOYSA-N -2 0 369.395 0.821 20 0 FCADRL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000863957935 672166870 /nfs/dbraw/zinc/16/68/70/672166870.db2.gz JMRUKJXKWKKUKM-GFCCVEGCSA-N -2 0 370.427 0.940 20 0 FCADRL COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC000863958732 672167214 /nfs/dbraw/zinc/16/72/14/672167214.db2.gz JAKTXXJDPIHZLJ-NXEZZACHSA-N -2 0 357.384 0.950 20 0 FCADRL CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)cc1 ZINC000863960744 672168386 /nfs/dbraw/zinc/16/83/86/672168386.db2.gz BEEWUNIVOPOYDG-UHFFFAOYSA-N -2 0 366.395 0.413 20 0 FCADRL COCCOc1cccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)c1 ZINC000863961641 672168576 /nfs/dbraw/zinc/16/85/76/672168576.db2.gz OFGZOMLSHZIEHK-UHFFFAOYSA-N -2 0 357.384 0.772 20 0 FCADRL O=C([O-])[C@@H]1CCN(C(=O)c2cnc(I)c([O-])c2)C1 ZINC000901438478 675790113 /nfs/dbraw/zinc/79/01/13/675790113.db2.gz ILNVHJNARUMWHD-ZCFIWIBFSA-N -2 0 362.123 0.939 20 0 FCADRL CC(=O)N1CCC[C@@H](C(=O)N[N-]C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000053662173 1183208074 /nfs/dbraw/zinc/20/80/74/1183208074.db2.gz GQWMGWBJBIRPMB-CYBMUJFWSA-N -2 0 371.397 0.597 20 0 FCADRL COC(=O)c1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1OC ZINC001223288958 1225695977 /nfs/dbraw/zinc/69/59/77/1225695977.db2.gz UJDGUGNNXYMZQP-GXFFZTMASA-N -2 0 370.310 0.061 20 0 FCADRL COc1cc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(OC)c1OC ZINC001223630008 1225721598 /nfs/dbraw/zinc/72/15/98/1225721598.db2.gz JHXWRGQZTWMWLP-TVQRCGJNSA-N -2 0 372.326 0.292 20 0 FCADRL Cc1nc(-c2cccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2)no1 ZINC001223717906 1225729400 /nfs/dbraw/zinc/72/94/00/1225729400.db2.gz LFKCFNXWIZFDKI-YPMHNXCESA-N -2 0 364.310 0.625 20 0 FCADRL CC(=O)Nc1ccc(OCCOC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001224403564 1225778873 /nfs/dbraw/zinc/77/88/73/1225778873.db2.gz XGNQBISBIWXOCQ-OCCSQVGLSA-N -2 0 369.326 0.103 20 0 FCADRL CCOC(=O)c1ccccc1CCOC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001224851951 1225795701 /nfs/dbraw/zinc/79/57/01/1225795701.db2.gz AWJWZVGHJNUWCT-JSGCOSHPSA-N -2 0 368.338 0.485 20 0 FCADRL Cc1c(C)c2ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc2oc1=O ZINC001226475380 1225845138 /nfs/dbraw/zinc/84/51/38/1225845138.db2.gz KXTXJCJEBKOXRG-BXUZGUMPSA-N -2 0 364.306 0.852 20 0 FCADRL CC(=O)Nc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(C(C)=O)c1 ZINC001227193744 1225865665 /nfs/dbraw/zinc/86/56/65/1225865665.db2.gz ZCUOAPZLGKWSPQ-BXUZGUMPSA-N -2 0 367.310 0.289 20 0 FCADRL CCOC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(OC)c1 ZINC001228053092 1225894319 /nfs/dbraw/zinc/89/43/19/1225894319.db2.gz SPWMXRRLMBTQSL-RNCFNFMXSA-N -2 0 370.310 0.314 20 0 FCADRL COc1cc(C(C)=O)cc(OC)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228242278 1225904667 /nfs/dbraw/zinc/90/46/67/1225904667.db2.gz SGZSTADJKOOEJG-RNCFNFMXSA-N -2 0 370.310 0.348 20 0 FCADRL O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)c1c[n-]c2cccnc2c1=O ZINC001153857437 1222993008 /nfs/dbraw/zinc/99/30/08/1222993008.db2.gz NRGYPSOCPDKLSU-UHFFFAOYSA-N -2 0 370.346 0.608 20 0 FCADRL O=C(CNC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-])N1CCCC1 ZINC000045429988 1245296312 /nfs/dbraw/zinc/29/63/12/1245296312.db2.gz CXMIXDQWOUPBJQ-UHFFFAOYSA-N -2 0 372.385 0.144 20 0 FCADRL O=C([O-])C[C@@H](O)C(=O)Oc1cc(O)cc([O-])c1C(=O)c1cccc(O)c1 ZINC001234161178 1259557152 /nfs/dbraw/zinc/55/71/52/1259557152.db2.gz IXYODZJIHJYEPQ-GFCCVEGCSA-N -2 0 362.290 0.775 20 0 FCADRL COc1cc(F)c2c(c1)ncnc2OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234874343 1259564664 /nfs/dbraw/zinc/56/46/64/1259564664.db2.gz ZUNIYZLZZBLREP-JMCQJSRRSA-N -2 0 368.273 0.219 20 0 FCADRL C[C@@H]1CC(=O)N(C)c2ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc21 ZINC001234851065 1259564668 /nfs/dbraw/zinc/56/46/68/1259564668.db2.gz GTWLLQJRTFHDTR-SXKNGAHQSA-N -2 0 365.338 0.598 20 0 FCADRL COC(=O)CCc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1F ZINC001234898349 1259564936 /nfs/dbraw/zinc/56/49/36/1259564936.db2.gz FYWUDYVYZGUEIC-HZMBPMFUSA-N -2 0 372.301 0.373 20 0 FCADRL C[C@@H]1CC(=O)N(C)c2ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc21 ZINC001234851063 1259564976 /nfs/dbraw/zinc/56/49/76/1259564976.db2.gz GTWLLQJRTFHDTR-BGFNQPPGSA-N -2 0 365.338 0.598 20 0 FCADRL COC(=O)CCc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1F ZINC001234898355 1259565084 /nfs/dbraw/zinc/56/50/84/1259565084.db2.gz FYWUDYVYZGUEIC-IINYFYTJSA-N -2 0 372.301 0.373 20 0 FCADRL O=C([O-])COCCOCCOCCOCCn1cc(C2=CC=C[CH]2)nn1 ZINC001254088595 1259871872 /nfs/dbraw/zinc/87/18/72/1259871872.db2.gz DLSQOFNFCUZXSZ-UHFFFAOYSA-N -2 0 366.394 0.587 20 0 FCADRL C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)c1ncccc1O ZINC001580299308 1278107546 /nfs/dbraw/zinc/10/75/46/1278107546.db2.gz ZQYKJUSZTGQZOV-QMMMGPOBSA-N -2 0 358.337 0.732 20 0 FCADRL COC(=O)c1cc(Cl)cc(S(=O)(=O)NCc2nc(=O)o[n-]2)c1F ZINC001561627184 1269249840 /nfs/dbraw/zinc/24/98/40/1269249840.db2.gz BOBHFNIANNMBOF-UHFFFAOYSA-N -2 0 365.726 0.421 20 0 FCADRL CN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@H]1CCCCN(C)C1=O ZINC001579360227 1277236082 /nfs/dbraw/zinc/23/60/82/1277236082.db2.gz BHIMRCJXGFPOFK-LBPRGKRZSA-N -2 0 371.405 0.058 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC001603187698 1287325063 /nfs/dbraw/zinc/32/50/63/1287325063.db2.gz IZVLSFBRPOUMCG-SFYZADRCSA-N -2 0 355.372 0.448 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)OC(C)(C)C ZINC001603187534 1287325519 /nfs/dbraw/zinc/32/55/19/1287325519.db2.gz IIBCOCFKQVODOL-BDAKNGLRSA-N -2 0 351.421 0.910 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1 ZINC001603202246 1287329689 /nfs/dbraw/zinc/32/96/89/1287329689.db2.gz VOUJDPCYSSKKOD-PSASIEDQSA-N -2 0 364.420 0.599 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1 ZINC001603204314 1287329697 /nfs/dbraw/zinc/32/96/97/1287329697.db2.gz MRRPZZPKWTTYGS-ZETCQYMHSA-N -2 0 353.356 0.610 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1cncn1Cc1ccccc1 ZINC001603204609 1287330828 /nfs/dbraw/zinc/33/08/28/1287330828.db2.gz QIYMAJBMUYCKDW-NSHDSACASA-N -2 0 351.384 0.393 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001603669139 1287463331 /nfs/dbraw/zinc/46/33/31/1287463331.db2.gz SJKGFVPVGCNZRV-ZETCQYMHSA-N -2 0 362.308 0.990 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)N[C@@H](Cc2cncs2)C(=O)[O-])cc1=O ZINC001603854199 1287522731 /nfs/dbraw/zinc/52/27/31/1287522731.db2.gz XCJIEXRISSJNBF-LBPRGKRZSA-N -2 0 352.416 0.644 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)CC[C@H]1CCC(=O)[O-] ZINC001603939905 1287539967 /nfs/dbraw/zinc/53/99/67/1287539967.db2.gz XGDTXGTZZSVJRB-NXEZZACHSA-N -2 0 369.403 0.971 20 0 FCADRL O=C(c1ncccc1O)N1CCCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001582751810 1281979013 /nfs/dbraw/zinc/97/90/13/1281979013.db2.gz XLBIUWOQJMNWLI-UHFFFAOYSA-N -2 0 366.385 0.715 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC001586100097 1282274897 /nfs/dbraw/zinc/27/48/97/1282274897.db2.gz LBUMWCFGAHXATR-VIFPVBQESA-N -2 0 356.308 0.862 20 0 FCADRL C[C@@H](NC(=O)C(=O)N1CCC(CC(=O)[O-])CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001604255689 1287593579 /nfs/dbraw/zinc/59/35/79/1287593579.db2.gz JJIPMUJNSBACPQ-KGYLQXTDSA-N -2 0 368.430 0.951 20 0 FCADRL C[C@@H](C(=O)[N-]S(=O)(=O)CCC1CCCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001589002905 1282764036 /nfs/dbraw/zinc/76/40/36/1282764036.db2.gz HAGDWSQKOXPNIB-VIFPVBQESA-N -2 0 368.423 0.046 20 0 FCADRL C[C@H](CC(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)n1ccnc1 ZINC001589794792 1283010374 /nfs/dbraw/zinc/01/03/74/1283010374.db2.gz HLARWXGDQSHDBS-SECBINFHSA-N -2 0 369.345 0.506 20 0 FCADRL C[C@H]1C[C@@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCO1 ZINC001590184315 1283293569 /nfs/dbraw/zinc/29/35/69/1283293569.db2.gz GCXXXWDYFVMREB-IUCAKERBSA-N -2 0 359.346 0.473 20 0 FCADRL CC[C@H]1C(=O)N(CC)CCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001590500484 1283570830 /nfs/dbraw/zinc/57/08/30/1283570830.db2.gz RPBXXZYETIUTFX-LBPRGKRZSA-N -2 0 371.405 0.058 20 0 FCADRL CC[C@@H]1C[C@@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCO1 ZINC001590503827 1283573727 /nfs/dbraw/zinc/57/37/27/1283573727.db2.gz SCLWYLHPPAYWOZ-GXSJLCMTSA-N -2 0 373.373 0.863 20 0 FCADRL CC1(C)CN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)[C@@H](C(=O)[O-])CO1 ZINC001604546412 1287655752 /nfs/dbraw/zinc/65/57/52/1287655752.db2.gz SWDGKYUSUQCBOP-GFCCVEGCSA-N -2 0 357.384 0.779 20 0 FCADRL C[C@@]1(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCCC[C@H]1C(=O)[O-] ZINC001604592221 1287674834 /nfs/dbraw/zinc/67/48/34/1287674834.db2.gz QUFSQKUHFLJVOB-XHDPSFHLSA-N -2 0 356.400 0.803 20 0 FCADRL CN(Cc1ncc(Cl)n1C)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001591130797 1284203526 /nfs/dbraw/zinc/20/35/26/1284203526.db2.gz SYEJSYHDYHQOMX-UHFFFAOYSA-N -2 0 374.796 0.634 20 0 FCADRL CO[C@](C)(C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CC1 ZINC001591315678 1284463249 /nfs/dbraw/zinc/46/32/49/1284463249.db2.gz ZNZXMTYKQMMJRB-HNNXBMFYSA-N -2 0 359.346 0.473 20 0 FCADRL COC1CCC(C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CC1 ZINC001591348492 1284484318 /nfs/dbraw/zinc/48/43/18/1284484318.db2.gz UAAPGBKPPGWPRO-UHFFFAOYSA-N -2 0 373.373 0.863 20 0 FCADRL CO[C@@H]1CCCC[C@H]1C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001591355507 1284490606 /nfs/dbraw/zinc/49/06/06/1284490606.db2.gz ZROMBGXTXSLFMS-ZYHUDNBSSA-N -2 0 373.373 0.863 20 0 FCADRL CO[N-]C(=O)CNS(=O)(=O)c1c2ccccc2sc1-c1nnn[n-]1 ZINC001591466646 1284638286 /nfs/dbraw/zinc/63/82/86/1284638286.db2.gz WFQSHZSHTLAXSQ-UHFFFAOYSA-N -2 0 368.400 0.037 20 0 FCADRL Cc1cccc(CN(C)Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)n1 ZINC001592229836 1285187734 /nfs/dbraw/zinc/18/77/34/1285187734.db2.gz DNBKVUHAIUSBCS-UHFFFAOYSA-N -2 0 351.374 0.950 20 0 FCADRL CCc1ocnc1C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001609256554 1289022908 /nfs/dbraw/zinc/02/29/08/1289022908.db2.gz RVLHTXGQQMYCPD-UHFFFAOYSA-N -2 0 356.302 0.522 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H]2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)o3)[C@@H]2C1 ZINC001593274613 1286058311 /nfs/dbraw/zinc/05/83/11/1286058311.db2.gz PAADVEOANRNCGU-IVZWLZJFSA-N -2 0 367.387 0.724 20 0 FCADRL O=C([O-])[C@@H](CNS(=O)(=O)c1ccsc1-c1nnn[n-]1)CC1CC1 ZINC001593276969 1286060888 /nfs/dbraw/zinc/06/08/88/1286060888.db2.gz WBFNPAAZHDNZBX-MRVPVSSYSA-N -2 0 357.417 0.707 20 0 FCADRL O=C(OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@@H]1C[C@]12CCOC2 ZINC001593295066 1286067071 /nfs/dbraw/zinc/06/70/71/1286067071.db2.gz BRZIVJDOIRWRRW-BONVTDFDSA-N -2 0 357.330 0.085 20 0 FCADRL O=S(=O)([N-]c1ccc(-n2cncn2)cc1)c1ccc(-c2nnn[n-]2)o1 ZINC001593445411 1286158989 /nfs/dbraw/zinc/15/89/89/1286158989.db2.gz MOIGNXWALDBARZ-UHFFFAOYSA-N -2 0 358.343 0.841 20 0 FCADRL O=c1cc(CN[C@H](CO)c2ccc(F)cc2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001593521143 1286192347 /nfs/dbraw/zinc/19/23/47/1286192347.db2.gz PRMYDAXOFVZCGQ-CYBMUJFWSA-N -2 0 370.348 0.577 20 0 FCADRL C[C@@H]1CN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)C[C@@H](C(=O)[O-])O1 ZINC001599863330 1286417036 /nfs/dbraw/zinc/41/70/36/1286417036.db2.gz DDRHALOUOQITQT-PELKAZGASA-N -2 0 363.395 0.536 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC001599996744 1286420040 /nfs/dbraw/zinc/42/00/40/1286420040.db2.gz GRESHZCTZLEMDH-MNOVXSKESA-N -3 0 371.367 0.489 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001599999526 1286421105 /nfs/dbraw/zinc/42/11/05/1286421105.db2.gz DSSPNHNUYILSAS-LLVKDONJSA-N -2 0 353.356 0.391 20 0 FCADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001600020827 1286425437 /nfs/dbraw/zinc/42/54/37/1286425437.db2.gz UAIFWCLIQGEUQQ-LLVKDONJSA-N -2 0 371.346 0.530 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])ccc1-n1cnnn1 ZINC001600096653 1286440751 /nfs/dbraw/zinc/44/07/51/1286440751.db2.gz WRXJIDIHVLQRTR-UHFFFAOYSA-N -2 0 367.387 0.141 20 0 FCADRL Cc1cc(C)c(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c(=O)[nH]1 ZINC001600152734 1286448234 /nfs/dbraw/zinc/44/82/34/1286448234.db2.gz QZBDHYAIBXFCNP-UHFFFAOYSA-N -2 0 357.388 0.175 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC[C@@H](C)C[C@@H]3C(=O)[O-])cc2=O)n1 ZINC001600181745 1286451377 /nfs/dbraw/zinc/45/13/77/1286451377.db2.gz NVYILSMEJPMECO-NOZJJQNGSA-N -2 0 359.386 0.898 20 0 FCADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCCn2cc(C(=O)[O-])nn2)n1 ZINC001600231646 1286457059 /nfs/dbraw/zinc/45/70/59/1286457059.db2.gz BQZLLTFJMKFGEH-UHFFFAOYSA-N -2 0 374.332 0.745 20 0 FCADRL Cc1cc(S(=O)(=O)N2C[C@H](C)O[C@H](C)[C@@H]2C(=O)[O-])ccc1C(=O)[O-] ZINC001600292991 1286469498 /nfs/dbraw/zinc/46/94/98/1286469498.db2.gz BHADYKCTLGJCHK-OPQQBVKSSA-N -2 0 357.384 0.944 20 0 FCADRL Cc1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])s1 ZINC001600336714 1286478517 /nfs/dbraw/zinc/47/85/17/1286478517.db2.gz PNWIZIZVHGTDAD-IUCAKERBSA-N -2 0 362.429 0.342 20 0 FCADRL Cc1ccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])CC2=O)cc1F ZINC001600436180 1286485729 /nfs/dbraw/zinc/48/57/29/1286485729.db2.gz USRYVEFVAMEQSI-UWVGGRQHSA-N -2 0 372.374 0.406 20 0 FCADRL Cc1ccc(N2C[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])CC2=O)cc1F ZINC001600436178 1286485927 /nfs/dbraw/zinc/48/59/27/1286485927.db2.gz USRYVEFVAMEQSI-NXEZZACHSA-N -2 0 372.374 0.406 20 0 FCADRL Cc1ccc(N2C[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])CC2=O)cc1 ZINC001600435488 1286485964 /nfs/dbraw/zinc/48/59/64/1286485964.db2.gz QFSMPMRWVKIAOK-GHMZBOCLSA-N -2 0 354.384 0.267 20 0 FCADRL Cc1ccc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600439721 1286487815 /nfs/dbraw/zinc/48/78/15/1286487815.db2.gz JBBNOFCLEDGKQN-BMLIUANNSA-N -2 0 362.338 0.191 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600476442 1286492421 /nfs/dbraw/zinc/49/24/21/1286492421.db2.gz MIWQGTVLJVALJN-GXFFZTMASA-N -2 0 357.384 0.539 20 0 FCADRL Cc1cccc(N(CC(=O)[O-])C(=O)c2ccc([N-]S(C)(=O)=O)nc2)n1 ZINC001600537759 1286503317 /nfs/dbraw/zinc/50/33/17/1286503317.db2.gz JONNMZJLXBHWGO-UHFFFAOYSA-N -2 0 364.383 0.888 20 0 FCADRL Cc1cccc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c1C(=O)[O-] ZINC001600550789 1286506847 /nfs/dbraw/zinc/50/68/47/1286506847.db2.gz YJBLKHOVZXODSI-SNVBAGLBSA-N -2 0 353.356 0.391 20 0 FCADRL Cc1cnn(C[C@H](NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)C(=O)[O-])c1 ZINC001600637024 1286518242 /nfs/dbraw/zinc/51/82/42/1286518242.db2.gz UDWVCCIQADCFOR-ZDUSSCGKSA-N -2 0 367.383 0.250 20 0 FCADRL Cc1cnn(C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)C(=O)[O-])c1 ZINC001600636616 1286518561 /nfs/dbraw/zinc/51/85/61/1286518561.db2.gz IADRHDYNCMRKST-NSHDSACASA-N -2 0 371.346 0.461 20 0 FCADRL Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncc(C(=O)[O-])cn2)c1[O-] ZINC001600666850 1286521411 /nfs/dbraw/zinc/52/14/11/1286521411.db2.gz FWTXVQWHBQBTNO-MXWKQRLJSA-N -2 0 358.358 0.452 20 0 FCADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC001600670932 1286522319 /nfs/dbraw/zinc/52/23/19/1286522319.db2.gz CHHCDIDSHIPYGV-UHFFFAOYSA-N -2 0 366.399 0.571 20 0 FCADRL Cc1nc(CN([C@H](C)C(=O)[O-])S(=O)(=O)N(C)CCC(=O)[O-])cs1 ZINC001600700104 1286529497 /nfs/dbraw/zinc/52/94/97/1286529497.db2.gz GSLZCLJAVLLIAB-MRVPVSSYSA-N -2 0 365.433 0.378 20 0 FCADRL Cc1nn(C)c(C)c1CC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001600770159 1286540944 /nfs/dbraw/zinc/54/09/44/1286540944.db2.gz MKDZYLNLHVYITP-UHFFFAOYSA-N -2 0 365.411 0.924 20 0 FCADRL Cc1nn(C)c2nc(C3CC3)cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c12 ZINC001600777063 1286541755 /nfs/dbraw/zinc/54/17/55/1286541755.db2.gz ZIIPSBRPYQISBU-QMMMGPOBSA-N -2 0 366.399 0.687 20 0 FCADRL Cc1nc(-c2ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])cc2)n[nH]1 ZINC001600790882 1286545591 /nfs/dbraw/zinc/54/55/91/1286545591.db2.gz WRFZYYHAYCELHN-RKDXNWHRSA-N -2 0 366.399 0.949 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)c1cn2c(n1)COCC2 ZINC001600836557 1286553419 /nfs/dbraw/zinc/55/34/19/1286553419.db2.gz PBIACHRBEORIRB-UHFFFAOYSA-N -2 0 355.328 0.132 20 0 FCADRL Cc1oc(CNC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1C(=O)[O-] ZINC001600846534 1286557157 /nfs/dbraw/zinc/55/71/57/1286557157.db2.gz QOESKGQTUONOBW-JTQLQIEISA-N -2 0 352.343 0.616 20 0 FCADRL Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC001600858834 1286558655 /nfs/dbraw/zinc/55/86/55/1286558655.db2.gz GYDSPSNKMNCVMV-HTRCEHHLSA-N -2 0 371.371 0.004 20 0 FCADRL COC1(CC(=O)[N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)CCC1 ZINC001609312730 1289083341 /nfs/dbraw/zinc/08/33/41/1289083341.db2.gz ONHKWXXTPOCMAV-UHFFFAOYSA-N -2 0 365.415 0.939 20 0 FCADRL Cn1cc(-c2ccc([N-]S(=O)(=O)c3cncc(C(=O)[O-])c3)nn2)cn1 ZINC001600922826 1286569949 /nfs/dbraw/zinc/56/99/49/1286569949.db2.gz NMBHVKYRGZAOOM-UHFFFAOYSA-N -2 0 360.355 0.771 20 0 FCADRL Cn1cc(Br)c(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])n1 ZINC001600926427 1286570852 /nfs/dbraw/zinc/57/08/52/1286570852.db2.gz WNBQKGLLIRBHBK-UHFFFAOYSA-N -2 0 368.209 0.353 20 0 FCADRL Cn1cc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])c(C(F)F)n1 ZINC001600933207 1286572770 /nfs/dbraw/zinc/57/27/70/1286572770.db2.gz XPRYIYGSFAZWLZ-UHFFFAOYSA-N -2 0 366.327 0.631 20 0 FCADRL Cn1cc(C[C@@H](NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)C(=O)[O-])cn1 ZINC001600947694 1286577693 /nfs/dbraw/zinc/57/76/93/1286577693.db2.gz NKFIBPMTHCRUQX-CYBMUJFWSA-N -2 0 367.383 0.234 20 0 FCADRL Cn1cc(S(=O)(=O)N(CCC(=O)[O-])Cc2cccnc2)cc1C(=O)[O-] ZINC001600967320 1286584403 /nfs/dbraw/zinc/58/44/03/1286584403.db2.gz MDAUBIGINLFBFS-UHFFFAOYSA-N -2 0 367.383 0.784 20 0 FCADRL Cn1cc(S(=O)(=O)NC[C@@H](Cc2cccnc2)C(=O)[O-])cc1C(=O)[O-] ZINC001600968799 1286585441 /nfs/dbraw/zinc/58/54/41/1286585441.db2.gz BSEXPTSWRAWBSW-LLVKDONJSA-N -2 0 367.383 0.340 20 0 FCADRL Cn1ccc(CCC(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)n1 ZINC001600975548 1286586975 /nfs/dbraw/zinc/58/69/75/1286586975.db2.gz KNJSHMZMTUSACD-UHFFFAOYSA-N -2 0 351.384 0.697 20 0 FCADRL Cn1nc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1Br ZINC001600998503 1286593517 /nfs/dbraw/zinc/59/35/17/1286593517.db2.gz CWOOGTYILABNOC-UHFFFAOYSA-N -2 0 354.182 0.107 20 0 FCADRL NC(=O)CCOc1ccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC001601150160 1286657452 /nfs/dbraw/zinc/65/74/52/1286657452.db2.gz GZXIRXLTCKJSSP-UHFFFAOYSA-N -2 0 365.367 0.835 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)/C=C\c1cncc(F)c1 ZINC001601244653 1286706328 /nfs/dbraw/zinc/70/63/28/1286706328.db2.gz SAIWNIGZMPSZHN-UPHRSURJSA-N -2 0 357.344 0.894 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)CCCNC(=O)C2CC2)c1 ZINC001601267791 1286710226 /nfs/dbraw/zinc/71/02/26/1286710226.db2.gz ARRHKLJEQYLXMK-UHFFFAOYSA-N -2 0 368.411 0.637 20 0 FCADRL O=C([O-])[C@@H](NC(=O)CCc1nnn[n-]1)c1ccccc1OC(F)(F)F ZINC001601295830 1286714686 /nfs/dbraw/zinc/71/46/86/1286714686.db2.gz DNPYMTUTMRYIAA-NSHDSACASA-N -2 0 359.264 0.973 20 0 FCADRL O=C([O-])[C@@H](NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)c1ccccc1F ZINC001601398865 1286740619 /nfs/dbraw/zinc/74/06/19/1286740619.db2.gz CXJLVDIWEACIAL-ZDUSSCGKSA-N -2 0 372.312 0.961 20 0 FCADRL O=C([O-])[C@H](CO)NC(=O)c1cccc(I)c1[O-] ZINC001601418934 1286742808 /nfs/dbraw/zinc/74/28/08/1286742808.db2.gz BSVQBLULZCNZSQ-ZETCQYMHSA-N -2 0 351.096 0.172 20 0 FCADRL O=C([O-])[C@H](CNC(=O)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)C1CCC1 ZINC001601450500 1286754465 /nfs/dbraw/zinc/75/44/65/1286754465.db2.gz LQNVKWUGRHXPQJ-CABCVRRESA-N -2 0 374.393 0.814 20 0 FCADRL O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)c1ncc(Br)cc1[O-] ZINC001601565183 1286784326 /nfs/dbraw/zinc/78/43/26/1286784326.db2.gz RFVIKAUWVWXARB-QMMMGPOBSA-N -2 0 355.148 0.699 20 0 FCADRL O=C([O-])c1cc(F)c(F)cc1NC(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001601591451 1286788951 /nfs/dbraw/zinc/78/89/51/1286788951.db2.gz JPXZIBDINDJKDA-UHFFFAOYSA-N -2 0 356.281 0.925 20 0 FCADRL O=C([O-])c1cc(F)cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1F ZINC001601592211 1286789127 /nfs/dbraw/zinc/78/91/27/1286789127.db2.gz GTOYDKNKYZAFNS-POYBYMJQSA-N -2 0 356.281 0.971 20 0 FCADRL O=C([O-])c1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c(OC(F)F)c1 ZINC001601597675 1286791334 /nfs/dbraw/zinc/79/13/34/1286791334.db2.gz NDFYUCAZYARLGL-MRVPVSSYSA-N -2 0 372.280 0.858 20 0 FCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2nc(Br)cs2)CC1 ZINC001601703619 1286810695 /nfs/dbraw/zinc/81/06/95/1286810695.db2.gz AAFCEAMNEZFSIV-UHFFFAOYSA-N -2 0 355.191 0.575 20 0 FCADRL O=C([O-])C1(CS(=O)(=O)[N-][C@@H](CO)c2nc(-c3ccccc3)no2)CC1 ZINC001601711963 1286811597 /nfs/dbraw/zinc/81/15/97/1286811597.db2.gz CXFKYCFLPRYUKA-NSHDSACASA-N -2 0 367.383 0.554 20 0 FCADRL O=C([O-])C1(CS(=O)(=O)[N-][C@H](CO)c2nc(-c3ccccc3)no2)CC1 ZINC001601711962 1286812508 /nfs/dbraw/zinc/81/25/08/1286812508.db2.gz CXFKYCFLPRYUKA-LLVKDONJSA-N -2 0 367.383 0.554 20 0 FCADRL O=C([O-])C[C@H](O)CNC(=O)c1cccc(I)c1[O-] ZINC001601911665 1286869502 /nfs/dbraw/zinc/86/95/02/1286869502.db2.gz WPOWTIKZFXSUNH-LURJTMIESA-N -2 0 365.123 0.562 20 0 FCADRL O=C([O-])CC1(C[N@@H+]2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])CC1 ZINC001601915464 1286870692 /nfs/dbraw/zinc/87/06/92/1286870692.db2.gz NHSLAJHOYKRFDG-PSASIEDQSA-N -2 0 352.309 0.837 20 0 FCADRL O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)C1 ZINC001601949531 1286881618 /nfs/dbraw/zinc/88/16/18/1286881618.db2.gz IAOCJOPNPRXMBL-NWDGAFQWSA-N -2 0 352.387 0.413 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cnn(-c2ccc(Cl)cc2)n1 ZINC001601999357 1286893261 /nfs/dbraw/zinc/89/32/61/1286893261.db2.gz WMIIJLYXNCUMFH-UHFFFAOYSA-N -2 0 372.790 0.845 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cccc(-n2cc[nH]c2=O)c1 ZINC001601999364 1286893273 /nfs/dbraw/zinc/89/32/73/1286893273.db2.gz XISBHJZFAHKWJT-UHFFFAOYSA-N -2 0 353.356 0.502 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC001601999003 1286893395 /nfs/dbraw/zinc/89/33/95/1286893395.db2.gz OUTISCXOYQCZMH-ZDUSSCGKSA-N -2 0 368.411 0.460 20 0 FCADRL O=C([O-])CCNC(=O)CCNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001602019280 1286902467 /nfs/dbraw/zinc/90/24/67/1286902467.db2.gz IGVFIOXCXWPNKF-UHFFFAOYSA-N -2 0 364.333 0.428 20 0 FCADRL O=C([O-])CCNC(=O)c1ccc(NC(=O)C(=O)[N-]OCC2CCC2)cc1 ZINC001602023764 1286906136 /nfs/dbraw/zinc/90/61/36/1286906136.db2.gz TXFKCBUEALYHFF-UHFFFAOYSA-N -2 0 363.370 0.678 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001602028784 1286908960 /nfs/dbraw/zinc/90/89/60/1286908960.db2.gz ZVDWDEXUAGGLCE-HNNXBMFYSA-N -2 0 371.411 0.844 20 0 FCADRL O=C([O-])CCc1cccc(NC(=O)C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1 ZINC001602042316 1286911623 /nfs/dbraw/zinc/91/16/23/1286911623.db2.gz OGXJQYXUDIVDLK-MRXNPFEDSA-N -2 0 352.318 0.668 20 0 FCADRL O=C([O-])Cc1ccc(CNC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)cc1 ZINC001602120196 1286940844 /nfs/dbraw/zinc/94/08/44/1286940844.db2.gz XXNMBIJTSQCASZ-UHFFFAOYSA-N -2 0 368.349 0.823 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)s1 ZINC001602131754 1286944652 /nfs/dbraw/zinc/94/46/52/1286944652.db2.gz LFLIZAREZPQWDN-HTQZYQBOSA-N -2 0 369.367 0.962 20 0 FCADRL O=C([O-])Cc1cccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)c1 ZINC001602142051 1286946901 /nfs/dbraw/zinc/94/69/01/1286946901.db2.gz JIPSYETXTHJABG-GHMZBOCLSA-N -2 0 363.338 0.900 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cn1 ZINC001602163306 1286952794 /nfs/dbraw/zinc/95/27/94/1286952794.db2.gz HMDLGRDXAZMJLT-GFCCVEGCSA-N -2 0 357.319 0.211 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2cccc3c2OCCCO3)n1 ZINC001602166497 1286954709 /nfs/dbraw/zinc/95/47/09/1286954709.db2.gz RWVOEHCVODABOV-UHFFFAOYSA-N -2 0 354.344 0.325 20 0 FCADRL O=C([O-])c1cc(F)cc(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)c1 ZINC001602272068 1286977487 /nfs/dbraw/zinc/97/74/87/1286977487.db2.gz JIRWANLLIMWYHR-UFBFGSQYSA-N -2 0 361.347 0.370 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)c(Br)o1 ZINC001602288460 1286981331 /nfs/dbraw/zinc/98/13/31/1286981331.db2.gz ARTTXMYNWGHCIC-YFKPBYRVSA-N -2 0 368.161 0.836 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)cc1F ZINC001602394075 1286993856 /nfs/dbraw/zinc/99/38/56/1286993856.db2.gz LKUMVAIIEQEYRV-PELKAZGASA-N -2 0 361.347 0.370 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)o1 ZINC001602401519 1286997268 /nfs/dbraw/zinc/99/72/68/1286997268.db2.gz XFNHGUMZVFXFPO-RNCFNFMXSA-N -2 0 354.340 0.887 20 0 FCADRL O=C([O-])c1ccsc1N1CC[C@@H](NC(=O)[C@@H](C(=O)[O-])C2CC2)C1=O ZINC001602489995 1287011209 /nfs/dbraw/zinc/01/12/09/1287011209.db2.gz HEXBQFGTNJSZOM-ZJUUUORDSA-N -2 0 352.368 0.779 20 0 FCADRL O=C([O-])c1cn([C@@H]2CCCN(C(=O)NCC3(C(=O)[O-])CCC3)C2)nn1 ZINC001602493969 1287011774 /nfs/dbraw/zinc/01/17/74/1287011774.db2.gz PAIVXZRXXAUXJU-SNVBAGLBSA-N -2 0 351.363 0.578 20 0 FCADRL O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001602507629 1287019463 /nfs/dbraw/zinc/01/94/63/1287019463.db2.gz FTIOTBJCNWFYST-SNVBAGLBSA-N -2 0 357.319 0.221 20 0 FCADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2cnn(C[C@H]3CCCO3)c2)c1 ZINC001602543886 1287024467 /nfs/dbraw/zinc/02/44/67/1287024467.db2.gz YHVMWOXLUSZYJG-GFCCVEGCSA-N -2 0 352.372 0.956 20 0 FCADRL O=C([O-])c1csc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@]3(CCOC3)C2)c1 ZINC001602563748 1287027156 /nfs/dbraw/zinc/02/71/56/1287027156.db2.gz JCEJABVCEXYNOW-TVQRCGJNSA-N -2 0 361.397 0.558 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001602583911 1287031471 /nfs/dbraw/zinc/03/14/71/1287031471.db2.gz VJNSOVOCYDIDNY-SSDOTTSWSA-N -3 0 362.385 0.537 20 0 FCADRL O=C([O-])[C@@]1(N2CCN(C(=O)c3cc(F)cc(F)c3[O-])CC2)CCOC1 ZINC001602622914 1287037467 /nfs/dbraw/zinc/03/74/67/1287037467.db2.gz QGTPYIOHUPNPAF-MRXNPFEDSA-N -2 0 356.325 0.672 20 0 FCADRL CC(=O)N(CCC(=O)[N-]S(=O)(=O)CCC(=O)[O-])Cc1ccccc1 ZINC001603009372 1287180884 /nfs/dbraw/zinc/18/08/84/1287180884.db2.gz RMKRAYUIGZEXNQ-UHFFFAOYSA-N -2 0 356.400 0.346 20 0 FCADRL CC(=O)NC[C@H](CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])CC(C)C ZINC001603049424 1287196651 /nfs/dbraw/zinc/19/66/51/1287196651.db2.gz BXYMKDDLCORUDS-LBPRGKRZSA-N -2 0 364.464 0.732 20 0 FCADRL CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-] ZINC001604884300 1287806578 /nfs/dbraw/zinc/80/65/78/1287806578.db2.gz NPRDALPHSJYCLA-ZCFIWIBFSA-N -2 0 365.385 0.717 20 0 FCADRL CO[C@@H](C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)[O-])C1CC1 ZINC001605008416 1287835121 /nfs/dbraw/zinc/83/51/21/1287835121.db2.gz SULICYNHIYCVEN-WPRPVWTQSA-N -2 0 371.375 0.006 20 0 FCADRL CCN(CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])C(=O)OC(C)(C)C ZINC001605413480 1287952034 /nfs/dbraw/zinc/95/20/34/1287952034.db2.gz SQEKTARHQRNNMO-UWVGGRQHSA-N -2 0 366.436 0.799 20 0 FCADRL CCOC[C@H](NS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-])C(=O)[O-] ZINC001605642563 1288043293 /nfs/dbraw/zinc/04/32/93/1288043293.db2.gz UDQNORLAWRRNDD-VIFPVBQESA-N -2 0 351.764 0.806 20 0 FCADRL CCc1ccccc1NC(=C(F)C(=O)[O-])c1c([O-])[nH]c(=S)[nH]c1=O ZINC001605834670 1288095939 /nfs/dbraw/zinc/09/59/39/1288095939.db2.gz HZJNWKPAYVBIGD-SNVBAGLBSA-N -2 0 351.359 0.869 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)[O-])c1ccn(C)n1 ZINC001606343302 1288265449 /nfs/dbraw/zinc/26/54/49/1288265449.db2.gz SZDXKJDHNKRIHP-VIFPVBQESA-N -2 0 373.412 0.681 20 0 FCADRL NC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001606416814 1288299350 /nfs/dbraw/zinc/29/93/50/1288299350.db2.gz HIJRLQQTJNYSRL-UHFFFAOYSA-N -2 0 364.343 0.125 20 0 FCADRL COC(=O)CCCO[N-]C(=O)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001606452983 1288325444 /nfs/dbraw/zinc/32/54/44/1288325444.db2.gz LUFYGOOALBTQAW-UHFFFAOYSA-N -2 0 360.269 0.603 20 0 FCADRL COC(=O)Cc1cccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])c1 ZINC001606480224 1288339745 /nfs/dbraw/zinc/33/97/45/1288339745.db2.gz VJGVLLCUNIILEN-VHSXEESVSA-N -2 0 357.384 0.571 20 0 FCADRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)[N-]c1cn(C)nn1 ZINC001606527993 1288364455 /nfs/dbraw/zinc/36/44/55/1288364455.db2.gz WZRFOQBBNPBAFT-UHFFFAOYSA-N -2 0 360.373 0.471 20 0 FCADRL COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001606644072 1288422122 /nfs/dbraw/zinc/42/21/22/1288422122.db2.gz CXDIHHSBRVXUAZ-UHFFFAOYSA-N -2 0 358.353 0.680 20 0 FCADRL CO[C@H](C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCCC1)C(=O)[O-])C1CC1 ZINC001606668614 1288431259 /nfs/dbraw/zinc/43/12/59/1288431259.db2.gz NKPNKSMVOCYELM-NWDGAFQWSA-N -2 0 363.432 0.819 20 0 FCADRL CO[C@@H](CNS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1)CC(=O)[O-] ZINC001606679358 1288436466 /nfs/dbraw/zinc/43/64/66/1288436466.db2.gz FIXRVKBZUGWUCA-LLVKDONJSA-N -2 0 357.384 0.571 20 0 FCADRL CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1n[nH]c(CC(=O)[O-])n1 ZINC001606686209 1288441084 /nfs/dbraw/zinc/44/10/84/1288441084.db2.gz NEFMOLVTEHTURV-LLVKDONJSA-N -2 0 372.378 0.570 20 0 FCADRL CO[C@]1(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CCSC1 ZINC001606690275 1288444322 /nfs/dbraw/zinc/44/43/22/1288444322.db2.gz DVXMKTPDHULDRD-LLVKDONJSA-N -2 0 351.427 0.773 20 0 FCADRL COC1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2C)CC1 ZINC001606705994 1288459252 /nfs/dbraw/zinc/45/92/52/1288459252.db2.gz IRMXOFXPMZNQFG-UHFFFAOYSA-N -2 0 357.384 0.948 20 0 FCADRL CO[C@H]1CN(S(=O)(=O)c2scnc2C(=O)[O-])[C@](C)(C(=O)[O-])C1 ZINC001606770679 1288503937 /nfs/dbraw/zinc/50/39/37/1288503937.db2.gz LSUVXEVNDVNSON-KBUNVGBDSA-N -2 0 350.374 0.094 20 0 FCADRL COCCOc1ncccc1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001606919571 1288563859 /nfs/dbraw/zinc/56/38/59/1288563859.db2.gz IZAVJWCMHHXVPX-UHFFFAOYSA-N -2 0 370.339 0.517 20 0 FCADRL COCc1ccc(CNC(=O)CS(=O)(=O)c2ncc(C(=O)[O-])[n-]2)cc1 ZINC001606959483 1288575249 /nfs/dbraw/zinc/57/52/49/1288575249.db2.gz JWLIRSHHDWDUQQ-UHFFFAOYSA-N -2 0 367.383 0.344 20 0 FCADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 ZINC001606961404 1288576466 /nfs/dbraw/zinc/57/64/66/1288576466.db2.gz QTFHQLOBAWDSIE-UHFFFAOYSA-N -2 0 371.350 0.456 20 0 FCADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC001606962302 1288577873 /nfs/dbraw/zinc/57/78/73/1288577873.db2.gz ONPJQOMMRWXDGL-UHFFFAOYSA-N -2 0 364.318 0.900 20 0 FCADRL COc1c(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c(C)nn1C ZINC001607010370 1288589320 /nfs/dbraw/zinc/58/93/20/1288589320.db2.gz VJEQIQSNIFADRC-UHFFFAOYSA-N -2 0 357.344 0.455 20 0 FCADRL COc1cc(NC(=O)CSc2n[nH]c(=O)[n-]2)c(C(=O)[O-])cc1OC ZINC001607175783 1288679332 /nfs/dbraw/zinc/67/93/32/1288679332.db2.gz BKMJMXNJOWAZBV-UHFFFAOYSA-N -2 0 354.344 0.957 20 0 FCADRL COc1ccc(S(=O)(=O)N2[C@H](C)SC[C@@H]2C(=O)[O-])cc1C(=O)[O-] ZINC001607284542 1288692861 /nfs/dbraw/zinc/69/28/61/1288692861.db2.gz HIMDISCPLHYZHE-OIBJUYFYSA-N -2 0 361.397 0.930 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cnn1-c1ccccc1F ZINC001607508272 1288721708 /nfs/dbraw/zinc/72/17/08/1288721708.db2.gz CDIYECVAEKAMON-SECBINFHSA-N -2 0 355.347 0.853 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c(C)n1[C@H]1CCCOC1 ZINC001607579823 1288727751 /nfs/dbraw/zinc/72/77/51/1288727751.db2.gz IYZJJJBFGBBJHJ-NEPJUHHUSA-N -2 0 358.416 0.989 20 0 FCADRL Cc1ncc(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)cc1C(=O)[O-] ZINC001607984248 1288754908 /nfs/dbraw/zinc/75/49/08/1288754908.db2.gz XMMZSIPFWZDIHX-UHFFFAOYSA-N -2 0 372.399 0.733 20 0 FCADRL Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccccc2)cc1C(=O)[O-] ZINC001608121782 1288774457 /nfs/dbraw/zinc/77/44/57/1288774457.db2.gz CJPLWVZKCUGJRX-OLZOCXBDSA-N -2 0 368.367 0.188 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]C(=O)C23CC(C(=O)[O-])(C2)C3)c(C(F)(F)F)n1 ZINC001608121778 1288774983 /nfs/dbraw/zinc/77/49/83/1288774983.db2.gz CBFHHSBIJHUVOT-UHFFFAOYSA-N -2 0 367.305 0.499 20 0 FCADRL Cn1nc(C(=O)[O-])cc1NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001608143724 1288780527 /nfs/dbraw/zinc/78/05/27/1288780527.db2.gz FXDQKZRBKVTISR-UHFFFAOYSA-N -2 0 373.300 0.558 20 0 FCADRL Cn1nnc2cc(S(=O)(=O)[N-]C(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)ccc21 ZINC001608168363 1288786343 /nfs/dbraw/zinc/78/63/43/1288786343.db2.gz PQEFKTXQRSQXET-NXEZZACHSA-N -2 0 366.399 0.664 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)COCc2ccncc2)c1 ZINC001608348262 1288827188 /nfs/dbraw/zinc/82/71/88/1288827188.db2.gz JGGYYMYOFNOXAX-UHFFFAOYSA-N -2 0 350.352 0.802 20 0 FCADRL O=C(CSc1ccncc1)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001608356942 1288829938 /nfs/dbraw/zinc/82/99/38/1288829938.db2.gz SJXZORNXVJYQHV-UHFFFAOYSA-N -2 0 359.429 0.331 20 0 FCADRL O=C([O-])CCCOc1ccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC001608716957 1288869294 /nfs/dbraw/zinc/86/92/94/1288869294.db2.gz OVKLPMZCUZULSW-AWEZNQCLSA-N -2 0 366.370 0.925 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c(F)c1 ZINC001608909558 1288878369 /nfs/dbraw/zinc/87/83/69/1288878369.db2.gz NSKAANUJXUDCHG-VIFPVBQESA-N -2 0 370.362 0.916 20 0 FCADRL O=C(CCc1cscn1)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001609525594 1289194964 /nfs/dbraw/zinc/19/49/64/1289194964.db2.gz UPCHESDMFASGGQ-UHFFFAOYSA-N -2 0 372.370 0.748 20 0 FCADRL CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])[nH]2)s1 ZINC001609622248 1289266119 /nfs/dbraw/zinc/26/61/19/1289266119.db2.gz JLXZFVMWBGBNAB-UHFFFAOYSA-N -2 0 371.396 0.529 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(-n2cccn2)n1 ZINC001609638585 1289269941 /nfs/dbraw/zinc/26/99/41/1289269941.db2.gz IERGFCGJCSPDGY-ZJUUUORDSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc2nccnc2cc1F ZINC001609638919 1289270751 /nfs/dbraw/zinc/27/07/51/1289270751.db2.gz OGDFVNNATUCLDY-JGVFFNPUSA-N -2 0 355.347 0.938 20 0 FCADRL C[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-] ZINC001609639500 1289270770 /nfs/dbraw/zinc/27/07/70/1289270770.db2.gz YRMPYKBLUWWCCM-DJLDLDEBSA-N -2 0 352.409 0.455 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC001609639024 1289270882 /nfs/dbraw/zinc/27/08/82/1289270882.db2.gz PPMMLXRMIRGGMT-GARJFASQSA-N -2 0 372.399 0.183 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)OC(C)(C)C ZINC001609642304 1289271701 /nfs/dbraw/zinc/27/17/01/1289271701.db2.gz LZCKAFNDTCYQCY-VIFPVBQESA-N -2 0 352.409 0.553 20 0 FCADRL CC(C)(C(=O)[O-])C1(O)CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC001609649339 1289273442 /nfs/dbraw/zinc/27/34/42/1289273442.db2.gz APDBSGMTPXFVEM-UHFFFAOYSA-N -2 0 363.432 0.509 20 0 FCADRL CC(C)(C)OC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)[O-] ZINC001609668814 1289278064 /nfs/dbraw/zinc/27/80/64/1289278064.db2.gz RBEJGTDCQQKISH-QMMMGPOBSA-N -2 0 351.402 0.993 20 0 FCADRL CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1)C(=O)[O-] ZINC001609715528 1289284864 /nfs/dbraw/zinc/28/48/64/1289284864.db2.gz APKLJHBNCBYQIE-CYBMUJFWSA-N -2 0 352.343 0.704 20 0 FCADRL C[C@H](CSCCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)[O-] ZINC001609749390 1289289375 /nfs/dbraw/zinc/28/93/75/1289289375.db2.gz IGHSQLLYQSRTOK-MRVPVSSYSA-N -2 0 350.418 0.456 20 0 FCADRL C[C@](CO)(CNS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)CC(=O)[O-] ZINC001609746986 1289289414 /nfs/dbraw/zinc/28/94/14/1289289414.db2.gz SNFUONXZSZESGC-CYBMUJFWSA-N -2 0 365.791 0.790 20 0 FCADRL C[C@@H](CS(=O)(=O)N[C@@H](CCC(=O)c1ccccc1)C(=O)[O-])C(=O)[O-] ZINC001609750938 1289290695 /nfs/dbraw/zinc/29/06/95/1289290695.db2.gz TZMFAWJAEMPEFX-JQWIXIFHSA-N -2 0 357.384 0.743 20 0 FCADRL C[C@H](NC(=O)C1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001609759134 1289292924 /nfs/dbraw/zinc/29/29/24/1289292924.db2.gz GNVKXVLTHRBEKW-QMMMGPOBSA-N -2 0 374.440 0.946 20 0 FCADRL C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC001609811934 1289302135 /nfs/dbraw/zinc/30/21/35/1289302135.db2.gz UHDDNLALSLMUCO-KRWDZBQOSA-N -2 0 364.354 0.802 20 0 FCADRL CC1(C)CN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)[C@@H](C(=O)[O-])CO1 ZINC001609819265 1289304172 /nfs/dbraw/zinc/30/41/72/1289304172.db2.gz UAUXIYWOXLZHIW-LLVKDONJSA-N -2 0 361.347 0.777 20 0 FCADRL C[C@H]1CCN(C(=O)C(=O)NCCc2cccc(C(=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC001609856212 1289313093 /nfs/dbraw/zinc/31/30/93/1289313093.db2.gz IAZMOLCLZOQSNA-SMDDNHRTSA-N -2 0 362.382 0.613 20 0 FCADRL C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)C[C@H]1C(=O)[O-] ZINC001609855518 1289313442 /nfs/dbraw/zinc/31/34/42/1289313442.db2.gz NDXBISYDRCDRSM-FRRDWIJNSA-N -2 0 368.430 0.905 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC001609873668 1289322251 /nfs/dbraw/zinc/32/22/51/1289322251.db2.gz OSAZHOXQSLGXLT-GPCCPHFNSA-N -2 0 357.384 0.565 20 0 FCADRL CC[C@](C)(OC)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001609897673 1289325699 /nfs/dbraw/zinc/32/56/99/1289325699.db2.gz SJVCHQMOVZGIDJ-HNNXBMFYSA-N -2 0 359.400 0.942 20 0 FCADRL CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001609896421 1289325707 /nfs/dbraw/zinc/32/57/07/1289325707.db2.gz ZXDIARXECIMBFF-LKFCYVNXSA-N -2 0 366.436 0.847 20 0 FCADRL CC[C@@H](NC(=O)c1cccc(C(=O)N[C@@H](CC)C(=O)[O-])c1[O-])C(=O)OC ZINC001609929333 1289329832 /nfs/dbraw/zinc/32/98/32/1289329832.db2.gz ZJSLLALTVFQECV-NWDGAFQWSA-N -2 0 366.370 0.667 20 0 FCADRL CC[C@H](C)[C@H](NC(=O)C(=O)Nc1cc(OC)ccc1C(=O)[O-])C(=O)[O-] ZINC001610051894 1289358511 /nfs/dbraw/zinc/35/85/11/1289358511.db2.gz OETRZZKKHODZEN-UFBFGSQYSA-N -2 0 352.343 0.947 20 0 FCADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])o1 ZINC001610073057 1289363109 /nfs/dbraw/zinc/36/31/09/1289363109.db2.gz PJLZLBUTIHVNPS-UHFFFAOYSA-N -2 0 355.372 0.955 20 0 FCADRL CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n1 ZINC001610093862 1289367692 /nfs/dbraw/zinc/36/76/92/1289367692.db2.gz IDIFBLSBQYVJCE-UHFFFAOYSA-N -2 0 368.371 0.176 20 0 FCADRL CN(C)c1n[nH]c([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)n1 ZINC001610107604 1289375178 /nfs/dbraw/zinc/37/51/78/1289375178.db2.gz VJHHCNJFDLBNFX-UHFFFAOYSA-N -2 0 355.376 0.525 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N[C@@H](CC(=O)c1cccs1)C(=O)[O-] ZINC001610114394 1289378853 /nfs/dbraw/zinc/37/88/53/1289378853.db2.gz NKGOMPCBGHBQRH-QMMMGPOBSA-N -2 0 364.401 0.015 20 0 FCADRL CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)nc1 ZINC001610147513 1289398755 /nfs/dbraw/zinc/39/87/55/1289398755.db2.gz WADLDOFYYIPLRK-UHFFFAOYSA-N -2 0 371.396 0.489 20 0 FCADRL COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cc1F ZINC001610150829 1289401232 /nfs/dbraw/zinc/40/12/32/1289401232.db2.gz PQMHBFWIPCPESV-YUMQZZPRSA-N -2 0 361.347 0.781 20 0 FCADRL COC(=O)CC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1)C(=O)[O-] ZINC001610182490 1289412957 /nfs/dbraw/zinc/41/29/57/1289412957.db2.gz IYHDCUAOACYLDU-NSHDSACASA-N -2 0 359.356 0.378 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2scc(C(=O)[O-])c2C)cn1 ZINC001610186735 1289416254 /nfs/dbraw/zinc/41/62/54/1289416254.db2.gz MNRAUIBMVBOCRU-UHFFFAOYSA-N -2 0 359.385 0.925 20 0 FCADRL COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)[N-]OCCCC(=O)[O-] ZINC001610199406 1289422913 /nfs/dbraw/zinc/42/29/13/1289422913.db2.gz DIRPXGJWINFBMV-UHFFFAOYSA-N -2 0 360.269 0.603 20 0 FCADRL CO[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)c1cnn(C)c1 ZINC001610221851 1289430611 /nfs/dbraw/zinc/43/06/11/1289430611.db2.gz NDSSWXVKGNVZBF-LLVKDONJSA-N -2 0 357.344 0.212 20 0 FCADRL CO[C@H](C)CS(=O)(=O)[N-]c1cc(F)ccc1C(=O)N[C@H](C)C(=O)[O-] ZINC001610225385 1289432029 /nfs/dbraw/zinc/43/20/29/1289432029.db2.gz QAUVEMQMELXBPU-RKDXNWHRSA-N -2 0 362.379 0.805 20 0 FCADRL COC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(=O)[O-] ZINC001610249444 1289437864 /nfs/dbraw/zinc/43/78/64/1289437864.db2.gz DCJJRUQGGSXZFP-BYPYZUCNSA-N -2 0 372.149 0.118 20 0 FCADRL COCCOc1ccc(CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])cc1 ZINC001610262827 1289443217 /nfs/dbraw/zinc/44/32/17/1289443217.db2.gz PJLBJGKXEXHEQA-RYUDHWBXSA-N -2 0 373.427 0.810 20 0 FCADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)NCCSCC(=O)[O-] ZINC001610289712 1289452201 /nfs/dbraw/zinc/45/22/01/1289452201.db2.gz FIQHSRKMWIEVLB-UHFFFAOYSA-N -2 0 355.415 0.551 20 0 FCADRL COc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])c(CC(=O)[O-])c1 ZINC001610345359 1289465552 /nfs/dbraw/zinc/46/55/52/1289465552.db2.gz WGVWYORNJNFMFI-LBPRGKRZSA-N -2 0 357.384 0.950 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H]2C(=O)[O-])c(CC(=O)[O-])c1 ZINC001610345278 1289465830 /nfs/dbraw/zinc/46/58/30/1289465830.db2.gz PWJWEIPYUOJQAT-YMTOWFKASA-N -2 0 357.384 0.806 20 0 FCADRL COc1nc(C(=O)O[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc(=O)[n-]1 ZINC001610370676 1289470895 /nfs/dbraw/zinc/47/08/95/1289470895.db2.gz VCLPZQCHQTVJEK-MRVPVSSYSA-N -2 0 353.331 0.059 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NCCSCC(=O)[O-] ZINC001610397475 1289479906 /nfs/dbraw/zinc/47/99/06/1289479906.db2.gz SATCOAVESCVPPW-UHFFFAOYSA-N -2 0 363.399 0.424 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])ccc1-n1cncn1 ZINC001610436970 1289487302 /nfs/dbraw/zinc/48/73/02/1289487302.db2.gz POWURDYPOLHEIH-UHFFFAOYSA-N -2 0 366.399 0.746 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cnn1-c1cc(C)ccc1C ZINC001610495938 1289495498 /nfs/dbraw/zinc/49/54/98/1289495498.db2.gz CCTGPADFKGXCCM-UHFFFAOYSA-N -2 0 351.384 0.942 20 0 FCADRL Cc1cccc(N2C[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])CC2=O)c1C ZINC001610524113 1289500527 /nfs/dbraw/zinc/50/05/27/1289500527.db2.gz ARKOEYAFRMFIKQ-NWDGAFQWSA-N -2 0 368.411 0.575 20 0 FCADRL Cc1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)[C@@H]2C(=O)[O-])c1C(=O)[O-] ZINC001610525484 1289501389 /nfs/dbraw/zinc/50/13/89/1289501389.db2.gz YWBRJPMOXYKGCF-OPQQBVKSSA-N -2 0 357.384 0.944 20 0 FCADRL Cc1cccc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)[O-])c1C(=O)[O-] ZINC001610526223 1289502088 /nfs/dbraw/zinc/50/20/88/1289502088.db2.gz YZAQMZLQJGSOLR-GHMZBOCLSA-N -2 0 357.384 0.851 20 0 FCADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1cccc(-n2cc(C(=O)[O-])nn2)c1 ZINC001610541463 1289503937 /nfs/dbraw/zinc/50/39/37/1289503937.db2.gz FHRIVKFSYBYXSN-UHFFFAOYSA-N -2 0 362.371 0.808 20 0 FCADRL Cc1cnn(C[C@H](NS(=O)(=O)c2cccc(F)c2C(=O)[O-])C(=O)[O-])c1 ZINC001610541208 1289504228 /nfs/dbraw/zinc/50/42/28/1289504228.db2.gz AIJKGHNCLBKEBW-JTQLQIEISA-N -2 0 371.346 0.461 20 0 FCADRL Cc1nc(COc2ccccc2C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])no1 ZINC001610556149 1289509894 /nfs/dbraw/zinc/50/98/94/1289509894.db2.gz YGUJBSABKYVTGI-MRVPVSSYSA-N -2 0 369.355 0.490 20 0 FCADRL Cc1nc2ccnn2c(C)c1CCC(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001610561940 1289510917 /nfs/dbraw/zinc/51/09/17/1289510917.db2.gz MFQCGWDAUMVVSX-UHFFFAOYSA-N -2 0 354.388 0.199 20 0 FCADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001610568191 1289512477 /nfs/dbraw/zinc/51/24/77/1289512477.db2.gz LHBQXSWXQXQUNH-UHFFFAOYSA-N -2 0 351.384 0.783 20 0 FCADRL Cc1oc(CN(C)C(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001610579780 1289516991 /nfs/dbraw/zinc/51/69/91/1289516991.db2.gz LYORMKOPMSIMQF-MWLCHTKSSA-N -2 0 366.370 0.814 20 0 FCADRL Cc1sc(=O)n(CCC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])c1C ZINC001610590171 1289519672 /nfs/dbraw/zinc/51/96/72/1289519672.db2.gz QVGNVDOTLBSLGX-GMSGAONNSA-N -2 0 364.445 0.472 20 0 FCADRL Cn1cc(NC(=O)C(=O)N(CCC(=O)[O-])C2CCOCC2)cc1C(=O)[O-] ZINC001610604052 1289523822 /nfs/dbraw/zinc/52/38/22/1289523822.db2.gz BWQOUPBROMFTHD-UHFFFAOYSA-N -2 0 367.358 0.144 20 0 FCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)CCC(=O)OCc2ccccc2)CC1 ZINC001610658626 1289543660 /nfs/dbraw/zinc/54/36/60/1289543660.db2.gz TXWZOMZRPXVMHP-UHFFFAOYSA-N -2 0 355.368 0.431 20 0 FCADRL O=C([O-])c1cnc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)cn1 ZINC001610683877 1289551987 /nfs/dbraw/zinc/55/19/87/1289551987.db2.gz ARGCLQIDHOTPRG-UHFFFAOYSA-N -2 0 362.367 0.868 20 0 FCADRL O=C([O-])[C@@H]1CN(C(=O)C(=O)[N-]O[C@H]2CCCCO2)c2ccccc2O1 ZINC001610699464 1289560869 /nfs/dbraw/zinc/56/08/69/1289560869.db2.gz BLJPUYWMLONLNK-STQMWFEESA-N -2 0 350.327 0.440 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2)C1CC1 ZINC001610754283 1289578804 /nfs/dbraw/zinc/57/88/04/1289578804.db2.gz OMKCEYIUFGUYCM-NSHDSACASA-N -2 0 371.367 0.688 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])CC1 ZINC001610755239 1289579986 /nfs/dbraw/zinc/57/99/86/1289579986.db2.gz GLLDVOPBHHZQHU-LBPRGKRZSA-N -2 0 359.375 0.996 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)Cc1ccccc1O[C@@H]1CCOC1 ZINC001610771574 1289586411 /nfs/dbraw/zinc/58/64/11/1289586411.db2.gz HMDHCUHFSFEXKA-CYBMUJFWSA-N -2 0 371.411 0.708 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)NC[C@H](CC2CCCC2)C(=O)[O-])cn1 ZINC001610801583 1289598536 /nfs/dbraw/zinc/59/85/36/1289598536.db2.gz YOXZDLGSZMTAFB-NSHDSACASA-N -2 0 359.404 0.527 20 0 FCADRL O=C([O-])c1cc(C(=O)[N-]S(=O)(=O)CCCF)n(-c2ccccc2)n1 ZINC001610810025 1289599421 /nfs/dbraw/zinc/59/94/21/1289599421.db2.gz JCTKXYNUHYKNBA-UHFFFAOYSA-N -2 0 355.347 0.990 20 0 FCADRL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@@H](CCO)C(=O)[O-] ZINC001610824763 1289600445 /nfs/dbraw/zinc/60/04/45/1289600445.db2.gz GKTHGJWIGCWYNE-QMMMGPOBSA-N -2 0 371.289 0.518 20 0 FCADRL O=C([O-])c1ccc(F)c(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)c1 ZINC001610832163 1289602007 /nfs/dbraw/zinc/60/20/07/1289602007.db2.gz TVBZSINXBFQZBT-BXKDBHETSA-N -2 0 361.347 0.370 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001610871635 1289614069 /nfs/dbraw/zinc/61/40/69/1289614069.db2.gz QTMPICYELSKZRL-SECBINFHSA-N -2 0 374.371 0.955 20 0 FCADRL CSCC[C@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c1nnn[n-]1 ZINC001646037472 1291055420 /nfs/dbraw/zinc/05/54/20/1291055420.db2.gz RYNRYBSNFGXBMK-YUMQZZPRSA-N -2 0 368.385 0.813 20 0 FCADRL COc1cc(C)[nH]c(=NNS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])n1 ZINC000751215084 836472154 /nfs/dbraw/zinc/47/21/54/836472154.db2.gz HWMAHRAWHZMCGM-UHFFFAOYSA-N -2 0 354.344 0.503 20 0 FCADRL CCc1c(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c(C(N)=O)nn1C ZINC001148916998 849620476 /nfs/dbraw/zinc/62/04/76/849620476.db2.gz IXMUPNJMGKRZJK-UHFFFAOYSA-N -2 0 368.371 0.286 20 0 FCADRL CCOC(=O)c1ncc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])cn1 ZINC001148916921 849620801 /nfs/dbraw/zinc/62/08/01/849620801.db2.gz HSFOFTBCNMJXSZ-UHFFFAOYSA-N -2 0 367.339 0.858 20 0 FCADRL O=C(CCCn1c(=O)[n-][nH]c1=O)Nc1nccc(Br)c1[O-] ZINC001150031724 849654673 /nfs/dbraw/zinc/65/46/73/849654673.db2.gz DRMJPMHNARYQJR-UHFFFAOYSA-N -2 0 358.152 0.971 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CCSC[C@H]2c2nnn[n-]2)c1 ZINC001154777885 849813783 /nfs/dbraw/zinc/81/37/83/849813783.db2.gz YJZGJIQYZUGGIA-MCFWBGNESA-N -2 0 367.456 0.633 20 0 FCADRL CON(C)C(=O)[C@H]1CCc2cc(NCCOP(=O)([O-])[O-])ccc2O1 ZINC001168595713 850590188 /nfs/dbraw/zinc/59/01/88/850590188.db2.gz LTRMMJOGEJSQJW-CYBMUJFWSA-N -2 0 360.303 0.921 20 0 FCADRL COC(=O)C1CCN(c2cc(NCCOP(=O)([O-])[O-])ncn2)CC1 ZINC001168585674 850590802 /nfs/dbraw/zinc/59/08/02/850590802.db2.gz BMDNYEVLXHLMAK-UHFFFAOYSA-N -2 0 360.307 0.387 20 0 FCADRL N=C(NC(=O)CSc1n[n-]c(=S)s1)SCCS(=O)(=O)[O-] ZINC001177346064 850841770 /nfs/dbraw/zinc/84/17/70/850841770.db2.gz NRVUDNKXHINTLS-UHFFFAOYSA-N -2 0 374.516 0.591 20 0 FCADRL O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCCOP(=O)([O-])[O-] ZINC001180814496 851069511 /nfs/dbraw/zinc/06/95/11/851069511.db2.gz XSXJISXBJIYLHH-UHFFFAOYSA-N -2 0 371.113 0.949 20 0 FCADRL C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCCOP(=O)([O-])[O-])CC1=O ZINC001181269857 851098589 /nfs/dbraw/zinc/09/85/89/851098589.db2.gz PBALFMJAVJCUMD-AAEUAGOBSA-N -2 0 356.315 0.822 20 0 FCADRL Cc1ccc(S(=O)(=O)NCCCC[P@@](=O)([O-])O)cc1C(=O)[O-] ZINC001184717479 851319470 /nfs/dbraw/zinc/31/94/70/851319470.db2.gz MKMFZXJJABGHIX-UHFFFAOYSA-N -3 0 351.317 0.929 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2c(C(N)=O)cnn2C)cc1C(=O)[O-] ZINC001185271495 851348307 /nfs/dbraw/zinc/34/83/07/851348307.db2.gz QACWSCIWIDIRRC-UHFFFAOYSA-N -2 0 354.344 0.027 20 0 FCADRL O=C(NCC1CC1)Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001186613225 851446320 /nfs/dbraw/zinc/44/63/20/851446320.db2.gz IPRFPQJEXOZKQP-UHFFFAOYSA-N -2 0 350.374 0.712 20 0 FCADRL NC(=O)c1cnc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC001188279879 851665831 /nfs/dbraw/zinc/66/58/31/851665831.db2.gz UHMUNOIKIQBGAM-UHFFFAOYSA-N -2 0 356.747 0.728 20 0 FCADRL COCCn1cncc1CNC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189900189 851839062 /nfs/dbraw/zinc/83/90/62/851839062.db2.gz UIVWFZQIJZEINE-UHFFFAOYSA-N -2 0 355.287 0.931 20 0 FCADRL CCOC(=O)c1nnc(CNC(=O)c2ccccc2OP(=O)([O-])[O-])o1 ZINC001189899428 851839618 /nfs/dbraw/zinc/83/96/18/851839618.db2.gz BHRBPEZQBZCMJL-UHFFFAOYSA-N -2 0 371.242 0.648 20 0 FCADRL N=c1c(N)c(Cl)ccn1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189914654 851841449 /nfs/dbraw/zinc/84/14/49/851841449.db2.gz LOONYIOYWDNVNQ-UHFFFAOYSA-N -2 0 371.758 0.837 20 0 FCADRL O=C([O-])c1cc(C(=O)NC[C@@H](O)c2ccco2)cc(S(=O)(=O)[O-])c1 ZINC001189914728 851841727 /nfs/dbraw/zinc/84/17/27/851841727.db2.gz QLJZDZYFEQOZQX-LLVKDONJSA-N -2 0 355.324 0.688 20 0 FCADRL CN(Cc1ncccn1)C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189913803 851841856 /nfs/dbraw/zinc/84/18/56/851841856.db2.gz BQSOHLLOWCNJOW-UHFFFAOYSA-N -2 0 351.340 0.694 20 0 FCADRL COCn1cc(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)cn1 ZINC001189913935 851842121 /nfs/dbraw/zinc/84/21/21/851842121.db2.gz BEMWQGIIVFVXQN-UHFFFAOYSA-N -2 0 355.328 0.684 20 0 FCADRL N=c1c(N)cnc(Cl)n1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189914656 851842194 /nfs/dbraw/zinc/84/21/94/851842194.db2.gz LTEQFJUSWHBLQG-UHFFFAOYSA-N -2 0 372.746 0.232 20 0 FCADRL C[C@@H]1CC[C@H](CO)CN1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189923859 851844658 /nfs/dbraw/zinc/84/46/58/851844658.db2.gz OSMHRUJNRKFFBW-ZJUUUORDSA-N -2 0 357.384 0.865 20 0 FCADRL COC(=O)[C@H]1CN(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)C[C@@H]1C ZINC001189925127 851844687 /nfs/dbraw/zinc/84/46/87/851844687.db2.gz XTMVYVSSPCRQGT-UFBFGSQYSA-N -2 0 371.367 0.513 20 0 FCADRL CC1(C)OCC(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)CO1 ZINC001189933063 851845286 /nfs/dbraw/zinc/84/52/86/851845286.db2.gz HTFTVPYGDLKWCM-UHFFFAOYSA-N -2 0 359.356 0.513 20 0 FCADRL Cc1noc(C2(NC(=O)c3cc(C(=O)[O-])cc(S(=O)(=O)[O-])c3)CC2)n1 ZINC001189941176 851846340 /nfs/dbraw/zinc/84/63/40/851846340.db2.gz CIMVAZBBEGEKEO-UHFFFAOYSA-N -2 0 367.339 0.742 20 0 FCADRL CN(C(=O)CCNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1)C1CC1 ZINC001189934440 851846605 /nfs/dbraw/zinc/84/66/05/851846605.db2.gz UQPFAVRIAIVEJK-UHFFFAOYSA-N -2 0 370.383 0.372 20 0 FCADRL O=C([O-])c1cc(C(=O)NCCO[C@H]2CCCCO2)cc(S(=O)(=O)[O-])c1 ZINC001189941782 851847030 /nfs/dbraw/zinc/84/70/30/851847030.db2.gz QKKSJCLTORODBF-ZDUSSCGKSA-N -2 0 373.383 0.905 20 0 FCADRL COC(CCCNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1)OC ZINC001189941492 851847120 /nfs/dbraw/zinc/84/71/20/851847120.db2.gz LVRNJKSAJVPEJV-UHFFFAOYSA-N -2 0 361.372 0.760 20 0 FCADRL Cn1nc(C(F)(F)F)c(C(=O)NCCOP(=O)([O-])[O-])c1Cl ZINC001190539280 851919808 /nfs/dbraw/zinc/91/98/08/851919808.db2.gz NGLLRQLOQPMDSQ-UHFFFAOYSA-N -2 0 351.605 0.931 20 0 FCADRL Cn1ncc(C(N)=O)c1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192106371 852182779 /nfs/dbraw/zinc/18/27/79/852182779.db2.gz CVIOJJNQZSHUQE-UHFFFAOYSA-N -2 0 352.372 0.337 20 0 FCADRL CNC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192114013 852182923 /nfs/dbraw/zinc/18/29/23/852182923.db2.gz UYQVVVMCSZUYBU-UHFFFAOYSA-N -2 0 364.383 0.654 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]c2cnc(C(N)=O)cn2)cc1C(=O)[O-] ZINC001192609071 852263884 /nfs/dbraw/zinc/26/38/84/852263884.db2.gz RBELNYJULPGONZ-UHFFFAOYSA-N -2 0 366.355 0.473 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])Nc1ccc(N2C(=O)C=CC2=O)cc1 ZINC001192616215 852265554 /nfs/dbraw/zinc/26/55/54/852265554.db2.gz SBQUYMAWWAEGDT-UHFFFAOYSA-N -2 0 355.243 0.347 20 0 FCADRL Cn1ncc2c1ncnc2[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192683542 852275326 /nfs/dbraw/zinc/27/53/26/852275326.db2.gz RNCJBEPZQGMICB-UHFFFAOYSA-N -2 0 363.355 0.628 20 0 FCADRL COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cn1 ZINC001192683854 852275965 /nfs/dbraw/zinc/27/59/65/852275965.db2.gz WADFZXOAGICSKG-UHFFFAOYSA-N -2 0 367.339 0.527 20 0 FCADRL COC(=O)c1ncc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cn1 ZINC001192686069 852276698 /nfs/dbraw/zinc/27/66/98/852276698.db2.gz LGPIHJMOTJFVNN-UHFFFAOYSA-N -2 0 367.339 0.527 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)c([O-])c1 ZINC001193265002 852400647 /nfs/dbraw/zinc/40/06/47/852400647.db2.gz XSHGDYNLLRGQIN-SNVBAGLBSA-N -2 0 364.445 0.563 20 0 FCADRL CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2nccn2C)cc1 ZINC001193551210 852444199 /nfs/dbraw/zinc/44/41/99/852444199.db2.gz WZYBJPDLKYYHMU-UHFFFAOYSA-N -2 0 358.401 0.046 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cccn(-c2ccc(F)cc2)c1=O ZINC001194520355 852609775 /nfs/dbraw/zinc/60/97/75/852609775.db2.gz JINOAAZEPBUTGV-UHFFFAOYSA-N -2 0 356.246 0.816 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncnn3cccc23)c(F)cc1F ZINC001195194569 852722726 /nfs/dbraw/zinc/72/27/26/852722726.db2.gz IEXIJZMVJDDKBB-UHFFFAOYSA-N -2 0 354.294 0.928 20 0 FCADRL NC(=O)c1ccc(Nc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])cn1 ZINC001203439125 853582172 /nfs/dbraw/zinc/58/21/72/853582172.db2.gz PIOFSYRTVNUBPP-UHFFFAOYSA-N -2 0 373.368 0.418 20 0 FCADRL COC(=O)c1cccc([C@H](C)OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001223798296 856944168 /nfs/dbraw/zinc/94/41/68/856944168.db2.gz SGJGEKNPKCXEAQ-KDDOJWQBSA-N -2 0 354.311 0.614 20 0 FCADRL O=C(OCc1ccccc1N1CCOCC1)[C@H](O)COP(=O)([O-])[O-] ZINC001224249336 856973423 /nfs/dbraw/zinc/97/34/23/856973423.db2.gz CDVDPLUPCLPETG-CYBMUJFWSA-N -2 0 361.287 0.037 20 0 FCADRL CCOP(=O)(CCOC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])OCC ZINC001224727211 856997959 /nfs/dbraw/zinc/99/79/59/856997959.db2.gz QTJUOUNULPZVGX-SCZZXKLOSA-N -2 0 356.264 0.332 20 0 FCADRL CCOP(=O)(CCOC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])OCC ZINC001224727210 856998517 /nfs/dbraw/zinc/99/85/17/856998517.db2.gz QTJUOUNULPZVGX-PSASIEDQSA-N -2 0 356.264 0.332 20 0 FCADRL CC(C)(C)OC(=O)NC1(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])CC1 ZINC001224796133 857001776 /nfs/dbraw/zinc/00/17/76/857001776.db2.gz FCOCBVOFRJIOMJ-WPRPVWTQSA-N -2 0 361.347 0.123 20 0 FCADRL COc1cc2c(cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])CCC2=O ZINC001225371529 857037374 /nfs/dbraw/zinc/03/73/74/857037374.db2.gz PXKQERZFKSRDJT-LKFCYVNXSA-N -2 0 352.295 0.266 20 0 FCADRL COc1cc2c(cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])C(=O)CC2 ZINC001225424620 857040431 /nfs/dbraw/zinc/04/04/31/857040431.db2.gz GTUYUGWJCXUQOL-YMTOWFKASA-N -2 0 352.295 0.266 20 0 FCADRL Cc1nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])ccc1Br ZINC001225750087 857058429 /nfs/dbraw/zinc/05/84/29/857058429.db2.gz PSLKYCLESCPMBO-SSDOTTSWSA-N -2 0 356.065 0.528 20 0 FCADRL CCOC(=O)c1c(C)cccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225810015 857061171 /nfs/dbraw/zinc/06/11/71/857061171.db2.gz JXZQTFFCBHHXSA-RNCFNFMXSA-N -2 0 354.311 0.614 20 0 FCADRL CCC(=O)c1cc(F)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(F)c1 ZINC001225891198 857070296 /nfs/dbraw/zinc/07/02/96/857070296.db2.gz HOVFFOAJVLOMDY-JMCQJSRRSA-N -2 0 360.265 0.999 20 0 FCADRL Cc1cc(C(F)(F)F)nc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001226175749 857087357 /nfs/dbraw/zinc/08/73/57/857087357.db2.gz ZRHMWJMEKKFCLO-XNCJUZBTSA-N -2 0 352.221 0.246 20 0 FCADRL Cc1cc(C(F)(F)F)cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001226186873 857088782 /nfs/dbraw/zinc/08/87/82/857088782.db2.gz QDWZQHWVRZHKOJ-XCBNKYQSSA-N -2 0 351.233 0.851 20 0 FCADRL Cc1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc(C(F)(F)F)n1 ZINC001226679774 857121006 /nfs/dbraw/zinc/12/10/06/857121006.db2.gz RKVMLNJEJKIHHY-XRGYYRRGSA-N -2 0 352.221 0.246 20 0 FCADRL Cc1nc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(C(F)(F)F)n1 ZINC001226712758 857122158 /nfs/dbraw/zinc/12/21/58/857122158.db2.gz VJRUXZQJKKQSEN-CDUCUWFYSA-N -2 0 352.221 0.246 20 0 FCADRL COc1cccc2sc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc21 ZINC001226988681 857135704 /nfs/dbraw/zinc/13/57/04/857135704.db2.gz HZLPAZMMSLWVHZ-KGFZYKRKSA-N -2 0 355.324 0.747 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(Br)c(F)cn1)[C@@H](O)C(=O)[O-] ZINC001227580599 857166167 /nfs/dbraw/zinc/16/61/67/857166167.db2.gz FJIZUALDTKVFIL-ALFREKQPSA-N -2 0 366.095 0.425 20 0 FCADRL COC(=O)c1cc(F)cc(F)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227752597 857174819 /nfs/dbraw/zinc/17/48/19/857174819.db2.gz OORXZNSWANCHNY-LHLIQPBNSA-N -2 0 362.237 0.193 20 0 FCADRL Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(Br)n1 ZINC001228064194 857190455 /nfs/dbraw/zinc/19/04/55/857190455.db2.gz BNJHXZWWUVFGEI-RCOVLWMOSA-N -2 0 362.132 0.594 20 0 FCADRL CCOC(=O)c1ccc(O)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001228104294 857191700 /nfs/dbraw/zinc/19/17/00/857191700.db2.gz MYMHSINZALZXII-UFBFGSQYSA-N -2 0 356.283 0.011 20 0 FCADRL COc1cccc2c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ncnc12 ZINC001228873937 857233109 /nfs/dbraw/zinc/23/31/09/857233109.db2.gz JPPSSRGPGUAABK-QPUJVOFHSA-N -2 0 350.283 0.080 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2ccc(Cl)cc21)[C@@H](O)C(=O)[O-] ZINC001228911329 857238586 /nfs/dbraw/zinc/23/85/86/857238586.db2.gz CKRCBIYOUDKEBF-GMSGAONNSA-N -3 0 370.701 0.431 20 0 FCADRL Cc1cccc2c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])[nH]c(=O)nc12 ZINC001229407843 857268542 /nfs/dbraw/zinc/26/85/42/857268542.db2.gz QGOHOEYYGXJOJJ-GZMMTYOYSA-N -2 0 350.283 0.086 20 0 FCADRL CCC(=O)c1ccc(OC)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001229447961 857270993 /nfs/dbraw/zinc/27/09/93/857270993.db2.gz YGJFVQWPMWPXCM-YGRLFVJLSA-N -2 0 354.311 0.730 20 0 FCADRL CCN(CC)c1nc(C)cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001229539702 857274137 /nfs/dbraw/zinc/27/41/37/857274137.db2.gz SGOFBTYPYRGNDX-SKDRFNHKSA-N -2 0 355.347 0.073 20 0 FCADRL CCN(CC)c1nc(C)cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001229539699 857274445 /nfs/dbraw/zinc/27/44/45/857274445.db2.gz SGOFBTYPYRGNDX-CABZTGNLSA-N -2 0 355.347 0.073 20 0 FCADRL CCOC(=O)c1cc(Cl)ccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001229562327 857275211 /nfs/dbraw/zinc/27/52/11/857275211.db2.gz GKULIHOODVFVFU-BXKDBHETSA-N -2 0 374.729 0.959 20 0 FCADRL Cc1cccc(Oc2cnc(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc2)c1 ZINC001229813888 857288572 /nfs/dbraw/zinc/28/85/72/857288572.db2.gz MBBJHJDVYGDGBC-GFCCVEGCSA-N -2 0 370.254 0.953 20 0 FCADRL COC(=O)c1c(Cl)cccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001229843388 857289537 /nfs/dbraw/zinc/28/95/37/857289537.db2.gz VYLDECJREVSQLW-KGFZYKRKSA-N -2 0 360.702 0.568 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(Cl)c2c1C(=O)CC2)[C@H](O)C(=O)[O-] ZINC001229851582 857290126 /nfs/dbraw/zinc/29/01/26/857290126.db2.gz YFNQENJIVUMVTG-UHLUBPPHSA-N -2 0 356.714 0.911 20 0 FCADRL O=C1CCCC[C@@H]1Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-] ZINC001230143345 857307580 /nfs/dbraw/zinc/30/75/80/857307580.db2.gz DJYBCODIIBAICW-JTQLQIEISA-N -2 0 366.369 0.776 20 0 FCADRL CC[C@H](COC)Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-] ZINC001230146998 857307666 /nfs/dbraw/zinc/30/76/66/857307666.db2.gz NQTSHIUDJMWWER-SSDOTTSWSA-N -2 0 356.374 0.689 20 0 FCADRL CC(=O)N1CCc2c1cccc2OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230484098 857340330 /nfs/dbraw/zinc/34/03/30/857340330.db2.gz AIRHKPVRFMVUQE-HZMBPMFUSA-N -2 0 351.311 0.037 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ncnc2c(Cl)cccc12)[C@@H](O)C(=O)[O-] ZINC001230778490 857347643 /nfs/dbraw/zinc/34/76/43/857347643.db2.gz GRBPKNCAILAQOU-WRWORJQWSA-N -2 0 354.702 0.725 20 0 FCADRL O=C(Oc1cc(O)cc(Br)c1)[C@H](O)COP(=O)([O-])[O-] ZINC001231015790 857353708 /nfs/dbraw/zinc/35/37/08/857353708.db2.gz RWOZELIDLCRHKS-MRVPVSSYSA-N -2 0 357.049 0.530 20 0 FCADRL COc1ccc(C(C)=O)c(O)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001231326755 857358426 /nfs/dbraw/zinc/35/84/26/857358426.db2.gz IASKNPLFMMNADO-QPUJVOFHSA-N -2 0 356.283 0.045 20 0 FCADRL CCCOC(=O)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001231341135 857359476 /nfs/dbraw/zinc/35/94/76/857359476.db2.gz UJZONRMCPPBISO-MFKMUULPSA-N -2 0 354.311 0.695 20 0 FCADRL COc1ncc(Br)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001233779853 857390312 /nfs/dbraw/zinc/39/03/12/857390312.db2.gz SSTPQZVRJZFSRB-ZCFIWIBFSA-N -2 0 372.064 0.228 20 0 FCADRL COC(=O)c1cc(F)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(F)c1 ZINC001234011086 857393807 /nfs/dbraw/zinc/39/38/07/857393807.db2.gz VAAFZAORRVPHJV-LDWIPMOCSA-N -2 0 362.237 0.193 20 0 FCADRL COC(=O)c1cc(F)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(F)c1 ZINC001234011089 857394999 /nfs/dbraw/zinc/39/49/99/857394999.db2.gz VAAFZAORRVPHJV-WKEGUHRASA-N -2 0 362.237 0.193 20 0 FCADRL COc1c(Cl)ccc(F)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234328129 857401346 /nfs/dbraw/zinc/40/13/46/857401346.db2.gz MIAHIWYYIDFDDG-CDUCUWFYSA-N -2 0 350.682 0.930 20 0 FCADRL COC(=O)[C@H](C)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234820687 857412395 /nfs/dbraw/zinc/41/23/95/857412395.db2.gz NCOKWWKZVNTLBC-DVYJOKAKSA-N -2 0 354.311 0.405 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc2c(c(Cl)c1)C(=O)CC2)[C@H](O)C(=O)[O-] ZINC001234847181 857413947 /nfs/dbraw/zinc/41/39/47/857413947.db2.gz VPSZHJXFYOIAGN-OQPBUACISA-N -2 0 356.714 0.911 20 0 FCADRL C[C@@H]1CC(=O)N(C)c2ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc21 ZINC001234851543 857414075 /nfs/dbraw/zinc/41/40/75/857414075.db2.gz LKTZPVXMJWZUKY-PRHODGIISA-N -2 0 359.271 0.532 20 0 FCADRL CC(=O)n1ncc2cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccc21 ZINC001234871715 857414701 /nfs/dbraw/zinc/41/47/01/857414701.db2.gz MFQYIMAWQRVYNF-GXFFZTMASA-N -2 0 350.283 0.138 20 0 FCADRL CCOc1noc2cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccc21 ZINC001234907375 857414871 /nfs/dbraw/zinc/41/48/71/857414871.db2.gz HCKQHRLPTQCMCI-JOYOIKCWSA-N -2 0 353.283 0.668 20 0 FCADRL NC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccn2)cc1 ZINC001259289410 858254914 /nfs/dbraw/zinc/25/49/14/858254914.db2.gz VXKKJCZZQSZERR-UHFFFAOYSA-N -2 0 356.385 0.239 20 0 FCADRL CCOC(=O)c1cnc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cn1 ZINC001260392595 858365316 /nfs/dbraw/zinc/36/53/16/858365316.db2.gz HUMVIMBWIUDENF-UHFFFAOYSA-N -2 0 367.339 0.858 20 0 FCADRL COC(=O)c1onc(C)c1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260393338 858365745 /nfs/dbraw/zinc/36/57/45/858365745.db2.gz GANHZLWJACHJEM-UHFFFAOYSA-N -2 0 356.312 0.974 20 0 FCADRL COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cn1 ZINC001260393356 858366545 /nfs/dbraw/zinc/36/65/45/858366545.db2.gz WHYOCUVBLFXEFR-UHFFFAOYSA-N -2 0 353.312 0.468 20 0 FCADRL O=P([O-])([O-])OCCNS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC001260501716 858376021 /nfs/dbraw/zinc/37/60/21/858376021.db2.gz NQQAUNMOKUYFDB-UHFFFAOYSA-N -2 0 365.222 0.973 20 0 FCADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(N)=O)cc1 ZINC001261030515 858438980 /nfs/dbraw/zinc/43/89/80/858438980.db2.gz WUKPPIGMOJDSMR-UHFFFAOYSA-N -2 0 373.416 0.184 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)c1 ZINC001303596884 866443589 /nfs/dbraw/zinc/44/35/89/866443589.db2.gz RSHMXLBOTMPZMX-UOXLDJKESA-N -2 0 363.443 0.797 20 0 FCADRL COc1n[nH]c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2OC)n1 ZINC000321711353 970800567 /nfs/dbraw/zinc/80/05/67/970800567.db2.gz PJSJVJWUZJDISD-UHFFFAOYSA-N -2 0 362.751 0.974 20 0 FCADRL O=C([O-])COCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ncccn2)c1 ZINC001602078512 971145595 /nfs/dbraw/zinc/14/55/95/971145595.db2.gz XXAXKROTNWZTHY-UHFFFAOYSA-N -2 0 366.355 0.317 20 0 FCADRL NS(=O)(=O)c1ccccc1[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000324678140 971146754 /nfs/dbraw/zinc/14/67/54/971146754.db2.gz NUEPRGZZCFKXKJ-UHFFFAOYSA-N -2 0 370.408 0.974 20 0 FCADRL O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1nn(-c3cccc(F)c3)cc1[O-])C2 ZINC001595280243 949972864 /nfs/dbraw/zinc/97/28/64/949972864.db2.gz UKBWJNBQJNZOEE-BTDLBPIBSA-N -2 0 361.329 0.890 20 0 FCADRL CCOC(=O)c1[n-]c(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)nc1Cl ZINC001591005696 951037644 /nfs/dbraw/zinc/03/76/44/951037644.db2.gz IKNQFEXZQNZAAW-ZETCQYMHSA-N -2 0 372.765 0.502 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001602950414 971927029 /nfs/dbraw/zinc/92/70/29/971927029.db2.gz VWGUWJOMPGLGGZ-ZYTOWTHASA-N -2 0 366.336 0.972 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@@]2(C)C(=O)[O-])c1 ZINC001593706537 954149459 /nfs/dbraw/zinc/14/94/59/954149459.db2.gz AODSMCGINYIWSV-HNNXBMFYSA-N -2 0 356.400 0.722 20 0 FCADRL O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC001594961824 955021060 /nfs/dbraw/zinc/02/10/60/955021060.db2.gz MULMWNYMNOIUTP-SECBINFHSA-N -2 0 356.381 0.440 20 0 FCADRL O=C([O-])c1n[nH]cc1NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001594697294 956785071 /nfs/dbraw/zinc/78/50/71/956785071.db2.gz FWRALIOLXHFBHE-UHFFFAOYSA-N -2 0 360.298 0.303 20 0 FCADRL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)NCCCC(=O)[O-])c1OC ZINC000006090259 956875228 /nfs/dbraw/zinc/87/52/28/956875228.db2.gz IYWJPZXARFGICD-WAYWQWQTSA-N -2 0 373.383 0.945 20 0 FCADRL O=C([O-])[C@H]1C[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c2ccccc21 ZINC001594714807 956913983 /nfs/dbraw/zinc/91/39/83/956913983.db2.gz MYZLYXDWQHLZSK-WCQYABFASA-N -2 0 353.338 0.501 20 0 FCADRL CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)[N-]OC[C@H]2CCOC2)C1 ZINC001573450763 958874445 /nfs/dbraw/zinc/87/44/45/958874445.db2.gz HSQNSLDWQOAQBM-ZBEGNZNMSA-N -2 0 374.390 0.161 20 0 FCADRL CCc1cc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])no1 ZINC001573952116 961648686 /nfs/dbraw/zinc/64/86/86/961648686.db2.gz FDMBJTXEFSTTPA-WPRPVWTQSA-N -2 0 363.292 0.973 20 0 FCADRL C[C@H](CN(C)C(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1)c1nnn[n-]1 ZINC001609902275 970593656 /nfs/dbraw/zinc/59/36/56/970593656.db2.gz QLTPRCWSJAJRFT-MFKMUULPSA-N -2 0 357.374 0.481 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1nccs1 ZINC001605974134 972990544 /nfs/dbraw/zinc/99/05/44/972990544.db2.gz LAWOZFWRAORAAU-RNFRBKRXSA-N -2 0 351.306 0.879 20 0 FCADRL CC(C)Oc1c(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cccc1C(=O)[O-] ZINC001591740769 975742039 /nfs/dbraw/zinc/74/20/39/975742039.db2.gz IIJDLXAZOZOHKW-VIFPVBQESA-N -2 0 352.343 0.947 20 0 FCADRL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)NC(=O)C1CCCC1 ZINC001592260062 977500534 /nfs/dbraw/zinc/50/05/34/977500534.db2.gz UXAFOSJIYSKAJQ-VIFPVBQESA-N -2 0 372.399 0.868 20 0 FCADRL C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001592406113 977980790 /nfs/dbraw/zinc/98/07/90/977980790.db2.gz MGOUDBMCEXRCOO-NSHDSACASA-N -2 0 351.421 0.509 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)N3CCC(O)(C(=O)[O-])CC3)cc2[n-]c1=S ZINC000738402840 978534319 /nfs/dbraw/zinc/53/43/19/978534319.db2.gz CYPFACISXAJEQA-UHFFFAOYSA-N -2 0 363.395 0.274 20 0 FCADRL C[C@H](CNC(=O)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C(=O)[O-] ZINC001592629180 978608773 /nfs/dbraw/zinc/60/87/73/978608773.db2.gz HYWNOIRFPUOAGK-PWSUYJOCSA-N -2 0 350.371 0.792 20 0 FCADRL C[C@H](CNC(=O)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)C(=O)[O-] ZINC001592629696 978609617 /nfs/dbraw/zinc/60/96/17/978609617.db2.gz KTJDJAVXGLRUMH-SECBINFHSA-N -2 0 373.365 0.588 20 0 FCADRL C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1)C(=O)[O-] ZINC001592633762 978616326 /nfs/dbraw/zinc/61/63/26/978616326.db2.gz ZNNVUPPVIWNXLK-LURJTMIESA-N -2 0 373.159 0.923 20 0 FCADRL C[C@@](CO)(CNS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-])CC(=O)[O-] ZINC001592729874 979245570 /nfs/dbraw/zinc/24/55/70/979245570.db2.gz SXMJBFASPOVJFN-ZDUSSCGKSA-N -2 0 365.791 0.790 20 0 FCADRL C[C@H](CS(=O)(=O)N[C@H](Cc1ccc2c(c1)OCO2)C(=O)[O-])C(=O)[O-] ZINC001592806498 979469871 /nfs/dbraw/zinc/46/98/71/979469871.db2.gz HYAXCVVBTATTLF-PSASIEDQSA-N -2 0 359.356 0.051 20 0 FCADRL CC[C@H](NS(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)[O-])C(=O)[O-] ZINC001595316381 980482775 /nfs/dbraw/zinc/48/27/75/980482775.db2.gz FXHOWBCRFQIQKC-LURJTMIESA-N -2 0 365.385 0.683 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])C1=O ZINC001595371538 980852239 /nfs/dbraw/zinc/85/22/39/980852239.db2.gz HDQTXHKDTGXRQE-CYBMUJFWSA-N -2 0 359.335 0.438 20 0 FCADRL CCCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])C1 ZINC001595523788 981349772 /nfs/dbraw/zinc/34/97/72/981349772.db2.gz SKFGQTKZPJHRNM-WOPDTQHZSA-N -2 0 362.448 0.580 20 0 FCADRL CCCN(CC)C(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1 ZINC001595865209 982824202 /nfs/dbraw/zinc/82/42/02/982824202.db2.gz WFBWQACBQPDKIT-UHFFFAOYSA-N -2 0 356.400 0.703 20 0 FCADRL CCN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC001596219497 983610924 /nfs/dbraw/zinc/61/09/24/983610924.db2.gz YKRAQRHEJOQXCH-UHFFFAOYSA-N -2 0 356.400 0.723 20 0 FCADRL CCN(CC(=O)[O-])C(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C)c1 ZINC001596222427 983614014 /nfs/dbraw/zinc/61/40/14/983614014.db2.gz OLIOMUGHFFIJNW-UHFFFAOYSA-N -2 0 372.428 0.829 20 0 FCADRL CCN(CC(=O)[O-])S(=O)(=O)c1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC001596228940 983620652 /nfs/dbraw/zinc/62/06/52/983620652.db2.gz XODFDGYJTMFJIG-UHFFFAOYSA-N -2 0 365.385 0.637 20 0 FCADRL CCOC(=O)C1(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001596543077 984391269 /nfs/dbraw/zinc/39/12/69/984391269.db2.gz OOMBHXRZOPNDMW-UHFFFAOYSA-N -2 0 355.368 0.674 20 0 FCADRL C[C@H](NC(=O)[C@H](C)NC(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)[O-] ZINC001599899560 984795957 /nfs/dbraw/zinc/79/59/57/984795957.db2.gz ZPBTZENYLWQCEB-IUCAKERBSA-N -2 0 364.333 0.425 20 0 FCADRL CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(OCC(=O)[O-])cc1 ZINC001596736147 985025871 /nfs/dbraw/zinc/02/58/71/985025871.db2.gz UTDPGMUCZBYLTQ-UHFFFAOYSA-N -2 0 369.355 0.851 20 0 FCADRL CC(=O)[C@@H]([N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1)c1ccccc1F ZINC001589024117 985029763 /nfs/dbraw/zinc/02/97/63/985029763.db2.gz CMWMAGZNCLSYEC-CQSZACIVSA-N -2 0 355.347 0.715 20 0 FCADRL CC(=O)N(CCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])Cc1ccccc1 ZINC001589047399 985130240 /nfs/dbraw/zinc/13/02/40/985130240.db2.gz POBOXFGGPDIJIE-NSHDSACASA-N -2 0 356.400 0.344 20 0 FCADRL C[C@H]1OCCN(S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC001599936582 985403080 /nfs/dbraw/zinc/40/30/80/985403080.db2.gz XDQPAYCPZIQSRW-HQJQHLMTSA-N -2 0 363.775 0.901 20 0 FCADRL CC(=O)NCC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001589127605 985403268 /nfs/dbraw/zinc/40/32/68/985403268.db2.gz BTBXVXZECAGSLX-UHFFFAOYSA-N -2 0 368.289 0.345 20 0 FCADRL CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccn(C(C)(C)C(=O)[O-])n2)s1 ZINC001589224985 985750870 /nfs/dbraw/zinc/75/08/70/985750870.db2.gz MXRSLOPENSZRSF-UHFFFAOYSA-N -2 0 373.416 0.919 20 0 FCADRL CC(=O)c1[nH]c(CC(=O)N(Cc2nnn[n-]2)CC(C)C)c(C(=O)[O-])c1C ZINC001589234040 985790696 /nfs/dbraw/zinc/79/06/96/985790696.db2.gz ORGUQDARMJNPLG-UHFFFAOYSA-N -2 0 362.390 0.964 20 0 FCADRL CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1c[n-]n2c1nccc2=O ZINC001596911305 985913359 /nfs/dbraw/zinc/91/33/59/985913359.db2.gz HLWYKWQHKOQKBH-LLVKDONJSA-N -2 0 350.375 0.612 20 0 FCADRL CCO[N-]C(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001596968986 986188827 /nfs/dbraw/zinc/18/88/27/986188827.db2.gz SUQBORQDWDDVIR-UHFFFAOYSA-N -2 0 352.368 0.884 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C ZINC001589450128 986836660 /nfs/dbraw/zinc/83/66/60/986836660.db2.gz ATRYCFOIPAFDKQ-RGOKHQFPSA-N -2 0 364.420 0.455 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cn1cc(Br)cn1 ZINC001589450136 986836839 /nfs/dbraw/zinc/83/68/39/986836839.db2.gz AVCRNRPCFHZIDJ-RQJHMYQMSA-N -2 0 368.209 0.201 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1ccn(-c2ccccc2)n1 ZINC001589452674 986850657 /nfs/dbraw/zinc/85/06/57/986850657.db2.gz MFZWMXIOLNYSQJ-VXGBXAGGSA-N -2 0 365.411 0.970 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CSCc1cscn1 ZINC001589452722 986850732 /nfs/dbraw/zinc/85/07/32/986850732.db2.gz MRCRWUPTHJSNMQ-JGVFFNPUSA-N -2 0 352.459 0.932 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCS(=O)(=O)C1CCCC1 ZINC001589452963 986854825 /nfs/dbraw/zinc/85/48/25/986854825.db2.gz OCSIMDURZDWDPW-UWVGGRQHSA-N -2 0 369.461 0.289 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccnc(N2CCCCC2)n1 ZINC001589453126 986857496 /nfs/dbraw/zinc/85/74/96/986857496.db2.gz DNQGDVXKLMYTNU-MNOVXSKESA-N -2 0 370.431 0.636 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1-n1cccc1 ZINC001589453704 986864894 /nfs/dbraw/zinc/86/48/94/986864894.db2.gz IFQCGQGMOKFBCS-ZJUUUORDSA-N -2 0 354.388 0.380 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)Nc1ccccc1 ZINC001589453962 986870076 /nfs/dbraw/zinc/87/00/76/986870076.db2.gz RYZAUKBNBYQESM-ZJUUUORDSA-N -2 0 357.388 0.363 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccnc(NC(=O)C2CC2)c1 ZINC001589454532 986880131 /nfs/dbraw/zinc/88/01/31/986880131.db2.gz OUMLSQOMCNNBPK-RKDXNWHRSA-N -2 0 369.399 0.599 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)nc1 ZINC001589454633 986882930 /nfs/dbraw/zinc/88/29/30/986882930.db2.gz XAMVKPQUEWNSBG-VHSXEESVSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCC(=O)N2C ZINC001589454979 986889142 /nfs/dbraw/zinc/88/91/42/986889142.db2.gz TUOCGEUZWSRLGY-VHSXEESVSA-N -2 0 368.411 0.764 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1nc(C(F)(F)F)n2c1CCCC2 ZINC001589491257 987057910 /nfs/dbraw/zinc/05/79/10/987057910.db2.gz JGZPMMGCJQGXNI-LURJTMIESA-N -2 0 369.321 0.771 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C ZINC001589493643 987068831 /nfs/dbraw/zinc/06/88/31/987068831.db2.gz FAIFJAOFMJZNJD-IUCAKERBSA-N -2 0 366.461 0.243 20 0 FCADRL CCC(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001594702053 987145000 /nfs/dbraw/zinc/14/50/00/987145000.db2.gz YPCHFWYVKRPRAH-JTQLQIEISA-N -2 0 372.399 0.882 20 0 FCADRL CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cn2ccc(C(=O)[O-])n2)c1 ZINC001597239802 987210398 /nfs/dbraw/zinc/21/03/98/987210398.db2.gz NBTUYZOHHCTVRK-UHFFFAOYSA-N -2 0 353.356 0.719 20 0 FCADRL CCSc1cccnc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001597279948 987347244 /nfs/dbraw/zinc/34/72/44/987347244.db2.gz OZQRRLBHYZDYFQ-UHFFFAOYSA-N -2 0 373.456 0.965 20 0 FCADRL CC[C@@H](NC(=O)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1)C(=O)[O-] ZINC001597285620 987361127 /nfs/dbraw/zinc/36/11/27/987361127.db2.gz WCWQQKZITLFLDF-GMSGAONNSA-N -2 0 356.306 0.596 20 0 FCADRL CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC)C(=O)[O-] ZINC001597351140 987493400 /nfs/dbraw/zinc/49/34/00/987493400.db2.gz OAKDIPBRTHTMAI-YFKPBYRVSA-N -2 0 351.358 0.374 20 0 FCADRL CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC001589643169 987570898 /nfs/dbraw/zinc/57/08/98/987570898.db2.gz IYEDSUVXKZTXTR-UHFFFAOYSA-N -2 0 355.372 0.246 20 0 FCADRL CC(C)(C)C(=O)NCCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001589690943 987757020 /nfs/dbraw/zinc/75/70/20/987757020.db2.gz MCVAMEQOIUJSTE-UHFFFAOYSA-N -2 0 356.400 0.742 20 0 FCADRL CC(C)(C)N1CC[C@](F)(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001589806669 988233099 /nfs/dbraw/zinc/23/30/99/988233099.db2.gz SHXQQYVTICQDAZ-CQSZACIVSA-N -2 0 362.379 0.995 20 0 FCADRL CSc1nc(C)c(CCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c(=O)[nH]1 ZINC001599827722 988623504 /nfs/dbraw/zinc/62/35/04/988623504.db2.gz JKIWGLFOLXNQQR-ZETCQYMHSA-N -2 0 363.417 0.064 20 0 FCADRL CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001590118778 989333024 /nfs/dbraw/zinc/33/30/24/989333024.db2.gz XIMJDTWQGAXKGC-ZETCQYMHSA-N -2 0 374.362 0.456 20 0 FCADRL CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)[N-]OCCN1CCCC1=O ZINC001590246041 989633109 /nfs/dbraw/zinc/63/31/09/989633109.db2.gz BDDAZWOZLFRZNS-JTQLQIEISA-N -2 0 359.379 0.025 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)N[C@@H](CCOC)C(=O)[O-])cc2[n-]c1=S ZINC001597860360 989634431 /nfs/dbraw/zinc/63/44/31/989634431.db2.gz PFHZTHJVYDRYJW-NSHDSACASA-N -2 0 365.411 0.925 20 0 FCADRL CN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@H](COC1CCC1)C(=O)[O-] ZINC001598078999 990390433 /nfs/dbraw/zinc/39/04/33/990390433.db2.gz PCZSRDIUQFRNRJ-GFCCVEGCSA-N -2 0 372.399 0.134 20 0 FCADRL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nn2)cc1 ZINC001598157611 990654608 /nfs/dbraw/zinc/65/46/08/990654608.db2.gz OVYXGJUUFQBIOO-UHFFFAOYSA-N -2 0 350.356 0.677 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)c1 ZINC001598277298 991159411 /nfs/dbraw/zinc/15/94/11/991159411.db2.gz UFLKUOJGRQWZGY-OAHLLOKOSA-N -2 0 356.400 0.626 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c1 ZINC001598277338 991160436 /nfs/dbraw/zinc/16/04/36/991160436.db2.gz WROJFMQVHJAWHC-MRXNPFEDSA-N -2 0 370.427 0.969 20 0 FCADRL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c(C(N)=O)c1 ZINC001598325132 991340759 /nfs/dbraw/zinc/34/07/59/991340759.db2.gz GJSQALKEYQPFIA-UHFFFAOYSA-N -2 0 364.383 0.746 20 0 FCADRL COc1nccc(CS(=O)(=O)C=C([O-])c2[nH]c(C)c(C(=O)[O-])c2C)n1 ZINC001599735646 991770539 /nfs/dbraw/zinc/77/05/39/991770539.db2.gz IPUXCWKZUYJYOE-UHFFFAOYSA-N -2 0 367.383 0.926 20 0 FCADRL CS(=O)(=O)[N-]c1nnc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)s1 ZINC001599761989 992134427 /nfs/dbraw/zinc/13/44/27/992134427.db2.gz FBTIUWLSDZUBQS-UHFFFAOYSA-N -2 0 360.417 0.883 20 0 FCADRL CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001599762649 992143809 /nfs/dbraw/zinc/14/38/09/992143809.db2.gz WAGMRZCXVLARIM-CMPLNLGQSA-N -2 0 356.400 0.525 20 0 FCADRL COc1ccc(NC(=O)CCS(=O)(=O)c2ncc(C(=O)[O-])[n-]2)cc1 ZINC001599590782 993679628 /nfs/dbraw/zinc/67/96/28/993679628.db2.gz ISWCSAURBQQUQJ-UHFFFAOYSA-N -2 0 353.356 0.919 20 0 FCADRL COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)[C@@H]2C(=O)[O-])cc1C(=O)[O-] ZINC001599609628 993934233 /nfs/dbraw/zinc/93/42/33/993934233.db2.gz MEGNMQFMNDDXLH-IGJMFERPSA-N -2 0 373.383 0.645 20 0 FCADRL COc1ccc(S(=O)(=O)N2CCC(OCC(=O)[O-])CC2)cc1C(=O)[O-] ZINC001599610375 993944704 /nfs/dbraw/zinc/94/47/04/993944704.db2.gz UCNBRTLBWMJGFA-UHFFFAOYSA-N -2 0 373.383 0.648 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCO2)c(CC(=O)[O-])c1 ZINC001599612215 993969895 /nfs/dbraw/zinc/96/98/95/993969895.db2.gz XIBCOUHFCDELMW-LBPRGKRZSA-N -2 0 357.384 0.696 20 0 FCADRL C[C@H](NC(=O)c1cccs1)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001593179396 994063035 /nfs/dbraw/zinc/06/30/35/994063035.db2.gz RAEHRNQJTHCTLA-VGMNWLOBSA-N -2 0 362.429 0.422 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1C ZINC001598651670 994453301 /nfs/dbraw/zinc/45/33/01/994453301.db2.gz RZCYLSIZIILNCA-UHFFFAOYSA-N -2 0 370.362 0.576 20 0 FCADRL CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2N)cn1C ZINC001598656505 994530315 /nfs/dbraw/zinc/53/03/15/994530315.db2.gz BKGYTXSLVJBLEE-UHFFFAOYSA-N -2 0 352.372 0.466 20 0 FCADRL COc1cccc([C@H](NS(=O)(=O)CC2(CC(=O)[O-])CC2)C(=O)[O-])c1 ZINC001599659953 994640494 /nfs/dbraw/zinc/64/04/94/994640494.db2.gz QZGOGQSDABFLGU-ZDUSSCGKSA-N -2 0 357.384 0.995 20 0 FCADRL COc1cccc(CCC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001599670549 994803933 /nfs/dbraw/zinc/80/39/33/994803933.db2.gz DBTLJDPRBAOFLG-UHFFFAOYSA-N -2 0 370.427 0.785 20 0 FCADRL COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001598683934 994976972 /nfs/dbraw/zinc/97/69/72/994976972.db2.gz CIFHBLONBPCKOM-UHFFFAOYSA-N -2 0 357.384 0.573 20 0 FCADRL COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001598687982 995022626 /nfs/dbraw/zinc/02/26/26/995022626.db2.gz CETYBBRGRUJKRG-ZONUIFDKSA-N -2 0 359.356 0.635 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccn(C)n1 ZINC001598713805 995380200 /nfs/dbraw/zinc/38/02/00/995380200.db2.gz OMJYOGAYZGJEAB-CYBMUJFWSA-N -2 0 367.383 0.619 20 0 FCADRL COC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC001598716559 995417309 /nfs/dbraw/zinc/41/73/09/995417309.db2.gz MSKKXOPSFKLBKE-UHFFFAOYSA-N -2 0 361.759 0.796 20 0 FCADRL COC(=O)[C@H]1CN(C(=O)c2nn(-c3ccccc3)cc2[O-])C[C@@H]1C(=O)[O-] ZINC001598819405 996307363 /nfs/dbraw/zinc/30/73/63/996307363.db2.gz OKHNRVIWLWCPEE-RYUDHWBXSA-N -2 0 359.338 0.524 20 0 FCADRL COC(=O)CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1[O-])C(=O)[O-] ZINC001598859000 996659899 /nfs/dbraw/zinc/65/98/99/996659899.db2.gz WGSBVXUMLLPINO-MRVPVSSYSA-N -2 0 351.764 0.730 20 0 FCADRL COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nn2)cc1 ZINC001598867184 996714663 /nfs/dbraw/zinc/71/46/63/996714663.db2.gz MNGDGVWLCLJJKR-UHFFFAOYSA-N -2 0 367.339 0.527 20 0 FCADRL COC(=O)C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F)C(=O)[O-] ZINC001598868767 996725525 /nfs/dbraw/zinc/72/55/25/996725525.db2.gz WGMGYMLIYFNCBE-SECBINFHSA-N -2 0 363.319 0.127 20 0 FCADRL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2c(C(=O)[O-])c(C)nn2C)cc1 ZINC001598871211 996738183 /nfs/dbraw/zinc/73/81/83/996738183.db2.gz BLQGDYRETIJRMA-UHFFFAOYSA-N -2 0 367.383 0.943 20 0 FCADRL COC[C@@H](NC(=O)c1cccc(I)c1[O-])C(=O)[O-] ZINC001599173964 996804820 /nfs/dbraw/zinc/80/48/20/996804820.db2.gz GJCGPYTVYSSADY-MRVPVSSYSA-N -2 0 365.123 0.826 20 0 FCADRL COc1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1OC ZINC001599485381 996840347 /nfs/dbraw/zinc/84/03/47/996840347.db2.gz SBHUVEDYUKMSMR-UHFFFAOYSA-N -2 0 372.399 0.475 20 0 FCADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)NC[C@H](CC(=O)[O-])OC ZINC001599385164 996931880 /nfs/dbraw/zinc/93/18/80/996931880.db2.gz QEPCZZWISCXNDM-LURJTMIESA-N -2 0 353.374 0.223 20 0 FCADRL COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001598898538 997128378 /nfs/dbraw/zinc/12/83/78/997128378.db2.gz YCKQAPRSBUEKQN-WDEREUQCSA-N -2 0 370.383 0.747 20 0 FCADRL COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC001599194221 997185193 /nfs/dbraw/zinc/18/51/93/997185193.db2.gz INBFQFDTEHOVRF-AWEZNQCLSA-N -2 0 361.347 0.636 20 0 FCADRL COc1ccc([C@@H](CC(=O)[O-])NC(=O)CCCn2c(=O)[n-][nH]c2=O)cc1 ZINC001599510092 997281931 /nfs/dbraw/zinc/28/19/31/997281931.db2.gz GIEFKSDANVQBOK-GFCCVEGCSA-N -2 0 364.358 0.810 20 0 FCADRL COCn1nc(C)c(S(=O)(=O)[N-]c2ccn(C(C)(C)C(=O)[O-])n2)c1C ZINC001599308416 997369132 /nfs/dbraw/zinc/36/91/32/997369132.db2.gz MXDGDBIEMYCEIT-UHFFFAOYSA-N -2 0 371.419 0.921 20 0 FCADRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)[N-]C(=O)[C@H](C)OC ZINC001598916565 997479244 /nfs/dbraw/zinc/47/92/44/997479244.db2.gz VIQOIILFHQYOOZ-LURJTMIESA-N -2 0 365.385 0.381 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)c1 ZINC001598922400 997590573 /nfs/dbraw/zinc/59/05/73/997590573.db2.gz PUFMETHXTIPSQD-GZMMTYOYSA-N -2 0 369.351 0.479 20 0 FCADRL COc1cc(NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])ccc1C(=O)[O-] ZINC001599428761 997722485 /nfs/dbraw/zinc/72/24/85/997722485.db2.gz BOTSJQSAMLMBJR-UHFFFAOYSA-N -2 0 352.343 0.949 20 0 FCADRL COCCN([C@H](C)C(=O)[O-])S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001599232622 997888771 /nfs/dbraw/zinc/88/87/71/997888771.db2.gz PNXXPSYKRMFKNX-LLVKDONJSA-N -2 0 351.421 0.773 20 0 FCADRL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1 ZINC001598937577 997898867 /nfs/dbraw/zinc/89/88/67/997898867.db2.gz JGJBXOUTKZRXAN-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001599235087 997930618 /nfs/dbraw/zinc/93/06/18/997930618.db2.gz NDSHZCHDXQNOHS-UHFFFAOYSA-N -2 0 361.372 0.044 20 0 FCADRL COc1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)ccc1C(=O)[O-] ZINC001599445769 998006032 /nfs/dbraw/zinc/00/60/32/998006032.db2.gz ZZBNIEJDHRSBTO-UHFFFAOYSA-N -3 0 355.328 0.475 20 0 FCADRL COc1cc(OC)cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC001599453619 998150182 /nfs/dbraw/zinc/15/01/82/998150182.db2.gz NUFZARZXVVFOSP-UHFFFAOYSA-N -2 0 354.340 0.849 20 0 FCADRL COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001599143959 998179267 /nfs/dbraw/zinc/17/92/67/998179267.db2.gz NAOWUHKHWINROJ-JTQLQIEISA-N -2 0 351.764 0.758 20 0 FCADRL COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC001599143981 998180390 /nfs/dbraw/zinc/18/03/90/998180390.db2.gz OKIZFCSJWUNYJJ-ZCFIWIBFSA-N -2 0 353.374 0.175 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C[C@H]2CCCOC2)C(=O)[O-])on1 ZINC001598954238 998211417 /nfs/dbraw/zinc/21/14/17/998211417.db2.gz QAXIJQIIPQTCNW-RKDXNWHRSA-N -2 0 362.360 0.009 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)cnc1C ZINC001598955141 998227089 /nfs/dbraw/zinc/22/70/89/998227089.db2.gz DPLHHNDTFUNYSW-UHFFFAOYSA-N -2 0 352.328 0.466 20 0 FCADRL COCCOc1cccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])c1 ZINC001599260575 998378467 /nfs/dbraw/zinc/37/84/67/998378467.db2.gz HEOACHYIVQWFDQ-WDEREUQCSA-N -2 0 359.400 0.881 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCC[C@@H](C)CC(=O)[O-])c1 ZINC001598964230 998387289 /nfs/dbraw/zinc/38/72/89/998387289.db2.gz WIFYFPDLLLLBSM-SECBINFHSA-N -2 0 373.383 0.951 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)c1 ZINC001598964391 998389516 /nfs/dbraw/zinc/38/95/16/998389516.db2.gz XCVFFLSONRTYIU-SCZZXKLOSA-N -2 0 369.351 0.479 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC001598967323 998446686 /nfs/dbraw/zinc/44/66/86/998446686.db2.gz AWPHSWCLVBMGHC-NSHDSACASA-N -2 0 371.367 0.703 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1C=C[C@H](C(=O)[O-])C1 ZINC001598970916 998512608 /nfs/dbraw/zinc/51/26/08/998512608.db2.gz WVHHQEYHFBNZQR-WPRPVWTQSA-N -2 0 369.351 0.479 20 0 FCADRL COCCn1ccc(C(=O)[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)n1 ZINC001599271256 998548995 /nfs/dbraw/zinc/54/89/95/998548995.db2.gz KCKJJDFVCYCYHQ-UHFFFAOYSA-N -2 0 357.344 0.248 20 0 FCADRL COCCn1cnnc1S(=O)(=O)C=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C ZINC001599273971 998583709 /nfs/dbraw/zinc/58/37/09/998583709.db2.gz GOFRXTDLSKJEPS-UHFFFAOYSA-N -2 0 370.387 0.224 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)c(F)c1 ZINC001598990286 998730918 /nfs/dbraw/zinc/73/09/18/998730918.db2.gz CIRPEYKCLGORBC-UHFFFAOYSA-N -2 0 355.303 0.901 20 0 FCADRL COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC001599009423 998884927 /nfs/dbraw/zinc/88/49/27/998884927.db2.gz NBAFOUVIQHPSCC-UHFFFAOYSA-N -2 0 355.303 0.901 20 0 FCADRL COC(=O)c1cncc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])n2)c1 ZINC001599011675 998903888 /nfs/dbraw/zinc/90/38/88/998903888.db2.gz XBCDDJCKBFFZIW-UHFFFAOYSA-N -2 0 351.340 0.691 20 0 FCADRL CO[C@@H](C[C@@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)C(=O)[O-])C1CC1 ZINC001599043118 999131996 /nfs/dbraw/zinc/13/19/96/999131996.db2.gz IJDMISOBGLBSRO-ZJUUUORDSA-N -2 0 363.413 0.993 20 0 FCADRL CO[C@@H](CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)CC(=O)[O-] ZINC001599055846 999229061 /nfs/dbraw/zinc/22/90/61/999229061.db2.gz RTCAKPUFEGPURS-ZCFIWIBFSA-N -2 0 353.299 0.431 20 0 FCADRL CO[C@H](CNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)CC(=O)[O-] ZINC001599056442 999233467 /nfs/dbraw/zinc/23/34/67/999233467.db2.gz XBWAHMNXOZWOJK-ZETCQYMHSA-N -2 0 353.299 0.431 20 0 FCADRL C[C@@H]1CCN(C(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)C[C@H]1C(=O)[O-] ZINC001594395207 999488955 /nfs/dbraw/zinc/48/89/55/999488955.db2.gz ZWTVTDAFJVQQTG-IJLUTSLNSA-N -2 0 352.387 0.269 20 0 FCADRL CO[C@H](CS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000296895933 214368354 /nfs/dbraw/zinc/36/83/54/214368354.db2.gz IWWHRHQFYHGRAJ-HZSPNIEDSA-N -2 0 371.411 0.811 20 0 FCADRL CCOC(=O)c1ccc(CS(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000296913602 214370253 /nfs/dbraw/zinc/37/02/53/214370253.db2.gz KDSASWOVIRRGCN-GFCCVEGCSA-N -2 0 373.383 0.458 20 0 FCADRL CC1(C)CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000296950993 214371074 /nfs/dbraw/zinc/37/10/74/214371074.db2.gz NBYBXPVWNIYWJT-VIFPVBQESA-N -2 0 368.371 0.452 20 0 FCADRL CCOC(=O)c1ccc(F)c(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000285323762 213323363 /nfs/dbraw/zinc/32/33/63/213323363.db2.gz ZXDOEJUYXMXYOR-VIFPVBQESA-N -2 0 363.319 0.209 20 0 FCADRL Cc1cc(Br)ccc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000274951908 211937190 /nfs/dbraw/zinc/93/71/90/211937190.db2.gz STBXFPYGFWIMOL-QMMMGPOBSA-N -2 0 366.189 0.964 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)c[nH]1 ZINC000443407335 248324354 /nfs/dbraw/zinc/32/43/54/248324354.db2.gz HZTNHERDMFACGC-UHFFFAOYSA-N -2 0 364.343 0.283 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC000481968500 250373900 /nfs/dbraw/zinc/37/39/00/250373900.db2.gz ZOTLHZLAEBVPAA-UHFFFAOYSA-N -2 0 352.372 0.186 20 0 FCADRL CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cn1C ZINC000323928913 488904749 /nfs/dbraw/zinc/90/47/49/488904749.db2.gz YGOQRNFBYAADQC-UHFFFAOYSA-N -2 0 351.384 0.813 20 0 FCADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cnn(CC(N)=O)c1 ZINC000325515343 488910262 /nfs/dbraw/zinc/91/02/62/488910262.db2.gz CGKNUJAXMDLXLG-UHFFFAOYSA-N -2 0 372.790 0.829 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cn1 ZINC000327421609 488919712 /nfs/dbraw/zinc/91/97/12/488919712.db2.gz ZVTQPGODXZULOK-UHFFFAOYSA-N -2 0 370.362 0.576 20 0 FCADRL CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(OC)c2)cn1C ZINC000327909373 488921229 /nfs/dbraw/zinc/92/12/29/488921229.db2.gz JRNJLABNTKTQMV-UHFFFAOYSA-N -2 0 367.383 0.892 20 0 FCADRL CC[C@H](C)C(=O)N[N-]S(=O)(=O)c1cc(OC)c(OC)c(C(=O)[O-])c1 ZINC000055617196 488245003 /nfs/dbraw/zinc/24/50/03/488245003.db2.gz HWNCYRSJJPMETF-QMMMGPOBSA-N -2 0 360.388 0.758 20 0 FCADRL COc1cc(S(=O)(=O)[N-]NC(=O)NC(C)C)cc(C(=O)[O-])c1OC ZINC000062930780 488302025 /nfs/dbraw/zinc/30/20/25/488302025.db2.gz BZNQMZKTVVFPTQ-UHFFFAOYSA-N -2 0 361.376 0.303 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1 ZINC000067899361 488357757 /nfs/dbraw/zinc/35/77/57/488357757.db2.gz LYRVWTUTIDOTEO-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL CO[C@@H](CNS(=O)(=O)c1cncc(Br)c1)CC(=O)[O-] ZINC000232107770 488452761 /nfs/dbraw/zinc/45/27/61/488452761.db2.gz FTGAYYQBEIKSRN-MRVPVSSYSA-N -2 0 353.194 0.612 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC000230019822 488452405 /nfs/dbraw/zinc/45/24/05/488452405.db2.gz YPYYNWVYLLFBIW-QMMMGPOBSA-N -2 0 370.152 0.794 20 0 FCADRL COc1ccccc1C[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)C(=O)[O-] ZINC000262172337 488555155 /nfs/dbraw/zinc/55/51/55/488555155.db2.gz QQIVCCANZAUSNZ-NSHDSACASA-N -2 0 361.354 0.168 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000262223124 488558090 /nfs/dbraw/zinc/55/80/90/488558090.db2.gz ZPMQYIKFAWFARS-ZWNOBZJWSA-N -2 0 356.400 0.762 20 0 FCADRL COc1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)cc([N-]S(C)(=O)=O)c1OC ZINC000262937395 488599903 /nfs/dbraw/zinc/59/99/03/488599903.db2.gz YWBMFQLTXJZRFZ-LBPRGKRZSA-N -2 0 374.415 0.914 20 0 FCADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccnn2C)c(OC)c1OC ZINC000263872318 488633140 /nfs/dbraw/zinc/63/31/40/488633140.db2.gz ZYYSRRPYUTUSNZ-UHFFFAOYSA-N -2 0 371.371 0.945 20 0 FCADRL COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc1CC(=O)[O-] ZINC000274350572 488700391 /nfs/dbraw/zinc/70/03/91/488700391.db2.gz KMNZPOQRWZDVFA-JTQLQIEISA-N -2 0 357.384 0.808 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(OCC(F)F)cc1)C(=O)[O-] ZINC000274896067 488741753 /nfs/dbraw/zinc/74/17/53/488741753.db2.gz HACQYQSSPWOGME-SECBINFHSA-N -2 0 353.299 0.537 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccc(OCC(F)F)cc1)C(=O)[O-] ZINC000274896069 488741811 /nfs/dbraw/zinc/74/18/11/488741811.db2.gz HACQYQSSPWOGME-VIFPVBQESA-N -2 0 353.299 0.537 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1Cl ZINC000274918465 488743639 /nfs/dbraw/zinc/74/36/39/488743639.db2.gz MJMMWCSPAKRPSO-SECBINFHSA-N -2 0 365.747 0.333 20 0 FCADRL CC[C@@](C)(CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000274920215 488743851 /nfs/dbraw/zinc/74/38/51/488743851.db2.gz AXTUJNBLFVMLQR-ZDUSSCGKSA-N -2 0 356.360 0.215 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C[C@@H]1C(=O)[O-] ZINC000274951008 488747424 /nfs/dbraw/zinc/74/74/24/488747424.db2.gz AJSYRUMCFYEFCN-MNOVXSKESA-N -2 0 371.367 0.254 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)C[C@@H]1C(=O)[O-] ZINC000274986755 488751069 /nfs/dbraw/zinc/75/10/69/488751069.db2.gz DRQGANNATLFVAC-KGLIPLIRSA-N -2 0 353.396 0.971 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc(OCC(F)F)cc1)C(=O)[O-] ZINC000275028789 488754752 /nfs/dbraw/zinc/75/47/52/488754752.db2.gz TXGDULSXOBXLQE-QMMMGPOBSA-N -2 0 367.326 0.784 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)CCC(=O)OCc1ccccc1)C(=O)[O-] ZINC000275046756 488756440 /nfs/dbraw/zinc/75/64/40/488756440.db2.gz WIPXWDYQYNKHEX-GFCCVEGCSA-N -2 0 373.383 0.215 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)C[C@H]1C(=O)[O-] ZINC000275069294 488758815 /nfs/dbraw/zinc/75/88/15/488758815.db2.gz GTLYJPIZLGSTNR-JGVFFNPUSA-N -2 0 367.301 0.900 20 0 FCADRL COc1cccc(OC)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000275076324 488759077 /nfs/dbraw/zinc/75/90/77/488759077.db2.gz HUSOHWMZDMKYET-VHSXEESVSA-N -2 0 373.383 0.500 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1ccccc1OC(F)F)C(=O)[O-] ZINC000275139746 488765662 /nfs/dbraw/zinc/76/56/62/488765662.db2.gz WOPDJGWSJWAMBH-ZETCQYMHSA-N -2 0 353.299 0.884 20 0 FCADRL C[C@@H]1Cc2cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc(Cl)c2O1 ZINC000275190486 488770542 /nfs/dbraw/zinc/77/05/42/488770542.db2.gz FMBQAHUOJBRXTH-LDWIPMOCSA-N -2 0 363.775 0.870 20 0 FCADRL Cc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c(Br)c1 ZINC000166497777 488811815 /nfs/dbraw/zinc/81/18/15/488811815.db2.gz COQSNYHPQXNGHJ-MRVPVSSYSA-N -2 0 366.189 0.964 20 0 FCADRL Cc1cc2c(cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1)OCO2 ZINC000279904366 488974144 /nfs/dbraw/zinc/97/41/44/488974144.db2.gz CVKYAKAZVQYSQC-UWVGGRQHSA-N -2 0 371.367 0.520 20 0 FCADRL CNS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2c(C)onc2N)s1 ZINC000289262429 489053802 /nfs/dbraw/zinc/05/38/02/489053802.db2.gz CDPJPDRCLBQIJV-UHFFFAOYSA-N -2 0 366.446 0.013 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)Nc2cc3c(c(C(=O)[O-])c2)OCCO3)c[nH]1 ZINC000425971861 489551155 /nfs/dbraw/zinc/55/11/55/489551155.db2.gz STYFYICSFKOJIR-UHFFFAOYSA-N -2 0 368.323 0.983 20 0 FCADRL Cc1cc(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000571049757 491282288 /nfs/dbraw/zinc/28/22/88/491282288.db2.gz LNJCDJCRGVACLA-UHFFFAOYSA-N -2 0 371.357 0.588 20 0 FCADRL O=C([O-])CNC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1 ZINC000463801779 490029115 /nfs/dbraw/zinc/02/91/15/490029115.db2.gz SLWHINTYERDCMU-UHFFFAOYSA-N -2 0 374.325 0.893 20 0 FCADRL CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)C(=O)[O-] ZINC000479187594 490071864 /nfs/dbraw/zinc/07/18/64/490071864.db2.gz OYFIZUYZFJGMMR-SECBINFHSA-N -2 0 350.418 0.078 20 0 FCADRL NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000392005518 490146225 /nfs/dbraw/zinc/14/62/25/490146225.db2.gz BGGVXPTWFFDSBJ-UHFFFAOYSA-N -2 0 374.371 0.972 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)N2CCc3ccccc3C2)C[C@@H]1C(=O)[O-] ZINC000392704463 490153236 /nfs/dbraw/zinc/15/32/36/490153236.db2.gz JMLSYXSLBITJQD-KGLIPLIRSA-N -2 0 368.411 0.397 20 0 FCADRL CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1 ZINC000547568163 490320914 /nfs/dbraw/zinc/32/09/14/490320914.db2.gz FNJGLOPEMNATBS-UHFFFAOYSA-N -2 0 372.399 0.831 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cc1OC ZINC000547595285 490326946 /nfs/dbraw/zinc/32/69/46/490326946.db2.gz KFSHVCOUCYLHJH-OAHLLOKOSA-N -2 0 373.383 0.644 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC000547616383 490331079 /nfs/dbraw/zinc/33/10/79/490331079.db2.gz WRJCDYOHYVKRCV-CQSZACIVSA-N -2 0 359.356 0.317 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccccc1OC(F)F)C(=O)[O-] ZINC000547884473 490376770 /nfs/dbraw/zinc/37/67/70/490376770.db2.gz GZJHPFQJFVIJIP-ZETCQYMHSA-N -2 0 353.299 0.742 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2F)C[C@H]1C(=O)[O-] ZINC000547918962 490385561 /nfs/dbraw/zinc/38/55/61/490385561.db2.gz SLDQPYMRNNPADD-GHMZBOCLSA-N -2 0 363.338 0.902 20 0 FCADRL COCc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1 ZINC000547924464 490388523 /nfs/dbraw/zinc/38/85/23/490388523.db2.gz BULQDKIMZMPCGV-QWHCGFSZSA-N -2 0 357.384 0.629 20 0 FCADRL COCc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1 ZINC000547924465 490388670 /nfs/dbraw/zinc/38/86/70/490388670.db2.gz BULQDKIMZMPCGV-STQMWFEESA-N -2 0 357.384 0.629 20 0 FCADRL COc1cccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)c2c(N)noc2C)c1 ZINC000571675447 491322487 /nfs/dbraw/zinc/32/24/87/491322487.db2.gz HQSOBBWENZNIDZ-NSHDSACASA-N -2 0 355.372 1.068 20 0 FCADRL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1C(N)=O ZINC000499333966 490413538 /nfs/dbraw/zinc/41/35/38/490413538.db2.gz IGNWVOSDZJXRIR-UHFFFAOYSA-N -2 0 358.763 0.969 20 0 FCADRL Cc1[nH]nc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c1C(N)=O ZINC000499341201 490415183 /nfs/dbraw/zinc/41/51/83/490415183.db2.gz IFBQYADNDWYXMH-UHFFFAOYSA-N -2 0 352.372 0.933 20 0 FCADRL Cn1cnc2cc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])ccc21 ZINC000548261329 490452634 /nfs/dbraw/zinc/45/26/34/490452634.db2.gz BDTVZTVGIBSDNF-CQSZACIVSA-N -2 0 355.372 0.417 20 0 FCADRL C[C@](CNS(=O)(=O)N1CC[C@H]2CCCC[C@H]2C1)(CC(=O)[O-])C(=O)[O-] ZINC000548259516 490452809 /nfs/dbraw/zinc/45/28/09/490452809.db2.gz CDACVEQZEIABIP-TYNCELHUSA-N -2 0 362.448 0.899 20 0 FCADRL COC(=O)c1csc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000548267176 490453942 /nfs/dbraw/zinc/45/39/42/490453942.db2.gz WIMWAPYFPLOAHG-LBPRGKRZSA-N -2 0 365.385 0.379 20 0 FCADRL CC[C@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)CC(=O)[O-] ZINC000548268195 490454397 /nfs/dbraw/zinc/45/43/97/490454397.db2.gz ZJGDHMXUEXUEAJ-ZETCQYMHSA-N -2 0 356.360 0.215 20 0 FCADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)C1 ZINC000422683560 490454776 /nfs/dbraw/zinc/45/47/76/490454776.db2.gz CUCUOEANYTWMOQ-RKDXNWHRSA-N -2 0 354.432 0.765 20 0 FCADRL C[C@@](CNS(=O)(=O)CCOCc1ccccc1)(CC(=O)[O-])C(=O)[O-] ZINC000556701321 491328972 /nfs/dbraw/zinc/32/89/72/491328972.db2.gz LLMHZFXKBNEZQD-HNNXBMFYSA-N -2 0 359.400 0.688 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1cnn(-c2ccccc2F)c1)C(=O)[O-] ZINC000548528989 490496369 /nfs/dbraw/zinc/49/63/69/490496369.db2.gz AVYCDTOYGLNHCG-SNVBAGLBSA-N -2 0 357.319 0.218 20 0 FCADRL COCCOc1ccc(F)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000527052247 490695492 /nfs/dbraw/zinc/69/54/92/490695492.db2.gz RYKPMTUDEVQJRS-VIFPVBQESA-N -2 0 365.335 0.057 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c(OC)c1 ZINC000527485178 490728953 /nfs/dbraw/zinc/72/89/53/490728953.db2.gz JBRMALVJTQIHAY-UHFFFAOYSA-N -2 0 369.355 0.714 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c1C(=O)[O-] ZINC000539195658 490768373 /nfs/dbraw/zinc/76/83/73/490768373.db2.gz DVFHXWIOAWIYCV-UHFFFAOYSA-N -2 0 364.383 0.811 20 0 FCADRL Cc1cc2c(cc1S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])OCO2 ZINC000530526274 490910532 /nfs/dbraw/zinc/91/05/32/490910532.db2.gz YHBHCVZTMCLVPH-CQSZACIVSA-N -2 0 359.356 0.568 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cccc(C(=O)NC(N)=O)c2)cc1C(=O)[O-] ZINC000559152999 491456195 /nfs/dbraw/zinc/45/61/95/491456195.db2.gz IHGALOCEFSPSBK-UHFFFAOYSA-N -2 0 366.355 0.333 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)CCC1Cc2ccccc2C1)C(=O)[O-] ZINC000575751291 491558188 /nfs/dbraw/zinc/55/81/88/491558188.db2.gz ADORUEIQALPHSM-AWEZNQCLSA-N -2 0 355.412 0.886 20 0 FCADRL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000568634079 491595859 /nfs/dbraw/zinc/59/58/59/491595859.db2.gz LLOPGLSRKJFLJJ-BYPYZUCNSA-N -3 0 359.253 0.697 20 0 FCADRL CC(=O)c1cccc(NS(=O)(=O)CCCS(=O)(=O)N(C)C)c1O ZINC000581348631 491769356 /nfs/dbraw/zinc/76/93/56/491769356.db2.gz GCBXZXUKBJVYSH-UHFFFAOYSA-N -2 0 364.445 0.618 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c(F)c1 ZINC000581422284 491772079 /nfs/dbraw/zinc/77/20/79/491772079.db2.gz HSDYEDSXJWYMFN-ZJUUUORDSA-N -2 0 361.347 0.630 20 0 FCADRL COC(=O)c1cc(F)ccc1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000614327559 492024738 /nfs/dbraw/zinc/02/47/38/492024738.db2.gz CLIHMSDXCZDSNH-SECBINFHSA-N -2 0 363.319 0.209 20 0 FCADRL CNC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000614825142 492058403 /nfs/dbraw/zinc/05/84/03/492058403.db2.gz GCFLJTRYPHYHEJ-UHFFFAOYSA-N -2 0 367.383 0.892 20 0 FCADRL COC(=O)c1c(C)cccc1S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000618952519 492244539 /nfs/dbraw/zinc/24/45/39/492244539.db2.gz DAIJEMAFASWDRU-SNVBAGLBSA-N -2 0 373.383 0.768 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cccc1-n1cnnn1 ZINC000641951095 492323787 /nfs/dbraw/zinc/32/37/87/492323787.db2.gz FPOCAGXXSKOXKR-UHFFFAOYSA-N -2 0 362.371 0.808 20 0 FCADRL Cc1ncc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCO3)n1C ZINC000629285136 492601353 /nfs/dbraw/zinc/60/13/53/492601353.db2.gz QMQWGGGXAKCUJM-UHFFFAOYSA-N -2 0 353.356 0.999 20 0 FCADRL COCCOc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccnn1C ZINC000629324749 492608490 /nfs/dbraw/zinc/60/84/90/492608490.db2.gz WAWXNVGHAMBLAK-UHFFFAOYSA-N -2 0 355.372 0.944 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCc2ccc(F)cc2)C1 ZINC000656514397 492627943 /nfs/dbraw/zinc/62/79/43/492627943.db2.gz PYPYDZZUXNPANV-OAHLLOKOSA-N -2 0 359.375 0.949 20 0 FCADRL Cc1cc(C(N)=O)cc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])c1 ZINC000656515597 492628008 /nfs/dbraw/zinc/62/80/08/492628008.db2.gz JJYDTOGXITZFAS-LLVKDONJSA-N -2 0 358.372 0.080 20 0 FCADRL COc1ccc(F)cc1S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000650417538 492640137 /nfs/dbraw/zinc/64/01/37/492640137.db2.gz LBUDTTULOGPFSC-AWEZNQCLSA-N -2 0 361.347 0.774 20 0 FCADRL O=C([O-])[C@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)CC1CC1 ZINC000650431152 492642692 /nfs/dbraw/zinc/64/26/92/492642692.db2.gz JENUDJBXYNLNBW-QMMMGPOBSA-N -2 0 368.371 0.215 20 0 FCADRL O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)[C@@]3(C(=O)[O-])CC=CCC3)CC2)C1 ZINC000653309730 493091469 /nfs/dbraw/zinc/09/14/69/493091469.db2.gz KLAXXIAXBJGPQB-KZULUSFZSA-N -2 0 364.398 0.722 20 0 FCADRL Cc1c(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cnn1-c1ccccn1 ZINC000681563016 493187336 /nfs/dbraw/zinc/18/73/36/493187336.db2.gz ITQBUPMXEKLVFQ-SNVBAGLBSA-N -2 0 368.371 0.172 20 0 FCADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cnnn2C)c(OC)c1OC ZINC000682833158 493322188 /nfs/dbraw/zinc/32/21/88/493322188.db2.gz WXTGUTQJAIFRTH-UHFFFAOYSA-N -2 0 372.359 0.340 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccc(CC(F)(F)F)cc1)C(=O)[O-] ZINC000682894890 493325152 /nfs/dbraw/zinc/32/51/52/493325152.db2.gz PDLXHPYRAZTCFY-VIFPVBQESA-N -2 0 355.290 0.998 20 0 FCADRL CCOCCS(=O)(=O)N[C@@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684562211 493419138 /nfs/dbraw/zinc/41/91/38/493419138.db2.gz SPIQUGFXADVXSQ-ZDUSSCGKSA-N -2 0 359.400 0.265 20 0 FCADRL Cc1nc(S(=O)(=O)N[C@H](Cc2ccc(CC(=O)[O-])cc2)C(=O)[O-])c[nH]1 ZINC000684562171 493419198 /nfs/dbraw/zinc/41/91/98/493419198.db2.gz PAEUNDVUIPVRTJ-GFCCVEGCSA-N -2 0 367.383 0.319 20 0 FCADRL COCC[C@@H](C)S(=O)(=O)N[C@@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684561794 493419204 /nfs/dbraw/zinc/41/92/04/493419204.db2.gz MHKCCFAUPVBILI-RISCZKNCSA-N -2 0 373.427 0.654 20 0 FCADRL C[C@@H]1CCN(S(=O)(=O)N[C@H](Cc2ccc(CC(=O)[O-])cc2)C(=O)[O-])C1 ZINC000684561958 493419269 /nfs/dbraw/zinc/41/92/69/493419269.db2.gz QGUHMOBEZVRBAX-BXUZGUMPSA-N -2 0 370.427 0.486 20 0 FCADRL CN1C(=O)COc2cc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)ccc21 ZINC000685002205 493441958 /nfs/dbraw/zinc/44/19/58/493441958.db2.gz ABHBLWBTASXVLG-UHFFFAOYSA-N -2 0 351.340 0.869 20 0 FCADRL CS(=O)(=O)c1nc([N-]C(=O)c2noc(-c3cccc(F)c3)n2)n[n-]1 ZINC000676389857 493548505 /nfs/dbraw/zinc/54/85/05/493548505.db2.gz QZZOASJJHUFTFM-UHFFFAOYSA-N -2 0 352.307 0.650 20 0 FCADRL Cc1n[nH]c(C(=O)NCC(C)(C)CN(C)C(=O)c2n[nH]c(C)c2[O-])c1[O-] ZINC000676700232 493567985 /nfs/dbraw/zinc/56/79/85/493567985.db2.gz IFXSOOFKVLOIMS-UHFFFAOYSA-N -2 0 364.406 0.689 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)cc1C(=O)[O-] ZINC000677185118 493589179 /nfs/dbraw/zinc/58/91/79/493589179.db2.gz DSDWWYCHAXQTIC-UHFFFAOYSA-N -2 0 367.383 0.938 20 0 FCADRL O=C([O-])Cc1ccc(C[C@@H](NS(=O)(=O)c2ccoc2)C(=O)[O-])cc1 ZINC000671645065 493701574 /nfs/dbraw/zinc/70/15/74/493701574.db2.gz QAWJLZXTFKFGPZ-CYBMUJFWSA-N -2 0 353.352 0.881 20 0 FCADRL CCC[C@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1)c1nnn[n-]1 ZINC000818156990 596980801 /nfs/dbraw/zinc/98/08/01/596980801.db2.gz HPQYYRHLZFMDFU-AAEUAGOBSA-N -2 0 357.374 0.877 20 0 FCADRL O=C([O-])CSCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000740486922 597106160 /nfs/dbraw/zinc/10/61/60/597106160.db2.gz SKPMGAQTZHFUDK-UHFFFAOYSA-N -2 0 361.397 0.471 20 0 FCADRL O=C([O-])CSCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnco2)c1 ZINC000821537206 597349783 /nfs/dbraw/zinc/34/97/83/597349783.db2.gz OLIWKAYWQDPJNC-UHFFFAOYSA-N -2 0 357.369 0.359 20 0 FCADRL O=C([O-])CSCC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000821537896 597350075 /nfs/dbraw/zinc/35/00/75/597350075.db2.gz WIQHISFOEXSTSR-UHFFFAOYSA-N -2 0 358.319 0.723 20 0 FCADRL COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N(C)[C@@H](C)C(=O)[O-])cc2)[n-]1 ZINC000818506861 597463698 /nfs/dbraw/zinc/46/36/98/597463698.db2.gz OTJYAZWHHBHHLD-JTQLQIEISA-N -2 0 361.354 0.426 20 0 FCADRL O=C([O-])CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000739819848 599736953 /nfs/dbraw/zinc/73/69/53/599736953.db2.gz IMHDJYUGSVQJIU-UHFFFAOYSA-N -3 0 368.323 0.593 20 0 FCADRL CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1S(N)(=O)=O ZINC000737264452 599738522 /nfs/dbraw/zinc/73/85/22/599738522.db2.gz BYJGBPINZXYFBF-UHFFFAOYSA-N -2 0 374.396 0.988 20 0 FCADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1 ZINC000737985346 599738940 /nfs/dbraw/zinc/73/89/40/599738940.db2.gz VOKSHDQNWWURKS-UHFFFAOYSA-N -3 0 369.355 0.404 20 0 FCADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1 ZINC000738464054 599739282 /nfs/dbraw/zinc/73/92/82/599739282.db2.gz YXYDEDKDIVSMTI-UHFFFAOYSA-N -3 0 355.328 0.481 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1 ZINC000737948228 599740310 /nfs/dbraw/zinc/74/03/10/599740310.db2.gz NWNMBVNVFFDXBY-UHFFFAOYSA-N -3 0 355.328 0.475 20 0 FCADRL COc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000737946480 599799213 /nfs/dbraw/zinc/79/92/13/599799213.db2.gz AZDYFROTQHCDFV-LLVKDONJSA-N -2 0 370.427 0.956 20 0 FCADRL COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000737630715 599912658 /nfs/dbraw/zinc/91/26/58/599912658.db2.gz GHCJPIUUPQAJRA-UHFFFAOYSA-N -2 0 358.372 0.668 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000261747534 599988696 /nfs/dbraw/zinc/98/86/96/599988696.db2.gz HBNYQLUILXOSEK-JTQLQIEISA-N -2 0 369.399 0.563 20 0 FCADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)n1 ZINC000323967880 600051504 /nfs/dbraw/zinc/05/15/04/600051504.db2.gz UYWYFRHWMFTRBB-UHFFFAOYSA-N -2 0 369.380 0.902 20 0 FCADRL CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n1 ZINC000737350065 600098861 /nfs/dbraw/zinc/09/88/61/600098861.db2.gz QTCRMGMBJUUQHR-UHFFFAOYSA-N -2 0 370.362 0.609 20 0 FCADRL CC(C)CCO[C@H](C)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000736431899 600129691 /nfs/dbraw/zinc/12/96/91/600129691.db2.gz IXDPKALJWIANPV-LLVKDONJSA-N -2 0 350.437 0.595 20 0 FCADRL O=C([O-])C[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc(F)cc1 ZINC000738567405 600151914 /nfs/dbraw/zinc/15/19/14/600151914.db2.gz XIXAAIGXDFMNIA-GFCCVEGCSA-N -2 0 359.317 0.543 20 0 FCADRL Cc1ccc([C@H](CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C(=O)[O-])cc1 ZINC000738562489 600161270 /nfs/dbraw/zinc/16/12/70/600161270.db2.gz WQXMHMWMLHKQAP-LBPRGKRZSA-N -2 0 355.354 0.364 20 0 FCADRL CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000736134113 600162822 /nfs/dbraw/zinc/16/28/22/600162822.db2.gz FMNJJYNXEANSPP-LBPRGKRZSA-N -2 0 354.384 0.448 20 0 FCADRL Cn1nnc2cc(C(=O)[N-]S(=O)(=O)Cc3ccc(C(=O)[O-])cc3)ccc21 ZINC000739062183 600163310 /nfs/dbraw/zinc/16/33/10/600163310.db2.gz IRFCRSSMXWRUBD-UHFFFAOYSA-N -2 0 374.378 0.926 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c(C(=O)[O-])[nH]1 ZINC000738463806 600176741 /nfs/dbraw/zinc/17/67/41/600176741.db2.gz NYEAXYOQSOKRBX-UHFFFAOYSA-N -2 0 359.385 0.470 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)nc2)c1C(=O)[O-] ZINC000738337101 600232120 /nfs/dbraw/zinc/23/21/20/600232120.db2.gz GPFHJADAESLYEW-UHFFFAOYSA-N -2 0 360.373 0.016 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cnn(Cc3ccncc3)c2)c1C(=O)[O-] ZINC000738827761 600235377 /nfs/dbraw/zinc/23/53/77/600235377.db2.gz PUWUKUKZGKDOFW-UHFFFAOYSA-N -2 0 362.371 0.857 20 0 FCADRL Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cn12 ZINC000738936749 600242994 /nfs/dbraw/zinc/24/29/94/600242994.db2.gz NUHXWVYODIKRMV-UHFFFAOYSA-N -2 0 360.351 0.855 20 0 FCADRL COC[C@H](C)S(=O)(=O)[N-]C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000737746834 600243364 /nfs/dbraw/zinc/24/33/64/600243364.db2.gz LECLFFMSHZYSDW-JTQLQIEISA-N -2 0 354.384 0.820 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])s2)cc1C(N)=O ZINC000738652654 600440665 /nfs/dbraw/zinc/44/06/65/600440665.db2.gz QNKQKGJKBXZHPM-UHFFFAOYSA-N -2 0 368.392 0.972 20 0 FCADRL COC(=O)c1ccc(CCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1 ZINC000737698116 600460339 /nfs/dbraw/zinc/46/03/39/600460339.db2.gz YCHSTWQOJKGXRN-UHFFFAOYSA-N -2 0 357.384 0.717 20 0 FCADRL Cn1cc(-c2ncc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])s2)cn1 ZINC000739016167 600460850 /nfs/dbraw/zinc/46/08/50/600460850.db2.gz YSCGWFPCWSEWBQ-UHFFFAOYSA-N -2 0 358.401 0.468 20 0 FCADRL CC(=O)N[C@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1cccs1 ZINC000736146068 600461199 /nfs/dbraw/zinc/46/11/99/600461199.db2.gz GWOINEBHJXLFTG-SNVBAGLBSA-N -2 0 362.429 0.626 20 0 FCADRL CC(=O)N[C@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccc(C)cc1 ZINC000736147807 600462159 /nfs/dbraw/zinc/46/21/59/600462159.db2.gz YKQMJYSFUWPMEL-CQSZACIVSA-N -2 0 370.427 0.873 20 0 FCADRL C[C@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])NC(=O)C1CCCCC1 ZINC000736549041 600463060 /nfs/dbraw/zinc/46/30/60/600463060.db2.gz RDKOUNWFYUKZRF-LLVKDONJSA-N -2 0 362.448 0.772 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)C1CCN(C(=O)c2ccoc2)CC1 ZINC000739695794 600464744 /nfs/dbraw/zinc/46/47/44/600464744.db2.gz PLOXMWAVVMPKOA-UHFFFAOYSA-N -2 0 372.399 0.443 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000739696159 600511458 /nfs/dbraw/zinc/51/14/58/600511458.db2.gz HIJBQBKHGIPFQL-UHFFFAOYSA-N -2 0 356.335 0.331 20 0 FCADRL O=C([O-])[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000739549119 600518890 /nfs/dbraw/zinc/51/88/90/600518890.db2.gz RXXUSGAJQURCKX-ZJUUUORDSA-N -2 0 353.331 0.537 20 0 FCADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC000737985285 600529668 /nfs/dbraw/zinc/52/96/68/600529668.db2.gz UERCFUHFNHYBJH-UHFFFAOYSA-N -3 0 369.355 0.404 20 0 FCADRL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1 ZINC000737360218 600529749 /nfs/dbraw/zinc/52/97/49/600529749.db2.gz GSYYLOCXVLUMJE-UHFFFAOYSA-N -2 0 352.372 0.470 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)ccc1OCC(=O)[O-] ZINC000738478417 600529791 /nfs/dbraw/zinc/52/97/91/600529791.db2.gz PECWSYKWVHLJRF-UHFFFAOYSA-N -3 0 369.355 0.540 20 0 FCADRL CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cnn(CC(=O)[O-])c3)ccc21 ZINC000392239867 600530929 /nfs/dbraw/zinc/53/09/29/600530929.db2.gz ZSXDSBSACJAPCS-UHFFFAOYSA-N -2 0 364.383 0.678 20 0 FCADRL CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1 ZINC000736152542 600530986 /nfs/dbraw/zinc/53/09/86/600530986.db2.gz NVPAQOBCIOEBLP-UHFFFAOYSA-N -2 0 366.399 0.447 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]NC(=O)c2ccccc2O)cc1C(=O)[O-] ZINC000055556814 600541454 /nfs/dbraw/zinc/54/14/54/600541454.db2.gz VGAMDMISCUULMU-UHFFFAOYSA-N -2 0 366.351 0.722 20 0 FCADRL CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cc1 ZINC000324761025 600576041 /nfs/dbraw/zinc/57/60/41/600576041.db2.gz YMLFTFVFIHJJKP-UHFFFAOYSA-N -2 0 371.396 0.489 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cccc(N2CCCC2=O)c1 ZINC000739691560 674487924 /nfs/dbraw/zinc/48/79/24/674487924.db2.gz IVQPXZHZYFWQPC-UHFFFAOYSA-N -2 0 354.384 0.738 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000739695092 674488074 /nfs/dbraw/zinc/48/80/74/674488074.db2.gz DKHGTJPAVMDOLW-NSHDSACASA-N -2 0 360.432 0.478 20 0 FCADRL COCC(=O)Nc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000326876938 600672891 /nfs/dbraw/zinc/67/28/91/600672891.db2.gz FQEFDSSLCIUULJ-UHFFFAOYSA-N -2 0 368.371 0.353 20 0 FCADRL CCOc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1CO ZINC000324229844 600673286 /nfs/dbraw/zinc/67/32/86/600673286.db2.gz UUTFDRYUQMFIGC-UHFFFAOYSA-N -2 0 355.372 0.660 20 0 FCADRL COc1ccc(NC(C)=O)c([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000738038262 600673941 /nfs/dbraw/zinc/67/39/41/600673941.db2.gz CZVAEFMZHGMYBF-UHFFFAOYSA-N -2 0 368.371 0.736 20 0 FCADRL CN(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000327005450 600675743 /nfs/dbraw/zinc/67/57/43/600675743.db2.gz PTVSHYXHSXUEQQ-UHFFFAOYSA-N -2 0 366.399 0.399 20 0 FCADRL CS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000832676501 600679041 /nfs/dbraw/zinc/67/90/41/600679041.db2.gz SYLFATJSNCGKOX-UHFFFAOYSA-N -2 0 373.412 0.313 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cnn(Cc3ccccn3)c2)cn1 ZINC000833274023 600679388 /nfs/dbraw/zinc/67/93/88/600679388.db2.gz MIQAEDOFGOPTGI-UHFFFAOYSA-N -2 0 362.371 0.408 20 0 FCADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000832186037 600686742 /nfs/dbraw/zinc/68/67/42/600686742.db2.gz BQHDXCQFMGYBQM-UHFFFAOYSA-N -3 0 355.328 0.475 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccc(Cn3cncn3)c2)cn1 ZINC000327382217 600715375 /nfs/dbraw/zinc/71/53/75/600715375.db2.gz OZXSZFBNRIKXAD-UHFFFAOYSA-N -2 0 362.371 0.408 20 0 FCADRL COc1cc(C(=O)NC(C)(C)C(=O)[O-])cc([N-]S(C)(=O)=O)c1OC ZINC000831871234 600860502 /nfs/dbraw/zinc/86/05/02/600860502.db2.gz HIRVDEMFMDXIDI-UHFFFAOYSA-N -2 0 360.388 0.668 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC000739158118 600894916 /nfs/dbraw/zinc/89/49/16/600894916.db2.gz ROIXLUQWSPYFCQ-UHFFFAOYSA-N -2 0 372.790 0.911 20 0 FCADRL CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC000830556935 600983526 /nfs/dbraw/zinc/98/35/26/600983526.db2.gz LJADMVZJRWUFDK-UHFFFAOYSA-N -2 0 371.350 0.004 20 0 FCADRL CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])n1 ZINC000831000733 600984291 /nfs/dbraw/zinc/98/42/91/600984291.db2.gz LXBXKEDXWPUHNG-UHFFFAOYSA-N -2 0 373.778 0.177 20 0 FCADRL CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)s1 ZINC000825853643 600986315 /nfs/dbraw/zinc/98/63/15/600986315.db2.gz DBICXCTUDLUQMC-ZETCQYMHSA-N -2 0 373.416 0.422 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c2cccnc12 ZINC000832468924 600986788 /nfs/dbraw/zinc/98/67/88/600986788.db2.gz UBQANWILLDFMPX-UHFFFAOYSA-N -2 0 363.355 0.720 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)cn1 ZINC000831000321 601202698 /nfs/dbraw/zinc/20/26/98/601202698.db2.gz CBIQGZWNOILDDA-UHFFFAOYSA-N -2 0 374.400 0.198 20 0 FCADRL Cc1oc(S(=O)(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)cc1C(=O)[O-] ZINC000832857804 601230528 /nfs/dbraw/zinc/23/05/28/601230528.db2.gz AGYMIMIVFBCLET-UHFFFAOYSA-N -2 0 353.316 0.126 20 0 FCADRL COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1 ZINC000831123694 601361578 /nfs/dbraw/zinc/36/15/78/601361578.db2.gz BGHXHXYAKAZPJA-DAXSKMNVSA-N -2 0 366.355 0.350 20 0 FCADRL O=C([O-])CCN(Cc1ccncc1)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000833233563 601511576 /nfs/dbraw/zinc/51/15/76/601511576.db2.gz BQFTWLAKFVHBKP-UHFFFAOYSA-N -2 0 369.337 0.948 20 0 FCADRL CC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000828677043 601520192 /nfs/dbraw/zinc/52/01/92/601520192.db2.gz IPCUGRJEGBSQMH-ZDUSSCGKSA-N -2 0 356.360 0.358 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)n(-c2ncccn2)n1 ZINC000832899455 601770133 /nfs/dbraw/zinc/77/01/33/601770133.db2.gz LGRORXUSWYKTDM-UHFFFAOYSA-N -2 0 363.359 0.053 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)cc1C(=O)[O-] ZINC000833053148 601986177 /nfs/dbraw/zinc/98/61/77/601986177.db2.gz RWBUDRGAEKLJOP-UHFFFAOYSA-N -2 0 370.408 0.854 20 0 FCADRL O=C([O-])c1ccncc1OS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000833335015 601996895 /nfs/dbraw/zinc/99/68/95/601996895.db2.gz UOYGEIBFJWNBGB-UHFFFAOYSA-N -2 0 364.295 0.297 20 0 FCADRL Cc1ccnc(-n2nccc2[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000832983075 602157764 /nfs/dbraw/zinc/15/77/64/602157764.db2.gz GWRRUNGPJHCAKU-UHFFFAOYSA-N -2 0 362.371 0.658 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c(-c2ccccn2)n1 ZINC000833052793 602307654 /nfs/dbraw/zinc/30/76/54/602307654.db2.gz JBWXMZOSMAKNAZ-UHFFFAOYSA-N -2 0 362.371 0.564 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1C(N)=O ZINC000832654659 602319967 /nfs/dbraw/zinc/31/99/67/602319967.db2.gz SVJHSOYLTSQJCF-UHFFFAOYSA-N -2 0 357.369 0.750 20 0 FCADRL O=C([O-])NCCCC(=O)[N-]S(=O)(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000739956295 603074438 /nfs/dbraw/zinc/07/44/38/603074438.db2.gz FLPFJDZRBQNECF-UHFFFAOYSA-N -2 0 370.362 0.864 20 0 FCADRL CC(C)[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000736376331 604376320 /nfs/dbraw/zinc/37/63/20/604376320.db2.gz TXWPVWWBUWSVCV-LBPRGKRZSA-N -2 0 371.415 0.486 20 0 FCADRL Cc1cncc(/C=C\C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000832986972 604665790 /nfs/dbraw/zinc/66/57/90/604665790.db2.gz SDXNJFFAQUJJDA-IHWYPQMZSA-N -2 0 353.400 0.561 20 0 FCADRL O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC000833173188 604708735 /nfs/dbraw/zinc/70/87/35/604708735.db2.gz OEWZMFUXUWNWIE-LLVKDONJSA-N -2 0 365.777 0.747 20 0 FCADRL O=C([O-])[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000833101320 604733910 /nfs/dbraw/zinc/73/39/10/604733910.db2.gz PROAHMKJAVTIKU-NWDGAFQWSA-N -2 0 355.368 0.287 20 0 FCADRL COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833723414 604880198 /nfs/dbraw/zinc/88/01/98/604880198.db2.gz CPNMBCOJSKAOQM-UHFFFAOYSA-N -2 0 351.764 0.760 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000833715694 604882945 /nfs/dbraw/zinc/88/29/45/604882945.db2.gz WJVQUWMUWXORRF-LLVKDONJSA-N -2 0 359.356 0.559 20 0 FCADRL CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833737913 604899906 /nfs/dbraw/zinc/89/99/06/604899906.db2.gz NMKDFXRJGGCYTI-CYBMUJFWSA-N -2 0 356.400 0.356 20 0 FCADRL COC(=O)c1cc(NC(=O)C(=O)[N-]OCc2cccnc2)ccc1C(=O)[O-] ZINC000833712625 604912804 /nfs/dbraw/zinc/91/28/04/604912804.db2.gz GIGZVDCVIOBHGL-UHFFFAOYSA-N -2 0 373.321 0.753 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nn[nH]n1 ZINC000822540423 606709517 /nfs/dbraw/zinc/70/95/17/606709517.db2.gz ATINFVFELPOXLX-UHFFFAOYSA-N -2 0 353.320 0.001 20 0 FCADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)c1 ZINC000906810601 666068961 /nfs/dbraw/zinc/06/89/61/666068961.db2.gz UKXDXJOWCAVOSY-UHFFFAOYSA-N -2 0 368.333 0.959 20 0 FCADRL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1c(C)n(C)nc1C(=O)[O-] ZINC000912559317 666458620 /nfs/dbraw/zinc/45/86/20/666458620.db2.gz YTXVVEXYRFFLRD-UHFFFAOYSA-N -2 0 357.348 0.046 20 0 FCADRL CC[C@@H](NS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1)C(=O)[O-] ZINC000914746332 666795042 /nfs/dbraw/zinc/79/50/42/666795042.db2.gz QRVLRZXANSMRAN-BXKDBHETSA-N -2 0 370.383 0.266 20 0 FCADRL CC[C@H](C)[C@H](NS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2)C(=O)[O-] ZINC000919954637 667208875 /nfs/dbraw/zinc/20/88/75/667208875.db2.gz OXYINNCXJXKXCH-UFBFGSQYSA-N -2 0 373.383 0.934 20 0 FCADRL C[C@H](CN(C)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1nnn[n-]1 ZINC000758798406 667784790 /nfs/dbraw/zinc/78/47/90/667784790.db2.gz WKQJVPHJFIHONW-MRVPVSSYSA-N -2 0 359.415 0.611 20 0 FCADRL CNC(=O)CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1 ZINC000738014647 667897892 /nfs/dbraw/zinc/89/78/92/667897892.db2.gz RONONRQOCCQJOH-UHFFFAOYSA-N -2 0 368.371 0.424 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)ccc1OCC(=O)[O-] ZINC000788130998 667975492 /nfs/dbraw/zinc/97/54/92/667975492.db2.gz LNDYSTXWDUEGSR-UHFFFAOYSA-N -3 0 369.355 0.691 20 0 FCADRL O=C([N-]Cc1cocn1)C(F)(F)C(F)(F)C(=O)[N-]Cc1cocn1 ZINC000742650571 668039605 /nfs/dbraw/zinc/03/96/05/668039605.db2.gz UQDXYFAKWGRZRJ-UHFFFAOYSA-N -2 0 350.228 0.866 20 0 FCADRL O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)[N-]O[C@H]1CCCCO1 ZINC000773895743 668110927 /nfs/dbraw/zinc/11/09/27/668110927.db2.gz WMUIYLPMFQMYJI-LBPRGKRZSA-N -2 0 350.343 0.818 20 0 FCADRL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000774622742 668163046 /nfs/dbraw/zinc/16/30/46/668163046.db2.gz ULGFKKYJPQXLNB-UHFFFAOYSA-N -2 0 374.762 0.754 20 0 FCADRL O=C(OCc1n[nH]c(=O)[n-]1)c1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)s1 ZINC000774906960 668182256 /nfs/dbraw/zinc/18/22/56/668182256.db2.gz GMPQNCREWQPGLM-UHFFFAOYSA-N -2 0 366.315 0.110 20 0 FCADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)n1 ZINC000776426907 668260796 /nfs/dbraw/zinc/26/07/96/668260796.db2.gz KZAKWTYRWBXDJP-UHFFFAOYSA-N -3 0 369.355 0.555 20 0 FCADRL Cn1nc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1C(=O)[O-] ZINC000776427501 668260798 /nfs/dbraw/zinc/26/07/98/668260798.db2.gz PRRVAFRIOPXDGY-UHFFFAOYSA-N -2 0 352.328 0.250 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])ccc1F ZINC000776437494 668261913 /nfs/dbraw/zinc/26/19/13/668261913.db2.gz KLZOFBWIDWWHEN-SNVBAGLBSA-N -2 0 363.319 0.209 20 0 FCADRL C[C@@](CNS(=O)(=O)c1ccc2oc(=O)ccc2c1)(CC(=O)[O-])C(=O)[O-] ZINC000776585226 668274751 /nfs/dbraw/zinc/27/47/51/668274751.db2.gz UYOARVMOZQWBHC-HNNXBMFYSA-N -2 0 369.351 0.637 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccc(N2CCOC2=O)cc1)C(=O)[O-] ZINC000776634271 668280719 /nfs/dbraw/zinc/28/07/19/668280719.db2.gz IZEHCIUAODIQJC-SECBINFHSA-N -2 0 372.355 0.097 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1cccc(-c2nnco2)c1)C(=O)[O-] ZINC000776634302 668280792 /nfs/dbraw/zinc/28/07/92/668280792.db2.gz JXAHIJRMKGKJSM-SECBINFHSA-N -2 0 355.328 0.190 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cn1 ZINC000793363716 668925923 /nfs/dbraw/zinc/92/59/23/668925923.db2.gz OEHLINPOTNFGEE-UHFFFAOYSA-N -2 0 370.362 0.576 20 0 FCADRL Cn1cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(C(F)(F)F)n1 ZINC000828790927 669670213 /nfs/dbraw/zinc/67/02/13/669670213.db2.gz MJWJDLDCEVYWQL-YFKPBYRVSA-N -2 0 359.282 0.035 20 0 FCADRL O=C([O-])c1cn(CC(=O)[N-]S(=O)(=O)Cc2ccon2)c2ccccc12 ZINC000833120148 669931404 /nfs/dbraw/zinc/93/14/04/669931404.db2.gz QCQPNKPONRCQCZ-UHFFFAOYSA-N -2 0 363.351 0.974 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)c1ccco1 ZINC000849232944 671324214 /nfs/dbraw/zinc/32/42/14/671324214.db2.gz UPMLLVCNZZNONR-APPZFPTMSA-N -2 0 370.305 0.564 20 0 FCADRL Cc1cc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n(C)n1 ZINC000851703944 671462127 /nfs/dbraw/zinc/46/21/27/671462127.db2.gz RLQMWDAMOIGIQY-WCBMZHEXSA-N -2 0 362.308 0.465 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cc1cscn1 ZINC000852958731 671533949 /nfs/dbraw/zinc/53/39/49/671533949.db2.gz RHYYLZBZSVHBTD-WCBMZHEXSA-N -2 0 365.333 0.808 20 0 FCADRL COC(=O)C(C)(C)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cn1 ZINC000853039700 671535562 /nfs/dbraw/zinc/53/55/62/671535562.db2.gz NHMGQEUCHHIWFI-UHFFFAOYSA-N -2 0 370.387 0.629 20 0 FCADRL COC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1C ZINC000863407573 672121845 /nfs/dbraw/zinc/12/18/45/672121845.db2.gz DGZZGDJIMSEEAU-UHFFFAOYSA-N -2 0 360.344 0.333 20 0 FCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC=CC1 ZINC000863955538 672165578 /nfs/dbraw/zinc/16/55/78/672165578.db2.gz PCJQLMOWEAJBEO-UHFFFAOYSA-N -2 0 364.379 0.198 20 0 FCADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC=CC1 ZINC000863955908 672165824 /nfs/dbraw/zinc/16/58/24/672165824.db2.gz DEKCNAAQSAGWMA-UHFFFAOYSA-N -2 0 355.416 0.771 20 0 FCADRL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])CC2(C)C)cc1 ZINC000863957687 672166520 /nfs/dbraw/zinc/16/65/20/672166520.db2.gz DRHAAISNNOQXQV-INIZCTEOSA-N -2 0 368.411 0.694 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000863958481 672167184 /nfs/dbraw/zinc/16/71/84/672167184.db2.gz ZWLZLUJPTJRHAD-GFCCVEGCSA-N -2 0 356.400 0.550 20 0 FCADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000863959349 672167447 /nfs/dbraw/zinc/16/74/47/672167447.db2.gz AZGNVUPVNWCIAT-VIFPVBQESA-N -2 0 353.347 0.700 20 0 FCADRL COCc1cccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)c1 ZINC000863960712 672168086 /nfs/dbraw/zinc/16/80/86/672168086.db2.gz ACCMAUCUVUEYFY-QWHCGFSZSA-N -2 0 357.384 0.411 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])c(Br)n1C ZINC000863961471 672168675 /nfs/dbraw/zinc/16/86/75/672168675.db2.gz MHCCIFBKLHVEBS-UHFFFAOYSA-N -2 0 354.182 0.161 20 0 FCADRL O=C([O-])COc1cccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)c1 ZINC000863962207 672168883 /nfs/dbraw/zinc/16/88/83/672168883.db2.gz WDFUJULIPRLURV-NSHDSACASA-N -2 0 357.384 0.636 20 0 FCADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1)C1CCCC1 ZINC000863961818 672168938 /nfs/dbraw/zinc/16/89/38/672168938.db2.gz RMXIYDLXFXBFIC-LBPRGKRZSA-N -2 0 352.372 0.654 20 0 FCADRL O=C([O-])COc1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)cc1 ZINC000863962192 672168951 /nfs/dbraw/zinc/16/89/51/672168951.db2.gz VXAZQMBMTAOQCB-NSHDSACASA-N -2 0 357.384 0.636 20 0 FCADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000863963049 672169575 /nfs/dbraw/zinc/16/95/75/672169575.db2.gz HSFPBYJAOOCYJP-UHFFFAOYSA-N -2 0 353.360 0.112 20 0 FCADRL O=C([O-])CSCC(=O)[N-]S(=O)(=O)c1ccccc1NC(=O)C1CC1 ZINC000863963822 672170154 /nfs/dbraw/zinc/17/01/54/672170154.db2.gz HXZIZIMRDUZUPC-UHFFFAOYSA-N -2 0 372.424 0.658 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])CC2(C)C)c(C(F)(F)F)n1 ZINC000863964471 672170459 /nfs/dbraw/zinc/17/04/59/672170459.db2.gz VIDBWDDWEQSLOC-NSHDSACASA-N -2 0 369.321 0.745 20 0 FCADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000863964635 672170505 /nfs/dbraw/zinc/17/05/05/672170505.db2.gz YKWZJMVODIZRQN-LKFCYVNXSA-N -2 0 357.388 0.150 20 0 FCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)Cc2cccc3c2OCCO3)CCC1 ZINC000863964469 672170539 /nfs/dbraw/zinc/17/05/39/672170539.db2.gz VGMBBKFQAWDNCC-UHFFFAOYSA-N -2 0 355.368 0.659 20 0 FCADRL COc1ccc(OCCCS(=O)(=O)[N-]C(=O)COCC(=O)[O-])cc1 ZINC000863965385 672171087 /nfs/dbraw/zinc/17/10/87/672171087.db2.gz IGPDUBLJGXIOFS-UHFFFAOYSA-N -2 0 361.372 0.011 20 0 FCADRL COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000326971163 1167725903 /nfs/dbraw/zinc/72/59/03/1167725903.db2.gz GWRHIUPBHCBNKF-UHFFFAOYSA-N -2 0 366.351 0.999 20 0 FCADRL Cc1cc(C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000552371612 1193927221 /nfs/dbraw/zinc/92/72/21/1193927221.db2.gz MPTIAMGLYIVGDQ-KOLCDFICSA-N -2 0 364.402 0.632 20 0 FCADRL CCCNC(=O)CNC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000043783045 1195781939 /nfs/dbraw/zinc/78/19/39/1195781939.db2.gz LNLKCCFNTXNXRP-UHFFFAOYSA-N -2 0 360.374 0.048 20 0 FCADRL C[C@@H]1[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088978492 1196854391 /nfs/dbraw/zinc/85/43/91/1196854391.db2.gz QWXBUOKOWLZBFP-SFYZADRCSA-N -2 0 359.346 0.145 20 0 FCADRL COC(=O)c1ccc(OC)cc1COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001223009341 1225672753 /nfs/dbraw/zinc/67/27/53/1225672753.db2.gz TUHCCNGJTIVXFJ-YPMHNXCESA-N -2 0 370.310 0.061 20 0 FCADRL COC(=O)c1cc(OC)ccc1COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001223697611 1225727106 /nfs/dbraw/zinc/72/71/06/1225727106.db2.gz YYZFSJPMWZGMSP-WCQYABFASA-N -2 0 370.310 0.061 20 0 FCADRL COc1cc(OC)c(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(OC)c1 ZINC001223897514 1225744155 /nfs/dbraw/zinc/74/41/55/1225744155.db2.gz PFOCNZPNSVXGSU-OTYXRUKQSA-N -2 0 372.326 0.292 20 0 FCADRL COC(=O)c1ccc(OC)c(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001223970812 1225749074 /nfs/dbraw/zinc/74/90/74/1225749074.db2.gz VYCSBOAWQUYFHE-ZWNOBZJWSA-N -2 0 370.310 0.061 20 0 FCADRL O=C([O-])C[C@H](C(=O)OCc1ccccc1N1CCOCC1)[C@H](O)C(=O)[O-] ZINC001224250082 1225767965 /nfs/dbraw/zinc/76/79/65/1225767965.db2.gz RKVGBNDUWHEALB-WFASDCNBSA-N -2 0 367.354 0.103 20 0 FCADRL O=C([O-])C[C@H](C(=O)OCc1ccccc1N1CCOCC1)[C@@H](O)C(=O)[O-] ZINC001224250080 1225767983 /nfs/dbraw/zinc/76/79/83/1225767983.db2.gz RKVGBNDUWHEALB-SWLSCSKDSA-N -2 0 367.354 0.103 20 0 FCADRL CCN(CC)C(=O)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225319905 1225806963 /nfs/dbraw/zinc/80/69/63/1225806963.db2.gz VHLLKAHFIMLGEY-RISCZKNCSA-N -2 0 367.354 0.610 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc(=O)[nH]c(-c2ccccc2)n1)[C@@H](O)C(=O)[O-] ZINC001226184647 1225834941 /nfs/dbraw/zinc/83/49/41/1225834941.db2.gz IHNOTQDBECQFQA-TVQRCGJNSA-N -2 0 362.294 0.291 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(=O)[nH]c(-c2ccccc2)n1)[C@H](O)C(=O)[O-] ZINC001226184646 1225835192 /nfs/dbraw/zinc/83/51/92/1225835192.db2.gz IHNOTQDBECQFQA-RNCFNFMXSA-N -2 0 362.294 0.291 20 0 FCADRL Cc1c(C)c2ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc2oc1=O ZINC001226475384 1225844948 /nfs/dbraw/zinc/84/49/48/1225844948.db2.gz KXTXJCJEBKOXRG-RISCZKNCSA-N -2 0 364.306 0.852 20 0 FCADRL Cc1cc(=O)oc2cc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc12 ZINC001226532571 1225846220 /nfs/dbraw/zinc/84/62/20/1225846220.db2.gz TVWRJOXCZGQUKV-XLKFXECMSA-N -3 0 366.278 0.249 20 0 FCADRL CC(=O)Nc1ccc(C(C)=O)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001227183343 1225865412 /nfs/dbraw/zinc/86/54/12/1225865412.db2.gz QLNBYAWKVJDNQK-SMDDNHRTSA-N -2 0 367.310 0.289 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc2c3c1CCCN3CCC2)[C@@H](O)C(=O)[O-] ZINC001228426467 1225923376 /nfs/dbraw/zinc/92/33/76/1225923376.db2.gz LNINYKGCLRGWAJ-MLGOLLRUSA-N -2 0 363.366 0.827 20 0 FCADRL CCOC(=O)CCc1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001229519565 1226015861 /nfs/dbraw/zinc/01/58/61/1226015861.db2.gz GMMGPYQTMVPDFO-WFASDCNBSA-N -2 0 368.338 0.624 20 0 FCADRL COc1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(C(C)=O)cc1OC ZINC001229497771 1226014795 /nfs/dbraw/zinc/01/47/95/1226014795.db2.gz HCYCORHQNWSUON-OTYXRUKQSA-N -2 0 370.310 0.348 20 0 FCADRL COC(=O)C[C@H](C)c1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001231009231 1226094055 /nfs/dbraw/zinc/09/40/55/1226094055.db2.gz DDXGBXPQKYWLOI-FMSQNYNMSA-N -2 0 368.338 0.795 20 0 FCADRL COC(=O)/C=C/c1ccc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001231330374 1226103420 /nfs/dbraw/zinc/10/34/20/1226103420.db2.gz MRSVAQMXZHKTRB-BKGUHNETSA-N -2 0 368.294 0.020 20 0 FCADRL COc1cc2[nH]nc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2cc1OC ZINC001233619318 1259552810 /nfs/dbraw/zinc/55/28/10/1259552810.db2.gz VVLYFADRANEMQG-KRTXAFLBSA-N -2 0 368.298 0.022 20 0 FCADRL COc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc2oc(=O)ccc12 ZINC001234769680 1259564717 /nfs/dbraw/zinc/56/47/17/1259564717.db2.gz KNFLGAMBDPPURJ-XPTSAGLGSA-N -2 0 366.278 0.243 20 0 FCADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(C(=O)N3CCNC(=O)C3)cn2)c1 ZINC001242161407 1259633076 /nfs/dbraw/zinc/63/30/76/1259633076.db2.gz ZNAISIDHRFAGPD-UHFFFAOYSA-N -2 0 369.333 0.717 20 0 FCADRL COC(=O)C(C(=O)OC)c1cncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242160171 1259633702 /nfs/dbraw/zinc/63/37/02/1259633702.db2.gz FAROADVHPQTTGJ-UHFFFAOYSA-N -2 0 374.305 0.970 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1c(F)cccc1Br ZINC001343013237 1269729338 /nfs/dbraw/zinc/72/93/38/1269729338.db2.gz RANVKKPOGJCLLQ-UHFFFAOYSA-N -2 0 370.152 0.748 20 0 FCADRL CC[C@@H](C)N(CC(=O)OC)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001576653417 1273509246 /nfs/dbraw/zinc/50/92/46/1273509246.db2.gz ZHFGMWKZCPNUIJ-SECBINFHSA-N -2 0 360.378 0.389 20 0 FCADRL CCCN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@H](C)C(=O)OCC ZINC001577660059 1274672903 /nfs/dbraw/zinc/67/29/03/1274672903.db2.gz VGMXSSDFDLXHKY-SNVBAGLBSA-N -2 0 374.405 0.779 20 0 FCADRL CCN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C[C@H](O)C(F)(F)F ZINC001578172575 1275467307 /nfs/dbraw/zinc/46/73/07/1275467307.db2.gz NWIQTYMNVXINLL-VIFPVBQESA-N -2 0 372.311 0.360 20 0 FCADRL CC[C@H](C)[C@H](NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C(=O)OC ZINC001578474013 1275885519 /nfs/dbraw/zinc/88/55/19/1275885519.db2.gz KLIGYYYXLXITEV-UFBFGSQYSA-N -2 0 360.378 0.292 20 0 FCADRL CN(C(N)=O)c1cccc([N-]S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)c1 ZINC001578955597 1276500653 /nfs/dbraw/zinc/50/06/53/1276500653.db2.gz LWQOQRRAKLNEPX-UHFFFAOYSA-N -2 0 374.386 0.577 20 0 FCADRL CN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@@H]1CC(C)(C)OC1=O ZINC001579244784 1277046206 /nfs/dbraw/zinc/04/62/06/1277046206.db2.gz NDUAHDLCUPFPFM-SNVBAGLBSA-N -2 0 358.362 0.141 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)n1 ZINC001603188075 1287325268 /nfs/dbraw/zinc/32/52/68/1287325268.db2.gz LIHQAUJGFYBDTF-WDEREUQCSA-N -2 0 366.399 0.365 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC001603187957 1287324863 /nfs/dbraw/zinc/32/48/63/1287324863.db2.gz LEPZZYZLDVEYBB-DTWKUNHWSA-N -2 0 374.419 0.062 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC001603187887 1287325080 /nfs/dbraw/zinc/32/50/80/1287325080.db2.gz KIHZWSFNFQIRMA-QXEWZRGKSA-N -2 0 359.375 0.932 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCc1nc(-c2ccsc2)no1 ZINC001603204165 1287328890 /nfs/dbraw/zinc/32/88/90/1287328890.db2.gz KALCOHDLVYNBHU-SSDOTTSWSA-N -2 0 359.385 0.650 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H](c1ccccc1F)N1CCOCC1 ZINC001603201825 1287329002 /nfs/dbraw/zinc/32/90/02/1287329002.db2.gz MIWFSUKDEZCUHV-GXFFZTMASA-N -2 0 374.390 0.118 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)COCc1nc2ccccc2s1 ZINC001603205379 1287330951 /nfs/dbraw/zinc/33/09/51/1287330951.db2.gz VBRQDCIFPSIPSY-QMMMGPOBSA-N -2 0 358.397 0.732 20 0 FCADRL CC(C)C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)CC(=O)[O-] ZINC001603306617 1287351598 /nfs/dbraw/zinc/35/15/98/1287351598.db2.gz JUDZDOJSOVTNPN-VIFPVBQESA-N -2 0 357.392 0.875 20 0 FCADRL CC(Cl)(Cl)C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001603589661 1287429332 /nfs/dbraw/zinc/42/93/32/1287429332.db2.gz QEQGOOUMCXUGLM-UHFFFAOYSA-N -2 0 358.145 0.852 20 0 FCADRL CC(C)(CS(=O)(=O)[N-][C@@H](CO)c1nc(-c2ccccc2)no1)C(=O)[O-] ZINC001603659628 1287459822 /nfs/dbraw/zinc/45/98/22/1287459822.db2.gz DEENZJAOVTWMMS-NSHDSACASA-N -2 0 369.399 0.800 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001603669138 1287463475 /nfs/dbraw/zinc/46/34/75/1287463475.db2.gz SJKGFVPVGCNZRV-SSDOTTSWSA-N -2 0 362.308 0.990 20 0 FCADRL CC1(C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCOCC1 ZINC001603751137 1287487799 /nfs/dbraw/zinc/48/77/99/1287487799.db2.gz ANGFHRYDSZMGPP-UHFFFAOYSA-N -2 0 359.346 0.475 20 0 FCADRL CC(C)CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c1ccccc1 ZINC001603760597 1287490085 /nfs/dbraw/zinc/49/00/85/1287490085.db2.gz BDDZWDBVRSMTGK-OAHLLOKOSA-N -2 0 370.427 0.811 20 0 FCADRL CC(C)C[C@H](CNC(=O)C(=O)N1CCSC[C@@H](C(=O)[O-])C1)C(=O)[O-] ZINC001603770685 1287491547 /nfs/dbraw/zinc/49/15/47/1287491547.db2.gz ZRVMLWRGFZSOKM-MNOVXSKESA-N -2 0 360.432 0.126 20 0 FCADRL CC(C)CN1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1=O ZINC001603815242 1287507199 /nfs/dbraw/zinc/50/71/99/1287507199.db2.gz VCMGTIOUJRTCNV-GFCCVEGCSA-N -2 0 368.411 0.694 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)cc1=O ZINC001603853385 1287520263 /nfs/dbraw/zinc/52/02/63/1287520263.db2.gz NHIIDLXXEBCASW-CQSZACIVSA-N -2 0 353.419 0.857 20 0 FCADRL C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C[C@H]1CC(=O)[O-] ZINC001603913418 1287529916 /nfs/dbraw/zinc/52/99/16/1287529916.db2.gz WVGCVEQNKWOXLJ-DTWKUNHWSA-N -2 0 355.376 0.581 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)CC[C@@H]1CCC(=O)[O-] ZINC001603939908 1287540274 /nfs/dbraw/zinc/54/02/74/1287540274.db2.gz XGDTXGTZZSVJRB-ZJUUUORDSA-N -2 0 369.403 0.971 20 0 FCADRL C[C@@H](CC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)CC1)C(=O)[O-] ZINC001589803170 1283018942 /nfs/dbraw/zinc/01/89/42/1283018942.db2.gz OBBFQCXKOBHRKF-VIFPVBQESA-N -2 0 369.403 0.971 20 0 FCADRL C[C@H]1C[C@@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCC1=O ZINC001590184625 1283293030 /nfs/dbraw/zinc/29/30/30/1283293030.db2.gz JFUOEGTZFQFRKA-IUCAKERBSA-N -2 0 371.357 0.664 20 0 FCADRL CCOC[C@@H](NS(=O)(=O)c1sc(C(=O)[O-])cc1OC)C(=O)[O-] ZINC001605640838 1288043405 /nfs/dbraw/zinc/04/34/05/1288043405.db2.gz LLLBYYPBOXVYHF-ZCFIWIBFSA-N -2 0 353.374 0.223 20 0 FCADRL C[C@H]1CN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)CC[C@@H]1C(=O)[O-] ZINC001590314835 1283457367 /nfs/dbraw/zinc/45/73/67/1283457367.db2.gz USMKFGUSTPQZEU-YUMQZZPRSA-N -2 0 357.417 0.660 20 0 FCADRL CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)c2ccc(OCC(=O)[O-])cc2)CO1 ZINC001604518641 1287651044 /nfs/dbraw/zinc/65/10/44/1287651044.db2.gz JTIQIQARHKSKDW-GFCCVEGCSA-N -2 0 357.384 0.777 20 0 FCADRL CO[C@@](C)(C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CC1 ZINC001591315679 1284463409 /nfs/dbraw/zinc/46/34/09/1284463409.db2.gz ZNZXMTYKQMMJRB-OAHLLOKOSA-N -2 0 359.346 0.473 20 0 FCADRL COCCC1(C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCC1 ZINC001591400790 1284539207 /nfs/dbraw/zinc/53/92/07/1284539207.db2.gz UWKRVMZENFNRJY-UHFFFAOYSA-N -2 0 373.373 0.865 20 0 FCADRL COc1ccccc1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC001591646491 1284777838 /nfs/dbraw/zinc/77/78/38/1284777838.db2.gz AIMPHQCSSLZFDO-UHFFFAOYSA-N -2 0 359.367 0.994 20 0 FCADRL C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001591684068 1284825934 /nfs/dbraw/zinc/82/59/34/1284825934.db2.gz NKGCLYFKBZHUCA-JOCHJYFZSA-N -2 0 353.385 0.998 20 0 FCADRL CSCC[C@@H](NS(=O)(=O)c1ccsc1-c1nnn[n-]1)C(=O)[O-] ZINC001591700732 1284839920 /nfs/dbraw/zinc/83/99/20/1284839920.db2.gz SJDIORYTQKRSJG-ZCFIWIBFSA-N -2 0 363.446 0.413 20 0 FCADRL Cc1ccc(CC(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)o1 ZINC001592146883 1285160942 /nfs/dbraw/zinc/16/09/42/1285160942.db2.gz AUDJRUMZJGYDMQ-UHFFFAOYSA-N -2 0 355.314 0.802 20 0 FCADRL Cn1ncc2c1CCCN(Cc1cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n1)C2 ZINC001592603255 1285539065 /nfs/dbraw/zinc/53/90/65/1285539065.db2.gz MIAKNHXXHNRKSB-UHFFFAOYSA-N -2 0 366.389 0.297 20 0 FCADRL NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001592736170 1285648666 /nfs/dbraw/zinc/64/86/66/1285648666.db2.gz XXACBSSFAIZUMA-UHFFFAOYSA-N -2 0 352.307 0.499 20 0 FCADRL O=C([O-])[C@@H]1CC12CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)o1)CC2 ZINC001593272849 1286057211 /nfs/dbraw/zinc/05/72/11/1286057211.db2.gz CSIQEFHCVVGFKH-QMMMGPOBSA-N -2 0 353.360 0.335 20 0 FCADRL O=C([O-])C1(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC001593276861 1286060331 /nfs/dbraw/zinc/06/03/31/1286060331.db2.gz VREMXMZNAGNSSF-UHFFFAOYSA-N -2 0 359.314 0.288 20 0 FCADRL O=C([O-])CC1CCN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)CC1 ZINC001593278346 1286060910 /nfs/dbraw/zinc/06/09/10/1286060910.db2.gz ZYHJKZXILAIYOL-UHFFFAOYSA-N -2 0 357.417 0.804 20 0 FCADRL CNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001609291513 1289059937 /nfs/dbraw/zinc/05/99/37/1289059937.db2.gz MEQDTLYTGQTOTE-UHFFFAOYSA-N -2 0 363.359 0.736 20 0 FCADRL CCc1cc(C2CC2)nc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)n1 ZINC001597471304 1286346269 /nfs/dbraw/zinc/34/62/69/1286346269.db2.gz AXGPQEKMIQMWCD-UHFFFAOYSA-N -2 0 351.388 0.998 20 0 FCADRL Cc1cc(C(=O)N2CCSC[C@@H]2C(=O)[O-])[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001600085689 1286438757 /nfs/dbraw/zinc/43/87/57/1286438757.db2.gz MPHBSIHJTBTYKZ-MRVPVSSYSA-N -2 0 350.356 0.387 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)c1F ZINC001600111613 1286442719 /nfs/dbraw/zinc/44/27/19/1286442719.db2.gz IELIGRHMVALPJU-GFCCVEGCSA-N -2 0 371.346 0.670 20 0 FCADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC001600123978 1286444977 /nfs/dbraw/zinc/44/49/77/1286444977.db2.gz ZPGDVQUKSRBKJK-WDEREUQCSA-N -3 0 371.367 0.489 20 0 FCADRL Cc1cc(F)c(S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-])cc1C(=O)[O-] ZINC001600226796 1286455393 /nfs/dbraw/zinc/45/53/93/1286455393.db2.gz KHFJSDCSGXXVGD-SECBINFHSA-N -2 0 363.363 0.679 20 0 FCADRL Cc1cc(F)ccc1CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001600233407 1286456480 /nfs/dbraw/zinc/45/64/80/1286456480.db2.gz HBHRSKQTEYOUED-OASPWFOLSA-N -2 0 359.375 0.958 20 0 FCADRL Cc1cc(N2CCC[C@H](NS(=O)(=O)c3ccc(C(=O)[O-])o3)C2)n(C)n1 ZINC001600239633 1286458354 /nfs/dbraw/zinc/45/83/54/1286458354.db2.gz AMAAMMBBXXBHNS-NSHDSACASA-N -2 0 368.415 0.967 20 0 FCADRL Cc1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CCOCC2)oc1C(=O)[O-] ZINC001600297949 1286471517 /nfs/dbraw/zinc/47/15/17/1286471517.db2.gz VKVGBFGHUPSBLJ-JTQLQIEISA-N -2 0 361.372 0.834 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)CCc2cn(C)nc2C)oc1C(=O)[O-] ZINC001600296358 1286471917 /nfs/dbraw/zinc/47/19/17/1286471917.db2.gz BYUCFDKGXFASEY-UHFFFAOYSA-N -2 0 355.372 0.766 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c(C(=O)[O-])c1 ZINC001600475960 1286492425 /nfs/dbraw/zinc/49/24/25/1286492425.db2.gz RBZVAGRNDKFJGG-KOLCDFICSA-N -3 0 371.367 0.489 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1C(N)=O ZINC001600478320 1286493727 /nfs/dbraw/zinc/49/37/27/1286493727.db2.gz SYPACVGGWLXHGN-XYPYZODXSA-N -2 0 368.411 0.790 20 0 FCADRL Cc1cnn(C[C@H](NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C(=O)[O-])c1 ZINC001600636800 1286518570 /nfs/dbraw/zinc/51/85/70/1286518570.db2.gz NGCRRJXAHXXTCY-LBPRGKRZSA-N -2 0 371.346 0.461 20 0 FCADRL Cc1nn(-c2ccccc2)c(C)c1CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001600762452 1286540089 /nfs/dbraw/zinc/54/00/89/1286540089.db2.gz ACLUYQSQGRJJHC-GFCCVEGCSA-N -2 0 365.411 0.951 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001600834571 1286552942 /nfs/dbraw/zinc/55/29/42/1286552942.db2.gz VZZNCCCIYVSWMI-ZETCQYMHSA-N -2 0 360.388 0.642 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H](C)N(C)CC(F)(F)F ZINC001600834419 1286553132 /nfs/dbraw/zinc/55/31/32/1286553132.db2.gz PNMZPDHLZXOXPE-ZCFIWIBFSA-N -2 0 372.321 0.974 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)c1cc2c(cn1)OCCO2 ZINC001600836817 1286553173 /nfs/dbraw/zinc/55/31/73/1286553173.db2.gz SMBFXVAXEBEWJS-UHFFFAOYSA-N -2 0 368.323 0.571 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)CCn1ccccc1=O ZINC001600834615 1286553277 /nfs/dbraw/zinc/55/32/77/1286553277.db2.gz YQCVZKBSMTWYFP-UHFFFAOYSA-N -2 0 354.340 0.343 20 0 FCADRL Cc1oc(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cc1C(=O)[O-] ZINC001600855688 1286557809 /nfs/dbraw/zinc/55/78/09/1286557809.db2.gz VKWOOLZGKCSFHB-LLVKDONJSA-N -2 0 354.340 0.655 20 0 FCADRL Cn1c2cc(O)c([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc2n(C)c1=O ZINC001600895215 1286564234 /nfs/dbraw/zinc/56/42/34/1286564234.db2.gz YZCZNQKYAILWNG-UHFFFAOYSA-N -2 0 357.388 0.435 20 0 FCADRL Cn1cc(C(=O)[N-]S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)ccc1=O ZINC001600931961 1286572535 /nfs/dbraw/zinc/57/25/35/1286572535.db2.gz HVVGRRCQMNUINX-UHFFFAOYSA-N -2 0 351.340 0.170 20 0 FCADRL Cn1cc([C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C(F)(F)F)cn1 ZINC001600939372 1286575381 /nfs/dbraw/zinc/57/53/81/1286575381.db2.gz IJFMWQADDSRNTC-QMMMGPOBSA-N -2 0 353.282 0.423 20 0 FCADRL Cn1cc(C[C@H](CNS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])C(=O)[O-])cn1 ZINC001600947681 1286577753 /nfs/dbraw/zinc/57/77/53/1286577753.db2.gz NJJVOKHBOQROJV-AGIUHOORSA-N -2 0 373.431 0.226 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])s2)cc1C(N)=O ZINC001600968535 1286584860 /nfs/dbraw/zinc/58/48/60/1286584860.db2.gz ZTBHECJRBIIARZ-UHFFFAOYSA-N -2 0 357.369 0.002 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cccc(O[C@H]3CC(=O)N3)c2)cc1C(=O)[O-] ZINC001600969923 1286585992 /nfs/dbraw/zinc/58/59/92/1286585992.db2.gz UTNQJFYIOIJNIK-AWEZNQCLSA-N -2 0 365.367 0.749 20 0 FCADRL Cn1ccc(CCC(=O)[N-]S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)n1 ZINC001600975141 1286586769 /nfs/dbraw/zinc/58/67/69/1286586769.db2.gz GOAUTWIXAOMSJU-UHFFFAOYSA-N -2 0 352.372 0.524 20 0 FCADRL Cn1nccc1[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCCCC1)C(=O)[O-] ZINC001601034168 1286611743 /nfs/dbraw/zinc/61/17/43/1286611743.db2.gz BMUXZNLWOKZHCK-NSHDSACASA-N -2 0 359.404 0.500 20 0 FCADRL NC(=O)c1csc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC001601170307 1286672238 /nfs/dbraw/zinc/67/22/38/1286672238.db2.gz DNWSCGTVAVLFLH-UHFFFAOYSA-N -2 0 360.394 0.725 20 0 FCADRL O=C([O-])c1cnc(S(=O)(=O)CC(=O)NCCOc2ccccc2)[n-]1 ZINC001601347035 1286733253 /nfs/dbraw/zinc/73/32/53/1286733253.db2.gz NOPOQDVCHRFDPM-UHFFFAOYSA-N -2 0 353.356 0.077 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)Cn1ncc2ccccc21 ZINC001601391171 1286739252 /nfs/dbraw/zinc/73/92/52/1286739252.db2.gz KJDISBQLGIPTJM-UHFFFAOYSA-N -2 0 366.380 0.696 20 0 FCADRL O=C([O-])[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccccc1Br ZINC001601399020 1286740647 /nfs/dbraw/zinc/74/06/47/1286740647.db2.gz CKVNDNSNMZLUMX-ZETCQYMHSA-N -2 0 369.131 0.601 20 0 FCADRL O=C([O-])[C@@H](CNC(=O)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)C1CCC1 ZINC001601450503 1286754452 /nfs/dbraw/zinc/75/44/52/1286754452.db2.gz LQNVKWUGRHXPQJ-LSDHHAIUSA-N -2 0 374.393 0.814 20 0 FCADRL O=C([O-])[C@@H](O)CCNC(=O)c1cccc(I)c1[O-] ZINC001601509852 1286773738 /nfs/dbraw/zinc/77/37/38/1286773738.db2.gz ODKLABYHGKZPPW-QMMMGPOBSA-N -2 0 365.123 0.562 20 0 FCADRL O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3ccc(-n4[nH]c(=O)[n-]c4=O)cc3)[C@@H]2C1 ZINC001601578347 1286787280 /nfs/dbraw/zinc/78/72/80/1286787280.db2.gz LDNKYXSDMIFFHW-DNIRFERGSA-N -2 0 358.354 0.495 20 0 FCADRL O=C([O-])[C@H](CCC1OCCO1)NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC001601645984 1286799211 /nfs/dbraw/zinc/79/92/11/1286799211.db2.gz XOSAIMCKIBTZPY-VIFPVBQESA-N -2 0 365.791 0.930 20 0 FCADRL O=C([O-])[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCCC1)[C@@H](O)c1ccccc1 ZINC001601678045 1286805041 /nfs/dbraw/zinc/80/50/41/1286805041.db2.gz ZZHUXXSNSIHYNL-OLZOCXBDSA-N -2 0 371.411 0.738 20 0 FCADRL O=C([O-])C1CC2(C1)CN(C(=O)CCOCC(F)(F)F)C[C@@H]2C(=O)[O-] ZINC001601781449 1286833421 /nfs/dbraw/zinc/83/34/21/1286833421.db2.gz OEENDKBWMUSTKY-XQVHRTOBSA-N -2 0 353.293 0.979 20 0 FCADRL O=C([O-])[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC001601803974 1286838717 /nfs/dbraw/zinc/83/87/17/1286838717.db2.gz IQGIHERHPFKGEZ-BDAKNGLRSA-N -2 0 365.358 0.844 20 0 FCADRL O=C([O-])[C@@H]1N(S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC12CCOCC2 ZINC001601811566 1286839526 /nfs/dbraw/zinc/83/95/26/1286839526.db2.gz YHFAMUXQBMKDPF-WOPDTQHZSA-N -2 0 361.416 0.525 20 0 FCADRL O=C([O-])[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H]([C@@H]2CCCO2)C1 ZINC001601822334 1286842349 /nfs/dbraw/zinc/84/23/49/1286842349.db2.gz AWZBAUIDHJRHQH-UTUOFQBUSA-N -2 0 368.390 0.340 20 0 FCADRL O=C([O-])[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H]([C@H]2CCCO2)C1 ZINC001601822332 1286842786 /nfs/dbraw/zinc/84/27/86/1286842786.db2.gz AWZBAUIDHJRHQH-GRYCIOLGSA-N -2 0 368.390 0.340 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)c1ccsc1 ZINC001601910260 1286867438 /nfs/dbraw/zinc/86/74/38/1286867438.db2.gz ZZCVPKZCMUANBN-SNVBAGLBSA-N -2 0 359.385 0.524 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)c1ccsc1 ZINC001601910259 1286868127 /nfs/dbraw/zinc/86/81/27/1286868127.db2.gz ZZCVPKZCMUANBN-JTQLQIEISA-N -2 0 359.385 0.524 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1scnc1C(=O)[O-])C1CCOCC1 ZINC001601909463 1286868205 /nfs/dbraw/zinc/86/82/05/1286868205.db2.gz RKPDSFMRGQOTOD-MRVPVSSYSA-N -2 0 364.401 0.390 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)SCC(=O)N2 ZINC001601998939 1286893662 /nfs/dbraw/zinc/89/36/62/1286893662.db2.gz BTFYXAYOXLEANP-UHFFFAOYSA-N -2 0 358.397 0.655 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cc(-n2ccnn2)ccc1F ZINC001601999223 1286893790 /nfs/dbraw/zinc/89/37/90/1286893790.db2.gz LRSPKGAUSAVXGY-UHFFFAOYSA-N -2 0 356.335 0.331 20 0 FCADRL O=C([O-])CCN(Cc1ccncc1)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001602007985 1286895711 /nfs/dbraw/zinc/89/57/11/1286895711.db2.gz HOFVWHBMYHANJP-UHFFFAOYSA-N -2 0 365.367 0.840 20 0 FCADRL O=C([O-])CCN(CCO)S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC001602006654 1286895804 /nfs/dbraw/zinc/89/58/04/1286895804.db2.gz VIJSZBDQRBUHMO-UHFFFAOYSA-N -2 0 353.299 0.121 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)CCc1ccc2c(c1)OC(F)(F)O2 ZINC001602027657 1286908821 /nfs/dbraw/zinc/90/88/21/1286908821.db2.gz IZHXAAWVIJBIOP-UHFFFAOYSA-N -2 0 365.310 0.861 20 0 FCADRL O=C([O-])CN(Cc1ccccc1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001602060160 1286915550 /nfs/dbraw/zinc/91/55/50/1286915550.db2.gz SPNVRAOUXSJVAF-UHFFFAOYSA-N -2 0 356.400 0.615 20 0 FCADRL O=C([O-])CNC(=O)CN1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001602065954 1286919389 /nfs/dbraw/zinc/91/93/89/1286919389.db2.gz MFBGPXLGFAVMQX-OAHLLOKOSA-N -2 0 369.805 0.284 20 0 FCADRL O=C([O-])COc1cccc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)c1 ZINC001602094388 1286934045 /nfs/dbraw/zinc/93/40/45/1286934045.db2.gz XCQOEJNLKPPIDR-CYBMUJFWSA-N -2 0 364.354 0.706 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC001602096599 1286934414 /nfs/dbraw/zinc/93/44/14/1286934414.db2.gz AKULKTINJUHJGX-UTUOFQBUSA-N -2 0 368.415 0.145 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])cc1F ZINC001602131760 1286943633 /nfs/dbraw/zinc/94/36/33/1286943633.db2.gz LMLAMEHXTBGMGB-SECBINFHSA-N -2 0 355.290 0.840 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N[C@@H](Cc2ncccn2)C(=O)[O-])cc1 ZINC001602132665 1286944060 /nfs/dbraw/zinc/94/40/60/1286944060.db2.gz ZEOLDEDCFVCNLP-LBPRGKRZSA-N -2 0 365.367 0.078 20 0 FCADRL O=C([O-])Cc1cccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@]3(CCOC3)C2)c1 ZINC001602141314 1286947346 /nfs/dbraw/zinc/94/73/46/1286947346.db2.gz DDANOLMZNVATSF-BBRMVZONSA-N -2 0 369.395 0.426 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)N2[C@@H]3CCCC[C@H]3CC[C@H]2C(=O)[O-])cn1 ZINC001602163835 1286954285 /nfs/dbraw/zinc/95/42/85/1286954285.db2.gz SBZPFQVEPHXRER-UHTWSYAYSA-N -2 0 371.415 0.764 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])cn1 ZINC001602164189 1286954332 /nfs/dbraw/zinc/95/43/32/1286954332.db2.gz TVBXWSYYWTZSPS-VXGBXAGGSA-N -2 0 359.404 0.670 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2nnc(CC(F)(F)F)o2)cn1 ZINC001602164857 1286955165 /nfs/dbraw/zinc/95/51/65/1286955165.db2.gz NBQJOZNKNMDQDX-UHFFFAOYSA-N -2 0 355.254 0.256 20 0 FCADRL O=C([O-])c1cc(F)cc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@]3(CCOC3)C2)c1 ZINC001602272362 1286978524 /nfs/dbraw/zinc/97/85/24/1286978524.db2.gz OTZHIXOFPJDKII-DOMZBBRYSA-N -2 0 373.358 0.636 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])c(Br)o1 ZINC001602292828 1286984010 /nfs/dbraw/zinc/98/40/10/1286984010.db2.gz IUKNNKVGWSAQEF-BYPYZUCNSA-N -2 0 374.140 0.831 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CC(F)(F)C2(O)CCCCC2)on1 ZINC001602293848 1286984929 /nfs/dbraw/zinc/98/49/29/1286984929.db2.gz LRSVJEHXKAWVTL-UHFFFAOYSA-N -2 0 354.331 0.982 20 0 FCADRL O=C([O-])c1cn([C@H]2CCN(C(=O)NCc3ccc(C(=O)[O-])cc3)C2)nn1 ZINC001602341377 1286988806 /nfs/dbraw/zinc/98/88/06/1286988806.db2.gz PJYWIXBPNIPQQU-LBPRGKRZSA-N -2 0 359.342 0.831 20 0 FCADRL O=C([O-])c1ccc(CCNS(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC001602333550 1286989110 /nfs/dbraw/zinc/98/91/10/1286989110.db2.gz LPQUGQATWLXTCO-UHFFFAOYSA-N -2 0 350.352 0.999 20 0 FCADRL O=C([O-])c1ccc(CNC(=O)c2c[n-]n3c2nccc3=O)nc1C1CC1 ZINC001602342783 1286989235 /nfs/dbraw/zinc/98/92/35/1286989235.db2.gz FIMWNHHGQFEXHN-UHFFFAOYSA-N -2 0 353.338 0.923 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1 ZINC001602353628 1286990890 /nfs/dbraw/zinc/99/08/90/1286990890.db2.gz CRRQFVXSBZKSND-NEPJUHHUSA-N -3 0 371.367 0.322 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)c(F)c1 ZINC001602394449 1286993837 /nfs/dbraw/zinc/99/38/37/1286993837.db2.gz UVEMGKPSSDLATL-CABZTGNLSA-N -2 0 361.347 0.370 20 0 FCADRL O=C([O-])c1ccc2c(c1)CN(C(=O)Cn1[n-]cc3c(=O)ncnc1-3)CC2 ZINC001602420936 1287000191 /nfs/dbraw/zinc/00/01/91/1287000191.db2.gz ZDHRGJWNIRDDAU-UHFFFAOYSA-N -2 0 353.338 0.354 20 0 FCADRL O=C([O-])c1ccc2c(c1)CN(C(=O)C(=O)N1CCC(C(=O)[O-])CC1)CC2 ZINC001602419185 1287000399 /nfs/dbraw/zinc/00/03/99/1287000399.db2.gz SEFCNNCJRQBWCQ-UHFFFAOYSA-N -2 0 360.366 0.593 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)N2CC3(CCOCC3)[C@@H]2C(=O)[O-])c1 ZINC001602452655 1287003727 /nfs/dbraw/zinc/00/37/27/1287003727.db2.gz UQSVTHJBLHZNRL-LBPRGKRZSA-N -2 0 355.368 0.639 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2cnn3c2OCCC3)c1 ZINC001602451804 1287004210 /nfs/dbraw/zinc/00/42/10/1287004210.db2.gz NGHNVKNWVUKFFI-UHFFFAOYSA-N -2 0 351.340 0.483 20 0 FCADRL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]c1ncc(-c2cncc(F)c2)cn1 ZINC001602507311 1287019482 /nfs/dbraw/zinc/01/94/82/1287019482.db2.gz XNNPZGVZIYYNRL-UHFFFAOYSA-N -2 0 364.318 0.900 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001602583774 1287030392 /nfs/dbraw/zinc/03/03/92/1287030392.db2.gz QYKMKVINUWGKCL-ZCFIWIBFSA-N -2 0 359.389 0.233 20 0 FCADRL C[C@H](C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1)n1cnc(-c2nnn[n-]2)n1 ZINC001603024905 1287188766 /nfs/dbraw/zinc/18/87/66/1287188766.db2.gz FWRRODYYXGKESR-MRVPVSSYSA-N -2 0 366.345 0.754 20 0 FCADRL CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001603055480 1287200818 /nfs/dbraw/zinc/20/08/18/1287200818.db2.gz PODDBEKOYHNJAT-ZDUSSCGKSA-N -2 0 371.415 0.709 20 0 FCADRL CCC(CC)(CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)C(=O)[O-] ZINC001604992418 1287829214 /nfs/dbraw/zinc/82/92/14/1287829214.db2.gz CEEYZEGHOBHGBP-UHFFFAOYSA-N -2 0 368.390 0.649 20 0 FCADRL Cc1ccc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])nn1 ZINC001605247163 1287915343 /nfs/dbraw/zinc/91/53/43/1287915343.db2.gz NPPSMPHEORITJT-WCBMZHEXSA-N -2 0 360.292 0.521 20 0 FCADRL CCOC(=O)Cn1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])n1 ZINC001605543161 1287993211 /nfs/dbraw/zinc/99/32/11/1287993211.db2.gz CIKGQMXOIVJZNT-UHFFFAOYSA-N -2 0 360.373 0.402 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c(F)c1 ZINC001605572887 1288010273 /nfs/dbraw/zinc/01/02/73/1288010273.db2.gz YUBYSTUWUAWLAA-UHFFFAOYSA-N -2 0 372.334 0.479 20 0 FCADRL CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)c1 ZINC001605734332 1288066824 /nfs/dbraw/zinc/06/68/24/1288066824.db2.gz HOHWPHLSYDQZSM-UHFFFAOYSA-N -2 0 373.412 0.713 20 0 FCADRL Cc1nc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)sc1C(=O)[O-] ZINC001606042870 1288144895 /nfs/dbraw/zinc/14/48/95/1288144895.db2.gz JIMGUACRBPTOBM-UHFFFAOYSA-N -2 0 370.372 0.401 20 0 FCADRL CNS(=O)(=O)c1cc(NC(=O)Cc2ccc(C(=O)[O-])nc2)ccc1[O-] ZINC001606304157 1288259630 /nfs/dbraw/zinc/25/96/30/1288259630.db2.gz BPLOTWUXXPWGRO-UHFFFAOYSA-N -2 0 365.367 0.575 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccc(OC)cc1 ZINC001606342680 1288264316 /nfs/dbraw/zinc/26/43/16/1288264316.db2.gz OXTHYIKDAQPVOI-LBPRGKRZSA-N -2 0 370.339 0.574 20 0 FCADRL COC(=O)C1(NS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CCSCC1 ZINC001606354807 1288270818 /nfs/dbraw/zinc/27/08/18/1288270818.db2.gz VWWVKHGDCRZADZ-GHMZBOCLSA-N -2 0 365.473 0.988 20 0 FCADRL COC(=O)CC[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCCCC1)C(=O)[O-] ZINC001606460434 1288329138 /nfs/dbraw/zinc/32/91/38/1288329138.db2.gz PTWNUMRHWMXQRD-JTQLQIEISA-N -2 0 365.404 0.347 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](CC2CC2)C(=O)[O-])c1 ZINC001606531206 1288366813 /nfs/dbraw/zinc/36/68/13/1288366813.db2.gz CKNAWQJPAXWCHX-LBPRGKRZSA-N -2 0 371.367 0.703 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001606579855 1288393212 /nfs/dbraw/zinc/39/32/12/1288393212.db2.gz SFNSBKMRKQNWFQ-HTQZYQBOSA-N -2 0 359.356 0.559 20 0 FCADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1C ZINC001606644091 1288422039 /nfs/dbraw/zinc/42/20/39/1288422039.db2.gz DZEQVMTXSHFGGZ-UHFFFAOYSA-N -2 0 359.385 0.925 20 0 FCADRL CO[C@](C)(C(=O)[O-])C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001606652925 1288424202 /nfs/dbraw/zinc/42/42/02/1288424202.db2.gz OVOORSQKSWYERL-DIFFPNOSSA-N -2 0 350.371 0.912 20 0 FCADRL CO[C@H]1CCN(C(=O)c2nc[n-]c(=O)c2Br)[C@H](C(=O)[O-])C1 ZINC001606756002 1288493555 /nfs/dbraw/zinc/49/35/55/1288493555.db2.gz ZFKQXXRZERICIV-BQBZGAKWSA-N -2 0 360.164 0.649 20 0 FCADRL COC[C@H](NC(=O)c1cc(Br)cc(C(=O)[O-])c1)c1nnn[n-]1 ZINC001606812606 1288529427 /nfs/dbraw/zinc/52/94/27/1288529427.db2.gz DCZBARRHGJPWLK-VIFPVBQESA-N -2 0 370.163 0.778 20 0 FCADRL COCC[C@H](NS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-])C(=O)[O-] ZINC001606863238 1288541929 /nfs/dbraw/zinc/54/19/29/1288541929.db2.gz WTKXICUNNAJJNR-NSHDSACASA-N -2 0 368.367 0.701 20 0 FCADRL COCCOc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])[nH]2)c1 ZINC001606917599 1288562300 /nfs/dbraw/zinc/56/23/00/1288562300.db2.gz PVWJGNCUGLWEQM-UHFFFAOYSA-N -2 0 368.367 0.857 20 0 FCADRL COCCn1ccc([N-]S(=O)(=O)c2ccc(OC)cc2CC(=O)[O-])n1 ZINC001606932552 1288568608 /nfs/dbraw/zinc/56/86/08/1288568608.db2.gz CVEZZTGLOKOVSO-UHFFFAOYSA-N -2 0 369.399 0.966 20 0 FCADRL COc1cc(S(=O)(=O)[N-]c2cnccc2NC(C)=O)ccc1C(=O)[O-] ZINC001607189597 1288681364 /nfs/dbraw/zinc/68/13/64/1288681364.db2.gz GLYXYYDEIVYGLX-UHFFFAOYSA-N -2 0 365.367 0.970 20 0 FCADRL COc1cccc([C@@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C(=O)[O-])c1 ZINC001607312620 1288698067 /nfs/dbraw/zinc/69/80/67/1288698067.db2.gz GQWKMSFJUMTYFA-CYBMUJFWSA-N -2 0 372.399 0.452 20 0 FCADRL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cnc(C(=O)[O-])cn1 ZINC001607383200 1288703660 /nfs/dbraw/zinc/70/36/60/1288703660.db2.gz OHIHQGXYIUKJSD-UHFFFAOYSA-N -2 0 357.369 0.379 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])n2)cn1 ZINC001607382505 1288703830 /nfs/dbraw/zinc/70/38/30/1288703830.db2.gz CDTNZRJCNAWISO-UHFFFAOYSA-N -2 0 371.396 0.308 20 0 FCADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-] ZINC001607531629 1288724182 /nfs/dbraw/zinc/72/41/82/1288724182.db2.gz GCAREFZMESBJIL-QMMMGPOBSA-N -2 0 363.363 0.679 20 0 FCADRL Cc1cc2nc(C)cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])n2n1 ZINC001607580023 1288728302 /nfs/dbraw/zinc/72/83/02/1288728302.db2.gz OEUPKOVICMQILS-VHSXEESVSA-N -2 0 354.388 0.515 20 0 FCADRL Cc1ccc(C[C@H](CNS(=O)(=O)N(C)CCC(=O)[O-])C(=O)[O-])cc1 ZINC001607773879 1288738129 /nfs/dbraw/zinc/73/81/29/1288738129.db2.gz RQYNSODNTIDBOJ-CYBMUJFWSA-N -2 0 358.416 0.479 20 0 FCADRL Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)[N-]OCCCC(=O)[O-])C2=O)cc1 ZINC001607765788 1288738281 /nfs/dbraw/zinc/73/82/81/1288738281.db2.gz UMFAYASECCCQAQ-QGZVFWFLSA-N -2 0 363.370 0.675 20 0 FCADRL Cc1cn2ccnc(C(=O)[N-]S(=O)(=O)c3ccsc3C(=O)[O-])c2n1 ZINC001607902691 1288745554 /nfs/dbraw/zinc/74/55/54/1288745554.db2.gz BJQUNQBKOLJHMH-UHFFFAOYSA-N -2 0 366.380 0.916 20 0 FCADRL Cc1oc(CNC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001608051354 1288762159 /nfs/dbraw/zinc/76/21/59/1288762159.db2.gz SXFNLHMHRFITIN-PSASIEDQSA-N -2 0 352.343 0.472 20 0 FCADRL Cn1cc(C(N)=O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC001608106453 1288769240 /nfs/dbraw/zinc/76/92/40/1288769240.db2.gz UYVUNVIPPGDVOI-UHFFFAOYSA-N -2 0 358.763 0.671 20 0 FCADRL Cn1cc([C@H](NS(=O)(=O)Cc2ccccc2C(=O)[O-])C(=O)[O-])cn1 ZINC001608107717 1288769542 /nfs/dbraw/zinc/76/95/42/1288769542.db2.gz ZVTXULDLRBHULK-LBPRGKRZSA-N -2 0 353.356 0.364 20 0 FCADRL Cn1cc(S(=O)(=O)NCCc2ccccc2C(=O)[O-])cc1C(=O)[O-] ZINC001608121537 1288773970 /nfs/dbraw/zinc/77/39/70/1288773970.db2.gz KARLIOVRQFJGPA-UHFFFAOYSA-N -2 0 352.368 0.943 20 0 FCADRL Cn1cccc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1=O ZINC001608130053 1288776793 /nfs/dbraw/zinc/77/67/93/1288776793.db2.gz JLXHDYQAKVVZOI-UHFFFAOYSA-N -2 0 370.770 0.856 20 0 FCADRL Cn1nccc1S(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1C(=O)[O-] ZINC001608166768 1288785624 /nfs/dbraw/zinc/78/56/24/1288785624.db2.gz YEASICFLYOWXPG-UHFFFAOYSA-N -2 0 359.385 0.323 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)C[C@H](C(=O)[O-])c2ccccc2)n1 ZINC001608234944 1288797720 /nfs/dbraw/zinc/79/77/20/1288797720.db2.gz QVRGCOMPSVJERR-LBPRGKRZSA-N -2 0 366.399 0.369 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)[O-])n1 ZINC001608235040 1288797836 /nfs/dbraw/zinc/79/78/36/1288797836.db2.gz RPEQSRPJHAXZNN-UHFFFAOYSA-N -2 0 372.790 0.911 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H](CC(=O)[O-])C2CCCC2)c1 ZINC001608262941 1288808378 /nfs/dbraw/zinc/80/83/78/1288808378.db2.gz RSPWMOQYLSFBQP-GFCCVEGCSA-N -2 0 356.400 0.803 20 0 FCADRL O=C([O-])[C@@H](Cc1ccc(F)cc1)OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001608373018 1288831922 /nfs/dbraw/zinc/83/19/22/1288831922.db2.gz DCKGLRMOUSFPQN-GFCCVEGCSA-N -2 0 360.301 0.449 20 0 FCADRL O=C([O-])CCCO[N-]C(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1 ZINC001608715730 1288868369 /nfs/dbraw/zinc/86/83/69/1288868369.db2.gz COLVAFXOXSPXDJ-UHFFFAOYSA-N -2 0 371.411 0.922 20 0 FCADRL O=C([O-])CCCS(=O)(=O)N[C@@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-] ZINC001608718408 1288869257 /nfs/dbraw/zinc/86/92/57/1288869257.db2.gz QJPFRQDKWYYEDY-ZETCQYMHSA-N -2 0 373.309 0.139 20 0 FCADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)n1 ZINC001608793095 1288874687 /nfs/dbraw/zinc/87/46/87/1288874687.db2.gz SIOLGPYZSYSVBX-SECBINFHSA-N -2 0 358.401 0.729 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cs1 ZINC001608857977 1288875889 /nfs/dbraw/zinc/87/58/89/1288875889.db2.gz NOADOZDDJWJDNJ-UHFFFAOYSA-N -2 0 372.346 0.745 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3ncncc3C2)s1 ZINC001608910716 1288878403 /nfs/dbraw/zinc/87/84/03/1288878403.db2.gz IDHPASWKPCQNHA-MRVPVSSYSA-N -2 0 367.408 0.846 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)s1 ZINC001608909638 1288879189 /nfs/dbraw/zinc/87/91/89/1288879189.db2.gz RJYFEMGGHPTABK-ZETCQYMHSA-N -2 0 358.401 0.838 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCc3n[nH]cc3C2)c1 ZINC001608932455 1288880256 /nfs/dbraw/zinc/88/02/56/1288880256.db2.gz KGYOFSCLBAEKJC-LLVKDONJSA-N -2 0 363.395 0.859 20 0 FCADRL O=C([O-])[C@H](CC1CCCC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609571577 1289232234 /nfs/dbraw/zinc/23/22/34/1289232234.db2.gz NOOFRPIOQCUBRX-VIFPVBQESA-N -2 0 355.376 0.772 20 0 FCADRL O=C(OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001609576042 1289237124 /nfs/dbraw/zinc/23/71/24/1289237124.db2.gz WPSMIOXCAQMGCL-SFGNSQDASA-N -2 0 369.341 0.273 20 0 FCADRL O=C1CCN1c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001609588818 1289244518 /nfs/dbraw/zinc/24/45/18/1289244518.db2.gz MAYHBQRPTGNKLS-UHFFFAOYSA-N -2 0 360.355 0.997 20 0 FCADRL CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001609622450 1289266420 /nfs/dbraw/zinc/26/64/20/1289266420.db2.gz XLWMMDBMLXKPFU-AWEZNQCLSA-N -2 0 370.427 0.882 20 0 FCADRL CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC001609629080 1289267991 /nfs/dbraw/zinc/26/79/91/1289267991.db2.gz PLUWNGAEJDPEDQ-UHFFFAOYSA-N -2 0 354.384 0.660 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(-c2nc[nH]n2)c1 ZINC001609639327 1289270774 /nfs/dbraw/zinc/27/07/74/1289270774.db2.gz VQJGQZIGTWIJNG-RKDXNWHRSA-N -2 0 352.372 0.641 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C(=O)N(C)C)c1 ZINC001609638923 1289270973 /nfs/dbraw/zinc/27/09/73/1289270973.db2.gz OHIPATNKNISQCY-UWVGGRQHSA-N -2 0 356.400 0.557 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(N2CCCCCC2)nc1 ZINC001609642663 1289271356 /nfs/dbraw/zinc/27/13/56/1289271356.db2.gz AFEKEEZYKQLKSS-NSHDSACASA-N -2 0 355.416 0.995 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H](c1ccccc1)N1CCSCC1 ZINC001609642356 1289271544 /nfs/dbraw/zinc/27/15/44/1289271544.db2.gz NXVATZWWRXCAPE-DGCLKSJQSA-N -2 0 372.468 0.696 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)[N-]S(=O)(=O)CC(=O)[O-])C1 ZINC001609661771 1289275767 /nfs/dbraw/zinc/27/57/67/1289275767.db2.gz UWPZBRPQBHRHFC-JTQLQIEISA-N -2 0 364.420 0.554 20 0 FCADRL C[C@@](CO)(CNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)CC(=O)[O-] ZINC001609746966 1289289347 /nfs/dbraw/zinc/28/93/47/1289289347.db2.gz SEEAIOQGNDOKPO-ZDUSSCGKSA-N -2 0 367.326 0.415 20 0 FCADRL C[C@H](CS(=O)(=O)N[C@H](CCC(=O)c1ccccc1)C(=O)[O-])C(=O)[O-] ZINC001609750940 1289290162 /nfs/dbraw/zinc/29/01/62/1289290162.db2.gz TZMFAWJAEMPEFX-ZYHUDNBSSA-N -2 0 357.384 0.743 20 0 FCADRL C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)C1 ZINC001609814987 1289302940 /nfs/dbraw/zinc/30/29/40/1289302940.db2.gz QXJZFMPHKUKUEO-SJCJKPOMSA-N -2 0 354.403 0.803 20 0 FCADRL C[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(C(=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC001609856180 1289312878 /nfs/dbraw/zinc/31/28/78/1289312878.db2.gz HTWDOZJFCCUSIU-BXUZGUMPSA-N -2 0 362.382 0.613 20 0 FCADRL C[C@H]1CCN(C(=O)C(=O)NCCc2ccc(C(=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC001609856184 1289312922 /nfs/dbraw/zinc/31/29/22/1289312922.db2.gz HTWDOZJFCCUSIU-FZMZJTMJSA-N -2 0 362.382 0.613 20 0 FCADRL CCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)CC1=O ZINC001609977625 1289334390 /nfs/dbraw/zinc/33/43/90/1289334390.db2.gz FIIDPTNIHXOKRB-SECBINFHSA-N -2 0 358.372 0.350 20 0 FCADRL CCOC(=O)c1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)s1 ZINC001610023627 1289350065 /nfs/dbraw/zinc/35/00/65/1289350065.db2.gz MAMGJXMSJKSKIX-UHFFFAOYSA-N -2 0 358.357 0.609 20 0 FCADRL CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001610028084 1289350595 /nfs/dbraw/zinc/35/05/95/1289350595.db2.gz DAFNKJSGBDVDMS-NWDGAFQWSA-N -2 0 357.384 0.552 20 0 FCADRL CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)ccn1 ZINC001610098037 1289370284 /nfs/dbraw/zinc/37/02/84/1289370284.db2.gz UICKBLOUYIBXMF-UHFFFAOYSA-N -2 0 367.358 0.843 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H](CC(=O)[O-])C2CC2)c1 ZINC001610103394 1289373556 /nfs/dbraw/zinc/37/35/56/1289373556.db2.gz NOOFVRJAPKBKQS-LBPRGKRZSA-N -2 0 356.400 0.626 20 0 FCADRL CN1C(=O)C[C@@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])[C@H]1c1cccc(Cl)c1 ZINC001610127406 1289383298 /nfs/dbraw/zinc/38/32/98/1289383298.db2.gz LQZZNZNVPAAHQJ-ZWNOBZJWSA-N -2 0 374.802 0.390 20 0 FCADRL COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001610151063 1289400746 /nfs/dbraw/zinc/40/07/46/1289400746.db2.gz MUGSAUXURPFPGB-QMMMGPOBSA-N -2 0 365.747 0.333 20 0 FCADRL COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cc1F ZINC001610150827 1289401239 /nfs/dbraw/zinc/40/12/39/1289401239.db2.gz PQMHBFWIPCPESV-JGVFFNPUSA-N -2 0 361.347 0.781 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])cn1 ZINC001610187264 1289416556 /nfs/dbraw/zinc/41/65/56/1289416556.db2.gz OWQIZRWNXGHKJM-UHFFFAOYSA-N -2 0 359.385 0.925 20 0 FCADRL COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001610191431 1289418908 /nfs/dbraw/zinc/41/89/08/1289418908.db2.gz ZSHFHJGIGZTIKY-YFKPBYRVSA-N -2 0 366.298 0.212 20 0 FCADRL COC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001610219738 1289429786 /nfs/dbraw/zinc/42/97/86/1289429786.db2.gz WMYPQJOJVFDOKD-UHFFFAOYSA-N -2 0 354.344 0.409 20 0 FCADRL CO[C@H](C)CS(=O)(=O)[N-]c1cc(F)ccc1C(=O)N[C@@H](C)C(=O)[O-] ZINC001610225382 1289432363 /nfs/dbraw/zinc/43/23/63/1289432363.db2.gz QAUVEMQMELXBPU-BDAKNGLRSA-N -2 0 362.379 0.805 20 0 FCADRL CO[C@@](C)(CS(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])no1)c1ccccc1 ZINC001610227823 1289432479 /nfs/dbraw/zinc/43/24/79/1289432479.db2.gz ALXDMHYAHLCSRR-HNNXBMFYSA-N -2 0 368.367 0.994 20 0 FCADRL COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001610246632 1289437968 /nfs/dbraw/zinc/43/79/68/1289437968.db2.gz FNXQWZARYDNTGQ-JTQLQIEISA-N -2 0 367.383 0.665 20 0 FCADRL COc1cc(C(=O)[O-])cc(NC(=O)C(=O)[N-]OC2CCOCC2)c1OC ZINC001610283662 1289450420 /nfs/dbraw/zinc/45/04/20/1289450420.db2.gz JLYGQBRRVUSMAG-UHFFFAOYSA-N -2 0 368.342 0.567 20 0 FCADRL COc1ccc(-c2cc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])[nH]n2)cc1 ZINC001610309992 1289457548 /nfs/dbraw/zinc/45/75/48/1289457548.db2.gz FYKISUMPEKOBPP-UHFFFAOYSA-N -2 0 353.356 0.620 20 0 FCADRL COc1ccc(-n2cc([O-])c(C(=O)NCCn3cc(C(=O)[O-])nn3)n2)cc1 ZINC001610312048 1289457757 /nfs/dbraw/zinc/45/77/57/1289457757.db2.gz GFVUPVKRAQTPGJ-UHFFFAOYSA-N -2 0 372.341 0.306 20 0 FCADRL COc1ccc(C(=O)CCCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1 ZINC001610314034 1289458836 /nfs/dbraw/zinc/45/88/36/1289458836.db2.gz LPZNQSALSMVYHA-SNVBAGLBSA-N -2 0 357.384 0.967 20 0 FCADRL COc1ccc(CCCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c(OC)c1 ZINC001610331635 1289461187 /nfs/dbraw/zinc/46/11/87/1289461187.db2.gz LMFFFARBXCTLIK-SNVBAGLBSA-N -2 0 359.400 0.946 20 0 FCADRL COc1ccc(CNS(=O)(=O)c2csnc2C(=O)[O-])c(OC)n1 ZINC001610335711 1289462210 /nfs/dbraw/zinc/46/22/10/1289462210.db2.gz MUUDABMIQCAPJQ-UHFFFAOYSA-N -2 0 359.385 0.732 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c(CC(=O)[O-])c1 ZINC001610345620 1289466697 /nfs/dbraw/zinc/46/66/97/1289466697.db2.gz WIWQRTKRQNQBJM-GXSJLCMTSA-N -2 0 357.384 0.854 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C)n(C)n2)c(CC(=O)[O-])c1 ZINC001610345781 1289466771 /nfs/dbraw/zinc/46/67/71/1289466771.db2.gz DOYLHTAGOXRUSR-UHFFFAOYSA-N -2 0 367.383 0.483 20 0 FCADRL COc1cccc(OC)c1CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001610358504 1289468943 /nfs/dbraw/zinc/46/89/43/1289468943.db2.gz HKLWOFWKMKCEIR-UHFFFAOYSA-N -2 0 359.400 0.803 20 0 FCADRL COc1ccccc1CC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001610364785 1289470112 /nfs/dbraw/zinc/47/01/12/1289470112.db2.gz OGKRTUPOVYDUGH-UHFFFAOYSA-N -2 0 356.400 0.395 20 0 FCADRL COc1ccccc1[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(=O)[O-] ZINC001610363826 1289470266 /nfs/dbraw/zinc/47/02/66/1289470266.db2.gz UYRKKEYIIFBXSW-GFCCVEGCSA-N -2 0 354.340 0.826 20 0 FCADRL C[C@@H](O)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)C(=O)[O-] ZINC001610391046 1289478526 /nfs/dbraw/zinc/47/85/26/1289478526.db2.gz GGQJBLVPMFAJBC-MOFOKWOHSA-N -2 0 372.182 0.804 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cnn1CC(C)C ZINC001610407426 1289480625 /nfs/dbraw/zinc/48/06/25/1289480625.db2.gz AUTVLVJKQGXSQW-UHFFFAOYSA-N -2 0 372.447 0.619 20 0 FCADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)NCCOCC(=O)[O-] ZINC001610416618 1289482933 /nfs/dbraw/zinc/48/29/33/1289482933.db2.gz XBQCJTMRZKGARI-UHFFFAOYSA-N -2 0 351.764 0.726 20 0 FCADRL Cc1cc(F)c(S(=O)(=O)N[C@@H](C(=O)[O-])c2cnn(C)c2)cc1C(=O)[O-] ZINC001610471767 1289492375 /nfs/dbraw/zinc/49/23/75/1289492375.db2.gz ZBXXBXBHSVLENM-GFCCVEGCSA-N -2 0 371.346 0.670 20 0 FCADRL Cc1cccc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)[O-])c1C(=O)[O-] ZINC001610526225 1289501657 /nfs/dbraw/zinc/50/16/57/1289501657.db2.gz YZAQMZLQJGSOLR-QWRGUYRKSA-N -2 0 357.384 0.851 20 0 FCADRL Cc1cccc(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)c1C(=O)[O-] ZINC001610525384 1289501810 /nfs/dbraw/zinc/50/18/10/1289501810.db2.gz VYCLQWYAYUBDBC-GWCFXTLKSA-N -2 0 357.384 0.539 20 0 FCADRL Cc1cn2ccnc(C(=O)[N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)c2n1 ZINC001610538310 1289503101 /nfs/dbraw/zinc/50/31/01/1289503101.db2.gz CGJNFFVTSPHKPZ-UHFFFAOYSA-N -2 0 366.380 0.916 20 0 FCADRL Cc1nc(COc2ccccc2C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])no1 ZINC001610556151 1289509146 /nfs/dbraw/zinc/50/91/46/1289509146.db2.gz YGUJBSABKYVTGI-QMMMGPOBSA-N -2 0 369.355 0.490 20 0 FCADRL Cc1sc(=O)n(CCC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])c1C ZINC001610590190 1289519528 /nfs/dbraw/zinc/51/95/28/1289519528.db2.gz QVGNVDOTLBSLGX-OIBJUYFYSA-N -2 0 364.445 0.472 20 0 FCADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C(=O)c2cnn3c2CCC3)c1F ZINC001610701956 1289560222 /nfs/dbraw/zinc/56/02/22/1289560222.db2.gz PALJUJJIEUTYGU-UHFFFAOYSA-N -2 0 371.321 0.924 20 0 FCADRL O=C([O-])[C@@H]1CN(C(=O)C(=O)[N-]OCc2cccnc2)c2ccccc2O1 ZINC001610700455 1289560301 /nfs/dbraw/zinc/56/03/01/1289560301.db2.gz RYBJMJJDLCUKAX-AWEZNQCLSA-N -2 0 357.322 0.508 20 0 FCADRL O=C([O-])[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC001610723312 1289567946 /nfs/dbraw/zinc/56/79/46/1289567946.db2.gz QQDJTWQLWZUJFD-NSHDSACASA-N -2 0 365.777 0.747 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)CC1 ZINC001610755290 1289579419 /nfs/dbraw/zinc/57/94/19/1289579419.db2.gz IJEARYCRGHUWNE-UHFFFAOYSA-N -2 0 360.388 0.267 20 0 FCADRL O=C([O-])CCOc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])cc1 ZINC001610775887 1289587798 /nfs/dbraw/zinc/58/77/98/1289587798.db2.gz DDCIRANPAIBGFW-LLVKDONJSA-N -2 0 361.397 0.688 20 0 FCADRL O=C([O-])c1cc(Br)ccc1S(=O)(=O)NC[C@@H](F)C(=O)[O-] ZINC001610809080 1289599751 /nfs/dbraw/zinc/59/97/51/1289599751.db2.gz ALOYCNLMZYZWBM-SSDOTTSWSA-N -2 0 370.152 0.848 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@]3(CCOC3)C2)cs1 ZINC001610816241 1289600900 /nfs/dbraw/zinc/60/09/00/1289600900.db2.gz ZAAUQGRFGIWUIZ-RNCFNFMXSA-N -2 0 361.397 0.558 20 0 FCADRL O=C([O-])c1ccccc1CS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC001610853813 1289606923 /nfs/dbraw/zinc/60/69/23/1289606923.db2.gz FLWKCCAEEFAYDO-NWDGAFQWSA-N -3 0 371.367 0.322 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)c1noc2c1CCCC2 ZINC001610871341 1289614130 /nfs/dbraw/zinc/61/41/30/1289614130.db2.gz HQWJQEUSNIWYRV-UHFFFAOYSA-N -2 0 357.369 0.827 20 0 FCADRL O=C([O-])c1nsc([N-]C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)n1 ZINC001610873059 1289615839 /nfs/dbraw/zinc/61/58/39/1289615839.db2.gz NVIIUUDHMQUXSS-UHFFFAOYSA-N -2 0 372.384 0.866 20 0 FCADRL C=CCNC(=O)c1cccc(S(=O)(=O)[N-][N-]C(=O)c2cnccn2)c1 ZINC000055579879 835990619 /nfs/dbraw/zinc/99/06/19/835990619.db2.gz XMSPKALIJPHPEJ-UHFFFAOYSA-N -2 0 361.383 0.016 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CO[N-]C2=O)c(Cl)cc1Cl ZINC000093434810 836001291 /nfs/dbraw/zinc/00/12/91/836001291.db2.gz PDZYLHXGADNRGW-SSDOTTSWSA-N -2 0 355.155 0.400 20 0 FCADRL COC(=O)CCCS(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1[O-] ZINC000316775769 836035314 /nfs/dbraw/zinc/03/53/14/836035314.db2.gz FMXGMBCGLFFKOA-UHFFFAOYSA-N -2 0 351.402 0.491 20 0 FCADRL CN1C[C@]2(CCN(C(=O)c3ccccc3OP(=O)([O-])[O-])C2)OCC1=O ZINC001276295866 861396636 /nfs/dbraw/zinc/39/66/36/861396636.db2.gz JIBAJLBTWLIJKX-HNNXBMFYSA-N -2 0 370.298 0.231 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccccn1 ZINC001116684393 846736001 /nfs/dbraw/zinc/73/60/01/846736001.db2.gz DBKAPDSTGXDTFX-SECBINFHSA-N -2 0 371.396 0.819 20 0 FCADRL COC(=O)c1cncc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])n1 ZINC001148915391 849620732 /nfs/dbraw/zinc/62/07/32/849620732.db2.gz PIOJHCXJILMESK-UHFFFAOYSA-N -2 0 353.312 0.468 20 0 FCADRL Cn1[n-]c(C(=O)N[C@H](c2nnn[n-]2)c2ccc(Cl)c(F)c2)cc1=O ZINC001153820563 849758280 /nfs/dbraw/zinc/75/82/80/849758280.db2.gz OTYRTNSYMBHEPA-NSHDSACASA-N -2 0 351.729 0.951 20 0 FCADRL COC[C@H](NC(=O)c1cc(Br)cc(F)c1[O-])c1nnn[n-]1 ZINC001155068109 849827972 /nfs/dbraw/zinc/82/79/72/849827972.db2.gz FMDORSCAZIHLOS-QMMMGPOBSA-N -2 0 360.143 0.924 20 0 FCADRL CCOC(=O)[C@H]1CCCN(c2ccc(NCCOP(=O)([O-])[O-])nn2)C1 ZINC001157795870 849995419 /nfs/dbraw/zinc/99/54/19/849995419.db2.gz OWBJMHPRDFUUQY-NSHDSACASA-N -2 0 374.334 0.777 20 0 FCADRL CC1(C)NC(=O)N(Cc2ccc(NCCOP(=O)([O-])[O-])nc2)C1=O ZINC001157796067 849995882 /nfs/dbraw/zinc/99/58/82/849995882.db2.gz UWHOWIKEMPESFH-UHFFFAOYSA-N -2 0 358.291 0.433 20 0 FCADRL CS(=O)(=O)[N-]C(=O)Cc1ccc(Nc2cnn(CC(=O)[O-])c2)cc1 ZINC001176273234 850785211 /nfs/dbraw/zinc/78/52/11/850785211.db2.gz UTFXNUSTGNPVST-UHFFFAOYSA-N -2 0 352.372 0.330 20 0 FCADRL O=C(CN1C(=O)COc2ccc(Cl)cc21)NCCOP(=O)([O-])[O-] ZINC001180421627 851035048 /nfs/dbraw/zinc/03/50/48/851035048.db2.gz HHSYJPQRKQFHLZ-UHFFFAOYSA-N -2 0 364.678 0.291 20 0 FCADRL CC(C)(C)OC(=O)N1CCS[C@@H]1C(=O)NCCOP(=O)([O-])[O-] ZINC001180736735 851060433 /nfs/dbraw/zinc/06/04/33/851060433.db2.gz MBKWLDWKOJCEAX-SECBINFHSA-N -2 0 356.337 0.522 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2c3ncnc-3ncn2C)cc1C(=O)[O-] ZINC001185268833 851348237 /nfs/dbraw/zinc/34/82/37/851348237.db2.gz BCCAWTQETUOPIH-UHFFFAOYSA-N -2 0 363.355 0.823 20 0 FCADRL COC(=O)c1nn(C)cc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185269973 851348583 /nfs/dbraw/zinc/34/85/83/851348583.db2.gz WEAOUEASLOUWIK-UHFFFAOYSA-N -2 0 369.355 0.714 20 0 FCADRL COc1ccc(S(=O)(=O)NCCCC[P@@](=O)([O-])O)cc1C(=O)[O-] ZINC001185326629 851352498 /nfs/dbraw/zinc/35/24/98/851352498.db2.gz QQQOHSSOVNBKHX-UHFFFAOYSA-N -2 0 367.316 0.630 20 0 FCADRL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n(C)n1 ZINC001186144535 851415746 /nfs/dbraw/zinc/41/57/46/851415746.db2.gz YSJGWRQTNMIPMY-UHFFFAOYSA-N -2 0 357.319 0.845 20 0 FCADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)NCC[N-]C(=O)C(F)(F)F)c1 ZINC001187590220 851582232 /nfs/dbraw/zinc/58/22/32/851582232.db2.gz GOLLUXMXFNRFPO-UHFFFAOYSA-N -2 0 374.724 0.995 20 0 FCADRL CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2nccs2)cc1 ZINC001187847707 851614337 /nfs/dbraw/zinc/61/43/37/851614337.db2.gz NWERPXCUCRWXIE-UHFFFAOYSA-N -2 0 361.426 0.769 20 0 FCADRL O=C(CNC(=O)c1ccccc1OP(=O)([O-])[O-])NCC(F)(F)F ZINC001189898656 851838422 /nfs/dbraw/zinc/83/84/22/851838422.db2.gz FBTOGUFMSFTBGU-UHFFFAOYSA-N -2 0 356.193 0.566 20 0 FCADRL COc1cc(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)ncn1 ZINC001189914146 851841674 /nfs/dbraw/zinc/84/16/74/851841674.db2.gz DZODHYHOXJFWQR-UHFFFAOYSA-N -2 0 353.312 0.682 20 0 FCADRL Cc1cc(C)n(CCNC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)n1 ZINC001189913946 851842043 /nfs/dbraw/zinc/84/20/43/851842043.db2.gz HVRTWFHPEUIIFT-UHFFFAOYSA-N -2 0 367.383 0.875 20 0 FCADRL O=C([O-])c1cc(C(=O)N2CCc3n[nH]cc3C2)cc(S(=O)(=O)[O-])c1 ZINC001189924509 851844701 /nfs/dbraw/zinc/84/47/01/851844701.db2.gz YTERBRWILITZKG-UHFFFAOYSA-N -2 0 351.340 0.553 20 0 FCADRL Cc1noc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1C(N)=O ZINC001192682736 852275882 /nfs/dbraw/zinc/27/58/82/852275882.db2.gz CWNGGAGWSICXSH-UHFFFAOYSA-N -2 0 355.328 0.346 20 0 FCADRL NC(=O)c1ncccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192686782 852276666 /nfs/dbraw/zinc/27/66/66/852276666.db2.gz ZRZSEQMKNNDLBJ-UHFFFAOYSA-N -2 0 351.340 0.445 20 0 FCADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cnn3c2OCCC3)cc1 ZINC001192689674 852278495 /nfs/dbraw/zinc/27/84/95/852278495.db2.gz GJCADSBXKKMQKM-UHFFFAOYSA-N -2 0 353.356 0.930 20 0 FCADRL COc1nc(C(=O)NCCOP(=O)([O-])[O-])ccc1Br ZINC001195047421 852698104 /nfs/dbraw/zinc/69/81/04/852698104.db2.gz XBUCJIJUSMZLSO-UHFFFAOYSA-N -2 0 355.081 0.692 20 0 FCADRL Cn1cnc([N-]C(=O)c2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)n1 ZINC001195334442 852744492 /nfs/dbraw/zinc/74/44/92/852744492.db2.gz UZHKGRXSLZSVFN-UHFFFAOYSA-N -2 0 354.241 0.871 20 0 FCADRL CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cnc(C)n2C)cc1 ZINC001198344550 853252300 /nfs/dbraw/zinc/25/23/00/853252300.db2.gz UGUXMPUAIORJSJ-UHFFFAOYSA-N -2 0 372.428 0.354 20 0 FCADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ncnc2c1ncn2CCO ZINC001198740309 853310875 /nfs/dbraw/zinc/31/08/75/853310875.db2.gz CSJUHDLQNUUXNC-UHFFFAOYSA-N -2 0 363.355 0.318 20 0 FCADRL Cc1cccc(C)c1NC(=O)COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001205307477 853603125 /nfs/dbraw/zinc/60/31/25/853603125.db2.gz GDBWGGHIDYNTED-IINYFYTJSA-N -2 0 353.327 0.322 20 0 FCADRL O=C(OCc1ccc(-c2csnn2)cc1)[C@H](O)COP(=O)([O-])[O-] ZINC001206468614 853691261 /nfs/dbraw/zinc/69/12/61/853691261.db2.gz LRQRFHKHPRLNFN-LLVKDONJSA-N -2 0 360.284 0.719 20 0 FCADRL COc1ccc(CCOC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1OC ZINC001222286683 856822719 /nfs/dbraw/zinc/82/27/19/856822719.db2.gz LSFNTVLSWWLPNT-IINYFYTJSA-N -2 0 356.327 0.326 20 0 FCADRL COc1cccc(-c2nc(COC(=O)[C@H](O)COP(=O)([O-])[O-])no2)c1 ZINC001222946473 856884597 /nfs/dbraw/zinc/88/45/97/856884597.db2.gz DEKIQXYHWXEHHK-SNVBAGLBSA-N -2 0 374.242 0.259 20 0 FCADRL O=C([O-])C[C@@H](C(=O)OCCOc1ccc2c(c1)CCC2)[C@H](O)C(=O)[O-] ZINC001224303954 856977992 /nfs/dbraw/zinc/97/79/92/856977992.db2.gz GHGAMPRCUOGKBV-HIFRSBDPSA-N -2 0 352.339 0.634 20 0 FCADRL COC(=O)c1ccccc1CCOC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001224737992 856999641 /nfs/dbraw/zinc/99/96/41/856999641.db2.gz WRYQEFBZHCFTGF-YPMHNXCESA-N -2 0 354.311 0.095 20 0 FCADRL COc1cc(CCOC(=O)[C@H](O)COP(=O)([O-])[O-])cc(OC)c1 ZINC001224976297 857010856 /nfs/dbraw/zinc/01/08/56/857010856.db2.gz TZAXBVXPBNQRKS-GFCCVEGCSA-N -2 0 350.260 0.260 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@H]1COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225055262 857017175 /nfs/dbraw/zinc/01/71/75/857017175.db2.gz IXBOQWDNKYSDAW-ATZCPNFKSA-N -2 0 361.347 0.075 20 0 FCADRL COC(=O)c1ccc(Cl)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225382652 857037916 /nfs/dbraw/zinc/03/79/16/857037916.db2.gz QDRLHJRNXGPTCA-LDYMZIIASA-N -2 0 360.702 0.568 20 0 FCADRL COCc1cc(=O)oc2cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])ccc12 ZINC001225848703 857066380 /nfs/dbraw/zinc/06/63/80/857066380.db2.gz KYHJKUHOKKTCFK-LLVKDONJSA-N -2 0 374.238 0.315 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(-c2csnn2)cc1)[C@@H](O)C(=O)[O-] ZINC001226014244 857077364 /nfs/dbraw/zinc/07/73/64/857077364.db2.gz UIKJQYCDEKCWRJ-JOYOIKCWSA-N -2 0 352.324 0.647 20 0 FCADRL Cc1cc(Br)cnc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001226092089 857084597 /nfs/dbraw/zinc/08/45/97/857084597.db2.gz VFCGPOAPAWUFGL-CBAPKCEASA-N -2 0 362.132 0.594 20 0 FCADRL COc1ccc(Br)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001226150777 857086166 /nfs/dbraw/zinc/08/61/66/857086166.db2.gz UWCJBNVLFDLHOZ-SSDOTTSWSA-N -2 0 371.076 0.833 20 0 FCADRL Cc1ccc2oc(=O)cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2c1 ZINC001226161790 857086933 /nfs/dbraw/zinc/08/69/33/857086933.db2.gz MVTKDMQGWVWJDK-YMTOWFKASA-N -2 0 350.279 0.543 20 0 FCADRL Cc1cc(C(F)(F)F)ncc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001226406144 857103183 /nfs/dbraw/zinc/10/31/83/857103183.db2.gz WWAQPVTWMNTLBG-LHLIQPBNSA-N -2 0 351.233 0.851 20 0 FCADRL COc1ccc(Br)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1 ZINC001226548983 857108775 /nfs/dbraw/zinc/10/87/75/857108775.db2.gz GSAIOPJRYJDYHY-MRVPVSSYSA-N -2 0 371.076 0.833 20 0 FCADRL CC(=O)Nc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(Cl)c1 ZINC001226880092 857128683 /nfs/dbraw/zinc/12/86/83/857128683.db2.gz LZSTWLIJCPXSEV-PELKAZGASA-N -2 0 359.718 0.740 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ncnc2cnc(Cl)cc21)[C@H](O)C(=O)[O-] ZINC001226966515 857134786 /nfs/dbraw/zinc/13/47/86/857134786.db2.gz KFSFCKXYIOCKOL-WKEGUHRASA-N -2 0 355.690 0.120 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1nccc(C(F)(F)F)c1F)[C@H](O)C(=O)[O-] ZINC001227024074 857137482 /nfs/dbraw/zinc/13/74/82/857137482.db2.gz WFILZRNVCKEMOI-VHWMUFPASA-N -2 0 355.196 0.681 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1c(O)cccc1Br)[C@@H](O)C(=O)[O-] ZINC001227024934 857138458 /nfs/dbraw/zinc/13/84/58/857138458.db2.gz KSEFTMTTXICUGF-SSDLBLMSSA-N -2 0 363.116 0.597 20 0 FCADRL O=C([O-])C[C@H](O)C(=O)Oc1cc(S(=O)(=O)[O-])cc2ccc(O)cc21 ZINC001227669974 857169746 /nfs/dbraw/zinc/16/97/46/857169746.db2.gz YNOREDPXTJAFPT-NSHDSACASA-N -2 0 356.308 0.533 20 0 FCADRL Cc1ccnc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1Br ZINC001227903923 857183497 /nfs/dbraw/zinc/18/34/97/857183497.db2.gz HZNAMUFIDGTGIH-RCOVLWMOSA-N -2 0 362.132 0.594 20 0 FCADRL Cc1nc(Br)ccc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001228708040 857224750 /nfs/dbraw/zinc/22/47/50/857224750.db2.gz YBMABUJWSONCAO-ZCFIWIBFSA-N -2 0 356.065 0.528 20 0 FCADRL Cc1nc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2cccc(O)c2n1 ZINC001228833048 857232327 /nfs/dbraw/zinc/23/23/27/857232327.db2.gz SKHCZAWPHHINKE-PRHODGIISA-N -2 0 350.283 0.086 20 0 FCADRL COC(=O)c1sc(C)c(C)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228877614 857234013 /nfs/dbraw/zinc/23/40/13/857234013.db2.gz HXMAZBVEPNASCD-IONNQARKSA-N -2 0 360.340 0.593 20 0 FCADRL COC(=O)c1c(F)cc(F)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001228909434 857237109 /nfs/dbraw/zinc/23/71/09/857237109.db2.gz YCVQKOXZJCIKRA-SSDOTTSWSA-N -2 0 356.170 0.127 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(Br)c(F)n1)[C@H](O)C(=O)[O-] ZINC001229237688 857259909 /nfs/dbraw/zinc/25/99/09/857259909.db2.gz AOOOGWGSJJQIQA-NVNXEXLPSA-N -2 0 366.095 0.425 20 0 FCADRL CCC(=O)c1ccc(OC)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001229447958 857271342 /nfs/dbraw/zinc/27/13/42/857271342.db2.gz YGJFVQWPMWPXCM-IINYFYTJSA-N -2 0 354.311 0.730 20 0 FCADRL COc1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(C(C)=O)cc1OC ZINC001229498870 857272612 /nfs/dbraw/zinc/27/26/12/857272612.db2.gz UCUJLYKQYNQQLN-SECBINFHSA-N -2 0 364.243 0.282 20 0 FCADRL COC(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(Cl)c1 ZINC001229750335 857285431 /nfs/dbraw/zinc/28/54/31/857285431.db2.gz DYXFCOWGXDKVDJ-MRVPVSSYSA-N -2 0 354.635 0.502 20 0 FCADRL Cc1ncc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1Br ZINC001229890794 857291523 /nfs/dbraw/zinc/29/15/23/857291523.db2.gz MHAKLTBKKAYYIZ-GMSGAONNSA-N -2 0 362.132 0.594 20 0 FCADRL C[C@@H]1COCC[C@@H]1Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-] ZINC001230143290 857307597 /nfs/dbraw/zinc/30/75/97/857307597.db2.gz COJXHIBILQFDLO-XCBNKYQSSA-N -2 0 368.385 0.689 20 0 FCADRL COc1ccc(NC(C)=O)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001230391519 857332799 /nfs/dbraw/zinc/33/27/99/857332799.db2.gz QICIKUPHVPMVHG-TVQRCGJNSA-N -2 0 355.299 0.095 20 0 FCADRL Cc1nc2cc(Cl)ccc2c(OC(=O)[C@H](O)COP(=O)([O-])[O-])n1 ZINC001230800486 857347484 /nfs/dbraw/zinc/34/74/84/857347484.db2.gz BHZQOLPVXJEUPL-SNVBAGLBSA-N -2 0 362.662 0.967 20 0 FCADRL COc1ccc2c(c1)ncnc2OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001230868655 857350348 /nfs/dbraw/zinc/35/03/48/857350348.db2.gz VMAIANSZBWAQHJ-BXKDBHETSA-N -2 0 350.283 0.080 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cnc(F)c(Br)c1)[C@@H](O)C(=O)[O-] ZINC001233670640 857389307 /nfs/dbraw/zinc/38/93/07/857389307.db2.gz PPAQJYFFSXDOKM-YLWLKBPMSA-N -2 0 366.095 0.425 20 0 FCADRL COC(=O)c1c(F)cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1F ZINC001233912933 857391648 /nfs/dbraw/zinc/39/16/48/857391648.db2.gz IKAZNYYDIGLQPX-MRVPVSSYSA-N -2 0 356.170 0.127 20 0 FCADRL COC(=O)c1c(F)ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1F ZINC001234675831 857411964 /nfs/dbraw/zinc/41/19/64/857411964.db2.gz FKUDWWGPSPUULN-ZCFIWIBFSA-N -2 0 356.170 0.127 20 0 FCADRL CS(=O)(=O)[N-]C(=O)Cc1ccc([N-]S(=O)(=O)CC(F)(F)F)cc1 ZINC001253198535 857872132 /nfs/dbraw/zinc/87/21/32/857872132.db2.gz JFZQEZXMFBTHOB-UHFFFAOYSA-N -2 0 374.362 0.609 20 0 FCADRL NC(=O)c1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cn1 ZINC001259213573 858248448 /nfs/dbraw/zinc/24/84/48/858248448.db2.gz BIEPUOVMZJGMFM-UHFFFAOYSA-N -2 0 374.737 0.867 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@H]2SC(=O)[N-]C2=O)c(F)cc1Cl ZINC001259221319 858249388 /nfs/dbraw/zinc/24/93/88/858249388.db2.gz BAOZBIBWTOOQMI-QMMMGPOBSA-N -2 0 368.751 0.765 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ncnc3c2ncn3CCO)c1 ZINC001260183874 858351494 /nfs/dbraw/zinc/35/14/94/858351494.db2.gz GDINRIGYXMVZPL-UHFFFAOYSA-N -2 0 363.355 0.318 20 0 FCADRL CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(O)c2)s1 ZINC001260708700 858417198 /nfs/dbraw/zinc/41/71/98/858417198.db2.gz VEIGGGITEPQJIF-UHFFFAOYSA-N -2 0 356.385 0.707 20 0 FCADRL COCc1noc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1 ZINC001329926002 872367628 /nfs/dbraw/zinc/36/76/28/872367628.db2.gz PUVBRBPNRCZPHO-OIBJUYFYSA-N -2 0 366.296 0.312 20 0 FCADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001332148572 873392606 /nfs/dbraw/zinc/39/26/06/873392606.db2.gz MSZCRZGFZQHIDA-BBBLOLIVSA-N -2 0 352.309 0.647 20 0 FCADRL CNC(=O)C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000322609598 970909445 /nfs/dbraw/zinc/90/94/45/970909445.db2.gz KKWVFYGVZRIIOO-YFKPBYRVSA-N -2 0 369.193 0.543 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])cn1 ZINC000322777732 970928374 /nfs/dbraw/zinc/92/83/74/970928374.db2.gz HVSIGKJUMHCJIG-UHFFFAOYSA-N -2 0 358.401 0.498 20 0 FCADRL O=Cc1cc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])co1 ZINC001595295502 950125356 /nfs/dbraw/zinc/12/53/56/950125356.db2.gz OZDPGYFNDXJNQU-ZJUUUORDSA-N -2 0 362.260 0.828 20 0 FCADRL C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CC[C@@H]1C(=O)[O-] ZINC001589393249 954348379 /nfs/dbraw/zinc/34/83/79/954348379.db2.gz WIXQQGQSQQQUFT-PWSUYJOCSA-N -2 0 370.427 0.825 20 0 FCADRL O=C([O-])[C@H]1CC(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)=NN1c1ccccc1 ZINC001594902351 954645911 /nfs/dbraw/zinc/64/59/11/954645911.db2.gz YTFYHHKACIGMDF-ZWNOBZJWSA-N -2 0 355.358 0.235 20 0 FCADRL CNc1ccc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])nc1 ZINC001593803407 954865812 /nfs/dbraw/zinc/86/58/12/954865812.db2.gz XZXORHOYGMYDQP-GXSJLCMTSA-N -2 0 374.319 0.860 20 0 FCADRL C[C@@H](CC(=O)[O-])NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC001589001310 955327280 /nfs/dbraw/zinc/32/72/80/955327280.db2.gz ISFWSFOCERVIHB-JTQLQIEISA-N -2 0 356.400 0.770 20 0 FCADRL COC(=O)CC[C@H](NS(=O)(=O)c1cn(C)nc1C(F)(F)F)C(=O)[O-] ZINC001593849848 955444982 /nfs/dbraw/zinc/44/49/82/955444982.db2.gz KWVCOIQJJOQGTP-LURJTMIESA-N -2 0 373.309 0.124 20 0 FCADRL O=C([O-])[C@H]1C[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c2ccccc21 ZINC001594714805 956913338 /nfs/dbraw/zinc/91/33/38/956913338.db2.gz MYZLYXDWQHLZSK-AAEUAGOBSA-N -2 0 353.338 0.501 20 0 FCADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)c1cnc(C(=O)[O-])cn1 ZINC001594098123 958415655 /nfs/dbraw/zinc/41/56/55/958415655.db2.gz DTYNRIKXLGIQJT-UHFFFAOYSA-N -2 0 371.758 0.956 20 0 FCADRL CC(=O)NCCN(C(=O)c1ncc(Br)cc1[O-])[C@@H](C)C(=O)[O-] ZINC001573349563 958560670 /nfs/dbraw/zinc/56/06/70/958560670.db2.gz ROQCEFXYRHPESG-ZETCQYMHSA-N -2 0 374.191 0.601 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N[C@H](C(=O)[O-])c2ccnn2C)c1 ZINC001594131381 958674151 /nfs/dbraw/zinc/67/41/51/958674151.db2.gz FRJPQRVGXYDFEU-BSEYFRJRSA-N -2 0 351.384 0.478 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001594171600 959005624 /nfs/dbraw/zinc/00/56/24/959005624.db2.gz STDQXBASCZTWQT-VFZGTOFNSA-N -2 0 372.374 0.370 20 0 FCADRL C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC001574273975 960616349 /nfs/dbraw/zinc/61/63/49/960616349.db2.gz UFDYCELJZNNWLN-BXKDBHETSA-N -2 0 356.400 0.720 20 0 FCADRL Cn1nc(C(=O)[O-])cc1C(=O)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC001574464918 961562199 /nfs/dbraw/zinc/56/21/99/961562199.db2.gz FUEXSZOBLVJPKD-SNVBAGLBSA-N -2 0 356.342 0.656 20 0 FCADRL CCn1ncc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1 ZINC001573972227 961743099 /nfs/dbraw/zinc/74/30/99/961743099.db2.gz OSAYIWWWDSQRHC-CBAPKCEASA-N -2 0 363.296 0.034 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1c(F)cccc1Br)C(=O)[O-] ZINC001342989035 962151371 /nfs/dbraw/zinc/15/13/71/962151371.db2.gz CZJHZJPQWGPZDM-ZETCQYMHSA-N -2 0 370.152 0.794 20 0 FCADRL O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)c3ccc4oc(=O)nc-4[n-]3)CC2)C1 ZINC001574649340 962414170 /nfs/dbraw/zinc/41/41/70/962414170.db2.gz ZBOUZQXQASSKPU-SECBINFHSA-N -2 0 374.353 0.466 20 0 FCADRL O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC001605837454 972572162 /nfs/dbraw/zinc/57/21/62/972572162.db2.gz NKYMWDIALBAMRI-PHIMTYICSA-N -2 0 368.411 0.770 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3C[C@H](C(=O)[O-])CC[C@@H]3C)cc2=O)n1 ZINC001605158555 972854194 /nfs/dbraw/zinc/85/41/94/972854194.db2.gz XICHNFCMEPPWFE-NWDGAFQWSA-N -2 0 359.386 0.898 20 0 FCADRL COC(=O)CCN(CC(=O)[O-])C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001604311471 972970258 /nfs/dbraw/zinc/97/02/58/972970258.db2.gz UFDIMPWUCCMYQC-UHFFFAOYSA-N -2 0 365.317 0.807 20 0 FCADRL O=C([O-])CN1CCC[C@@H](C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)C1=O ZINC001606253420 973575256 /nfs/dbraw/zinc/57/52/56/973575256.db2.gz QVEONRADDJIXJX-NSHDSACASA-N -2 0 360.326 0.292 20 0 FCADRL Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)c3ccc4oc(=O)nc-4[n-]3)C2)cn1 ZINC001605489826 973637077 /nfs/dbraw/zinc/63/70/77/973637077.db2.gz HPGSVYPOGCWJJQ-ZJUUUORDSA-N -2 0 371.353 0.992 20 0 FCADRL C[C@@H](CN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C1CC1)C(=O)[O-] ZINC001592562814 978451756 /nfs/dbraw/zinc/45/17/56/978451756.db2.gz NHRFOHKLXIBCQN-JTQLQIEISA-N -2 0 370.427 0.968 20 0 FCADRL C[C@@H](CNC(=O)C(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1)C(=O)[O-] ZINC001592630742 978611761 /nfs/dbraw/zinc/61/17/61/978611761.db2.gz UVHVXIJWVDRXCN-IUCAKERBSA-N -2 0 369.399 0.384 20 0 FCADRL C[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(=O)[O-] ZINC001592716343 979216319 /nfs/dbraw/zinc/21/63/19/979216319.db2.gz QWQLZWIXMCPODI-SCSAIBSYSA-N -2 0 356.150 0.739 20 0 FCADRL C[C@@](CO)(NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)C(=O)[O-] ZINC001592741598 979276136 /nfs/dbraw/zinc/27/61/36/979276136.db2.gz IDZFWYILUUDZSA-HNNXBMFYSA-N -2 0 351.384 0.027 20 0 FCADRL CCC(CC)(CNC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C)C(=O)[O-] ZINC001595064921 979329201 /nfs/dbraw/zinc/32/92/01/979329201.db2.gz XCNFJYSCGNZRQB-UHFFFAOYSA-N -2 0 354.363 0.222 20 0 FCADRL C[C@@H](CS(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])C(=O)[O-] ZINC001592815888 979512054 /nfs/dbraw/zinc/51/20/54/979512054.db2.gz LJBCYBWYFYPGIM-TVQRCGJNSA-N -2 0 354.384 0.804 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)C1=O ZINC001595371744 980854674 /nfs/dbraw/zinc/85/46/74/980854674.db2.gz MJKCDMMOTXYLTG-CQSZACIVSA-N -2 0 373.362 0.746 20 0 FCADRL CCCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])C1 ZINC001595523786 981349969 /nfs/dbraw/zinc/34/99/69/981349969.db2.gz SKFGQTKZPJHRNM-TUAOUCFPSA-N -2 0 362.448 0.580 20 0 FCADRL CCC[C@](C)(NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)[O-] ZINC001595566741 981463866 /nfs/dbraw/zinc/46/38/66/981463866.db2.gz SWHZTVJRBBHYBT-HNNXBMFYSA-N -2 0 372.399 0.423 20 0 FCADRL CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1=O ZINC001595896632 982941890 /nfs/dbraw/zinc/94/18/90/982941890.db2.gz MYSSJSDWJXDFDE-NSHDSACASA-N -2 0 354.384 0.448 20 0 FCADRL CCCc1c(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])[nH]c(C)c1C(=O)OC ZINC001596045912 983337303 /nfs/dbraw/zinc/33/73/03/983337303.db2.gz WKPHKFHYLXDQMA-MRVPVSSYSA-N -2 0 360.388 0.595 20 0 FCADRL CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1CC=C(C(=O)[O-])C1 ZINC001596587885 984523024 /nfs/dbraw/zinc/52/30/24/984523024.db2.gz ZFUCIMZJTWHXON-IUCAKERBSA-N -2 0 359.322 0.963 20 0 FCADRL CCOC(=O)Cn1nc(C)cc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001596640513 984634780 /nfs/dbraw/zinc/63/47/80/984634780.db2.gz RFQPWMCNRKVTPV-UHFFFAOYSA-N -2 0 374.400 0.710 20 0 FCADRL CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001596647204 984663214 /nfs/dbraw/zinc/66/32/14/984663214.db2.gz UVLXGUSAPVXIPD-UHFFFAOYSA-N -2 0 374.371 0.658 20 0 FCADRL C[C@H](O)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(=O)[O-] ZINC001599904809 984907938 /nfs/dbraw/zinc/90/79/38/984907938.db2.gz GISLAZJDZFPDTD-IGJIYHIXSA-N -2 0 355.727 0.290 20 0 FCADRL CC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1)C(=O)[O-] ZINC001589030410 985060989 /nfs/dbraw/zinc/06/09/89/985060989.db2.gz TVTNPSVZNNBWDE-GFCCVEGCSA-N -2 0 357.384 0.759 20 0 FCADRL CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)n[n-]1 ZINC001596748487 985077221 /nfs/dbraw/zinc/07/72/21/985077221.db2.gz GIMLWLROYUUGCP-GARJFASQSA-N -2 0 368.390 0.817 20 0 FCADRL CC(=O)N1CCC(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)CC1 ZINC001589061346 985184894 /nfs/dbraw/zinc/18/48/94/985184894.db2.gz YKPOVVTWAFTCTB-UHFFFAOYSA-N -2 0 358.372 0.350 20 0 FCADRL CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)C1 ZINC001589066819 985204398 /nfs/dbraw/zinc/20/43/98/985204398.db2.gz UXXHUFFCENTEOJ-SNVBAGLBSA-N -2 0 358.372 0.350 20 0 FCADRL CC(=O)N1Cc2ccc(S(=O)(=O)[N-]c3c(C(=O)[O-])cnn3C)cc2C1 ZINC001589097935 985297825 /nfs/dbraw/zinc/29/78/25/985297825.db2.gz SBXLHCIZQROGBB-UHFFFAOYSA-N -2 0 364.383 0.781 20 0 FCADRL CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C(C)(C)C ZINC001589165949 985509138 /nfs/dbraw/zinc/50/91/38/985509138.db2.gz YUCGVRACMFMURW-LLVKDONJSA-N -2 0 360.388 0.642 20 0 FCADRL Cc1[nH]c(C([O-])=CS(=O)(=O)Cc2nc(N(C)C)no2)c(C)c1C(=O)[O-] ZINC001599948271 985566150 /nfs/dbraw/zinc/56/61/50/985566150.db2.gz ZTHZPHGNEWEFFE-UHFFFAOYSA-N -2 0 370.387 0.576 20 0 FCADRL CCOCC(=O)[N-]S(=O)(=O)c1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC001596860338 985624446 /nfs/dbraw/zinc/62/44/46/985624446.db2.gz ATQSFKDUOJHLEG-UHFFFAOYSA-N -2 0 365.385 0.383 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])nnn1-c1ccccc1 ZINC001599982122 986178157 /nfs/dbraw/zinc/17/81/57/986178157.db2.gz KQWOEFSNWKVHAK-GXSJLCMTSA-N -2 0 366.399 0.745 20 0 FCADRL CCO[N-]C(=O)CNC(=O)N1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001596968382 986182744 /nfs/dbraw/zinc/18/27/44/986182744.db2.gz KXOHMBZAXKQVHS-UHFFFAOYSA-N -2 0 356.404 0.346 20 0 FCADRL C[C@@H](C(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001589339978 986243967 /nfs/dbraw/zinc/24/39/67/986243967.db2.gz PVKOCHFFDDKGOS-JTQLQIEISA-N -2 0 351.384 0.929 20 0 FCADRL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1cnn(C)c1 ZINC001589424385 986691711 /nfs/dbraw/zinc/69/17/11/986691711.db2.gz UVWQJPXFYJIEPQ-SNVBAGLBSA-N -2 0 351.384 0.868 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnc2)cc1 ZINC001589450148 986837281 /nfs/dbraw/zinc/83/72/81/986837281.db2.gz AYOWHZWNWOKFGV-WDEREUQCSA-N -2 0 366.399 0.365 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC001589450225 986838482 /nfs/dbraw/zinc/83/84/82/986838482.db2.gz BUSMZQNQIUOBJH-WPMGSTCASA-N -2 0 374.459 0.627 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC001589451520 986846205 /nfs/dbraw/zinc/84/62/05/986846205.db2.gz IUDYBFRXVXGCHO-YNEHKIRRSA-N -2 0 368.455 0.988 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(-n2cccn2)cc1 ZINC001589452649 986849553 /nfs/dbraw/zinc/84/95/53/986849553.db2.gz LZXWBIAFZRCJGN-NEPJUHHUSA-N -2 0 365.411 0.970 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CSCc1cscn1 ZINC001589452723 986850960 /nfs/dbraw/zinc/85/09/60/986850960.db2.gz MRCRWUPTHJSNMQ-SFYZADRCSA-N -2 0 352.459 0.932 20 0 FCADRL CCOc1ccc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1C(=O)[O-] ZINC001597133840 986862991 /nfs/dbraw/zinc/86/29/91/986862991.db2.gz HDOJLTIZVZNIJH-SNVBAGLBSA-N -2 0 373.383 0.648 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C(=O)NC2CC2)c1 ZINC001589454339 986876735 /nfs/dbraw/zinc/87/67/35/986876735.db2.gz NSEHQDIIGCQPOJ-VHSXEESVSA-N -2 0 368.411 0.748 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccnc(NC(=O)C2CC2)c1 ZINC001589454531 986880782 /nfs/dbraw/zinc/88/07/82/986880782.db2.gz OUMLSQOMCNNBPK-IUCAKERBSA-N -2 0 369.399 0.599 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC001589454984 986889246 /nfs/dbraw/zinc/88/92/46/986889246.db2.gz TXMVKUPKVXGIMT-YUMQZZPRSA-N -2 0 355.372 0.448 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)CC1CCCCC1 ZINC001589455066 986890073 /nfs/dbraw/zinc/89/00/73/986890073.db2.gz ZFPQWFSSSVHOPV-MNOVXSKESA-N -2 0 362.448 0.628 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1nnn(-c2ccccc2)c1C(F)F ZINC001589490680 987055504 /nfs/dbraw/zinc/05/55/04/987055504.db2.gz DISZZBGEHCNLBR-SSDOTTSWSA-N -2 0 374.325 0.738 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001589491041 987057112 /nfs/dbraw/zinc/05/71/12/987057112.db2.gz HCICWHRCFMLLSO-JTQLQIEISA-N -2 0 370.427 0.633 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001589491115 987057495 /nfs/dbraw/zinc/05/74/95/987057495.db2.gz HOQMIDHIRSJRDE-IMSYWVGJSA-N -2 0 362.404 0.018 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC001589492017 987061492 /nfs/dbraw/zinc/06/14/92/987061492.db2.gz PTCACQUHJKDXBD-ZETCQYMHSA-N -2 0 363.775 0.573 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)COc1ccc(Br)cc1 ZINC001589492826 987066304 /nfs/dbraw/zinc/06/63/04/987066304.db2.gz ZEOOMQSLRULIOA-SSDOTTSWSA-N -2 0 366.189 0.747 20 0 FCADRL CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)cc1 ZINC001597239740 987209618 /nfs/dbraw/zinc/20/96/18/987209618.db2.gz KOBVHNRUCLKEHC-UHFFFAOYSA-N -2 0 371.396 0.769 20 0 FCADRL CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-] ZINC001597288698 987372671 /nfs/dbraw/zinc/37/26/71/987372671.db2.gz NLVVUEOIMLBHSH-LPEHRKFASA-N -2 0 366.436 0.845 20 0 FCADRL CSCC[C@@H](NS(=O)(=O)c1ccc(CC(=O)[O-])s1)C(=O)[O-] ZINC001599794040 988062003 /nfs/dbraw/zinc/06/20/03/988062003.db2.gz JEZDNLKCEGYLIY-MRVPVSSYSA-N -2 0 353.443 0.860 20 0 FCADRL CCc1ccccc1N1C[C@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])CC1=O ZINC001597611921 988512949 /nfs/dbraw/zinc/51/29/49/988512949.db2.gz TWBJMZVSNVGROO-LLVKDONJSA-N -2 0 354.384 0.133 20 0 FCADRL CCc1ccccc1N1C[C@@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])CC1=O ZINC001597611924 988513401 /nfs/dbraw/zinc/51/34/01/988513401.db2.gz TWBJMZVSNVGROO-NSHDSACASA-N -2 0 354.384 0.133 20 0 FCADRL CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001589919367 988646627 /nfs/dbraw/zinc/64/66/27/988646627.db2.gz ABIGQIHWAGYGEP-SECBINFHSA-N -2 0 350.393 0.163 20 0 FCADRL CCc1nocc1C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001597754785 989162959 /nfs/dbraw/zinc/16/29/59/989162959.db2.gz MUWYXABYPLIQNW-UHFFFAOYSA-N -2 0 368.367 0.991 20 0 FCADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC001597778094 989254437 /nfs/dbraw/zinc/25/44/37/989254437.db2.gz OBMRBOHPFUZZQJ-RFAUZJTJSA-N -2 0 373.383 0.652 20 0 FCADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001597784121 989288776 /nfs/dbraw/zinc/28/87/76/989288776.db2.gz FFJJRNNYXUKMQR-UHFFFAOYSA-N -2 0 361.372 0.700 20 0 FCADRL CC(C)(C)OC(=O)NCC(F)(F)CC(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001590155118 989463945 /nfs/dbraw/zinc/46/39/45/989463945.db2.gz YGLJRBTYSRTKGD-UHFFFAOYSA-N -2 0 360.335 0.067 20 0 FCADRL CC(C)(C)OC(=O)NCC1(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])CC1 ZINC001590163172 989471923 /nfs/dbraw/zinc/47/19/23/989471923.db2.gz PSHKYTMIKNETCQ-UHFFFAOYSA-N -2 0 350.393 0.212 20 0 FCADRL CC(C)(C)OC(=O)NCC1(CC(=O)[N-]S(=O)(=O)CCC(=O)[O-])CC1 ZINC001590164910 989479227 /nfs/dbraw/zinc/47/92/27/989479227.db2.gz JAEGUWHHFSGCOL-UHFFFAOYSA-N -2 0 364.420 0.602 20 0 FCADRL CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@]1(CC(=O)[O-])CCCOC1 ZINC001590429460 989980997 /nfs/dbraw/zinc/98/09/97/989980997.db2.gz JTZGHTFQBGVGGE-QKVFXAPYSA-N -2 0 356.466 0.741 20 0 FCADRL CC(C)(C)c1cc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])[nH]n1 ZINC001590454199 990021677 /nfs/dbraw/zinc/02/16/77/990021677.db2.gz OZCHHENQTPEMIO-UHFFFAOYSA-N -2 0 358.401 0.981 20 0 FCADRL CN(C)C(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001598110203 990502970 /nfs/dbraw/zinc/50/29/70/990502970.db2.gz PVVPHPQFNCTZMR-NSHDSACASA-N -2 0 367.383 0.351 20 0 FCADRL CC(C)(CS(=O)(=O)N[C@@H](Cc1c[nH]c2ncccc12)C(=O)[O-])C(=O)[O-] ZINC001590798957 990626126 /nfs/dbraw/zinc/62/61/26/990626126.db2.gz INRKCWYGEVQASW-NSHDSACASA-N -2 0 369.399 0.589 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1cccc(-n2cccn2)n1)C(=O)[O-] ZINC001590798960 990626141 /nfs/dbraw/zinc/62/61/41/990626141.db2.gz IPKSPVKYAGXKKO-UHFFFAOYSA-N -2 0 352.372 0.438 20 0 FCADRL CC(C)(CS(=O)(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-])C(=O)[O-] ZINC001590802760 990632694 /nfs/dbraw/zinc/63/26/94/990632694.db2.gz GEPMWUVAOQZWCE-LLVKDONJSA-N -2 0 363.363 0.688 20 0 FCADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1 ZINC001599683794 990954260 /nfs/dbraw/zinc/95/42/60/990954260.db2.gz ZASNBGBAQHHVKG-QFIPXVFZSA-N -3 0 363.413 0.114 20 0 FCADRL CC(C)[C@@H](CNC(=O)C(=O)NCCc1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC001590982184 991146798 /nfs/dbraw/zinc/14/67/98/991146798.db2.gz GEUDRVFUKPTMTQ-CYBMUJFWSA-N -2 0 350.371 0.517 20 0 FCADRL CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)C(=O)[O-] ZINC001590982436 991151310 /nfs/dbraw/zinc/15/13/10/991151310.db2.gz OAVRVEAEELZVCS-NWDGAFQWSA-N -2 0 356.419 0.809 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c1 ZINC001598277187 991159124 /nfs/dbraw/zinc/15/91/24/991159124.db2.gz SGRNFWUQMCEJGE-PWSUYJOCSA-N -2 0 356.400 0.626 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])c1 ZINC001598277189 991159465 /nfs/dbraw/zinc/15/94/65/991159465.db2.gz SGRNFWUQMCEJGE-ZYHUDNBSSA-N -2 0 356.400 0.626 20 0 FCADRL COc1ccccc1[C@H](C)NC(=O)CS(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001599697810 991174173 /nfs/dbraw/zinc/17/41/73/991174173.db2.gz IQXDFODFSJTWNB-VIFPVBQESA-N -2 0 367.383 0.768 20 0 FCADRL CN(C)c1cc(C(=O)[O-])ccc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001598293807 991211781 /nfs/dbraw/zinc/21/17/81/991211781.db2.gz QICLJKKIBFMKDU-UHFFFAOYSA-N -2 0 356.342 0.474 20 0 FCADRL COc1ccccc1C[C@@H](CNC(=O)c1c[n-]n2c1nccc2=O)C(=O)[O-] ZINC001599707307 991312786 /nfs/dbraw/zinc/31/27/86/991312786.db2.gz LTKROLGVENISTJ-LBPRGKRZSA-N -2 0 370.365 0.705 20 0 FCADRL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(C(N)=O)c1 ZINC001598325801 991343354 /nfs/dbraw/zinc/34/33/54/991343354.db2.gz PWJDHSKFQJZAIU-UHFFFAOYSA-N -2 0 353.356 0.944 20 0 FCADRL CN(CC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-])[C@H]1CCSC1 ZINC001598396551 991659855 /nfs/dbraw/zinc/65/98/55/991659855.db2.gz LPSNQRMQYHGVPV-ZETCQYMHSA-N -2 0 365.458 0.084 20 0 FCADRL CS(=O)(=O)Cc1ccccc1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001599753371 992020135 /nfs/dbraw/zinc/02/01/35/992020135.db2.gz NPCSPTPULWOLST-UHFFFAOYSA-N -2 0 359.385 0.453 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001599761039 992122994 /nfs/dbraw/zinc/12/29/94/992122994.db2.gz LUXFCFNGMNNKRE-WPRPVWTQSA-N -2 0 366.317 0.893 20 0 FCADRL CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])ccc1F ZINC001599765395 992176864 /nfs/dbraw/zinc/17/68/64/992176864.db2.gz LDWUAXODTGUEQA-UHFFFAOYSA-N -2 0 367.376 0.154 20 0 FCADRL CC(C)C[C@H](CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)CC(=O)[O-] ZINC001591448640 992553207 /nfs/dbraw/zinc/55/32/07/992553207.db2.gz POGKHVQNZVWSQL-FPMFFAJLSA-N -2 0 368.430 0.809 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)cc1=O ZINC001591504910 992648718 /nfs/dbraw/zinc/64/87/18/992648718.db2.gz CJSHLKJWFPZZTP-YNAXMUEKSA-N -2 0 365.430 0.904 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)N[C@H](CCC2OCCO2)C(=O)[O-])cc1=O ZINC001591505679 992651442 /nfs/dbraw/zinc/65/14/42/992651442.db2.gz KEVCYBKWHBMFEC-GFCCVEGCSA-N -2 0 355.391 0.097 20 0 FCADRL COc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c(C(=O)[O-])c1 ZINC001599586169 993616131 /nfs/dbraw/zinc/61/61/31/993616131.db2.gz NNZHJTHEJSCHPJ-SKDRFNHKSA-N -2 0 364.354 0.901 20 0 FCADRL C[C@H](NC(=O)NCCn1cc(C(=O)[O-])nn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593098780 993727291 /nfs/dbraw/zinc/72/72/91/993727291.db2.gz OCKFOOPJRYYUMB-LPEHRKFASA-N -2 0 353.379 0.411 20 0 FCADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cnc(C(=O)[O-])cn1 ZINC001599599691 993797375 /nfs/dbraw/zinc/79/73/75/993797375.db2.gz XOQKAQTVIZJRES-UHFFFAOYSA-N -2 0 366.355 0.943 20 0 FCADRL COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c1 ZINC001599603849 993856162 /nfs/dbraw/zinc/85/61/62/993856162.db2.gz LYTCWUKYUPAZSZ-JQWIXIFHSA-N -2 0 357.384 0.728 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@H](CC(=O)[O-])C2)c(CC(=O)[O-])c1 ZINC001599609994 993938630 /nfs/dbraw/zinc/93/86/30/993938630.db2.gz CAIGSDRSGLKYEE-JTQLQIEISA-N -2 0 357.384 0.808 20 0 FCADRL COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])c(CC(=O)[O-])c1 ZINC001599611183 993955891 /nfs/dbraw/zinc/95/58/91/993955891.db2.gz WGVWYORNJNFMFI-GFCCVEGCSA-N -2 0 357.384 0.950 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)c(CC(=O)[O-])c1 ZINC001599611475 993960840 /nfs/dbraw/zinc/96/08/40/993960840.db2.gz KFPWGKQZWTTWQO-ZDUSSCGKSA-N -3 0 371.367 0.238 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccn(C)n2)c(CC(=O)[O-])c1 ZINC001599612194 993969481 /nfs/dbraw/zinc/96/94/81/993969481.db2.gz WMWRLJYHVLZGJV-UHFFFAOYSA-N -2 0 367.383 0.103 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)c(OC)c1C(=O)[O-] ZINC001599613442 993984561 /nfs/dbraw/zinc/98/45/61/993984561.db2.gz ZPJUXXOCJXOZHV-RKDXNWHRSA-N -2 0 371.367 0.710 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cc(OC)ncn2)c(CC(=O)[O-])c1 ZINC001599616717 994024733 /nfs/dbraw/zinc/02/47/33/994024733.db2.gz LZDFLNXYPGHMIF-UHFFFAOYSA-N -2 0 353.356 0.922 20 0 FCADRL COc1nn(C)cc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1OC ZINC001599617861 994040207 /nfs/dbraw/zinc/04/02/07/994040207.db2.gz JATLLFVKYWWJEH-UHFFFAOYSA-N -2 0 371.371 0.945 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1ccccc1 ZINC001593176305 994054100 /nfs/dbraw/zinc/05/41/00/994054100.db2.gz SOPDOMUJSNBVLZ-GARJFASQSA-N -2 0 356.400 0.360 20 0 FCADRL CNC(=O)c1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])c(Cl)c1 ZINC001598659070 994568173 /nfs/dbraw/zinc/56/81/73/994568173.db2.gz UOFMMOJRXHQFOH-UHFFFAOYSA-N -2 0 358.763 0.922 20 0 FCADRL COc1cccc([C@H](OC)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC001599661616 994665312 /nfs/dbraw/zinc/66/53/12/994665312.db2.gz OBGKNNVSXONHOL-KWBADKCTSA-N -2 0 359.400 0.938 20 0 FCADRL CNS(=O)(=O)c1cc(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)ccc1[O-] ZINC001598674650 994820745 /nfs/dbraw/zinc/82/07/45/994820745.db2.gz MMTJCLCDQYQEQI-NYRNMGCKSA-N -2 0 358.372 0.117 20 0 FCADRL C[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593347703 994959731 /nfs/dbraw/zinc/95/97/31/994959731.db2.gz QFEPXUXVAUSOPA-DVVUODLYSA-N -2 0 359.404 0.381 20 0 FCADRL COC(=O)C(C)(C)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cn1 ZINC001598686470 995007381 /nfs/dbraw/zinc/00/73/81/995007381.db2.gz ZJSBJEFUELOJKY-UHFFFAOYSA-N -2 0 357.344 0.883 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccn(C)n1 ZINC001598714385 995387176 /nfs/dbraw/zinc/38/71/76/995387176.db2.gz RYYHVMPZAZHPJB-LBPRGKRZSA-N -2 0 353.356 0.311 20 0 FCADRL C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)C1 ZINC001593783670 996496689 /nfs/dbraw/zinc/49/66/89/996496689.db2.gz PUCZYPCMQIOLGB-OALUTQOASA-N -2 0 374.393 0.565 20 0 FCADRL COC(=O)CC[C@@H](NS(=O)(=O)c1cc(F)ccc1C(=O)[O-])C(=O)[O-] ZINC001598857265 996648043 /nfs/dbraw/zinc/64/80/43/996648043.db2.gz CCORPHVTAVUTGY-SECBINFHSA-N -2 0 363.319 0.209 20 0 FCADRL COC(=O)CC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1F)C(=O)[O-] ZINC001598857445 996649867 /nfs/dbraw/zinc/64/98/67/996649867.db2.gz RDVXZPLFZRNXAE-SECBINFHSA-N -2 0 363.319 0.209 20 0 FCADRL COC(=O)CN(CC(=O)[O-])C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001598863401 996694364 /nfs/dbraw/zinc/69/43/64/996694364.db2.gz LUYVGTRUMCCQDO-UHFFFAOYSA-N -2 0 351.290 0.417 20 0 FCADRL CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)C1 ZINC001599073559 996818280 /nfs/dbraw/zinc/81/82/80/996818280.db2.gz NKSCSIVNVAPGTK-MRXNPFEDSA-N -2 0 363.395 0.538 20 0 FCADRL COc1ccc(C(=O)[O-])c(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)c1 ZINC001599486561 996860186 /nfs/dbraw/zinc/86/01/86/996860186.db2.gz ATYRVHBYIRKJSD-GFCCVEGCSA-N -2 0 364.354 0.949 20 0 FCADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001599381616 996863334 /nfs/dbraw/zinc/86/33/34/996863334.db2.gz LIQWUNMZVNKYSH-LBPRGKRZSA-N -2 0 369.355 0.231 20 0 FCADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC001599281849 996904544 /nfs/dbraw/zinc/90/45/44/996904544.db2.gz NWZLKETYMGAEGK-CQSZACIVSA-N -2 0 359.356 0.053 20 0 FCADRL COC1(C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])nc2)C(=O)[O-])CCC1 ZINC001599087987 997134756 /nfs/dbraw/zinc/13/47/56/997134756.db2.gz DFBZKMJIBZTZHM-NSHDSACASA-N -2 0 358.372 0.471 20 0 FCADRL COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C1 ZINC001599194617 997192712 /nfs/dbraw/zinc/19/27/12/997192712.db2.gz LHEAXHAYBVATSG-CQSZACIVSA-N -2 0 361.347 0.636 20 0 FCADRL CON(C(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O)[C@H](C)CC(=O)[O-] ZINC001599311205 997418345 /nfs/dbraw/zinc/41/83/45/997418345.db2.gz ZHVVZMWLIQPQDL-SECBINFHSA-N -2 0 361.358 0.743 20 0 FCADRL CO[N-]C(=O)CNC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC001599321256 997585045 /nfs/dbraw/zinc/58/50/45/997585045.db2.gz XVQUAEMHYZKAFI-UHFFFAOYSA-N -2 0 350.375 0.648 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)c1 ZINC001598922402 997591745 /nfs/dbraw/zinc/59/17/45/997591745.db2.gz PUFMETHXTIPSQD-KWQFWETISA-N -2 0 369.351 0.479 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC001598923601 997614537 /nfs/dbraw/zinc/61/45/37/997614537.db2.gz NRZBQJJULGDRKW-QMMMGPOBSA-N -2 0 357.340 0.267 20 0 FCADRL COc1ccc(CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc1OC ZINC001599548545 997966498 /nfs/dbraw/zinc/96/64/98/997966498.db2.gz HVBDOWCXXUDSLV-UHFFFAOYSA-N -2 0 359.400 0.803 20 0 FCADRL COc1c(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cc2)c(C)nn1C ZINC001599344479 997978468 /nfs/dbraw/zinc/97/84/68/997978468.db2.gz JTRAYVDOBBNJLR-UHFFFAOYSA-N -2 0 353.356 0.554 20 0 FCADRL COc1c(S(=O)(=O)[N-]C(=O)c2cccc(C(=O)[O-])c2)c(C)nn1C ZINC001599345619 997999172 /nfs/dbraw/zinc/99/91/72/997999172.db2.gz XOZTWZNYGSNRJT-UHFFFAOYSA-N -2 0 353.356 0.554 20 0 FCADRL CO[C@H]1CN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)[C@](C)(C(=O)[O-])C1 ZINC001599136289 998049998 /nfs/dbraw/zinc/04/99/98/998049998.db2.gz CRGNKVICKNDJMB-ABAIWWIYSA-N -2 0 357.384 0.566 20 0 FCADRL CO[C@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2C)[C@@](C)(C(=O)[O-])C1 ZINC001599136608 998054866 /nfs/dbraw/zinc/05/48/66/998054866.db2.gz MEEOIOAJRRXXAP-MEBBXXQBSA-N -2 0 357.384 0.946 20 0 FCADRL CO[C@H]1COCC[C@H]1CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001599137880 998075279 /nfs/dbraw/zinc/07/52/79/998075279.db2.gz INPZWAMXEVIRBE-KBPBESRZSA-N -2 0 371.411 0.772 20 0 FCADRL COc1ccc(CCS(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cc1 ZINC001599556482 998100126 /nfs/dbraw/zinc/10/01/26/998100126.db2.gz SYWXFGSEWZSNBE-OLZOCXBDSA-N -2 0 357.384 0.316 20 0 FCADRL COc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])ccc1Br ZINC001599354998 998163465 /nfs/dbraw/zinc/16/34/65/998163465.db2.gz AHWJVPYCTMJYHU-LURJTMIESA-N -2 0 366.189 0.990 20 0 FCADRL COc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])ccc1Br ZINC001599354999 998163711 /nfs/dbraw/zinc/16/37/11/998163711.db2.gz AHWJVPYCTMJYHU-ZCFIWIBFSA-N -2 0 366.189 0.990 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]C[C@]2(C(=O)[O-])CCOC2)oc1Cl ZINC001598953687 998201297 /nfs/dbraw/zinc/20/12/97/998201297.db2.gz RCWJHRGNEPXLSB-GFCCVEGCSA-N -2 0 367.763 0.489 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-][C@H](CF)C(=O)[O-])c(F)cc1Cl ZINC001598953949 998205872 /nfs/dbraw/zinc/20/58/72/998205872.db2.gz KWRCLQUBVWXTEY-MRVPVSSYSA-N -2 0 357.718 0.967 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)NCC[C@H](C)C(=O)[O-])c(C(=O)[O-])s1 ZINC001598954857 998220899 /nfs/dbraw/zinc/22/08/99/998220899.db2.gz OLZJPCFTPMJUDS-LURJTMIESA-N -2 0 365.385 0.622 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2C)cn1C ZINC001598955157 998227056 /nfs/dbraw/zinc/22/70/56/998227056.db2.gz GKHFNGLJXOTMHG-UHFFFAOYSA-N -2 0 356.360 0.202 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(C(C)(C)C(=O)[O-])c2)cn1C ZINC001598955199 998227453 /nfs/dbraw/zinc/22/74/53/998227453.db2.gz LNAXNVUDPGTYDB-UHFFFAOYSA-N -2 0 370.387 0.629 20 0 FCADRL COc1cc(C(=O)[O-])cc(NC(=O)c2c[n-]n3c2nccc3=O)c1OC ZINC001599362297 998279840 /nfs/dbraw/zinc/27/98/40/998279840.db2.gz SQBCRSQQSKXABO-UHFFFAOYSA-N -2 0 358.310 0.990 20 0 FCADRL COC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001599159186 998427279 /nfs/dbraw/zinc/42/72/79/998427279.db2.gz MNKFIXKPUNVZOO-SNVBAGLBSA-N -2 0 359.400 0.800 20 0 FCADRL COc1cc(C(=O)[O-])ccc1NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001599372617 998434524 /nfs/dbraw/zinc/43/45/24/998434524.db2.gz NFHMKJYVYMCEQE-QLJPJBMISA-N -2 0 350.327 0.958 20 0 FCADRL COc1ccc(-n2cc([O-])c(C(=O)NC[C@]3(C(=O)[O-])CCOC3)n2)cc1 ZINC001599473336 998486572 /nfs/dbraw/zinc/48/65/72/998486572.db2.gz CHZKFCRLCUMZCB-QGZVFWFLSA-N -2 0 361.354 0.808 20 0 FCADRL COc1ccc(-n2cc([O-])c(C(=O)N3CCC[C@H](O)[C@H]3C(=O)[O-])n2)cc1 ZINC001599474165 998499749 /nfs/dbraw/zinc/49/97/49/998499749.db2.gz YPTVKDMSPGPGPN-WFASDCNBSA-N -2 0 361.354 0.637 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)NC1([C@@H](C)C(=O)[O-])CC1 ZINC001598970199 998501553 /nfs/dbraw/zinc/50/15/53/998501553.db2.gz GGEDLMDMOKISJV-QMMMGPOBSA-N -2 0 371.367 0.703 20 0 FCADRL COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)c1 ZINC001598994770 998769519 /nfs/dbraw/zinc/76/95/19/998769519.db2.gz WSCVRSMLBXJDMV-NEPJUHHUSA-N -2 0 371.367 0.051 20 0 FCADRL C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)[N-]OCCCC(=O)[O-])C2=O ZINC001594221217 998852036 /nfs/dbraw/zinc/85/20/36/998852036.db2.gz MBXLIBFAKUWHEP-CULMDFNYSA-N -2 0 355.391 0.646 20 0 FCADRL COC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC001599010837 998897031 /nfs/dbraw/zinc/89/70/31/998897031.db2.gz BGMPKSNSQJFIMP-UHFFFAOYSA-N -2 0 357.344 0.916 20 0 FCADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C ZINC001599019095 998963844 /nfs/dbraw/zinc/96/38/44/998963844.db2.gz CAQPWGJSOXTYPT-MRVPVSSYSA-N -2 0 365.385 0.620 20 0 FCADRL CO[C@@H](C(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1)[C@H]1CCOC1 ZINC001599028680 999034689 /nfs/dbraw/zinc/03/46/89/999034689.db2.gz QKPUFXZZPCZBOH-CMPLNLGQSA-N -2 0 358.372 0.209 20 0 FCADRL CO[C@@H](C[C@@H](NS(=O)(=O)c1ccsc1C(=O)[O-])C(=O)[O-])C1CC1 ZINC001599042698 999129281 /nfs/dbraw/zinc/12/92/81/999129281.db2.gz DEWFNKBXRRGSFN-BDAKNGLRSA-N -2 0 363.413 0.993 20 0 FCADRL CO[C@H](C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)[O-])C1CC1 ZINC001599044027 999138274 /nfs/dbraw/zinc/13/82/74/999138274.db2.gz PTTNLBSLYBCWHG-ZYHUDNBSSA-N -2 0 360.388 0.270 20 0 FCADRL CO[C@@H](CS(=O)(=O)[N-]c1n[nH]c(CC(=O)[O-])n1)c1ccc(F)cc1 ZINC001599056777 999236058 /nfs/dbraw/zinc/23/60/58/999236058.db2.gz DRQQGJQRPXSWDS-JTQLQIEISA-N -2 0 358.351 0.700 20 0 FCADRL CC1CCC(OCC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001594330025 999268409 /nfs/dbraw/zinc/26/84/09/999268409.db2.gz HSKIITVNOIMGPA-UHFFFAOYSA-N -2 0 362.448 0.739 20 0 FCADRL CCOC(=O)c1ccc(CS(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000297065809 214377906 /nfs/dbraw/zinc/37/79/06/214377906.db2.gz WMQAHGIBGLBXAK-LLVKDONJSA-N -2 0 359.356 0.211 20 0 FCADRL CCN1C(=S)N=NC1CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000265782919 210220018 /nfs/dbraw/zinc/22/00/18/210220018.db2.gz GZYOHRLOMNOQJP-UHFFFAOYSA-N -2 0 361.387 0.575 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1)C(=O)[O-] ZINC000274931415 211931561 /nfs/dbraw/zinc/93/15/61/211931561.db2.gz PBKVBEPQKYXZBM-SECBINFHSA-N -2 0 366.189 0.796 20 0 FCADRL CCn1cc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c(C(N)=O)n1 ZINC000436478184 248042141 /nfs/dbraw/zinc/04/21/41/248042141.db2.gz OCJLUULJISXYGU-UHFFFAOYSA-N -2 0 370.362 0.948 20 0 FCADRL CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)c(F)c1 ZINC000443161389 248309159 /nfs/dbraw/zinc/30/91/59/248309159.db2.gz JXRDSQYNTAPNGT-VXGBXAGGSA-N -2 0 366.436 0.779 20 0 FCADRL CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC000481957461 250373076 /nfs/dbraw/zinc/37/30/76/250373076.db2.gz LQZGYCOZTWSSAG-UHFFFAOYSA-N -2 0 366.399 0.399 20 0 FCADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1n[nH]c(C)c1C(N)=O ZINC000499334265 250725784 /nfs/dbraw/zinc/72/57/84/250725784.db2.gz KLJHBSHVESHONT-UHFFFAOYSA-N -2 0 352.372 0.878 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000105642300 208204612 /nfs/dbraw/zinc/20/46/12/208204612.db2.gz HKLBTYUALBVMOA-SCSAIBSYSA-N -2 0 358.191 0.717 20 0 FCADRL CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000287712556 488897272 /nfs/dbraw/zinc/89/72/72/488897272.db2.gz YCJVYBHGLVWPHB-WPRPVWTQSA-N -2 0 368.371 0.310 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1C ZINC000325284566 488909461 /nfs/dbraw/zinc/90/94/61/488909461.db2.gz POAUAGKYRUWZKN-NWDGAFQWSA-N -2 0 357.384 0.800 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cn1 ZINC000325025147 488908181 /nfs/dbraw/zinc/90/81/81/488908181.db2.gz HKEPCXJIALYPDN-UHFFFAOYSA-N -2 0 352.372 0.437 20 0 FCADRL COc1ccc(OC)c(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])c1 ZINC000325946350 488912864 /nfs/dbraw/zinc/91/28/64/488912864.db2.gz AQCNMQAFZGUTOP-SNVBAGLBSA-N -2 0 361.372 0.690 20 0 FCADRL COc1ccc(OC)c(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1 ZINC000327034488 488917810 /nfs/dbraw/zinc/91/78/10/488917810.db2.gz JCSQMUFXAXUMPU-WDEREUQCSA-N -2 0 373.383 0.500 20 0 FCADRL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000024634908 487647652 /nfs/dbraw/zinc/64/76/52/487647652.db2.gz RVPFTFFLZYHVKG-UHFFFAOYSA-N -2 0 366.399 0.652 20 0 FCADRL Cn1ccc([N-]S(=O)(=O)c2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)n1 ZINC000032083906 487768150 /nfs/dbraw/zinc/76/81/50/487768150.db2.gz VSPASGACGDYLMZ-JTQLQIEISA-N -2 0 364.383 0.658 20 0 FCADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)[C@@H]1CCCO1 ZINC000055590006 488244953 /nfs/dbraw/zinc/24/49/53/488244953.db2.gz UAGRZRVLOWYPTO-LBPRGKRZSA-N -2 0 356.400 0.997 20 0 FCADRL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000057885010 488277090 /nfs/dbraw/zinc/27/70/90/488277090.db2.gz IDPNMXOCZXBVDD-UHFFFAOYSA-N -2 0 366.293 0.619 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)[C@H]2CCCO2)c(Cl)cc1F ZINC000069147823 488371370 /nfs/dbraw/zinc/37/13/70/488371370.db2.gz DJWCTUKFZVFMCY-SECBINFHSA-N -2 0 366.754 0.666 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000262700750 488586778 /nfs/dbraw/zinc/58/67/78/488586778.db2.gz YTUZTEBRUUZSHI-LBPRGKRZSA-N -2 0 357.370 0.956 20 0 FCADRL CC(C)[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)[N-]c1ncnn1-2)C(=O)[O-] ZINC000262937511 488600037 /nfs/dbraw/zinc/60/00/37/488600037.db2.gz YYCSGNRLVKKAOZ-NSHDSACASA-N -2 0 365.371 0.221 20 0 FCADRL Cc1cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])sc1Br ZINC000126267102 488608223 /nfs/dbraw/zinc/60/82/23/488608223.db2.gz VLANFFPDIBZFNF-UHFFFAOYSA-N -2 0 372.218 0.979 20 0 FCADRL COCCCn1c(=O)c2ccc(C(=O)Nc3nn[nH]n3)cc2[n-]c1=S ZINC000263993802 488641716 /nfs/dbraw/zinc/64/17/16/488641716.db2.gz HGWDGXWZILVNJM-UHFFFAOYSA-N -2 0 361.387 0.487 20 0 FCADRL CC(C)(C)[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000274907470 488742724 /nfs/dbraw/zinc/74/27/24/488742724.db2.gz JRNHCCSSWKYTOR-MRVPVSSYSA-N -2 0 356.360 0.214 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])ccc1Cl ZINC000274952206 488747398 /nfs/dbraw/zinc/74/73/98/488747398.db2.gz HZYUDUPKUWJACP-UHFFFAOYSA-N -2 0 365.747 0.287 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C[C@H]1C(=O)[O-] ZINC000274951013 488747458 /nfs/dbraw/zinc/74/74/58/488747458.db2.gz AJSYRUMCFYEFCN-WDEREUQCSA-N -2 0 371.367 0.254 20 0 FCADRL Cc1ccc(Br)c(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000274950688 488747460 /nfs/dbraw/zinc/74/74/60/488747460.db2.gz SQGWGZDCVDEZFC-QMMMGPOBSA-N -2 0 366.189 0.964 20 0 FCADRL COc1cc(F)c(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1OC ZINC000274974452 488749615 /nfs/dbraw/zinc/74/96/15/488749615.db2.gz WTQDXLZMQOBIJY-SSDOTTSWSA-N -2 0 351.308 0.049 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)C[C@H]1C(=O)[O-] ZINC000274988687 488750869 /nfs/dbraw/zinc/75/08/69/488750869.db2.gz DXEWZPIQHMLREO-RNFRBKRXSA-N -2 0 367.301 0.900 20 0 FCADRL CC(C)(C)[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000275060759 488757648 /nfs/dbraw/zinc/75/76/48/488757648.db2.gz JRNHCCSSWKYTOR-QMMMGPOBSA-N -2 0 356.360 0.214 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC[C@@H]1C(=O)[O-] ZINC000275083839 488760243 /nfs/dbraw/zinc/76/02/43/488760243.db2.gz JDOKVXTYEHCMDD-STQMWFEESA-N -2 0 369.395 0.808 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] ZINC000275147626 488766307 /nfs/dbraw/zinc/76/63/07/488766307.db2.gz YAJFTUSHECPWSL-ZETCQYMHSA-N -2 0 357.171 0.985 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2ccc(Cl)nc2)C1 ZINC000275181934 488769939 /nfs/dbraw/zinc/76/99/39/488769939.db2.gz WSHLFJHNFABDOQ-ZDUSSCGKSA-N -2 0 362.791 0.816 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2c[nH]c3ncccc23)C1 ZINC000275198809 488771737 /nfs/dbraw/zinc/77/17/37/488771737.db2.gz YQNIHZGKOYFFSR-AWEZNQCLSA-N -2 0 353.356 0.503 20 0 FCADRL Cc1cc2c(cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1)OCO2 ZINC000279904375 488974151 /nfs/dbraw/zinc/97/41/51/488974151.db2.gz CVKYAKAZVQYSQC-ZJUUUORDSA-N -2 0 371.367 0.520 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1)C(=O)[O-] ZINC000280666042 489023659 /nfs/dbraw/zinc/02/36/59/489023659.db2.gz OXVCYALWBWWDQL-LURJTMIESA-N -2 0 371.289 0.881 20 0 FCADRL C[C@@]1(C(=O)[O-])CCCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000281643769 489093595 /nfs/dbraw/zinc/09/35/95/489093595.db2.gz AVTNACNGJDJBLW-AWEZNQCLSA-N -2 0 368.371 0.454 20 0 FCADRL COCc1cc(Cl)cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000290613242 489153200 /nfs/dbraw/zinc/15/32/00/489153200.db2.gz JRSZHCMQPGGLAQ-SNVBAGLBSA-N -2 0 351.764 0.693 20 0 FCADRL COCc1cc(Cl)cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000290695887 489158799 /nfs/dbraw/zinc/15/87/99/489158799.db2.gz RPSWUKWYEPPIIR-VIFPVBQESA-N -2 0 365.791 0.940 20 0 FCADRL CCOc1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1 ZINC000282860126 489194868 /nfs/dbraw/zinc/19/48/68/489194868.db2.gz OIJOJKOYAYUQFB-QWHCGFSZSA-N -2 0 357.384 0.881 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnn(CC(=O)NC3CC3)c2)c1 ZINC000298870095 489375826 /nfs/dbraw/zinc/37/58/26/489375826.db2.gz TXMZJAWWFOWHDP-UHFFFAOYSA-N -2 0 364.383 0.661 20 0 FCADRL COCCn1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)n1 ZINC000299595696 489460341 /nfs/dbraw/zinc/46/03/41/489460341.db2.gz LVTVKQHJFKPTIR-UHFFFAOYSA-N -2 0 373.362 0.933 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1C(N)=O ZINC000474392599 489760569 /nfs/dbraw/zinc/76/05/69/489760569.db2.gz NSZAFMPYTLOFOZ-UHFFFAOYSA-N -2 0 365.367 0.997 20 0 FCADRL COC(=O)Cn1ncc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1C ZINC000475837012 489853152 /nfs/dbraw/zinc/85/31/52/489853152.db2.gz UWHLWCRLDMPBDW-UHFFFAOYSA-N -2 0 359.385 0.925 20 0 FCADRL CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)n1 ZINC000433513509 489889885 /nfs/dbraw/zinc/88/98/85/489889885.db2.gz RQCZCMMNYXRJSA-UHFFFAOYSA-N -2 0 368.371 0.176 20 0 FCADRL NC(=O)COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000433809670 489901799 /nfs/dbraw/zinc/90/17/99/489901799.db2.gz WCWJJAGWPQLTLC-UHFFFAOYSA-N -2 0 366.351 0.755 20 0 FCADRL CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000479188317 490071904 /nfs/dbraw/zinc/07/19/04/490071904.db2.gz OYFIZUYZFJGMMR-VIFPVBQESA-N -2 0 350.418 0.078 20 0 FCADRL O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)[N-]c3cncnc3)cc2)C1 ZINC000464543982 490059564 /nfs/dbraw/zinc/05/95/64/490059564.db2.gz NAROLICMZMMYLE-SNVBAGLBSA-N -2 0 362.367 0.715 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)cnn1C ZINC000464833316 490072029 /nfs/dbraw/zinc/07/20/29/490072029.db2.gz DQEGKXKIDQNWGB-UHFFFAOYSA-N -2 0 353.356 0.999 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cn1 ZINC000392173163 490147731 /nfs/dbraw/zinc/14/77/31/490147731.db2.gz QCRIWZDXTYWPKF-UHFFFAOYSA-N -2 0 352.372 0.437 20 0 FCADRL O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 ZINC000480512586 490206578 /nfs/dbraw/zinc/20/65/78/490206578.db2.gz XBDLAKUZNADKKS-UHFFFAOYSA-N -2 0 374.382 0.058 20 0 FCADRL NC(=O)N1CCc2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc21 ZINC000447270176 490212897 /nfs/dbraw/zinc/21/28/97/490212897.db2.gz GHUCCWPUBHXVAE-UHFFFAOYSA-N -2 0 350.356 0.955 20 0 FCADRL CC(C)(C)C[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000547574468 490322017 /nfs/dbraw/zinc/32/20/17/490322017.db2.gz FAVZDOZIXCRBPE-VIFPVBQESA-N -2 0 370.387 0.604 20 0 FCADRL Cc1ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc1[N+](=O)[O-] ZINC000547615112 490331468 /nfs/dbraw/zinc/33/14/68/490331468.db2.gz LXFJWRFEXYOBOE-CYBMUJFWSA-N -2 0 360.344 0.747 20 0 FCADRL CC1(C)C(=O)Nc2ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc21 ZINC000547918305 490386273 /nfs/dbraw/zinc/38/62/73/490386273.db2.gz QYZJNBULVPUJNA-NSHDSACASA-N -2 0 370.383 0.513 20 0 FCADRL CO[C@@H](C)CS(=O)(=O)[N-]c1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000509089741 490388408 /nfs/dbraw/zinc/38/84/08/490388408.db2.gz LYUUFSHIAYWCDU-VIFPVBQESA-N -2 0 364.445 0.610 20 0 FCADRL C[C@@](CNS(=O)(=O)c1cc(Cl)cnc1N)(CC(=O)[O-])C(=O)[O-] ZINC000547932795 490390673 /nfs/dbraw/zinc/39/06/73/490390673.db2.gz AKJUDJUBLYZROL-NSHDSACASA-N -2 0 351.768 0.161 20 0 FCADRL CN1C(=O)Cc2cc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])ccc21 ZINC000547936688 490392085 /nfs/dbraw/zinc/39/20/85/490392085.db2.gz LRQWWCIUEAOLPU-HNNXBMFYSA-N -2 0 370.383 0.049 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(N3C(=O)CNC3=O)c2)c[nH]1 ZINC000523074104 490438842 /nfs/dbraw/zinc/43/88/42/490438842.db2.gz WKNLLNKHONELCZ-UHFFFAOYSA-N -2 0 364.339 0.570 20 0 FCADRL C[C@](CNS(=O)(=O)N1CC[C@@H]2CCCC[C@@H]2C1)(CC(=O)[O-])C(=O)[O-] ZINC000548259517 490453148 /nfs/dbraw/zinc/45/31/48/490453148.db2.gz CDACVEQZEIABIP-YWPYICTPSA-N -2 0 362.448 0.899 20 0 FCADRL COC(=O)c1ccc(C)c(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000548267375 490454676 /nfs/dbraw/zinc/45/46/76/490454676.db2.gz DQAOSXMOQWJWAD-OAHLLOKOSA-N -2 0 373.383 0.626 20 0 FCADRL CC(C)N([C@H](C)C(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000548540762 490501620 /nfs/dbraw/zinc/50/16/20/490501620.db2.gz DOFPLHDWYHRSKX-SSDOTTSWSA-N -2 0 356.360 0.308 20 0 FCADRL COCCOc1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000548556085 490505125 /nfs/dbraw/zinc/50/51/25/490505125.db2.gz JVFVTLOEJWLIHI-JTQLQIEISA-N -2 0 361.372 0.166 20 0 FCADRL CN(CC(C)(C)C(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000548583688 490511400 /nfs/dbraw/zinc/51/14/00/490511400.db2.gz WVZKVUNGZWHOCE-UHFFFAOYSA-N -2 0 356.360 0.167 20 0 FCADRL Cc1ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc1N(C)C ZINC000548589048 490513702 /nfs/dbraw/zinc/51/37/02/490513702.db2.gz APWNIDWHDDPHLB-HNNXBMFYSA-N -2 0 358.416 0.905 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC000485295891 490522064 /nfs/dbraw/zinc/52/20/64/490522064.db2.gz YYKFBASXQPIDQA-UHFFFAOYSA-N -2 0 356.335 0.397 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)CCOCC2CCCC2)CC[C@@H]1C(=O)[O-] ZINC000557082578 491352062 /nfs/dbraw/zinc/35/20/62/491352062.db2.gz KDMPYXNDZHKLOA-STQMWFEESA-N -2 0 363.432 0.630 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1C ZINC000504259555 490793108 /nfs/dbraw/zinc/79/31/08/490793108.db2.gz ISICOFNALRGALC-UHFFFAOYSA-N -2 0 352.372 0.437 20 0 FCADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000504679900 490809555 /nfs/dbraw/zinc/80/95/55/490809555.db2.gz GYOIKMODZCTXAX-UHFFFAOYSA-N -2 0 352.372 0.344 20 0 FCADRL Cc1cc2c(cc1S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])OCO2 ZINC000530526273 490910491 /nfs/dbraw/zinc/91/04/91/490910491.db2.gz YHBHCVZTMCLVPH-AWEZNQCLSA-N -2 0 359.356 0.568 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1cccc(C(=O)NC2CC2)c1)C(=O)[O-] ZINC000573124558 491414565 /nfs/dbraw/zinc/41/45/65/491414565.db2.gz AJIWTFSWQRUDPF-SNVBAGLBSA-N -2 0 370.383 0.033 20 0 FCADRL CC(C)C[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000568885255 491616906 /nfs/dbraw/zinc/61/69/06/491616906.db2.gz WUOLLIOOWNDBGV-LLVKDONJSA-N -2 0 364.370 0.859 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCOCC2CCCC2)C1 ZINC000576568472 491625637 /nfs/dbraw/zinc/62/56/37/491625637.db2.gz ZJTISSHSVYMROA-HNNXBMFYSA-N -2 0 363.432 0.774 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]c2cnn(CCO)c2)cc1C(=O)[O-] ZINC000589938963 491767594 /nfs/dbraw/zinc/76/75/94/491767594.db2.gz KQERUYBSALXYFJ-UHFFFAOYSA-N -2 0 355.372 0.773 20 0 FCADRL COC(=O)c1c(C)cccc1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000614327645 492024441 /nfs/dbraw/zinc/02/44/41/492024441.db2.gz RFXSUWJKAAKZOW-SECBINFHSA-N -2 0 359.356 0.378 20 0 FCADRL Cc1cc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)nc2[nH]c(=O)nc([O-])c12 ZINC000614388860 492027753 /nfs/dbraw/zinc/02/77/53/492027753.db2.gz IMLVAGNKEVPSRI-QMMMGPOBSA-N -2 0 372.341 0.853 20 0 FCADRL COc1ncccc1[N-]S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000614825139 492058646 /nfs/dbraw/zinc/05/86/46/492058646.db2.gz FTGXCTYYGQNMBO-UHFFFAOYSA-N -2 0 365.367 0.705 20 0 FCADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CCC(N)=O)n1 ZINC000605118790 492082629 /nfs/dbraw/zinc/08/26/29/492082629.db2.gz GQANUTBONUJNRP-UHFFFAOYSA-N -2 0 352.372 0.566 20 0 FCADRL Cc1cc(C(=O)Nc2cnn(CC(=O)N(C)C)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000607049425 492137273 /nfs/dbraw/zinc/13/72/73/492137273.db2.gz CBZVSMXZFQBDFI-UHFFFAOYSA-N -2 0 371.357 0.281 20 0 FCADRL Cn1[n-]c(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)c2cc(=O)n(C)[n-]2)cc1=O ZINC000616784148 492143435 /nfs/dbraw/zinc/14/34/35/492143435.db2.gz VUWKAFDGNXCAPX-AOOOYVTPSA-N -2 0 362.390 0.036 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cn1 ZINC000609575590 492214581 /nfs/dbraw/zinc/21/45/81/492214581.db2.gz VJVCHPQKDYFKMK-UHFFFAOYSA-N -2 0 369.355 0.564 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cn1 ZINC000609575519 492214761 /nfs/dbraw/zinc/21/47/61/492214761.db2.gz FLVDJFDAPXCTAC-UHFFFAOYSA-N -2 0 369.355 0.320 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c2ncccc12 ZINC000654768042 492348705 /nfs/dbraw/zinc/34/87/05/492348705.db2.gz YGKLMHMAHRRYPQ-SNVBAGLBSA-N -2 0 368.367 0.840 20 0 FCADRL C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000650232632 492624363 /nfs/dbraw/zinc/62/43/63/492624363.db2.gz GVQNKXJHMKCEGI-HZGVNTEJSA-N -2 0 354.344 0.062 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1ncccc1C(F)(F)F)C(=O)[O-] ZINC000650392556 492637756 /nfs/dbraw/zinc/63/77/56/492637756.db2.gz NCFJZXGIMSWMPM-ZETCQYMHSA-N -2 0 356.278 0.697 20 0 FCADRL CO[C@H](C)c1nc(=NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)s[n-]1 ZINC000629989983 492712433 /nfs/dbraw/zinc/71/24/33/492712433.db2.gz IEZVVHVRGDUKPB-SSDOTTSWSA-N -2 0 357.417 0.686 20 0 FCADRL CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O ZINC000653337329 493095157 /nfs/dbraw/zinc/09/51/57/493095157.db2.gz ZDNGXEBMMUQZBE-CYBMUJFWSA-N -2 0 371.415 0.952 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000681556824 493185892 /nfs/dbraw/zinc/18/58/92/493185892.db2.gz VWXULDZJIZVPCD-VIFPVBQESA-N -2 0 371.289 0.933 20 0 FCADRL COc1cc(F)c(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(F)c1 ZINC000681560712 493186364 /nfs/dbraw/zinc/18/63/64/493186364.db2.gz KBOGZUABQVZNOT-VIFPVBQESA-N -2 0 353.299 0.570 20 0 FCADRL Cc1ccc2ncccc2c1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000681578766 493189479 /nfs/dbraw/zinc/18/94/79/493189479.db2.gz SXACQUWZHLWVBR-SNVBAGLBSA-N -2 0 352.368 0.997 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)C2Cc3ccccc3C2)C1 ZINC000681588665 493191955 /nfs/dbraw/zinc/19/19/55/493191955.db2.gz IKTNFEFDOOQGHC-MRXNPFEDSA-N -2 0 353.396 0.735 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)C2Cc3ccccc3C2)C1 ZINC000681588664 493192442 /nfs/dbraw/zinc/19/24/42/493192442.db2.gz IKTNFEFDOOQGHC-INIZCTEOSA-N -2 0 353.396 0.735 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)C2Cc3ccccc3C2)C[C@@H]1C(=O)[O-] ZINC000681590226 493192968 /nfs/dbraw/zinc/19/29/68/493192968.db2.gz FWTNTMHFILRBOK-KGLIPLIRSA-N -2 0 353.396 0.591 20 0 FCADRL O=C([O-])[C@@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CCC1 ZINC000663254509 493581410 /nfs/dbraw/zinc/58/14/10/493581410.db2.gz KCDDOGILHKAWRN-JTQLQIEISA-N -2 0 368.371 0.215 20 0 FCADRL CCc1nc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cn1CC1CC1 ZINC000663286690 493581701 /nfs/dbraw/zinc/58/17/01/493581701.db2.gz SZUJOBRNIPBNRO-SNVBAGLBSA-N -2 0 359.404 0.309 20 0 FCADRL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])s1 ZINC000678716754 493657287 /nfs/dbraw/zinc/65/72/87/493657287.db2.gz MJBADNOILMDQOF-UHFFFAOYSA-N -2 0 359.389 0.642 20 0 FCADRL CC(=O)Nc1ccc(C)c(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000324173039 546847220 /nfs/dbraw/zinc/84/72/20/546847220.db2.gz FWIAMHSKZCGLKO-LLVKDONJSA-N -2 0 358.372 0.550 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2cnn(-c3ncccn3)c2)cc1C(=O)[O-] ZINC000504286773 547332693 /nfs/dbraw/zinc/33/26/93/547332693.db2.gz URZLAYVVPYGAFO-UHFFFAOYSA-N -2 0 362.371 0.983 20 0 FCADRL Cn1cnc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)c1Cl ZINC000189511799 674379986 /nfs/dbraw/zinc/37/99/86/674379986.db2.gz NVSUZKGTDIZBOA-UHFFFAOYSA-N -2 0 355.767 0.143 20 0 FCADRL NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccccc1CC(=O)[O-] ZINC000819130553 597315342 /nfs/dbraw/zinc/31/53/42/597315342.db2.gz FOCWNRROYBBMFM-UHFFFAOYSA-N -2 0 370.408 0.762 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC000737631859 599738468 /nfs/dbraw/zinc/73/84/68/599738468.db2.gz VTGHRTOHIYRGGT-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])n1 ZINC000737630339 599738590 /nfs/dbraw/zinc/73/85/90/599738590.db2.gz FFLOPDGTTSZRHX-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL Cn1c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2n(C)c1=O ZINC000739002002 599738976 /nfs/dbraw/zinc/73/89/76/599738976.db2.gz BUHAANJDPNPRBI-UHFFFAOYSA-N -2 0 351.340 0.969 20 0 FCADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1 ZINC000739920921 599739872 /nfs/dbraw/zinc/73/98/72/599739872.db2.gz WDBISJIHJJKGGB-UHFFFAOYSA-N -2 0 364.383 0.895 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1C(=O)[O-] ZINC000737211263 599747581 /nfs/dbraw/zinc/74/75/81/599747581.db2.gz ZFBVYPWABLVMOW-UHFFFAOYSA-N -3 0 369.355 0.865 20 0 FCADRL O=C([O-])NCCC(=O)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000739947838 599800279 /nfs/dbraw/zinc/80/02/79/599800279.db2.gz NNALIWSZSVHPKZ-UHFFFAOYSA-N -2 0 352.166 0.307 20 0 FCADRL CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000737177088 599910602 /nfs/dbraw/zinc/91/06/02/599910602.db2.gz NDLAGZKCJDMACF-QMMMGPOBSA-N -2 0 351.402 0.693 20 0 FCADRL COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000737632940 599911071 /nfs/dbraw/zinc/91/10/71/599911071.db2.gz YUFFBRZGVIJGDX-UHFFFAOYSA-N -2 0 364.401 0.730 20 0 FCADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)n1 ZINC000738632908 600054156 /nfs/dbraw/zinc/05/41/56/600054156.db2.gz IQJCVJGEKGTEKO-UHFFFAOYSA-N -2 0 366.384 0.547 20 0 FCADRL NC(=O)c1cnc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000739184697 600055290 /nfs/dbraw/zinc/05/52/90/600055290.db2.gz WQGHDXKITAURBR-UHFFFAOYSA-N -2 0 357.369 0.506 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)c2cn3ccccc3n2)CC1 ZINC000739453440 600130338 /nfs/dbraw/zinc/13/03/38/600130338.db2.gz HRPZODVTQCPXRJ-UHFFFAOYSA-N -2 0 352.372 0.106 20 0 FCADRL COc1ccc([C@@H](CC(=O)[O-])NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1 ZINC000737952406 600150382 /nfs/dbraw/zinc/15/03/82/600150382.db2.gz JUGFKJGQSLYAPU-CYBMUJFWSA-N -2 0 371.353 0.412 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(OCC(N)=O)cc2)c1C(=O)[O-] ZINC000738830088 600232680 /nfs/dbraw/zinc/23/26/80/600232680.db2.gz ZMRANJCSXZCARV-UHFFFAOYSA-N -2 0 354.344 0.081 20 0 FCADRL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)N1CCCC1=O ZINC000736346908 600241332 /nfs/dbraw/zinc/24/13/32/600241332.db2.gz CCAZRVRJJUKLRT-LBPRGKRZSA-N -2 0 374.440 0.898 20 0 FCADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)n1 ZINC000738633612 600247367 /nfs/dbraw/zinc/24/73/67/600247367.db2.gz RZRIRJLSZXWNOL-UHFFFAOYSA-N -2 0 367.408 0.857 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)c2cnn3ccccc23)CC1 ZINC000739454927 600273390 /nfs/dbraw/zinc/27/33/90/600273390.db2.gz WPQSQWMGZMZERM-UHFFFAOYSA-N -2 0 352.372 0.106 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC000739157696 600392360 /nfs/dbraw/zinc/39/23/60/600392360.db2.gz QSBFDAMCBZJLDC-UHFFFAOYSA-N -2 0 374.325 0.536 20 0 FCADRL CC(=O)c1cccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1 ZINC000736196487 600460453 /nfs/dbraw/zinc/46/04/53/600460453.db2.gz ONOFMBXFCUPHNE-NSHDSACASA-N -2 0 357.384 0.967 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCCN1C(=O)c1ccco1 ZINC000739695888 600462092 /nfs/dbraw/zinc/46/20/92/600462092.db2.gz SWEGXPGLRUIPIZ-LLVKDONJSA-N -2 0 372.399 0.585 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000739692106 600462845 /nfs/dbraw/zinc/46/28/45/600462845.db2.gz MKZQTNFHBDYSCP-UHFFFAOYSA-N -2 0 351.384 0.726 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCCNC(=O)c1ccc(F)cc1 ZINC000739691099 600463462 /nfs/dbraw/zinc/46/34/62/600463462.db2.gz FIDYKNBEGJKBNX-UHFFFAOYSA-N -2 0 374.390 0.647 20 0 FCADRL C[C@H](NC(=O)OCc1ccccc1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736649246 600463773 /nfs/dbraw/zinc/46/37/73/600463773.db2.gz FUHBVVDONRBGRL-NSHDSACASA-N -2 0 372.399 0.612 20 0 FCADRL NC(=O)N[C@@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccccc1 ZINC000739168029 600466048 /nfs/dbraw/zinc/46/60/48/600466048.db2.gz QKJGBDJQXXTLLW-NSHDSACASA-N -2 0 357.388 0.097 20 0 FCADRL CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c1 ZINC000738176036 600514842 /nfs/dbraw/zinc/51/48/42/600514842.db2.gz HCESSFFINPJYTE-UHFFFAOYSA-N -2 0 356.381 0.984 20 0 FCADRL CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736477691 600576731 /nfs/dbraw/zinc/57/67/31/600576731.db2.gz PBCIUJNPSRYIKY-UHFFFAOYSA-N -2 0 362.429 0.946 20 0 FCADRL CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cnn(CC(=O)[O-])c3)cc21 ZINC000326906418 600612107 /nfs/dbraw/zinc/61/21/07/600612107.db2.gz DUZAZJRXFKEVOU-UHFFFAOYSA-N -2 0 364.383 0.678 20 0 FCADRL CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000829885718 600670791 /nfs/dbraw/zinc/67/07/91/600670791.db2.gz WROUTDZOIRJPBA-UHFFFAOYSA-N -2 0 353.356 0.945 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])s2)cn1 ZINC000831192359 600672309 /nfs/dbraw/zinc/67/23/09/600672309.db2.gz IIHZZRJVDBRVKA-UHFFFAOYSA-N -2 0 359.385 0.925 20 0 FCADRL CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000325111337 600673410 /nfs/dbraw/zinc/67/34/10/600673410.db2.gz FWQWFACANPTACB-UHFFFAOYSA-N -2 0 373.412 0.562 20 0 FCADRL C[C@H]1Oc2ccc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)cc2NC1=O ZINC000326772180 600674040 /nfs/dbraw/zinc/67/40/40/600674040.db2.gz MVVYKVXCCBVLJI-MRVPVSSYSA-N -2 0 366.355 0.488 20 0 FCADRL CC(=O)NCc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000825879186 600682687 /nfs/dbraw/zinc/68/26/87/600682687.db2.gz LOILURUETVZHKB-UHFFFAOYSA-N -2 0 352.372 0.405 20 0 FCADRL CCOc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c(C(N)=O)c1 ZINC000830085120 600684269 /nfs/dbraw/zinc/68/42/69/600684269.db2.gz ONTZOCATXQWWHG-UHFFFAOYSA-N -2 0 368.371 0.266 20 0 FCADRL NC(=O)Cn1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC000739160025 600890107 /nfs/dbraw/zinc/89/01/07/600890107.db2.gz FFMNDKAVRVDDOR-UHFFFAOYSA-N -2 0 358.763 0.521 20 0 FCADRL CN(C)C(=O)c1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ccn1 ZINC000830568918 600983813 /nfs/dbraw/zinc/98/38/13/600983813.db2.gz BIRWELBAWDNKCC-UHFFFAOYSA-N -2 0 355.397 0.766 20 0 FCADRL O=C([O-])CN(CCN1CCOCC1)Cc1c([O-])nnn1-c1ccccc1 ZINC000833248494 600985360 /nfs/dbraw/zinc/98/53/60/600985360.db2.gz NCUHKEMGJFLJRG-UHFFFAOYSA-N -2 0 361.402 0.192 20 0 FCADRL COC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)n1 ZINC000831192786 600986830 /nfs/dbraw/zinc/98/68/30/600986830.db2.gz URAITDZVXHRUNP-UHFFFAOYSA-N -2 0 354.344 0.259 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2ccc(Br)s2)n1 ZINC000833277770 600987632 /nfs/dbraw/zinc/98/76/32/600987632.db2.gz ZWBGRINZDQHCHE-UHFFFAOYSA-N -2 0 367.206 0.988 20 0 FCADRL CNS(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccn2)c(C)o1 ZINC000831028989 601291590 /nfs/dbraw/zinc/29/15/90/601291590.db2.gz DYEKVAYLUFPTNJ-GFCCVEGCSA-N -2 0 353.356 0.447 20 0 FCADRL NC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cn1 ZINC000324867754 601322554 /nfs/dbraw/zinc/32/25/54/601322554.db2.gz PCCJMHAPKKFUJA-UTCJRWHESA-N -2 0 350.356 0.267 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cn1 ZINC000831192527 601325904 /nfs/dbraw/zinc/32/59/04/601325904.db2.gz MSXUDRZDKMFQPP-DAXSKMNVSA-N -2 0 365.367 0.955 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cn1 ZINC000831192528 601326189 /nfs/dbraw/zinc/32/61/89/601326189.db2.gz MSXUDRZDKMFQPP-QPJJXVBHSA-N -2 0 365.367 0.955 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1 ZINC000067899394 601329457 /nfs/dbraw/zinc/32/94/57/601329457.db2.gz ZKVRNKYCEFRDJE-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1 ZINC000831123695 601361657 /nfs/dbraw/zinc/36/16/57/601361657.db2.gz BGHXHXYAKAZPJA-QPJJXVBHSA-N -2 0 366.355 0.350 20 0 FCADRL COc1cc(C(=O)N[C@H](C(=O)[O-])C2CC2)cc([N-]S(C)(=O)=O)c1OC ZINC000831871163 601630863 /nfs/dbraw/zinc/63/08/63/601630863.db2.gz BVMNJFRHTLDRAW-LBPRGKRZSA-N -2 0 372.399 0.668 20 0 FCADRL COC[C@@](C)(NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)C(=O)[O-] ZINC000831623842 601695830 /nfs/dbraw/zinc/69/58/30/601695830.db2.gz VWBYDBDVQURGIN-OAHLLOKOSA-N -2 0 351.384 0.442 20 0 FCADRL O=C([O-])C1(NC(=O)c2ccc3[n-]c(=S)oc3c2)CCS(=O)(=O)CC1 ZINC000833127560 601720839 /nfs/dbraw/zinc/72/08/39/601720839.db2.gz RGOPWPLDXSQKGZ-UHFFFAOYSA-N -2 0 370.408 0.878 20 0 FCADRL Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000832992254 601738669 /nfs/dbraw/zinc/73/86/69/601738669.db2.gz FFFQXFHLMKMFLE-CYBMUJFWSA-N -2 0 372.381 0.797 20 0 FCADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccnc1N1CCOCC1 ZINC000833347020 601768684 /nfs/dbraw/zinc/76/86/84/601768684.db2.gz ZRTKSVYHEVTRNN-UHFFFAOYSA-N -2 0 370.412 0.874 20 0 FCADRL Cc1nc([N-]S(=O)(=O)c2csnc2C(=O)[O-])n(-c2ccccc2)n1 ZINC000833003498 601770044 /nfs/dbraw/zinc/77/00/44/601770044.db2.gz RWWIXMOEXFZTKD-UHFFFAOYSA-N -2 0 365.396 0.953 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])c1cc(F)ccc1F ZINC000831077848 601786073 /nfs/dbraw/zinc/78/60/73/601786073.db2.gz CSHPQONCMZYKPV-RDDDGLTNSA-N -2 0 351.327 0.819 20 0 FCADRL Cc1nc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)n(-c2ccccc2)n1 ZINC000833003800 601795525 /nfs/dbraw/zinc/79/55/25/601795525.db2.gz XVBFPVWTUBCTAK-UHFFFAOYSA-N -2 0 362.371 0.080 20 0 FCADRL CCc1noc(CC)c1CC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000830348329 601808855 /nfs/dbraw/zinc/80/88/55/601808855.db2.gz YAQRLLBFKDYIDM-UHFFFAOYSA-N -2 0 373.431 0.500 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)CCOC2CCOCC2)c1 ZINC000833100641 601843384 /nfs/dbraw/zinc/84/33/84/601843384.db2.gz KGPLRXBKSJQKFW-UHFFFAOYSA-N -2 0 357.384 0.775 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)c2ccn(C3CCCC3)n2)CC1 ZINC000833148385 602035269 /nfs/dbraw/zinc/03/52/69/602035269.db2.gz IGATYPWYCQSTFX-UHFFFAOYSA-N -2 0 370.431 0.769 20 0 FCADRL CCOC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-])cc1 ZINC000829865786 602179138 /nfs/dbraw/zinc/17/91/38/602179138.db2.gz JUXFCMUUQPDWQO-SNVBAGLBSA-N -2 0 372.399 0.848 20 0 FCADRL Cc1nn(C)c(C)c1OCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833013476 602179605 /nfs/dbraw/zinc/17/96/05/602179605.db2.gz BCVWORQJXVTNAL-UHFFFAOYSA-N -2 0 373.412 0.681 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2nnc(-c3ccccn3)s2)cn1 ZINC000833274133 602306522 /nfs/dbraw/zinc/30/65/22/602306522.db2.gz RLHGMANENPRNKK-UHFFFAOYSA-N -2 0 366.384 0.682 20 0 FCADRL COc1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)ccc1NC(N)=O ZINC000832030483 602323025 /nfs/dbraw/zinc/32/30/25/602323025.db2.gz SPNRCGSXWFJTEA-UHFFFAOYSA-N -2 0 369.359 0.268 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000833228094 602385383 /nfs/dbraw/zinc/38/53/83/602385383.db2.gz FVCJQRKFNWHGRF-UHFFFAOYSA-N -2 0 370.362 0.390 20 0 FCADRL O=C([O-])NCCC(=O)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000738658398 602686135 /nfs/dbraw/zinc/68/61/35/602686135.db2.gz ZJJLZCKDMGORNO-UHFFFAOYSA-N -2 0 352.166 0.307 20 0 FCADRL CN(CC(=O)[N-]S(=O)(=O)c1ccc(-n2cccn2)c(F)c1)C(=O)[O-] ZINC000737393910 603073094 /nfs/dbraw/zinc/07/30/94/603073094.db2.gz UCFCRKZFPMHUTR-UHFFFAOYSA-N -2 0 356.335 0.426 20 0 FCADRL CN(CC(=O)[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1)C(=O)[O-] ZINC000828114963 604161516 /nfs/dbraw/zinc/16/15/16/604161516.db2.gz NCDQPQKAZNRHJB-UHFFFAOYSA-N -2 0 352.372 0.346 20 0 FCADRL Cc1ccc(-n2nccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)nn1 ZINC000832910050 604623312 /nfs/dbraw/zinc/62/33/12/604623312.db2.gz YMSPBWPBXDGZHH-UHFFFAOYSA-N -2 0 362.371 0.808 20 0 FCADRL CCCCn1ncc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1C ZINC000829446955 604665098 /nfs/dbraw/zinc/66/50/98/604665098.db2.gz IQTGMMFKXRQPSA-UHFFFAOYSA-N -2 0 372.447 0.763 20 0 FCADRL CC(=O)c1[nH]c(CC(=O)N2CCC[C@H](c3nnn[n-]3)C2)c(C(=O)[O-])c1C ZINC000833399653 605141846 /nfs/dbraw/zinc/14/18/46/605141846.db2.gz ADNKJUHAQXFJGO-JTQLQIEISA-N -2 0 360.374 0.686 20 0 FCADRL CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)ccn1 ZINC000833687368 605168004 /nfs/dbraw/zinc/16/80/04/605168004.db2.gz PKUXCBOXMDQTSN-UHFFFAOYSA-N -2 0 367.358 0.843 20 0 FCADRL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000833701002 605231725 /nfs/dbraw/zinc/23/17/25/605231725.db2.gz ZWHZEYXUCVWWIC-NEPJUHHUSA-N -2 0 368.411 0.742 20 0 FCADRL CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2cnc(C(=O)[O-])cn2)c1 ZINC000833495433 605241832 /nfs/dbraw/zinc/24/18/32/605241832.db2.gz ZYQPVCWECHEDBT-UHFFFAOYSA-N -2 0 353.360 0.146 20 0 FCADRL Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC000822623170 606710215 /nfs/dbraw/zinc/71/02/15/606710215.db2.gz PPJSOLPSQWIVGG-UHFFFAOYSA-N -2 0 363.359 0.028 20 0 FCADRL CNC(=O)COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1 ZINC000738014050 665728580 /nfs/dbraw/zinc/72/85/80/665728580.db2.gz JMQMTDNKTJKMQX-UHFFFAOYSA-N -2 0 354.344 0.034 20 0 FCADRL CCCCNC(=O)N[N-]S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000064375316 666457096 /nfs/dbraw/zinc/45/70/96/666457096.db2.gz NQMWDKYNIIZRSY-UHFFFAOYSA-N -2 0 373.387 0.449 20 0 FCADRL CC(C)S(=O)(=O)CC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000055476872 666541284 /nfs/dbraw/zinc/54/12/84/666541284.db2.gz DOUFHIJXGOFFEG-UHFFFAOYSA-N -2 0 366.399 0.162 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2)C(=O)[O-] ZINC000917716769 667083648 /nfs/dbraw/zinc/08/36/48/667083648.db2.gz AYVKPSBIIODQFQ-NSHDSACASA-N -3 0 371.367 0.470 20 0 FCADRL COC(=O)C[C@H](NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1)C(=O)[O-] ZINC000917729687 667084518 /nfs/dbraw/zinc/08/45/18/667084518.db2.gz LWXFPSROZXFHCY-LURJTMIESA-N -2 0 351.358 0.049 20 0 FCADRL C[C@@H](CN(C)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1nnn[n-]1 ZINC000758798412 667784733 /nfs/dbraw/zinc/78/47/33/667784733.db2.gz WKQJVPHJFIHONW-QMMMGPOBSA-N -2 0 359.415 0.611 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)Cc1cccnc1 ZINC000759643530 667815343 /nfs/dbraw/zinc/81/53/43/667815343.db2.gz IZHBVFZEADDXAN-UHFFFAOYSA-N -2 0 353.322 0.485 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@H](O)C(F)(F)F ZINC000923255078 667819839 /nfs/dbraw/zinc/81/98/39/667819839.db2.gz HPMHZHARTRDJIU-ACZMJKKPSA-N -2 0 352.231 0.506 20 0 FCADRL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1C(N)=O ZINC000760514339 667852203 /nfs/dbraw/zinc/85/22/03/667852203.db2.gz AQWCYMQPMVEQCB-UHFFFAOYSA-N -2 0 358.763 0.969 20 0 FCADRL Cc1[nH]nc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1C(N)=O ZINC000760516059 667852672 /nfs/dbraw/zinc/85/26/72/667852672.db2.gz QYQAYVGVKZICFJ-UHFFFAOYSA-N -2 0 360.298 0.594 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N=c2nc(C(F)(F)F)[n-]n2C)c[n-]1 ZINC000768570165 668086732 /nfs/dbraw/zinc/08/67/32/668086732.db2.gz SRYMEORQIFSTEO-UHFFFAOYSA-N -2 0 353.282 0.171 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)C3CCC3)cc2[n-]c1=S ZINC000774295186 668144358 /nfs/dbraw/zinc/14/43/58/668144358.db2.gz ZXOKOWASUVRZRR-UHFFFAOYSA-N -2 0 353.425 0.834 20 0 FCADRL C[C@@](O)(CNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)C(=O)[O-] ZINC000769750229 668151655 /nfs/dbraw/zinc/15/16/55/668151655.db2.gz RUKMVNBBOKBTKG-OAHLLOKOSA-N -2 0 351.384 0.027 20 0 FCADRL COc1cc(C(=O)OCc2n[nH]c(=O)[n-]2)cc([N-]S(C)(=O)=O)c1OC ZINC000774963383 668188161 /nfs/dbraw/zinc/18/81/61/668188161.db2.gz YHHHPWUUKLYSBY-UHFFFAOYSA-N -2 0 372.359 0.256 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000776644528 668282617 /nfs/dbraw/zinc/28/26/17/668282617.db2.gz BICXUJKCBYEDIH-UHFFFAOYSA-N -2 0 353.765 0.209 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000776645048 668282677 /nfs/dbraw/zinc/28/26/77/668282677.db2.gz JBROWAPREBEBAV-UHFFFAOYSA-N -2 0 359.747 0.443 20 0 FCADRL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)c1 ZINC000790005059 668869273 /nfs/dbraw/zinc/86/92/73/668869273.db2.gz JVNFCIIZQZXZID-UHFFFAOYSA-N -2 0 352.372 0.621 20 0 FCADRL Cn1cc(S(=O)(=O)N(CCO)c2ccccc2C(=O)[O-])cc1C(=O)[O-] ZINC000821093877 669156261 /nfs/dbraw/zinc/15/62/61/669156261.db2.gz PJWODIDYMRPFNS-UHFFFAOYSA-N -2 0 368.367 0.609 20 0 FCADRL O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc(=O)[nH][n-]1 ZINC000810020970 669657917 /nfs/dbraw/zinc/65/79/17/669657917.db2.gz JRHVSUIMBLBSRS-UHFFFAOYSA-N -2 0 365.396 0.758 20 0 FCADRL O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)[N-]OC1CCOCC1 ZINC000811164519 669740229 /nfs/dbraw/zinc/74/02/29/669740229.db2.gz SMYNTENNKFWEPG-UHFFFAOYSA-N -2 0 350.343 0.470 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c(F)cc1C ZINC000837290160 670094815 /nfs/dbraw/zinc/09/48/15/670094815.db2.gz PVTPCLOYBARQBX-UHFFFAOYSA-N -2 0 363.319 0.081 20 0 FCADRL CCc1cc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])[nH]n1 ZINC000851701454 671460814 /nfs/dbraw/zinc/46/08/14/671460814.db2.gz GRRGKPUZFUEDTO-WPRPVWTQSA-N -2 0 362.308 0.708 20 0 FCADRL Cc1nn(C)cc1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851702221 671461069 /nfs/dbraw/zinc/46/10/69/671461069.db2.gz KYXHIXSUPNQDJH-UWVGGRQHSA-N -2 0 362.308 0.465 20 0 FCADRL O=C([O-])CCCCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851703442 671461826 /nfs/dbraw/zinc/46/18/26/671461826.db2.gz PDMPKFKMFZWTHN-KCJUWKMLSA-N -2 0 368.308 0.754 20 0 FCADRL CCc1nc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])no1 ZINC000852736824 671521905 /nfs/dbraw/zinc/52/19/05/671521905.db2.gz OOJNQUSSUQLSBM-XVKPBYJWSA-N -2 0 350.297 0.728 20 0 FCADRL O=C([O-])COc1ccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1 ZINC000853062805 671536090 /nfs/dbraw/zinc/53/60/90/671536090.db2.gz UPOGBZKTJOPXPT-JTQLQIEISA-N -2 0 359.356 0.014 20 0 FCADRL CCc1ccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])cc1C(=O)[O-] ZINC000853062395 671536163 /nfs/dbraw/zinc/53/61/63/671536163.db2.gz NMCVRDFLCRZHMO-LLVKDONJSA-N -2 0 357.384 0.811 20 0 FCADRL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)cc1 ZINC000863958287 672166832 /nfs/dbraw/zinc/16/68/32/672166832.db2.gz SWDLKBLADKZKJY-UHFFFAOYSA-N -2 0 366.395 0.614 20 0 FCADRL O=C([O-])CCC(=O)[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000863958350 672167228 /nfs/dbraw/zinc/16/72/28/672167228.db2.gz VMLOQRWKLPXCHR-UHFFFAOYSA-N -2 0 356.278 0.692 20 0 FCADRL COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)[C@@]2(C(=O)[O-])CC2(C)C)c1 ZINC000863960191 672168031 /nfs/dbraw/zinc/16/80/31/672168031.db2.gz KIECOGYJGJZCAQ-MRXNPFEDSA-N -2 0 369.395 0.920 20 0 FCADRL COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)c1 ZINC000863960320 672168046 /nfs/dbraw/zinc/16/80/46/672168046.db2.gz LYMWZFMOYONUHN-UHFFFAOYSA-N -2 0 355.368 0.674 20 0 FCADRL Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)C3(C(=O)[O-])CCC3)cc12 ZINC000863962507 672169194 /nfs/dbraw/zinc/16/91/94/672169194.db2.gz NLTGNYUFZXEYOL-UHFFFAOYSA-N -2 0 352.372 0.337 20 0 FCADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2)C1CCCC1 ZINC000863962383 672169265 /nfs/dbraw/zinc/16/92/65/672169265.db2.gz JIKRTZHTNOFXHN-NSHDSACASA-N -2 0 357.388 0.362 20 0 FCADRL O=C([O-])CC1(C(=O)[N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)CCC1 ZINC000863962939 672169551 /nfs/dbraw/zinc/16/95/51/672169551.db2.gz CKDONPDCKMGXFX-UHFFFAOYSA-N -2 0 365.371 0.112 20 0 FCADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000863963486 672169962 /nfs/dbraw/zinc/16/99/62/672169962.db2.gz YCYMMTHXQBIFPV-CQSZACIVSA-N -2 0 354.340 0.839 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000863966059 672171455 /nfs/dbraw/zinc/17/14/55/672171455.db2.gz REMYQGIXZKUEPR-LLVKDONJSA-N -2 0 372.424 0.762 20 0 FCADRL Cc1cc(C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000552371613 1193926925 /nfs/dbraw/zinc/92/69/25/1193926925.db2.gz MPTIAMGLYIVGDQ-MWLCHTKSSA-N -2 0 364.402 0.632 20 0 FCADRL O=C(NC[C@H]1CCCOC1)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000057162511 1196501568 /nfs/dbraw/zinc/50/15/68/1196501568.db2.gz ZDAKCLJPNMTDSJ-GFCCVEGCSA-N -2 0 359.386 0.949 20 0 FCADRL COc1cccc([C@@]2(C)NC(=O)N([N-]C(=O)c3n[nH]c(C)c3[O-])C2=O)c1 ZINC000813547171 1202998212 /nfs/dbraw/zinc/99/82/12/1202998212.db2.gz NKQBELKPSRABSF-MRXNPFEDSA-N -2 0 359.342 0.544 20 0 FCADRL COc1ccc(CCCOC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1OC ZINC001225072946 1225802192 /nfs/dbraw/zinc/80/21/92/1225802192.db2.gz LIJPAAMKLOJZLW-NHYWBVRUSA-N -2 0 370.354 0.716 20 0 FCADRL CC(=O)Nc1ccc(C(C)=O)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001227183339 1225865426 /nfs/dbraw/zinc/86/54/26/1225865426.db2.gz QLNBYAWKVJDNQK-FZMZJTMJSA-N -2 0 367.310 0.289 20 0 FCADRL CCOC(=O)c1c(C)cc(O)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227213190 1225866211 /nfs/dbraw/zinc/86/62/11/1225866211.db2.gz SPVGRGYBQVSMRT-NOZJJQNGSA-N -2 0 370.310 0.319 20 0 FCADRL CCCc1c(O)ccc(C(C)=O)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228136381 1225896591 /nfs/dbraw/zinc/89/65/91/1225896591.db2.gz NSSJHZMSPYJQTP-RISCZKNCSA-N -2 0 368.338 0.989 20 0 FCADRL CCOC(=O)CCc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001228411745 1225920916 /nfs/dbraw/zinc/92/09/16/1225920916.db2.gz MGXIUPNONSNZBY-IUODEOHRSA-N -2 0 368.338 0.624 20 0 FCADRL O=C(c1nn(-c2ccccc2F)cc1[O-])N1CCC(O)(c2nnn[n-]2)CC1 ZINC000798148801 1221280775 /nfs/dbraw/zinc/28/07/75/1221280775.db2.gz RXBBPNAXBMZENE-UHFFFAOYSA-N -2 0 373.348 0.354 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(-n2ccccc2=O)cc1)[C@@H](O)C(=O)[O-] ZINC001229734621 1226031077 /nfs/dbraw/zinc/03/10/77/1226031077.db2.gz YZSVNBWDBFVTSD-SWLSCSKDSA-N -2 0 361.306 0.279 20 0 FCADRL CC(=O)Nc1cccc(C(C)=O)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230927232 1226091411 /nfs/dbraw/zinc/09/14/11/1226091411.db2.gz JCLHSEHYAIHAKR-GWCFXTLKSA-N -2 0 367.310 0.289 20 0 FCADRL COC(=O)[C@@H](C)Oc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001231268880 1226102946 /nfs/dbraw/zinc/10/29/46/1226102946.db2.gz ZWIXVIZZGBNTNF-WLTAIBSBSA-N -2 0 370.310 0.069 20 0 FCADRL COC(=O)[C@@H](C)Oc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001231268879 1226103018 /nfs/dbraw/zinc/10/30/18/1226103018.db2.gz ZWIXVIZZGBNTNF-DYLAAIIWSA-N -2 0 370.310 0.069 20 0 FCADRL COC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC001153482985 1222976598 /nfs/dbraw/zinc/97/65/98/1222976598.db2.gz OPIJZRYZHDHKSM-QMMMGPOBSA-N -2 0 368.296 0.767 20 0 FCADRL Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2n[nH]c(C)c2[O-])c1[O-] ZINC000996086866 1251154845 /nfs/dbraw/zinc/15/48/45/1251154845.db2.gz IKQSEVHIPGKHGJ-UTLUCORTSA-N -2 0 360.374 0.336 20 0 FCADRL O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1O)c1cnc[nH]c1=O ZINC000997665821 1251661854 /nfs/dbraw/zinc/66/18/54/1251661854.db2.gz XAFPQWUWYAJCQZ-USWWRNFRSA-N -2 0 355.354 0.458 20 0 FCADRL COc1cc2c(ccnc2OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1F ZINC001234866486 1259564459 /nfs/dbraw/zinc/56/44/59/1259564459.db2.gz BUJGKKSQOKXPDZ-RNCFNFMXSA-N -2 0 367.285 0.824 20 0 FCADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001318314512 1263561410 /nfs/dbraw/zinc/56/14/10/1263561410.db2.gz RPTYYWSEGXXVRP-UHFFFAOYSA-N -2 0 371.382 0.440 20 0 FCADRL Cc1nocc1CNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC001561602727 1269247282 /nfs/dbraw/zinc/24/72/82/1269247282.db2.gz YXOWDNDAIARRMS-UHFFFAOYSA-N -2 0 363.392 0.972 20 0 FCADRL CCCN(CC(=O)OCC)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001577575925 1274542956 /nfs/dbraw/zinc/54/29/56/1274542956.db2.gz HGPLNHHIPVHJHC-UHFFFAOYSA-N -2 0 360.378 0.390 20 0 FCADRL CCOC(=O)[C@@H](C)N(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CC1 ZINC001578242553 1275544616 /nfs/dbraw/zinc/54/46/16/1275544616.db2.gz KHGXGXYFPLFXFR-SECBINFHSA-N -2 0 372.389 0.531 20 0 FCADRL COC(=O)[C@H](C)N(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CCC1 ZINC001579431463 1277299084 /nfs/dbraw/zinc/29/90/84/1277299084.db2.gz CRKSZDPZXRFLRV-VIFPVBQESA-N -2 0 372.389 0.531 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1c[nH]c(Br)c1 ZINC001603187711 1287325303 /nfs/dbraw/zinc/32/53/03/1287325303.db2.gz JFPDHKIWVYXWGJ-WDSKDSINSA-N -2 0 353.194 0.946 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CSC[C@H]1CCCCO1 ZINC001603188192 1287324936 /nfs/dbraw/zinc/32/49/36/1287324936.db2.gz MTDUKIZORCRGTI-GARJFASQSA-N -2 0 353.462 0.844 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2cc[nH]c(=O)c2s1 ZINC001603187561 1287325072 /nfs/dbraw/zinc/32/50/72/1287325072.db2.gz IPVOOTDGNGMKAU-RQJHMYQMSA-N -2 0 358.397 0.758 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(F)F)nc1 ZINC001603190244 1287326032 /nfs/dbraw/zinc/32/60/32/1287326032.db2.gz VNWJDJSCYRGDBI-SFYZADRCSA-N -2 0 366.342 0.894 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC001603201210 1287327660 /nfs/dbraw/zinc/32/76/60/1287327660.db2.gz FLKVAMLJEPYYTQ-RKDXNWHRSA-N -2 0 364.420 0.551 20 0 FCADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 ZINC001603203686 1287328901 /nfs/dbraw/zinc/32/89/01/1287328901.db2.gz XCWXLTPNUYVYAD-VIFPVBQESA-N -2 0 371.350 0.168 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001603202477 1287329073 /nfs/dbraw/zinc/32/90/73/1287329073.db2.gz CMTJYNFRKSPXJO-IONNQARKSA-N -2 0 359.433 0.952 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC001603203644 1287329108 /nfs/dbraw/zinc/32/91/08/1287329108.db2.gz CPABGMONDOLJIL-VIFPVBQESA-N -2 0 360.363 0.195 20 0 FCADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001603203140 1287329149 /nfs/dbraw/zinc/32/91/49/1287329149.db2.gz OSZDANNKSUEOKP-JTQLQIEISA-N -2 0 353.360 0.028 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H](c1ccccc1F)N1CCOCC1 ZINC001603201831 1287329461 /nfs/dbraw/zinc/32/94/61/1287329461.db2.gz MIWFSUKDEZCUHV-ZWNOBZJWSA-N -2 0 374.390 0.118 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)COc1ccc(N2CCCC2=O)cc1 ZINC001603204331 1287329490 /nfs/dbraw/zinc/32/94/90/1287329490.db2.gz NGULDXNJWUGNGT-JTQLQIEISA-N -2 0 370.383 0.111 20 0 FCADRL CC(C)C(=O)Nc1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])ccn1 ZINC001603705885 1287475200 /nfs/dbraw/zinc/47/52/00/1287475200.db2.gz GBFLFIXBIDWNHL-UHFFFAOYSA-N -2 0 371.415 0.847 20 0 FCADRL CC(C)C[C@H](CNC(=O)C(=O)N1CCSC[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC001603770684 1287491070 /nfs/dbraw/zinc/49/10/70/1287491070.db2.gz ZRVMLWRGFZSOKM-GHMZBOCLSA-N -2 0 360.432 0.126 20 0 FCADRL O=C1c2ccccc2CN1[N-]S(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC001582791020 1282009181 /nfs/dbraw/zinc/00/91/81/1282009181.db2.gz USDBMSCVUXCWJC-UHFFFAOYSA-N -2 0 374.357 0.855 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001603971756 1287546106 /nfs/dbraw/zinc/54/61/06/1287546106.db2.gz QRFYYLYMJZDITH-BBBLOLIVSA-N -2 0 354.325 0.828 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001603971626 1287546496 /nfs/dbraw/zinc/54/64/96/1287546496.db2.gz KOKUYGKZTXSGPO-IUCAKERBSA-N -2 0 356.366 0.966 20 0 FCADRL O=C(c1nn(-c2ccccc2F)cc1[O-])N1CCOC[C@@H]1c1nnn[n-]1 ZINC001586806196 1282315482 /nfs/dbraw/zinc/31/54/82/1282315482.db2.gz POJFAHYZDHGICP-LLVKDONJSA-N -2 0 359.321 0.444 20 0 FCADRL C[C@@H]1C[C@@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCC1=O ZINC001590184623 1283291251 /nfs/dbraw/zinc/29/12/51/1283291251.db2.gz JFUOEGTZFQFRKA-BDAKNGLRSA-N -2 0 371.357 0.664 20 0 FCADRL CC[C@@H](C(=O)[O-])N(C)C(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C ZINC001590370215 1283503526 /nfs/dbraw/zinc/50/35/26/1283503526.db2.gz AZDOWOKDRHSEAQ-NSHDSACASA-N -2 0 362.390 0.838 20 0 FCADRL CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)c2ccc(OCC(=O)[O-])cc2)CO1 ZINC001604518642 1287650873 /nfs/dbraw/zinc/65/08/73/1287650873.db2.gz JTIQIQARHKSKDW-LBPRGKRZSA-N -2 0 357.384 0.777 20 0 FCADRL C[C@@]12CCC(=O)N1[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)CS2 ZINC001604605745 1287680800 /nfs/dbraw/zinc/68/08/00/1287680800.db2.gz LPTKWWISLJPWCK-ISVAXAHUSA-N -2 0 374.396 0.237 20 0 FCADRL COCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001591407207 1284548010 /nfs/dbraw/zinc/54/80/10/1284548010.db2.gz HLXZKBDWFFIIHW-SECBINFHSA-N -2 0 354.392 0.129 20 0 FCADRL Cn1cc(CCC(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)cn1 ZINC001592569529 1285485076 /nfs/dbraw/zinc/48/50/76/1285485076.db2.gz STHFKHORKVXCBP-UHFFFAOYSA-N -2 0 369.345 0.025 20 0 FCADRL O=C(CC1(O)CCCCC1)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001592806603 1285727550 /nfs/dbraw/zinc/72/75/50/1285727550.db2.gz GYMLCTNXNVJXBL-UHFFFAOYSA-N -2 0 373.373 0.744 20 0 FCADRL O=C([O-])[C@H]1CC12CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)o1)CC2 ZINC001593272848 1286057391 /nfs/dbraw/zinc/05/73/91/1286057391.db2.gz CSIQEFHCVVGFKH-MRVPVSSYSA-N -2 0 353.360 0.335 20 0 FCADRL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C1CCC1 ZINC001593276058 1286058954 /nfs/dbraw/zinc/05/89/54/1286058954.db2.gz JOQOLYOIBKSHEL-JTQLQIEISA-N -2 0 373.341 0.677 20 0 FCADRL O=C1COc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)o3)cc2N1 ZINC001593400334 1286121266 /nfs/dbraw/zinc/12/12/66/1286121266.db2.gz YERYQAXGEPRZRU-UHFFFAOYSA-N -2 0 362.327 0.591 20 0 FCADRL C[C@@H](O)[C@H](NC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC001599845103 1286415967 /nfs/dbraw/zinc/41/59/67/1286415967.db2.gz JDQIZOCRXCLLMK-OTYXRUKQSA-N -2 0 366.395 0.775 20 0 FCADRL Cc1c(CC(=O)[N-]S(=O)(=O)CCC(=O)[O-])nnn1-c1ccccc1 ZINC001600010832 1286423302 /nfs/dbraw/zinc/42/33/02/1286423302.db2.gz FKHFTNZWRHPYRP-UHFFFAOYSA-N -2 0 352.372 0.039 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2cnn(C3CCOCC3)c2)cnn1CC(=O)[O-] ZINC001600055154 1286433889 /nfs/dbraw/zinc/43/38/89/1286433889.db2.gz XKPTUJAHQCAQNH-UHFFFAOYSA-N -2 0 369.403 0.625 20 0 FCADRL Cc1c(S(=O)(=O)[N-]c2ccc(CC(=O)NCC(=O)[O-])cc2)cnn1C ZINC001600058367 1286434020 /nfs/dbraw/zinc/43/40/20/1286434020.db2.gz SBQGZUPAHHVJNR-UHFFFAOYSA-N -2 0 366.399 0.273 20 0 FCADRL Cc1cc(C(=O)NC[C@H](O)C(=O)[O-])ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001600094880 1286440716 /nfs/dbraw/zinc/44/07/16/1286440716.db2.gz WRXCWJPTLLVUFX-VIFPVBQESA-N -2 0 370.305 0.432 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])ccc1N1CCOCC1 ZINC001600096673 1286440781 /nfs/dbraw/zinc/44/07/81/1286440781.db2.gz XRMIODXZGSORMR-NSHDSACASA-N -2 0 356.400 0.364 20 0 FCADRL Cc1cc(C)cc(C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])C(=O)[O-])c1 ZINC001600172589 1286449756 /nfs/dbraw/zinc/44/97/56/1286449756.db2.gz YQSDNBWULWVLPW-CYBMUJFWSA-N -2 0 358.416 0.540 20 0 FCADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001600224740 1286454889 /nfs/dbraw/zinc/45/48/89/1286454889.db2.gz QITFQEGZTRPAGC-PRHODGIISA-N -2 0 361.347 0.600 20 0 FCADRL Cc1cc(N2CCC(NS(=O)(=O)c3csnc3C(=O)[O-])CC2)n[nH]1 ZINC001600239492 1286457963 /nfs/dbraw/zinc/45/79/63/1286457963.db2.gz VSVJIDFOCUJYJP-UHFFFAOYSA-N -2 0 371.444 0.820 20 0 FCADRL Cc1cc(N2CC[C@H](NS(=O)(=O)CC3(C(=O)[O-])CCC3)C2=O)n(C)n1 ZINC001600239505 1286458160 /nfs/dbraw/zinc/45/81/60/1286458160.db2.gz WITTXXZSWICMEC-NSHDSACASA-N -2 0 370.431 0.008 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)c2cn(CC3CC3)nn2)oc1C(=O)[O-] ZINC001600297779 1286471622 /nfs/dbraw/zinc/47/16/22/1286471622.db2.gz VDRWVQIWBUMHSN-UHFFFAOYSA-N -2 0 354.344 0.406 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)c2cnn3c2CCCC3)oc1C(=O)[O-] ZINC001600297699 1286471794 /nfs/dbraw/zinc/47/17/94/1286471794.db2.gz RNEQUMZGBPEQQZ-UHFFFAOYSA-N -2 0 353.356 0.938 20 0 FCADRL Cc1ccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])CC2=O)cc1 ZINC001600435490 1286485571 /nfs/dbraw/zinc/48/55/71/1286485571.db2.gz QFSMPMRWVKIAOK-MNOVXSKESA-N -2 0 354.384 0.267 20 0 FCADRL Cc1cccc(COCC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001600534409 1286502930 /nfs/dbraw/zinc/50/29/30/1286502930.db2.gz GJKGFKFBMVANID-UHFFFAOYSA-N -2 0 370.427 0.669 20 0 FCADRL Cc1ccccc1N(CCC(=O)[O-])S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001600582609 1286510398 /nfs/dbraw/zinc/51/03/98/1286510398.db2.gz VOIJSZHUXJMDDV-UHFFFAOYSA-N -2 0 367.383 0.946 20 0 FCADRL Cc1ccnc(-n2cc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-])cn2)c1 ZINC001600597505 1286511592 /nfs/dbraw/zinc/51/15/92/1286511592.db2.gz KZJWPNIUSSEODL-JTQLQIEISA-N -2 0 352.372 0.491 20 0 FCADRL Cc1cnc(COCC(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)o1 ZINC001600621525 1286516169 /nfs/dbraw/zinc/51/61/69/1286516169.db2.gz CJWLBTJZJYHYAH-UHFFFAOYSA-N -2 0 358.328 0.604 20 0 FCADRL Cc1cnn(C[C@@H](NS(=O)(=O)CC2(C(=O)[O-])CCCCC2)C(=O)[O-])c1 ZINC001600636420 1286518657 /nfs/dbraw/zinc/51/86/57/1286518657.db2.gz BGQPXXDIKJZYMW-GFCCVEGCSA-N -2 0 373.431 0.599 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)C(F)(F)F)c1C(=O)[O-] ZINC001600673457 1286525282 /nfs/dbraw/zinc/52/52/82/1286525282.db2.gz QUNOEYCASIPWNB-BYPYZUCNSA-N -2 0 367.252 0.253 20 0 FCADRL Cc1nc2ccccc2n1CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001600729052 1286533409 /nfs/dbraw/zinc/53/34/09/1286533409.db2.gz GEUCYMCZMPTNJC-ZJUUUORDSA-N -2 0 353.400 0.900 20 0 FCADRL Cc1ncc(S(=O)(=O)[N-]c2ccc(-n3cncn3)cn2)cc1C(=O)[O-] ZINC001600747236 1286536476 /nfs/dbraw/zinc/53/64/76/1286536476.db2.gz RDGOHLQDXBJPCF-UHFFFAOYSA-N -2 0 360.355 0.865 20 0 FCADRL Cc1ncc(S(=O)(=O)[N-]c2cccnc2-n2cncn2)cc1C(=O)[O-] ZINC001600747093 1286536583 /nfs/dbraw/zinc/53/65/83/1286536583.db2.gz HNVIWBWHAHOSLR-UHFFFAOYSA-N -2 0 360.355 0.865 20 0 FCADRL Cc1nccc(CCC(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])n1 ZINC001600748831 1286537289 /nfs/dbraw/zinc/53/72/89/1286537289.db2.gz MBIMHSXRIHBVER-UHFFFAOYSA-N -2 0 356.385 0.377 20 0 FCADRL Cc1ncsc1[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC001600760487 1286540549 /nfs/dbraw/zinc/54/05/49/1286540549.db2.gz DYPUYCWCYHTAEQ-SECBINFHSA-N -2 0 363.417 0.208 20 0 FCADRL Cc1nn(C2CCOCC2)c(C)c1C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001600777302 1286541908 /nfs/dbraw/zinc/54/19/08/1286541908.db2.gz BYKPWXXMNVCVEM-SNVBAGLBSA-N -2 0 359.404 0.384 20 0 FCADRL Cc1nc(-c2ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])cc2)n[nH]1 ZINC001600790881 1286545789 /nfs/dbraw/zinc/54/57/89/1286545789.db2.gz WRFZYYHAYCELHN-IUCAKERBSA-N -2 0 366.399 0.949 20 0 FCADRL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001600809771 1286549913 /nfs/dbraw/zinc/54/99/13/1286549913.db2.gz LWFQOQJGEPEUPX-UHFFFAOYSA-N -2 0 354.340 0.874 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@@H]1CCCO1 ZINC001600834397 1286553210 /nfs/dbraw/zinc/55/32/10/1286553210.db2.gz OLPWCDKBDOEMTQ-ZJUUUORDSA-N -2 0 361.372 0.675 20 0 FCADRL Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3cccc(CC(=O)[O-])n3)ccc21 ZINC001600897549 1286565120 /nfs/dbraw/zinc/56/51/20/1286565120.db2.gz DGXKRGAKHIJJLI-UHFFFAOYSA-N -2 0 363.351 0.954 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)N3CCN(CC(=O)[O-])CC3)cc2[n-]c1=S ZINC001600919913 1286569269 /nfs/dbraw/zinc/56/92/69/1286569269.db2.gz ICPMYUNSCORRQU-UHFFFAOYSA-N -2 0 362.411 0.065 20 0 FCADRL Cn1cc(NC(=O)C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)cc1C(=O)[O-] ZINC001600959341 1286580234 /nfs/dbraw/zinc/58/02/34/1286580234.db2.gz QIXVIUQGSQRDOE-GOSISDBHSA-N -2 0 373.365 0.821 20 0 FCADRL Cn1cc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)cc1C(=O)[O-] ZINC001600966872 1286583286 /nfs/dbraw/zinc/58/32/86/1286583286.db2.gz KJJACQMQVBGLSO-UHFFFAOYSA-N -2 0 355.376 0.115 20 0 FCADRL Cn1nc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001601007774 1286596240 /nfs/dbraw/zinc/59/62/40/1286596240.db2.gz CODSGTMHPVLHCB-UHFFFAOYSA-N -2 0 353.282 0.521 20 0 FCADRL Cn1nc(Cl)c(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1Cl ZINC001601011626 1286599000 /nfs/dbraw/zinc/59/90/00/1286599000.db2.gz MTCJNXLCHVUUOX-UHFFFAOYSA-N -2 0 358.203 0.897 20 0 FCADRL Cn1ncc2c1N(Cc1ccc(C(=O)[O-])c(F)c1)S(=O)(=O)C=C2[O-] ZINC001601033064 1286611653 /nfs/dbraw/zinc/61/16/53/1286611653.db2.gz WBWYUVUNWABSTQ-UHFFFAOYSA-N -2 0 353.331 0.790 20 0 FCADRL Cn1nccc1[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)C(=O)[O-] ZINC001601034524 1286612782 /nfs/dbraw/zinc/61/27/82/1286612782.db2.gz YKWHMQKFKUXUFT-NSHDSACASA-N -2 0 359.367 0.913 20 0 FCADRL Cn1nccc1COCC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001601037586 1286614948 /nfs/dbraw/zinc/61/49/48/1286614948.db2.gz CLQBKHFWJQIDHS-UHFFFAOYSA-N -2 0 367.383 0.281 20 0 FCADRL Cn1nccc1COCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001601037883 1286615650 /nfs/dbraw/zinc/61/56/50/1286615650.db2.gz MEQHJCRTZWFTLW-UHFFFAOYSA-N -2 0 359.385 0.202 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC001601200114 1286696365 /nfs/dbraw/zinc/69/63/65/1286696365.db2.gz UTSUAKXDLKDVFG-LLVKDONJSA-N -2 0 354.384 0.367 20 0 FCADRL Nc1cn[n-]c(=NNS(=O)(=O)c2cccc(F)c2C(=O)[O-])c1Cl ZINC001601219095 1286701393 /nfs/dbraw/zinc/70/13/93/1286701393.db2.gz WBHOEBOKBHPGAQ-UHFFFAOYSA-N -2 0 361.742 0.855 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)CCOC[C@H]2CCCO2)c1 ZINC001601282037 1286712172 /nfs/dbraw/zinc/71/21/72/1286712172.db2.gz XRUFTJRRXGOXPG-CQSZACIVSA-N -2 0 371.411 0.917 20 0 FCADRL O=C([O-])[C@]1(O)CCN(C(=O)CCn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC001601299106 1286714935 /nfs/dbraw/zinc/71/49/35/1286714935.db2.gz VMDBXMQUSZVGIO-INIZCTEOSA-N -2 0 363.395 0.123 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)CN2CCN(C3CC3)C2=O)s1 ZINC001601314272 1286723590 /nfs/dbraw/zinc/72/35/90/1286723590.db2.gz ASRCPMPMYKJNOT-UHFFFAOYSA-N -2 0 373.412 0.151 20 0 FCADRL O=C([O-])c1cnc(S(=O)(=O)CC(=O)NC[C@H]2Cc3ccccc3O2)[n-]1 ZINC001601346744 1286733130 /nfs/dbraw/zinc/73/31/30/1286733130.db2.gz AZZSHISOLXCIMI-SNVBAGLBSA-N -2 0 365.367 0.002 20 0 FCADRL O=C([O-])[C@H](Cn1ccnc1)NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001601426257 1286745014 /nfs/dbraw/zinc/74/50/14/1286745014.db2.gz VUFCAGWCSGVPQC-LBPRGKRZSA-N -2 0 359.317 0.797 20 0 FCADRL O=C([O-])[C@@H](O)CCNC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC001601509851 1286773685 /nfs/dbraw/zinc/77/36/85/1286773685.db2.gz NWCCETKPMNWAKX-VIFPVBQESA-N -2 0 370.305 0.514 20 0 FCADRL O=C([O-])c1nc(CNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)ccc1Cl ZINC001601537771 1286780934 /nfs/dbraw/zinc/78/09/34/1286780934.db2.gz GOUXXUAHBHOFHC-UHFFFAOYSA-N -2 0 369.761 0.373 20 0 FCADRL O=C([O-])[C@@H](Cc1ncccn1)NS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001601662558 1286803843 /nfs/dbraw/zinc/80/38/43/1286803843.db2.gz JDUUVCQFTMPOKW-SNVBAGLBSA-N -2 0 357.388 0.037 20 0 FCADRL O=C([O-])[C@@H]1CC(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])=NN1c1ccccc1 ZINC001601750712 1286821412 /nfs/dbraw/zinc/82/14/12/1286821412.db2.gz KCDBECASCQBWSL-IHRRRGAJSA-N -2 0 361.354 0.142 20 0 FCADRL CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001609662543 1289275899 /nfs/dbraw/zinc/27/58/99/1289275899.db2.gz MUQJHBXXBHEXKD-VIFPVBQESA-N -2 0 350.393 0.307 20 0 FCADRL O=C([O-])/C=C/CNS(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001601871753 1286860403 /nfs/dbraw/zinc/86/04/03/1286860403.db2.gz ZWCWIQDDIBFORF-OWOJBTEDSA-N -2 0 354.134 0.659 20 0 FCADRL O=C([O-])C[C@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C1CC1 ZINC001601901455 1286864494 /nfs/dbraw/zinc/86/44/94/1286864494.db2.gz SEHMOPVHFMWFJO-NSHDSACASA-N -2 0 362.354 0.613 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1CCOCC1 ZINC001601906577 1286865688 /nfs/dbraw/zinc/86/56/88/1286865688.db2.gz LVHPCDCVSMFQPF-AGIUHOORSA-N -2 0 363.432 0.819 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1scnc1C(=O)[O-])c1ccccn1 ZINC001601908584 1286866205 /nfs/dbraw/zinc/86/62/05/1286866205.db2.gz HOBXEHYYGQVABA-QMMMGPOBSA-N -2 0 357.369 0.731 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC001601915317 1286870211 /nfs/dbraw/zinc/87/02/11/1286870211.db2.gz UMKDHMXXINPDTH-CQSZACIVSA-N -3 0 357.340 0.325 20 0 FCADRL O=C([O-])CC1(C[N@@H+]2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])CC1 ZINC001601915523 1286871372 /nfs/dbraw/zinc/87/13/72/1286871372.db2.gz NHSLAJHOYKRFDG-SCZZXKLOSA-N -2 0 352.309 0.837 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccccc2)CC1 ZINC001601921706 1286871438 /nfs/dbraw/zinc/87/14/38/1286871438.db2.gz JRYDWSBREDWLKX-QWHCGFSZSA-N -2 0 357.384 0.348 20 0 FCADRL O=C([O-])C[C@H]1COCCN1S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001601964281 1286887636 /nfs/dbraw/zinc/88/76/36/1286887636.db2.gz ARAXREYEZRDLGU-LBPRGKRZSA-N -2 0 369.395 0.667 20 0 FCADRL O=C([O-])CCC[C@@H]1CCCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001601981978 1286891989 /nfs/dbraw/zinc/89/19/89/1286891989.db2.gz XMFPQJIZXBYFCF-NSHDSACASA-N -2 0 359.404 0.766 20 0 FCADRL O=C([O-])CC[C@H]1CCCN(C(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)C1 ZINC001601975116 1286892271 /nfs/dbraw/zinc/89/22/71/1286892271.db2.gz UVASHSPWSKMKRM-YPMHNXCESA-N -2 0 354.403 0.707 20 0 FCADRL O=C([O-])CCCS(=O)(=O)NCCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001601999603 1286893449 /nfs/dbraw/zinc/89/34/49/1286893449.db2.gz QZPPAOXVSCHHIN-UHFFFAOYSA-N -2 0 355.372 0.588 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(OCC(F)(F)F)cn1 ZINC001601998934 1286893472 /nfs/dbraw/zinc/89/34/72/1286893472.db2.gz BLJJJHYMWZNNFR-UHFFFAOYSA-N -2 0 370.305 0.947 20 0 FCADRL O=C([O-])CCN1CCN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC001602012635 1286898477 /nfs/dbraw/zinc/89/84/77/1286898477.db2.gz KXCYIKIOLMMPKK-UHFFFAOYSA-N -2 0 356.400 0.095 20 0 FCADRL O=C([O-])CCN1CCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1 ZINC001602013490 1286898592 /nfs/dbraw/zinc/89/85/92/1286898592.db2.gz QPRKMNLLJOEFME-UHFFFAOYSA-N -2 0 360.363 0.305 20 0 FCADRL O=C([O-])CN(Cc1ccccn1)S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001602060306 1286915088 /nfs/dbraw/zinc/91/50/88/1286915088.db2.gz JYAOVOWQBCBBMF-UHFFFAOYSA-N -2 0 356.400 0.943 20 0 FCADRL O=C([O-])CNC(=O)CN1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001602065953 1286919464 /nfs/dbraw/zinc/91/94/64/1286919464.db2.gz MFBGPXLGFAVMQX-HNNXBMFYSA-N -2 0 369.805 0.284 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC001602097464 1286934428 /nfs/dbraw/zinc/93/44/28/1286934428.db2.gz PYEMGXHNBZCAST-UHFFFAOYSA-N -2 0 361.803 0.919 20 0 FCADRL O=C([O-])Cc1cc(Br)ccc1S(=O)(=O)[N-]c1nnc[nH]1 ZINC001602118701 1286940783 /nfs/dbraw/zinc/94/07/83/1286940783.db2.gz LZYDVLXILZXLIQ-UHFFFAOYSA-N -2 0 361.177 0.995 20 0 FCADRL O=C([O-])Cc1ccc(CCNS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC001602118741 1286941720 /nfs/dbraw/zinc/94/17/20/1286941720.db2.gz NQTSCVKSPQUPMT-UHFFFAOYSA-N -2 0 367.383 0.116 20 0 FCADRL O=C([O-])Cc1cccc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@]3(CCOC3)C2)c1 ZINC001602141316 1286946811 /nfs/dbraw/zinc/94/68/11/1286946811.db2.gz DDANOLMZNVATSF-CZUORRHYSA-N -2 0 369.395 0.426 20 0 FCADRL O=C([O-])Cc1cccc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)c1 ZINC001602141309 1286947469 /nfs/dbraw/zinc/94/74/69/1286947469.db2.gz CXMFGQXMIXTBPT-UHFFFAOYSA-N -2 0 366.399 0.706 20 0 FCADRL O=C([O-])Cn1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)n1 ZINC001602164571 1286954051 /nfs/dbraw/zinc/95/40/51/1286954051.db2.gz ILZBBAVDYUCLFR-UHFFFAOYSA-N -2 0 373.300 0.407 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccc(OCC(F)F)n2)cn1 ZINC001602164931 1286955757 /nfs/dbraw/zinc/95/57/57/1286955757.db2.gz SURQBDJHRBBBBR-UHFFFAOYSA-N -2 0 362.314 0.807 20 0 FCADRL O=C([O-])[C@H]1CSCN1S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001602214017 1286969429 /nfs/dbraw/zinc/96/94/29/1286969429.db2.gz DHVDJEDBVANNLN-LLVKDONJSA-N -2 0 357.409 0.951 20 0 FCADRL O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001602221316 1286971614 /nfs/dbraw/zinc/97/16/14/1286971614.db2.gz SPDIZVIHMUQDGA-ZYHUDNBSSA-N -2 0 355.368 0.011 20 0 FCADRL O=C([O-])c1cc(F)cc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC001602273337 1286980018 /nfs/dbraw/zinc/98/00/18/1286980018.db2.gz RCYVOUHBOMSTOW-MRVPVSSYSA-N -2 0 370.362 0.916 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)cc(F)c1F ZINC001602293874 1286985438 /nfs/dbraw/zinc/98/54/38/1286985438.db2.gz UDPZOFNCDSMQTJ-KBUNVGBDSA-N -2 0 365.310 0.431 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC001602353666 1286990445 /nfs/dbraw/zinc/99/04/45/1286990445.db2.gz FPEGAIYQZBGUKP-GFCCVEGCSA-N -2 0 366.395 0.342 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)cc1 ZINC001602353641 1286991254 /nfs/dbraw/zinc/99/12/54/1286991254.db2.gz DBVCDSQZRNYLOV-UHFFFAOYSA-N -3 0 353.352 0.752 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)o1 ZINC001602394513 1286993610 /nfs/dbraw/zinc/99/36/10/1286993610.db2.gz VJMNZEAGSDAPKR-UHFFFAOYSA-N -2 0 356.278 0.277 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)cc1 ZINC001602395011 1286994569 /nfs/dbraw/zinc/99/45/69/1286994569.db2.gz IQNIUAFKYUWLKF-UHFFFAOYSA-N -2 0 352.372 0.777 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)c(Cl)c1 ZINC001602397660 1286996530 /nfs/dbraw/zinc/99/65/30/1286996530.db2.gz HDNQXVOZGGNBSF-UHFFFAOYSA-N -2 0 363.775 0.950 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)NC[C@@H](Cc2ccccn2)C(=O)[O-])cn1 ZINC001602398326 1286996716 /nfs/dbraw/zinc/99/67/16/1286996716.db2.gz AYEMADNJDRJBAB-SNVBAGLBSA-N -2 0 365.367 0.397 20 0 FCADRL O=C([O-])c1ccoc1S(=O)(=O)[N-]N1C(=O)NC2(CCCCC2)C1=O ZINC001602487604 1287010739 /nfs/dbraw/zinc/01/07/39/1287010739.db2.gz CWWDDJIHFFNTMC-UHFFFAOYSA-N -2 0 357.344 0.426 20 0 FCADRL O=C([O-])c1cn([C@H]2CCCN(C(=O)NCC3(C(=O)[O-])CCC3)C2)nn1 ZINC001602493968 1287012279 /nfs/dbraw/zinc/01/22/79/1287012279.db2.gz PAIVXZRXXAUXJU-JTQLQIEISA-N -2 0 351.363 0.578 20 0 FCADRL O=C([O-])c1cn([C@H]2CCCN(C(=O)NC[C@@H](C(=O)[O-])C3CCC3)C2)nn1 ZINC001602494275 1287013311 /nfs/dbraw/zinc/01/33/11/1287013311.db2.gz RFITZGGPCGTCQR-NWDGAFQWSA-N -2 0 365.390 0.824 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1cccnc1N1CCOCC1 ZINC001602584177 1287030650 /nfs/dbraw/zinc/03/06/50/1287030650.db2.gz CJOSHMLGXHYLHZ-UHFFFAOYSA-N -2 0 370.412 0.874 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)[C@@H]1OCCc2ccccc21 ZINC001602583576 1287030724 /nfs/dbraw/zinc/03/07/24/1287030724.db2.gz PFTZDMDKZKWAFS-LLVKDONJSA-N -2 0 368.392 0.960 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)c1occ2c1CCOC2 ZINC001602583896 1287030823 /nfs/dbraw/zinc/03/08/23/1287030823.db2.gz UYFPSRSTXCVFRG-UHFFFAOYSA-N -2 0 358.353 0.626 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001602583042 1287031098 /nfs/dbraw/zinc/03/10/98/1287031098.db2.gz IZBPQQWYPPIFOP-LURJTMIESA-N -2 0 356.385 0.174 20 0 FCADRL O=C([O-])[C@]1(O)CCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC001602629069 1287039506 /nfs/dbraw/zinc/03/95/06/1287039506.db2.gz GKUCCLMXKSNQNQ-HNNXBMFYSA-N -2 0 351.746 0.893 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)cc1Cl ZINC001602632421 1287041457 /nfs/dbraw/zinc/04/14/57/1287041457.db2.gz TVUSBVYKJAQLPC-SSDOTTSWSA-N -2 0 360.775 0.369 20 0 FCADRL O=C([O-])C(F)=C(Nc1cccnc1Cl)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001602655980 1287051865 /nfs/dbraw/zinc/05/18/65/1287051865.db2.gz JLPPODGCGVHLEJ-LURJTMIESA-N -2 0 358.738 0.355 20 0 FCADRL O=C([O-])C(F)=C(NCc1ccc(Cl)cc1)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001602655551 1287052768 /nfs/dbraw/zinc/05/27/68/1287052768.db2.gz DOKOYTGMBRPSHL-VIFPVBQESA-N -2 0 371.777 0.637 20 0 FCADRL CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001603047564 1287196679 /nfs/dbraw/zinc/19/66/79/1287196679.db2.gz FBWHSTNEBFKWLA-SNVBAGLBSA-N -2 0 372.399 0.293 20 0 FCADRL CNC(=O)Oc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001604886455 1287807637 /nfs/dbraw/zinc/80/76/37/1287807637.db2.gz YYBNJWMIAMOUGJ-UHFFFAOYSA-N -2 0 364.343 0.979 20 0 FCADRL CO[C@H](C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)[O-])C1CC1 ZINC001605008412 1287835565 /nfs/dbraw/zinc/83/55/65/1287835565.db2.gz SULICYNHIYCVEN-PSASIEDQSA-N -2 0 371.375 0.006 20 0 FCADRL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N(CC(=O)[O-])C(C)C ZINC001605455643 1287966270 /nfs/dbraw/zinc/96/62/70/1287966270.db2.gz HRFAGXPWPQNGKK-UHFFFAOYSA-N -2 0 362.390 0.838 20 0 FCADRL CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001606284181 1288254293 /nfs/dbraw/zinc/25/42/93/1288254293.db2.gz YWIBJUHEAIUYIN-UHFFFAOYSA-N -2 0 356.335 0.716 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccc(OC)cc1 ZINC001606342679 1288264282 /nfs/dbraw/zinc/26/42/82/1288264282.db2.gz OXTHYIKDAQPVOI-GFCCVEGCSA-N -2 0 370.339 0.574 20 0 FCADRL COC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001606401260 1288287967 /nfs/dbraw/zinc/28/79/67/1288287967.db2.gz UMMBIMSMIPZQEE-RKDXNWHRSA-N -2 0 359.356 0.762 20 0 FCADRL COC(=O)c1cc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)ccc1C(=O)[O-] ZINC001606548323 1288377389 /nfs/dbraw/zinc/37/73/89/1288377389.db2.gz UYFUBAFFBBBRBG-SECBINFHSA-N -2 0 366.326 0.194 20 0 FCADRL COC(=O)c1sc(S(=O)(=O)[N-]c2cn(C)nn2)c(C(=O)[O-])c1C ZINC001606644194 1288422051 /nfs/dbraw/zinc/42/20/51/1288422051.db2.gz WYWFEQGHPNGPIY-UHFFFAOYSA-N -2 0 360.373 0.471 20 0 FCADRL COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001606777079 1288507795 /nfs/dbraw/zinc/50/77/95/1288507795.db2.gz LQOYRKRZZVGPSA-SNVBAGLBSA-N -2 0 351.764 0.758 20 0 FCADRL COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC001606786230 1288516415 /nfs/dbraw/zinc/51/64/15/1288516415.db2.gz OBROXMNVPFIWOF-LLVKDONJSA-N -2 0 352.390 0.088 20 0 FCADRL COC[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F)C(=O)[O-] ZINC001606812841 1288529842 /nfs/dbraw/zinc/52/98/42/1288529842.db2.gz LHJVDYGBGVRYER-VIFPVBQESA-N -2 0 370.305 0.778 20 0 FCADRL COC[C@@H](NS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21)C(=O)[O-] ZINC001606819067 1288531691 /nfs/dbraw/zinc/53/16/91/1288531691.db2.gz QMSQFMBCAVBWKY-GFCCVEGCSA-N -2 0 353.352 0.916 20 0 FCADRL COCC[C@H](NS(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1)C(=O)[O-] ZINC001606863216 1288541989 /nfs/dbraw/zinc/54/19/89/1288541989.db2.gz VIEWJDWUQIJJET-LBPRGKRZSA-N -2 0 359.400 0.817 20 0 FCADRL O=C([O-])[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)c1ccc(F)cc1 ZINC001606958560 1288574361 /nfs/dbraw/zinc/57/43/61/1288574361.db2.gz XQLLADHGRQZJAW-NSHDSACASA-N -2 0 367.318 0.703 20 0 FCADRL COc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cnc1Br ZINC001607080355 1288650852 /nfs/dbraw/zinc/65/08/52/1288650852.db2.gz VUHSNSIKHJXVQW-RXMQYKEDSA-N -2 0 367.177 0.385 20 0 FCADRL COc1cc(C(=O)[O-])cc(NC(=O)C(=O)[N-]OCCSC)c1OC ZINC001607087622 1288654959 /nfs/dbraw/zinc/65/49/59/1288654959.db2.gz MSGXPEOHENFBFW-UHFFFAOYSA-N -2 0 358.372 0.751 20 0 FCADRL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)N[C@@H](C)C(=O)[O-])c1OC ZINC001607153423 1288673721 /nfs/dbraw/zinc/67/37/21/1288673721.db2.gz OOGVJUFXBHYGMG-LGYSABEFSA-N -2 0 359.356 0.553 20 0 FCADRL COc1cc(F)ccc1S(=O)(=O)[N-]C(=O)CCc1ocnc1C(=O)[O-] ZINC001607170530 1288677646 /nfs/dbraw/zinc/67/76/46/1288677646.db2.gz YEVVSPQRNSGUJH-UHFFFAOYSA-N -2 0 372.330 0.958 20 0 FCADRL COc1cc(NC(=O)C(=O)[N-]O[C@H]2CCCCO2)c(C(=O)[O-])cc1OC ZINC001607173013 1288678436 /nfs/dbraw/zinc/67/84/36/1288678436.db2.gz DOVWCXNQSRGSMR-ZDUSSCGKSA-N -2 0 368.342 0.915 20 0 FCADRL COc1cc(NC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001607171915 1288678575 /nfs/dbraw/zinc/67/85/75/1288678575.db2.gz ZCGGARZRFGDTFD-UWVGGRQHSA-N -2 0 364.354 0.901 20 0 FCADRL COc1ccc(C(=O)CCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1 ZINC001607204430 1288683880 /nfs/dbraw/zinc/68/38/80/1288683880.db2.gz ZTWHUVTUWDDECH-UHFFFAOYSA-N -2 0 357.384 0.969 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cnn1-c1ccc(F)cc1F ZINC001607509130 1288721313 /nfs/dbraw/zinc/72/13/13/1288721313.db2.gz RHVGJLBAHPGLIA-UHFFFAOYSA-N -2 0 373.337 0.993 20 0 FCADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CC2(CCOCC2)[C@H]1C(=O)[O-] ZINC001607598152 1288729082 /nfs/dbraw/zinc/72/90/82/1288729082.db2.gz LZCXMXMMEZZHJU-CYBMUJFWSA-N -2 0 369.395 0.948 20 0 FCADRL Cc1ccc(C[C@@H](CNS(=O)(=O)N(C)CCC(=O)[O-])C(=O)[O-])cc1 ZINC001607773880 1288738107 /nfs/dbraw/zinc/73/81/07/1288738107.db2.gz RQYNSODNTIDBOJ-ZDUSSCGKSA-N -2 0 358.416 0.479 20 0 FCADRL Cc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1S(C)(=O)=O ZINC001607810891 1288739927 /nfs/dbraw/zinc/73/99/27/1288739927.db2.gz WLDVURMJGXPYLA-UHFFFAOYSA-N -2 0 373.412 0.480 20 0 FCADRL Cc1cn(-c2ccc(F)cc2)nc1C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001607901472 1288745701 /nfs/dbraw/zinc/74/57/01/1288745701.db2.gz MZORVOXXHCUQFK-VIFPVBQESA-N -2 0 355.347 0.853 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ncn(CC(F)(F)F)n2)c1C(=O)[O-] ZINC001607938640 1288749977 /nfs/dbraw/zinc/74/99/77/1288749977.db2.gz SJXICRHFGYZJLA-UHFFFAOYSA-N -2 0 354.270 0.371 20 0 FCADRL Cc1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)n(-c2ccccc2)n1 ZINC001607966423 1288752544 /nfs/dbraw/zinc/75/25/44/1288752544.db2.gz PRYFPHVGUSGNNH-UHFFFAOYSA-N -2 0 359.367 0.892 20 0 FCADRL Cn1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c(C2CCC2)n1 ZINC001608097803 1288767586 /nfs/dbraw/zinc/76/75/86/1288767586.db2.gz RCTLGGVSBBJISK-UHFFFAOYSA-N -2 0 370.431 0.459 20 0 FCADRL Cn1ncc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC001608156008 1288783470 /nfs/dbraw/zinc/78/34/70/1288783470.db2.gz HAPWEEBZMCKSMP-UHFFFAOYSA-N -2 0 368.346 0.943 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)COCCc2ccccc2)CC1 ZINC001608349062 1288828185 /nfs/dbraw/zinc/82/81/85/1288828185.db2.gz TXMIGQPGJDTVDY-UHFFFAOYSA-N -2 0 370.427 0.403 20 0 FCADRL O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC001608373335 1288832100 /nfs/dbraw/zinc/83/21/00/1288832100.db2.gz XEUVMYSTEIOXGR-GFCCVEGCSA-N -2 0 373.394 0.220 20 0 FCADRL O=C([O-])c1nc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)ccc1Cl ZINC001608373047 1288832436 /nfs/dbraw/zinc/83/24/36/1288832436.db2.gz FRBARTKLQNRBPH-UHFFFAOYSA-N -2 0 362.733 0.134 20 0 FCADRL O=C([O-])[C@H](CNC(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)C1CCC1 ZINC001608420592 1288840937 /nfs/dbraw/zinc/84/09/37/1288840937.db2.gz SPBSQTVXOPQWPL-VXGBXAGGSA-N -2 0 352.387 0.317 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)c2ccc3oc(=O)[nH]c3c2)CC1 ZINC001608485029 1288848818 /nfs/dbraw/zinc/84/88/18/1288848818.db2.gz PGQGUAFYNLAPGN-UHFFFAOYSA-N -2 0 369.355 0.305 20 0 FCADRL O=C([O-])C1=NOC2(C1)CCN(S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])CC2 ZINC001608592433 1288859360 /nfs/dbraw/zinc/85/93/60/1288859360.db2.gz GGBPVWYUJPAUAF-CMPLNLGQSA-N -2 0 374.415 0.655 20 0 FCADRL O=C([O-])[C@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)c2ccc(F)cc2O1 ZINC001608643029 1288861135 /nfs/dbraw/zinc/86/11/35/1288861135.db2.gz NLUWVUHQBLIHSC-SECBINFHSA-N -2 0 354.319 0.620 20 0 FCADRL O=C([O-])[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)C[C@@]12CCOC2 ZINC001608645267 1288861596 /nfs/dbraw/zinc/86/15/96/1288861596.db2.gz NGWIYJVDNGVQHY-XHDPSFHLSA-N -2 0 361.416 0.384 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)ccc1F ZINC001608858389 1288875678 /nfs/dbraw/zinc/87/56/78/1288875678.db2.gz JMGJQBQDTHJQBO-UHFFFAOYSA-N -2 0 370.362 0.916 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCOCC3)[C@H]2O)on1 ZINC001608860926 1288877664 /nfs/dbraw/zinc/87/76/64/1288877664.db2.gz HELHRHKBWJWXOV-CABZTGNLSA-N -2 0 360.388 0.219 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCN(CC(F)(F)F)C2=O)on1 ZINC001608860245 1288878000 /nfs/dbraw/zinc/87/80/00/1288878000.db2.gz BNAFGTISELUVFI-LURJTMIESA-N -2 0 371.293 0.204 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1 ZINC001608932086 1288879945 /nfs/dbraw/zinc/87/99/45/1288879945.db2.gz LUSOTCLXYADDOD-NEPJUHHUSA-N -3 0 371.367 0.322 20 0 FCADRL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001609110804 1288924752 /nfs/dbraw/zinc/92/47/52/1288924752.db2.gz VNWHAUZLWKBLTL-LURJTMIESA-N -2 0 361.330 0.677 20 0 FCADRL C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)[C@H](C)C(=O)[O-] ZINC001609125530 1288931845 /nfs/dbraw/zinc/93/18/45/1288931845.db2.gz DLFOKEUXMRZZMZ-WDSKDSINSA-N -2 0 361.330 0.532 20 0 FCADRL O=S(=O)([N-]c1cnn(-c2ccccn2)c1)c1ccc(-c2nnn[n-]2)o1 ZINC001609596476 1289254397 /nfs/dbraw/zinc/25/43/97/1289254397.db2.gz MBTKDUDMCLVQSX-UHFFFAOYSA-N -2 0 358.343 0.841 20 0 FCADRL C[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC001609636668 1289270078 /nfs/dbraw/zinc/27/00/78/1289270078.db2.gz YWIRFZOJVRTPLE-IUCAKERBSA-N -2 0 363.413 0.113 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)COc1cc(F)cc(F)c1 ZINC001609638455 1289270269 /nfs/dbraw/zinc/27/02/69/1289270269.db2.gz GIWPMQSGLSPOLM-JGVFFNPUSA-N -2 0 351.327 0.899 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)c1 ZINC001609639291 1289270912 /nfs/dbraw/zinc/27/09/12/1289270912.db2.gz UXDCAUQVQDXXQI-VXGBXAGGSA-N -2 0 365.411 0.970 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H](c1ccccc1)N1CCSCC1 ZINC001609642357 1289271496 /nfs/dbraw/zinc/27/14/96/1289271496.db2.gz NXVATZWWRXCAPE-WCQYABFASA-N -2 0 372.468 0.696 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC001609642217 1289271620 /nfs/dbraw/zinc/27/16/20/1289271620.db2.gz IQVDOONUWRHTBV-KWQFWETISA-N -2 0 358.347 0.098 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1(c2ccc(F)cc2)CCOCC1 ZINC001609642295 1289271626 /nfs/dbraw/zinc/27/16/26/1289271626.db2.gz LUIZLTUVAISMPQ-JTQLQIEISA-N -2 0 359.375 0.793 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(CN2CCOCC2)c1 ZINC001609644092 1289272069 /nfs/dbraw/zinc/27/20/69/1289272069.db2.gz VILCMVHOCWRHFW-LLVKDONJSA-N -2 0 356.400 0.052 20 0 FCADRL CC(C)(C)OC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])nc1 ZINC001609667878 1289277894 /nfs/dbraw/zinc/27/78/94/1289277894.db2.gz KMGKJPHWEYRIQR-UHFFFAOYSA-N -2 0 358.372 0.571 20 0 FCADRL CC(C)[C@H](C(=O)[O-])N(Cc1ccncc1)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001609683450 1289278882 /nfs/dbraw/zinc/27/88/82/1289278882.db2.gz JOOVSYGWAYZZAS-CQSZACIVSA-N -2 0 373.431 0.644 20 0 FCADRL CC(C)COc1ncc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1Cl ZINC001609700572 1289282047 /nfs/dbraw/zinc/28/20/47/1289282047.db2.gz FBCJQGIQDZADPH-UHFFFAOYSA-N -2 0 350.780 0.914 20 0 FCADRL CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2cncc(C(=O)[O-])c2)c1 ZINC001609703491 1289282411 /nfs/dbraw/zinc/28/24/11/1289282411.db2.gz LFKPWLSQQLEMGU-UHFFFAOYSA-N -2 0 352.372 0.751 20 0 FCADRL CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])ccn2)c1 ZINC001609703490 1289282454 /nfs/dbraw/zinc/28/24/54/1289282454.db2.gz LEBZAYQGRBOMRP-UHFFFAOYSA-N -2 0 352.372 0.751 20 0 FCADRL C[C@@](CO)(CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)CC(=O)[O-] ZINC001609746587 1289289908 /nfs/dbraw/zinc/28/99/08/1289289908.db2.gz MOLJVDXCACMIKA-ZDUSSCGKSA-N -2 0 365.791 0.790 20 0 FCADRL C[C@@H](CSCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC001609750408 1289290687 /nfs/dbraw/zinc/29/06/87/1289290687.db2.gz WYUMZZMSZGMFFA-VIFPVBQESA-N -2 0 354.450 0.071 20 0 FCADRL C[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001609763550 1289293709 /nfs/dbraw/zinc/29/37/09/1289293709.db2.gz PWZSMIAQAUMRCM-AAEUAGOBSA-N -2 0 369.381 0.519 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC001609847468 1289310623 /nfs/dbraw/zinc/31/06/23/1289310623.db2.gz YKCRGFHNXNWUKA-PTRXPTGYSA-N -2 0 354.384 0.814 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC001609847467 1289311219 /nfs/dbraw/zinc/31/12/19/1289311219.db2.gz YKCRGFHNXNWUKA-LNLATYFQSA-N -2 0 354.384 0.814 20 0 FCADRL C[C@H]1CCCC[C@H]1OCCNC(=O)CS(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001609851545 1289311927 /nfs/dbraw/zinc/31/19/27/1289311927.db2.gz BZGZSHCYTDBYRO-CMPLNLGQSA-N -2 0 373.431 0.593 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)[C@H](C(=O)[O-])[C@H](C)O1 ZINC001609873666 1289322206 /nfs/dbraw/zinc/32/22/06/1289322206.db2.gz OSAZHOXQSLGXLT-BFVZDQMLSA-N -2 0 357.384 0.565 20 0 FCADRL CC[C@@H](CNS(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-])C(=O)[O-] ZINC001609920988 1289328060 /nfs/dbraw/zinc/32/80/60/1289328060.db2.gz PYSCPTSHWLLNRU-LURJTMIESA-N -2 0 365.385 0.622 20 0 FCADRL CCCc1noc(CCCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])n1 ZINC001609986138 1289337432 /nfs/dbraw/zinc/33/74/32/1289337432.db2.gz JOMYZKSILMKFAA-ZJUUUORDSA-N -2 0 361.420 0.900 20 0 FCADRL CCOC(=O)CC[C@H](NS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C(=O)[O-] ZINC001610016716 1289346466 /nfs/dbraw/zinc/34/64/66/1289346466.db2.gz VDSGUKCKVSEYMA-VWYCJHECSA-N -2 0 365.404 0.346 20 0 FCADRL CCO[C@@H]1C[C@](NS(=O)(=O)CC2(CC(=O)[O-])CC2)(C(=O)[O-])C1(C)C ZINC001610032571 1289352799 /nfs/dbraw/zinc/35/27/99/1289352799.db2.gz UBVAZALYQYGAMX-BMIGLBTASA-N -2 0 363.432 0.819 20 0 FCADRL CCc1c(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cnn1-c1ccccn1 ZINC001610053647 1289358351 /nfs/dbraw/zinc/35/83/51/1289358351.db2.gz AOZRTEBHTDRZOX-UHFFFAOYSA-N -2 0 352.372 0.364 20 0 FCADRL CCc1nc(CNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)ccc1C(=O)[O-] ZINC001610071392 1289362720 /nfs/dbraw/zinc/36/27/20/1289362720.db2.gz IAGPOLCDQZWZLQ-UHFFFAOYSA-N -2 0 367.383 0.857 20 0 FCADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C(=O)[O-] ZINC001610079230 1289364694 /nfs/dbraw/zinc/36/46/94/1289364694.db2.gz QUYDJMGGVBYKRS-JOAULVNJSA-N -2 0 361.372 0.791 20 0 FCADRL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1 ZINC001610096396 1289369674 /nfs/dbraw/zinc/36/96/74/1289369674.db2.gz ARNCDLGMICYRPV-UHFFFAOYSA-N -2 0 352.372 0.470 20 0 FCADRL CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)[O-])C1=O ZINC001610128801 1289382971 /nfs/dbraw/zinc/38/29/71/1289382971.db2.gz CFPSQSHCIDIYHA-ZETCQYMHSA-N -2 0 360.775 0.321 20 0 FCADRL CN1C(=O)C[C@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])[C@H]1c1cccc(Cl)c1 ZINC001610127399 1289383591 /nfs/dbraw/zinc/38/35/91/1289383591.db2.gz LQZZNZNVPAAHQJ-GXFFZTMASA-N -2 0 374.802 0.390 20 0 FCADRL CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001610141175 1289393819 /nfs/dbraw/zinc/39/38/19/1289393819.db2.gz HSMHZWPXZMGFDO-UHFFFAOYSA-N -2 0 368.371 0.585 20 0 FCADRL COC(=O)CC[C@@H](NS(=O)(=O)c1ccc(C)cc1C(=O)[O-])C(=O)[O-] ZINC001610182808 1289414098 /nfs/dbraw/zinc/41/40/98/1289414098.db2.gz QDSLDHORESJSPL-SNVBAGLBSA-N -2 0 359.356 0.378 20 0 FCADRL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)nn1 ZINC001610215741 1289428995 /nfs/dbraw/zinc/42/89/95/1289428995.db2.gz NXCZSSDAMSRJOX-UHFFFAOYSA-N -2 0 351.340 0.691 20 0 FCADRL COC(=O)c1cn(CC(=O)[N-]S(=O)(=O)CCC(=O)[O-])c2ccccc12 ZINC001610218449 1289429700 /nfs/dbraw/zinc/42/97/00/1289429700.db2.gz TXGPZAOAIJIDKL-UHFFFAOYSA-N -2 0 368.367 0.349 20 0 FCADRL CO[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)CC(=O)[O-] ZINC001610229217 1289432309 /nfs/dbraw/zinc/43/23/09/1289432309.db2.gz QJFGCTIIZYLXOS-MRVPVSSYSA-N -2 0 351.764 0.806 20 0 FCADRL COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001610258547 1289441008 /nfs/dbraw/zinc/44/10/08/1289441008.db2.gz ORZMJWBLGUGVAS-NSHDSACASA-N -2 0 371.411 0.913 20 0 FCADRL COCCn1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)n1 ZINC001610267085 1289444847 /nfs/dbraw/zinc/44/48/47/1289444847.db2.gz KDWPBCNYLIGSOK-UHFFFAOYSA-N -2 0 367.383 0.488 20 0 FCADRL COc1ccc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cc1Br ZINC001610312837 1289458904 /nfs/dbraw/zinc/45/89/04/1289458904.db2.gz OESCWHAPWKJLAD-UHFFFAOYSA-N -2 0 366.189 0.992 20 0 FCADRL COc1ccc(C(=O)CCC(=O)[N-]S(=O)(=O)CCC(=O)[O-])cc1F ZINC001610315215 1289459331 /nfs/dbraw/zinc/45/93/31/1289459331.db2.gz ZQLLIMOHMGLTGW-UHFFFAOYSA-N -2 0 361.347 0.718 20 0 FCADRL COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)C23CC(C(=O)[O-])(C2)C3)c1 ZINC001610344348 1289464689 /nfs/dbraw/zinc/46/46/89/1289464689.db2.gz ZCNIWDZAHZXVIY-UHFFFAOYSA-N -2 0 355.368 0.764 20 0 FCADRL COc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c(OC)c1C(=O)[O-] ZINC001610345162 1289465542 /nfs/dbraw/zinc/46/55/42/1289465542.db2.gz JBVUJJYWAUGUNK-UHFFFAOYSA-N -2 0 373.383 0.887 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CO[C@H](C)C2)c(CC(=O)[O-])c1 ZINC001610346520 1289466309 /nfs/dbraw/zinc/46/63/09/1289466309.db2.gz VTWLZQBCAHXFRG-KOLCDFICSA-N -2 0 357.384 0.552 20 0 FCADRL COc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])c(CC(=O)[O-])c1 ZINC001610346607 1289466630 /nfs/dbraw/zinc/46/66/30/1289466630.db2.gz ZOMWXGWDMUCDIL-SNVBAGLBSA-N -2 0 361.397 0.471 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)/C=C/[C@H]2CCCO2)c(CC(=O)[O-])c1 ZINC001610346226 1289466764 /nfs/dbraw/zinc/46/67/64/1289466764.db2.gz ONKBDVQSKMNNBM-HOSRBBHYSA-N -2 0 369.395 0.862 20 0 FCADRL COc1cccc([C@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C(=O)[O-])c1 ZINC001610355319 1289469183 /nfs/dbraw/zinc/46/91/83/1289469183.db2.gz RONXKXCZPIVYEF-LBPRGKRZSA-N -2 0 354.340 0.826 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N[C@@H](C(=O)[O-])c2ccn(C)n2)c1 ZINC001610360359 1289469717 /nfs/dbraw/zinc/46/97/17/1289469717.db2.gz UYWHNXVMNHOUKC-SHACYNPGSA-N -2 0 351.384 0.478 20 0 FCADRL C[S@](=O)c1ccc(CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc1 ZINC001610379310 1289475768 /nfs/dbraw/zinc/47/57/68/1289475768.db2.gz IZRBRTNNZMGLHT-QFIPXVFZSA-N -2 0 361.441 0.523 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1 ZINC001610409071 1289482140 /nfs/dbraw/zinc/48/21/40/1289482140.db2.gz XSCSXQZAEKASAI-GXFFZTMASA-N -2 0 357.384 0.539 20 0 FCADRL Cc1c([C@@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)C(=O)[O-])cnn1C ZINC001610489955 1289494828 /nfs/dbraw/zinc/49/48/28/1289494828.db2.gz QXNGFDVEGYPJGB-CYBMUJFWSA-N -2 0 367.383 0.839 20 0 FCADRL Cc1nc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])nn1-c1ccccc1C(C)C ZINC001610552060 1289508653 /nfs/dbraw/zinc/50/86/53/1289508653.db2.gz KOKWLXBCPDAYJP-UHFFFAOYSA-N -2 0 366.399 0.843 20 0 FCADRL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)O[C@H](C)c1cn(CC(=O)[O-])nn1 ZINC001610559946 1289511281 /nfs/dbraw/zinc/51/12/81/1289511281.db2.gz SDGBDIAOKKUQKX-SNVBAGLBSA-N -2 0 374.357 0.575 20 0 FCADRL Cn1cc(CCC(=O)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cn1 ZINC001610603815 1289523965 /nfs/dbraw/zinc/52/39/65/1289523965.db2.gz QBWQPDXBKAXCMZ-UHFFFAOYSA-N -2 0 373.337 0.834 20 0 FCADRL Cn1cnc2c1nccc2C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001610611102 1289527909 /nfs/dbraw/zinc/52/79/09/1289527909.db2.gz FMMHKSXCKSIISW-UHFFFAOYSA-N -2 0 374.378 0.926 20 0 FCADRL Cn1ncc2c1C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)CC2 ZINC001610614889 1289530164 /nfs/dbraw/zinc/53/01/64/1289530164.db2.gz AWDMCVMMNWAKMO-JTQLQIEISA-N -2 0 363.395 0.728 20 0 FCADRL NC(=O)CCCCC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001610637522 1289536152 /nfs/dbraw/zinc/53/61/52/1289536152.db2.gz RVGFCHXLPQASFK-UHFFFAOYSA-N -2 0 364.326 0.514 20 0 FCADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2cnn(CC(=O)NC3CC3)c2)c1 ZINC001610677724 1289549913 /nfs/dbraw/zinc/54/99/13/1289549913.db2.gz HHFHZHDPEKHDRS-UHFFFAOYSA-N -2 0 365.371 0.056 20 0 FCADRL O=C([O-])C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CCO1 ZINC001610763671 1289584452 /nfs/dbraw/zinc/58/44/52/1289584452.db2.gz YDVXHPGKVURHNA-SECBINFHSA-N -2 0 354.290 0.165 20 0 FCADRL O=C([O-])CCN(C1CCOCC1)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC001610772705 1289585890 /nfs/dbraw/zinc/58/58/90/1289585890.db2.gz LJQOYRSUSXOAIK-UHFFFAOYSA-N -2 0 371.411 0.958 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccn(Cc2ccccc2)n1 ZINC001610771684 1289586846 /nfs/dbraw/zinc/58/68/46/1289586846.db2.gz RQTMGIDZTDXVOH-UHFFFAOYSA-N -2 0 351.384 0.856 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001610775320 1289587125 /nfs/dbraw/zinc/58/71/25/1289587125.db2.gz PTBOGTCZTKFRHW-NSHDSACASA-N -2 0 374.802 0.614 20 0 FCADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC001610832832 1289601896 /nfs/dbraw/zinc/60/18/96/1289601896.db2.gz WNHZZTNGMJDLBU-GZMMTYOYSA-N -2 0 363.775 0.806 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(F)CCOC2)cc1Cl ZINC001610837535 1289603539 /nfs/dbraw/zinc/60/35/39/1289603539.db2.gz AELZSPQEXXUCIV-GFCCVEGCSA-N -2 0 351.739 0.972 20 0 FCADRL O=C([O-])c1ccccc1CS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC001610853814 1289606671 /nfs/dbraw/zinc/60/66/71/1289606671.db2.gz FLWKCCAEEFAYDO-RYUDHWBXSA-N -3 0 371.367 0.322 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2cn(CC3CC3)nn2)c1 ZINC001610850008 1289607003 /nfs/dbraw/zinc/60/70/03/1289607003.db2.gz VQDVGSBQVURZJV-UHFFFAOYSA-N -2 0 350.356 0.505 20 0 FCADRL O=C([O-])c1ccccc1CS(=O)(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC001610854212 1289607200 /nfs/dbraw/zinc/60/72/00/1289607200.db2.gz SJOZZSJNQLEKFC-GWCFXTLKSA-N -2 0 357.384 0.684 20 0 FCADRL O=C([O-])c1cnc(C(=O)[N-]S(=O)(=O)Cc2c(F)cccc2F)cn1 ZINC001610861164 1289610555 /nfs/dbraw/zinc/61/05/55/1289610555.db2.gz FOVXLURLHNZFFZ-UHFFFAOYSA-N -2 0 357.294 0.713 20 0 FCADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cn2)c1 ZINC001610864358 1289612311 /nfs/dbraw/zinc/61/23/11/1289612311.db2.gz NDYNEFGFQSWDBJ-UHFFFAOYSA-N -2 0 364.383 0.812 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001610876294 1289615096 /nfs/dbraw/zinc/61/50/96/1289615096.db2.gz JJABEMFYQTUHNU-ZETCQYMHSA-N -2 0 358.401 0.838 20 0 FCADRL O=C([O-])C(=O)N1CCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000396728532 836064813 /nfs/dbraw/zinc/06/48/13/836064813.db2.gz BZFJXCFGDZATIN-UHFFFAOYSA-N -2 0 357.160 0.524 20 0 FCADRL CC(C)CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000749071731 836341168 /nfs/dbraw/zinc/34/11/68/836341168.db2.gz RBFONWHREJVWCS-UHFFFAOYSA-N -2 0 355.441 0.938 20 0 FCADRL Cn1cnnc1[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC000751213182 836471958 /nfs/dbraw/zinc/47/19/58/836471958.db2.gz QXWHIRISQGHTRE-NSHDSACASA-N -2 0 366.399 0.787 20 0 FCADRL CSc1[nH]nc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c1C(N)=O ZINC001148916740 849620653 /nfs/dbraw/zinc/62/06/53/849620653.db2.gz DWWUXMJTVRFBKF-UHFFFAOYSA-N -2 0 372.384 0.435 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CCSC[C@@H]2c2nnn[n-]2)c1 ZINC001154777887 849813469 /nfs/dbraw/zinc/81/34/69/849813469.db2.gz YJZGJIQYZUGGIA-YYUOZPCZSA-N -2 0 367.456 0.633 20 0 FCADRL O=P([O-])([O-])OCCNc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC001168589742 850590759 /nfs/dbraw/zinc/59/07/59/850590759.db2.gz NSXXQOYSIHFZPT-UHFFFAOYSA-N -3 0 374.315 0.799 20 0 FCADRL O=P([O-])([O-])OCCNc1ccc(S(=O)(=O)c2ccccc2)nn1 ZINC001168589917 850590828 /nfs/dbraw/zinc/59/08/28/850590828.db2.gz QNUZEPQXABOGSE-UHFFFAOYSA-N -2 0 359.300 0.831 20 0 FCADRL Cn1ccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)c1CC(=O)[O-] ZINC001177367453 850842386 /nfs/dbraw/zinc/84/23/86/850842386.db2.gz MYGHKAMJEXRZJD-UHFFFAOYSA-N -2 0 363.351 0.337 20 0 FCADRL Cc1cccc(C)c1N1C[C@@H](C(=O)NCCOP(=O)([O-])[O-])CC1=O ZINC001180678194 851058057 /nfs/dbraw/zinc/05/80/57/851058057.db2.gz LVKQSOOVOQNZCZ-LBPRGKRZSA-N -2 0 356.315 0.882 20 0 FCADRL CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)NCCOP(=O)([O-])[O-] ZINC001181249017 851097504 /nfs/dbraw/zinc/09/75/04/851097504.db2.gz VJQZUMBOWLJOTG-VWYCJHECSA-N -2 0 364.335 1.000 20 0 FCADRL O=C([O-])C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@@H]1CO[N-]C1=O ZINC001184742402 851320291 /nfs/dbraw/zinc/32/02/91/851320291.db2.gz WQCMPUUBIABMGW-SCZZXKLOSA-N -2 0 367.408 0.778 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2ncnc3c2ncn3C)cc1C(=O)[O-] ZINC001185275956 851349765 /nfs/dbraw/zinc/34/97/65/851349765.db2.gz RJRLLNQSDWGEBJ-UHFFFAOYSA-N -2 0 363.355 0.871 20 0 FCADRL CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cnoc2C)cc1 ZINC001187322321 851546890 /nfs/dbraw/zinc/54/68/90/851546890.db2.gz XHMWTRWGLIRCKX-UHFFFAOYSA-N -2 0 359.385 0.609 20 0 FCADRL NC(=O)c1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cn1 ZINC001187547650 851577190 /nfs/dbraw/zinc/57/71/90/851577190.db2.gz FZWOLDPPPSCLJO-UHFFFAOYSA-N -2 0 356.747 0.728 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(C(N)=O)nn1C ZINC001187547937 851577547 /nfs/dbraw/zinc/57/75/47/851577547.db2.gz GULMBFLZWROGER-UHFFFAOYSA-N -2 0 372.790 0.980 20 0 FCADRL CNC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188282599 851665702 /nfs/dbraw/zinc/66/57/02/851665702.db2.gz RHOHHZKZONGYKT-UHFFFAOYSA-N -2 0 370.774 0.989 20 0 FCADRL CN(C)c1ncc(-c2cc(C(=O)NCCOP(=O)([O-])[O-])n(C)c2)cn1 ZINC001188904499 851731745 /nfs/dbraw/zinc/73/17/45/851731745.db2.gz LBWKHKRXMRAHDD-UHFFFAOYSA-N -2 0 369.318 0.387 20 0 FCADRL COC(=O)[C@@H](NC(=O)c1ccccc1OP(=O)([O-])[O-])C1CCOCC1 ZINC001189900047 851839019 /nfs/dbraw/zinc/83/90/19/851839019.db2.gz NZNWMDYFJQVADA-ZDUSSCGKSA-N -2 0 373.298 0.856 20 0 FCADRL O=C([O-])c1cc(C(=O)N2CCOCC(F)(F)C2)cc(S(=O)(=O)[O-])c1 ZINC001189913798 851841872 /nfs/dbraw/zinc/84/18/72/851841872.db2.gz BNZVLHQZZZFIIL-UHFFFAOYSA-N -2 0 365.310 0.739 20 0 FCADRL O=C([O-])c1cc(C(=O)N2CC(N3CC(F)C3)C2)cc(S(=O)(=O)[O-])c1 ZINC001189915102 851842407 /nfs/dbraw/zinc/84/24/07/851842407.db2.gz UNWVSHXILGCZSC-UHFFFAOYSA-N -2 0 358.347 0.110 20 0 FCADRL Cc1cnc(=O)[nH]c1NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189933458 851845640 /nfs/dbraw/zinc/84/56/40/851845640.db2.gz LMMLLYXHBORDAI-UHFFFAOYSA-N -2 0 353.312 0.688 20 0 FCADRL CC(C)[C@](C)(NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1)C(N)=O ZINC001189933946 851845647 /nfs/dbraw/zinc/84/56/47/851845647.db2.gz QAYWJTQHPSTMRG-AWEZNQCLSA-N -2 0 358.372 0.261 20 0 FCADRL NC(=O)c1[nH]nc2c1CN(C(=O)c1ccccc1OP(=O)([O-])[O-])C2 ZINC001278366223 862306318 /nfs/dbraw/zinc/30/63/18/862306318.db2.gz JLMWUKPVCHHBNJ-UHFFFAOYSA-N -2 0 352.243 0.136 20 0 FCADRL Cn1cnc2c1ncnc2[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192686109 852276558 /nfs/dbraw/zinc/27/65/58/852276558.db2.gz XRPZCHOYDHFUOG-UHFFFAOYSA-N -2 0 363.355 0.628 20 0 FCADRL NC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)ccn1 ZINC001193971282 852519417 /nfs/dbraw/zinc/51/94/17/852519417.db2.gz AMWDHKQCSVJNKA-UHFFFAOYSA-N -2 0 373.749 0.894 20 0 FCADRL COC(=O)c1cc(-c2ccc(C(=O)NCCOP(=O)([O-])[O-])cc2)on1 ZINC001195030213 852694772 /nfs/dbraw/zinc/69/47/72/852694772.db2.gz QRLDJDTTZVBPGK-UHFFFAOYSA-N -2 0 370.254 0.967 20 0 FCADRL NC(=O)c1nccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195194990 852722477 /nfs/dbraw/zinc/72/24/77/852722477.db2.gz NDWZRAJEZPZSDV-UHFFFAOYSA-N -2 0 358.282 0.353 20 0 FCADRL Cc1ccnc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)[N-]C3=O)c1 ZINC001198004883 853203819 /nfs/dbraw/zinc/20/38/19/853203819.db2.gz YURUSGDWUYPLKS-UHFFFAOYSA-N -2 0 353.381 0.623 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)NCCOP(=O)([O-])[O-])C1 ZINC001201706288 853541403 /nfs/dbraw/zinc/54/14/03/853541403.db2.gz CGWJETPPCJCNTO-VIFPVBQESA-N -2 0 374.352 0.025 20 0 FCADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(Nc2ccc(CO)nc2)c1 ZINC001212380919 854457066 /nfs/dbraw/zinc/45/70/66/854457066.db2.gz XEIPTLCTRMGVRJ-UHFFFAOYSA-N -2 0 360.369 0.811 20 0 FCADRL COC(=O)[C@H](OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1cccc(Cl)c1 ZINC001223928668 856952447 /nfs/dbraw/zinc/95/24/47/856952447.db2.gz FKZREZBQMRYQNL-ADEWGFFLSA-N -2 0 374.729 0.634 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@H]1COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225055264 857016981 /nfs/dbraw/zinc/01/69/81/857016981.db2.gz IXBOQWDNKYSDAW-NGZCFLSTSA-N -2 0 361.347 0.075 20 0 FCADRL COC(=O)c1ccc(Cl)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225382650 857038404 /nfs/dbraw/zinc/03/84/04/857038404.db2.gz QDRLHJRNXGPTCA-KCJUWKMLSA-N -2 0 360.702 0.568 20 0 FCADRL Cc1nc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc1Br ZINC001225748248 857058038 /nfs/dbraw/zinc/05/80/38/857058038.db2.gz CVUCTIPAYNXUDJ-LDWIPMOCSA-N -2 0 362.132 0.594 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc(C(F)(F)F)nc(=S)[nH]1)[C@H](O)C(=O)[O-] ZINC001225850462 857066653 /nfs/dbraw/zinc/06/66/53/857066653.db2.gz KHDWLNMXZBBPGI-NOWQDGDBSA-N -2 0 370.261 0.226 20 0 FCADRL Cc1nc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(C(F)(F)F)n1 ZINC001226712759 857122081 /nfs/dbraw/zinc/12/20/81/857122081.db2.gz VJRUXZQJKKQSEN-MLUIRONXSA-N -2 0 352.221 0.246 20 0 FCADRL Cc1ncc(Br)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001226864666 857128547 /nfs/dbraw/zinc/12/85/47/857128547.db2.gz IGMBMJPOZLNFFG-OIBJUYFYSA-N -2 0 362.132 0.594 20 0 FCADRL CC(=O)Nc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(C(C)=O)c1 ZINC001227193479 857148660 /nfs/dbraw/zinc/14/86/60/857148660.db2.gz TYKTYMRTTOPAHE-LLVKDONJSA-N -2 0 361.243 0.223 20 0 FCADRL COc1cc2nc(=O)[n-]c(OC(=O)[C@H](O)CCC(=O)[O-])c2cc1OC ZINC001227282539 857154162 /nfs/dbraw/zinc/15/41/62/857154162.db2.gz OOJBLSBCENJKOT-SECBINFHSA-N -2 0 352.299 0.484 20 0 FCADRL COC(=O)CCc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001227904156 857183633 /nfs/dbraw/zinc/18/36/33/857183633.db2.gz PUHINVFOJMHMRA-BXUZGUMPSA-N -2 0 354.311 0.234 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ncnc2ccc(Cl)cc21)[C@@H](O)C(=O)[O-] ZINC001227964135 857186309 /nfs/dbraw/zinc/18/63/09/857186309.db2.gz KHEPMWSQJGHTAI-GZMMTYOYSA-N -2 0 354.702 0.725 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2cc(Cl)ccc21)[C@H](O)C(=O)[O-] ZINC001227989922 857188460 /nfs/dbraw/zinc/18/84/60/857188460.db2.gz YYCTXUWGALXACE-XCBNKYQSSA-N -3 0 370.701 0.431 20 0 FCADRL CCOC(=O)c1cc(O)cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001228038757 857189446 /nfs/dbraw/zinc/18/94/46/857189446.db2.gz ZXDMFLJHANGEBF-PWSUYJOCSA-N -2 0 356.283 0.011 20 0 FCADRL Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(Br)n1 ZINC001228064188 857190660 /nfs/dbraw/zinc/19/06/60/857190660.db2.gz BNJHXZWWUVFGEI-IMTBSYHQSA-N -2 0 362.132 0.594 20 0 FCADRL Cc1cnc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(Br)c1 ZINC001228170971 857194414 /nfs/dbraw/zinc/19/44/14/857194414.db2.gz DAYRPGXJIBBXPK-SSDOTTSWSA-N -2 0 356.065 0.528 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1nnc(Cl)c2ccccc21)[C@@H](O)C(=O)[O-] ZINC001228280883 857200466 /nfs/dbraw/zinc/20/04/66/857200466.db2.gz UXQQHJAXIIWHRS-WCBMZHEXSA-N -2 0 354.702 0.725 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(Br)cnc1F)[C@@H](O)C(=O)[O-] ZINC001228550939 857215111 /nfs/dbraw/zinc/21/51/11/857215111.db2.gz JDYJWTYLXWGEAZ-SVGQVSJJSA-N -2 0 366.095 0.425 20 0 FCADRL CC(=O)c1cc2ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc2oc1=O ZINC001228646093 857221444 /nfs/dbraw/zinc/22/14/44/857221444.db2.gz XIFGZPRCYAUUQM-LLVKDONJSA-N -2 0 372.222 0.371 20 0 FCADRL CCOC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc1C ZINC001228808838 857231034 /nfs/dbraw/zinc/23/10/34/857231034.db2.gz DIIJKSJWBRHTTE-BXKDBHETSA-N -2 0 355.299 0.009 20 0 FCADRL COc1cccc2c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ncnc12 ZINC001228873936 857232995 /nfs/dbraw/zinc/23/29/95/857232995.db2.gz JPPSSRGPGUAABK-PRHODGIISA-N -2 0 350.283 0.080 20 0 FCADRL CC(=O)Nc1cc(Cl)ccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001229415391 857269357 /nfs/dbraw/zinc/26/93/57/857269357.db2.gz ISWLTTSKOCFNOA-PRHODGIISA-N -2 0 359.718 0.740 20 0 FCADRL COc1cc(OC)c(C(C)=O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1 ZINC001229473977 857271990 /nfs/dbraw/zinc/27/19/90/857271990.db2.gz PVKVUUIMOKCQIA-SECBINFHSA-N -2 0 364.243 0.282 20 0 FCADRL CC(C)(C)OC(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc1 ZINC001229888508 857291576 /nfs/dbraw/zinc/29/15/76/857291576.db2.gz QMEPDLGLZKTQRH-SECBINFHSA-N -2 0 363.259 0.413 20 0 FCADRL COc1ccc2sc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc2c1 ZINC001230338816 857326786 /nfs/dbraw/zinc/32/67/86/857326786.db2.gz GELTVNHTXANXDR-RDDDGLTNSA-N -2 0 355.324 0.747 20 0 FCADRL COc1ccc2c(c1)ncnc2OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230868661 857350336 /nfs/dbraw/zinc/35/03/36/857350336.db2.gz VMAIANSZBWAQHJ-SKDRFNHKSA-N -2 0 350.283 0.080 20 0 FCADRL CCCOC(=O)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001231341136 857359693 /nfs/dbraw/zinc/35/96/93/857359693.db2.gz UJZONRMCPPBISO-ZWNOBZJWSA-N -2 0 354.311 0.695 20 0 FCADRL Cc1cc2c(cc1F)ncnc2OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001233850112 857390880 /nfs/dbraw/zinc/39/08/80/857390880.db2.gz JVHJZILPQCNSQW-PELKAZGASA-N -2 0 352.274 0.519 20 0 FCADRL CSc1ncc2c(ccnc2OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001233956358 857393140 /nfs/dbraw/zinc/39/31/40/857393140.db2.gz GOVUKGURHADBPM-LDWIPMOCSA-N -2 0 367.339 0.189 20 0 FCADRL O=C(Oc1ncnc2ccc(F)c(F)c21)[C@H](O)COP(=O)([O-])[O-] ZINC001234027689 857394994 /nfs/dbraw/zinc/39/49/94/857394994.db2.gz WJJNBOBZCXYDOG-SSDOTTSWSA-N -2 0 350.170 0.284 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ncnc2cc(F)c(F)cc21)[C@H](O)C(=O)[O-] ZINC001234030425 857395089 /nfs/dbraw/zinc/39/50/89/857395089.db2.gz GBNHYHORXSCLHA-KBUNVGBDSA-N -2 0 356.237 0.350 20 0 FCADRL COC(=O)c1c(F)ccc(F)c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001234304692 857400926 /nfs/dbraw/zinc/40/09/26/857400926.db2.gz HZPAHBYVFNFDRK-SSDOTTSWSA-N -2 0 356.170 0.127 20 0 FCADRL COC(=O)c1cc(Cl)cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001234622636 857411410 /nfs/dbraw/zinc/41/14/10/857411410.db2.gz IGEYUTYASHSSBX-KOLCDFICSA-N -2 0 360.702 0.568 20 0 FCADRL COc1cc(OC)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1OC ZINC001234701980 857412412 /nfs/dbraw/zinc/41/24/12/857412412.db2.gz ZMOVFOPRJCMZSP-SSDOTTSWSA-N -2 0 352.232 0.088 20 0 FCADRL COc1cc(O)cc(C(C)=O)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234789086 857412457 /nfs/dbraw/zinc/41/24/57/857412457.db2.gz FLOMOANVUURPDI-CABZTGNLSA-N -2 0 356.283 0.045 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc2c(c(Cl)c1)C(=O)CC2)[C@@H](O)C(=O)[O-] ZINC001234847174 857413992 /nfs/dbraw/zinc/41/39/92/857413992.db2.gz VPSZHJXFYOIAGN-AMIZOPFISA-N -2 0 356.714 0.911 20 0 FCADRL COc1cc(OC)c(Cl)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1 ZINC001234881807 857415070 /nfs/dbraw/zinc/41/50/70/857415070.db2.gz DZFQGFGVFMDKIL-SSDOTTSWSA-N -2 0 356.651 0.733 20 0 FCADRL CS(=O)(=O)[N-]C(=O)Cc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1 ZINC001252359797 857795706 /nfs/dbraw/zinc/79/57/06/857795706.db2.gz LMWYMNHIAUYSLW-UHFFFAOYSA-N -2 0 360.335 0.566 20 0 FCADRL CCc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(C(N)=O)nn1C ZINC001260185070 858351453 /nfs/dbraw/zinc/35/14/53/858351453.db2.gz PIRTWIDWDDEEDB-UHFFFAOYSA-N -2 0 352.372 0.580 20 0 FCADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccn1 ZINC001260209232 858353976 /nfs/dbraw/zinc/35/39/76/858353976.db2.gz PZFKMOHIFSHZNA-UHFFFAOYSA-N -2 0 354.315 0.928 20 0 FCADRL CN(C)C(=O)c1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)no1 ZINC001260217409 858356078 /nfs/dbraw/zinc/35/60/78/858356078.db2.gz NURXFYSZIUBFIG-UHFFFAOYSA-N -2 0 372.334 0.087 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(F)(F)F ZINC001260219156 858356932 /nfs/dbraw/zinc/35/69/32/858356932.db2.gz HEMOSNZULVBHNJ-MRVPVSSYSA-N -2 0 359.253 0.906 20 0 FCADRL COc1cc(F)cc(F)c1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-] ZINC001324191416 869501973 /nfs/dbraw/zinc/50/19/73/869501973.db2.gz HHBFPANKKPFEPE-ZCFIWIBFSA-N -2 0 353.299 0.427 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]C(=O)c2cnc(C(=O)[O-])cn2)c2ccccc21 ZINC001600968205 970889198 /nfs/dbraw/zinc/88/91/98/970889198.db2.gz RDUHCZMMWNYUNA-UHFFFAOYSA-N -2 0 360.351 0.785 20 0 FCADRL CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CSCCC(=O)[O-])cc1 ZINC001602758340 971476551 /nfs/dbraw/zinc/47/65/51/971476551.db2.gz CETNLPYQNJWCKH-UHFFFAOYSA-N -2 0 374.440 0.336 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cncc(Br)c2)cn1 ZINC000379762706 971658482 /nfs/dbraw/zinc/65/84/82/971658482.db2.gz KOXLZVKQGQNTQI-UHFFFAOYSA-N -2 0 361.177 0.926 20 0 FCADRL C[C@H]1CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C[C@H](C2CC2)O1 ZINC001570975875 950471644 /nfs/dbraw/zinc/47/16/44/950471644.db2.gz XLPDUNIVURQORS-TVQRCGJNSA-N -2 0 356.390 0.614 20 0 FCADRL CCC[C@@]1(C)C(=O)NCCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001571083477 952174797 /nfs/dbraw/zinc/17/47/97/952174797.db2.gz LNLIMPZSVUGTKH-INIZCTEOSA-N -2 0 371.405 0.106 20 0 FCADRL O=C([O-])C(=O)N1CCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])CC1 ZINC001594828155 953954403 /nfs/dbraw/zinc/95/44/03/953954403.db2.gz BYJBFCKBEHDVCU-UHFFFAOYSA-N -2 0 362.317 0.086 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N(CC(=O)[O-])CC2CC2)c1 ZINC001593706588 954149256 /nfs/dbraw/zinc/14/92/56/954149256.db2.gz BKJCSFBTQZPGJO-UHFFFAOYSA-N -2 0 356.400 0.579 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001593706576 954149726 /nfs/dbraw/zinc/14/97/26/954149726.db2.gz BHMICQBIHDMOAL-UHFFFAOYSA-N -2 0 356.400 0.579 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)Nc2ccnc(C(=O)[O-])c2)c1 ZINC001593708434 954160932 /nfs/dbraw/zinc/16/09/32/954160932.db2.gz ALRQHGIWIQNKGF-UHFFFAOYSA-N -2 0 365.367 0.988 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cc(F)c[nH]1 ZINC001594890656 954520060 /nfs/dbraw/zinc/52/00/60/954520060.db2.gz QWIZRGYVTVIJTO-VXNVDRBHSA-N -2 0 351.256 0.890 20 0 FCADRL COC(=O)CCN(CC(=O)[O-])S(=O)(=O)c1cccc(Cl)c1[O-] ZINC001593843428 955386068 /nfs/dbraw/zinc/38/60/68/955386068.db2.gz ZRCOQWYFAQBKLP-UHFFFAOYSA-N -2 0 351.764 0.684 20 0 FCADRL Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)c3c[n-]n4c3nccc4=O)C2)cn1 ZINC001594536758 955580767 /nfs/dbraw/zinc/58/07/67/955580767.db2.gz GYRQZNMLBONUAS-WDEREUQCSA-N -2 0 370.369 0.087 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cnn2c1CCC2 ZINC000851702841 955821340 /nfs/dbraw/zinc/82/13/40/955821340.db2.gz NAHBVSIUTRJNDP-GXSJLCMTSA-N -2 0 374.319 0.566 20 0 FCADRL O=C([O-])[C@@H]1C[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c2ccccc21 ZINC001594714806 956913845 /nfs/dbraw/zinc/91/38/45/956913845.db2.gz MYZLYXDWQHLZSK-DGCLKSJQSA-N -2 0 353.338 0.501 20 0 FCADRL C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(C(=O)[O-])cn2)C1=O ZINC001589253441 956974385 /nfs/dbraw/zinc/97/43/85/956974385.db2.gz RPCVBGZLBPZXTE-QGZVFWFLSA-N -2 0 354.322 0.892 20 0 FCADRL O=C([O-])[C@@]1(NC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])CCOC1 ZINC001594724001 956983857 /nfs/dbraw/zinc/98/38/57/956983857.db2.gz QCFPRJJNTSIOGG-OAHLLOKOSA-N -2 0 353.281 0.830 20 0 FCADRL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]c1cccc(N2CCNC2=O)c1 ZINC000391785615 972372300 /nfs/dbraw/zinc/37/23/00/972372300.db2.gz SEVWRPDINNGQJT-UHFFFAOYSA-N -2 0 351.344 0.438 20 0 FCADRL C[S@](=O)(=NS(=O)(=O)[N-][C@@]1(C(=O)[O-])CCOC1)c1ccccc1F ZINC001574241852 960465963 /nfs/dbraw/zinc/46/59/63/960465963.db2.gz GJEYYSLCIGNZCQ-AMXDTQDGSA-N -2 0 366.392 0.361 20 0 FCADRL CCC/C=C/[C@H](O)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001573841399 961081814 /nfs/dbraw/zinc/08/18/14/961081814.db2.gz SLSDFSGLNXHSBD-RBCQHPLLSA-N -2 0 366.336 0.826 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCN(CC(F)(F)F)C2)on1 ZINC000316172139 963987126 /nfs/dbraw/zinc/98/71/26/963987126.db2.gz JJTHAOILFWJAHW-SSDOTTSWSA-N -2 0 357.310 0.535 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cnn(C2CC2)c1 ZINC001605970958 972979100 /nfs/dbraw/zinc/97/91/00/972979100.db2.gz SXOSTXZANDZGPJ-MNOVXSKESA-N -2 0 374.319 0.954 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cncs1 ZINC001605970976 972980280 /nfs/dbraw/zinc/98/02/80/972980280.db2.gz TXDWXXUQSDNEPL-SVRRBLITSA-N -2 0 351.306 0.879 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)n[nH]1 ZINC001604376395 973095702 /nfs/dbraw/zinc/09/57/02/973095702.db2.gz ULGALAZWBWWQDI-HRDYMLBCSA-N -2 0 359.404 0.610 20 0 FCADRL O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1c([O-])cccc1OC(F)(F)F ZINC001606053748 973161193 /nfs/dbraw/zinc/16/11/93/973161193.db2.gz LYZOUPSHRBNCFQ-ZETCQYMHSA-N -2 0 371.289 0.765 20 0 FCADRL Cc1nnccc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001605444746 973510965 /nfs/dbraw/zinc/51/09/65/973510965.db2.gz SWWMZPWFIQAXAY-NXEZZACHSA-N -2 0 360.292 0.521 20 0 FCADRL CC(C)n1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)nn1 ZINC001592126405 976941928 /nfs/dbraw/zinc/94/19/28/976941928.db2.gz KMRXWXOTBTVMJO-UHFFFAOYSA-N -2 0 352.372 0.817 20 0 FCADRL CC(C)n1nccc1NC(=O)[C@H](C)S(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001592168970 977064132 /nfs/dbraw/zinc/06/41/32/977064132.db2.gz CVEXNDIDLVTASX-QMMMGPOBSA-N -2 0 355.376 0.686 20 0 FCADRL C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC001592405655 977975761 /nfs/dbraw/zinc/97/57/61/977975761.db2.gz BMXXLXJKWKPHMW-TZOMUSMUSA-N -2 0 357.384 0.631 20 0 FCADRL C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001592406037 977979550 /nfs/dbraw/zinc/97/95/50/977979550.db2.gz KCYNMHIFZRTLLQ-QMMMGPOBSA-N -2 0 365.791 0.884 20 0 FCADRL C[C@@H](C[C@H]1CCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1)C(=O)[O-] ZINC001592463728 978191639 /nfs/dbraw/zinc/19/16/39/978191639.db2.gz HZUKGXBZLMXNJU-NWDGAFQWSA-N -2 0 362.448 0.851 20 0 FCADRL C[C@H](CN(C)C(=O)C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1)C(=O)[O-] ZINC001592564482 978459123 /nfs/dbraw/zinc/45/91/23/978459123.db2.gz YHAZMZQBTFRXKB-KZULUSFZSA-N -2 0 362.382 0.420 20 0 FCADRL C[C@](CO)(NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)C(=O)[O-] ZINC001592741600 979275857 /nfs/dbraw/zinc/27/58/57/979275857.db2.gz IDZFWYILUUDZSA-OAHLLOKOSA-N -2 0 351.384 0.027 20 0 FCADRL C[C@H](CO[N-]C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)NC(=O)OC(C)(C)C ZINC001592780937 979413052 /nfs/dbraw/zinc/41/30/52/979413052.db2.gz QASIDGQKJARYBH-GHMZBOCLSA-N -2 0 373.406 0.271 20 0 FCADRL C[C@H](CS(=O)(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1ccccn1)C(=O)[O-] ZINC001592789553 979433570 /nfs/dbraw/zinc/43/35/70/979433570.db2.gz KDJFRYRAOFWIPU-MIMYLULJSA-N -2 0 360.413 0.633 20 0 FCADRL C[C@H](CS(=O)(=O)N[C@H](Cc1c[nH]c2ncccc12)C(=O)[O-])C(=O)[O-] ZINC001592807614 979477743 /nfs/dbraw/zinc/47/77/43/979477743.db2.gz ODCRGDNWVANXDI-LDYMZIIASA-N -2 0 355.372 0.199 20 0 FCADRL C[C@@](Cc1ccc(F)cc1)(NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)[O-] ZINC001592847932 979628480 /nfs/dbraw/zinc/62/84/80/979628480.db2.gz YUDLHKREVFVEHB-KRWDZBQOSA-N -2 0 373.344 0.413 20 0 FCADRL CCC[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1)C(=O)[O-] ZINC001595608572 981612301 /nfs/dbraw/zinc/61/23/01/981612301.db2.gz KPJAWTOPJKPGJE-DGCLKSJQSA-N -2 0 363.363 0.345 20 0 FCADRL CCC[C@H](O)[C@@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C(=O)[O-] ZINC001595609374 981620445 /nfs/dbraw/zinc/62/04/45/981620445.db2.gz VFRPBGLXVZUYLP-GZMMTYOYSA-N -2 0 367.326 0.556 20 0 FCADRL CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C ZINC001595003813 982916545 /nfs/dbraw/zinc/91/65/45/982916545.db2.gz GOBRJUVHHVWMAV-VHSXEESVSA-N -2 0 366.436 0.989 20 0 FCADRL CCCO[N-]C(=O)C(=O)Nc1c(C(=O)[O-])cc(OC)c(OC)c1OC ZINC001595947287 983115670 /nfs/dbraw/zinc/11/56/70/983115670.db2.gz UFNFDFBDHIQZNF-UHFFFAOYSA-N -2 0 356.331 0.807 20 0 FCADRL CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001595986324 983230804 /nfs/dbraw/zinc/23/08/04/983230804.db2.gz MPSGTPFMLIRFSE-NEPJUHHUSA-N -2 0 370.427 0.746 20 0 FCADRL CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1C[C@H](C(=O)[O-])[C@H]2C[C@H]21 ZINC001596586411 984515153 /nfs/dbraw/zinc/51/51/53/984515153.db2.gz BCHOGWICZCXKEP-LRPJSKTQSA-N -2 0 373.349 0.899 20 0 FCADRL CCOC(=O)CC1(NS(=O)(=O)CC2(C(=O)[O-])CCCCC2)COC1 ZINC001596594089 984538679 /nfs/dbraw/zinc/53/86/79/984538679.db2.gz JXYNMYGBORWDFE-UHFFFAOYSA-N -2 0 363.432 0.663 20 0 FCADRL CCOC(=O)c1[n-]c(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)nc1Cl ZINC001596691652 984808119 /nfs/dbraw/zinc/80/81/19/984808119.db2.gz NRKKOJVWHXXJTN-ZETCQYMHSA-N -2 0 372.765 0.502 20 0 FCADRL CC(=O)[C@@H]1CC(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])=NN1c1ccccc1 ZINC001589026662 985044815 /nfs/dbraw/zinc/04/48/15/985044815.db2.gz IVNRJCVSASQNRM-ZDUSSCGKSA-N -2 0 367.383 0.131 20 0 FCADRL CC(=O)N1CCc2ccccc2[C@H]1CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001589093361 985283856 /nfs/dbraw/zinc/28/38/56/985283856.db2.gz PSLWWBAILACZGI-IINYFYTJSA-N -2 0 368.411 0.442 20 0 FCADRL CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001589137729 985442357 /nfs/dbraw/zinc/44/23/57/985442357.db2.gz PZCFUYDJSKKHEX-ZETCQYMHSA-N -2 0 364.401 0.046 20 0 FCADRL CC(=O)NC[C@H](CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])CC(C)C ZINC001589143880 985457762 /nfs/dbraw/zinc/45/77/62/985457762.db2.gz YRDNLDCDGHIXBS-GVXVVHGQSA-N -2 0 364.464 0.730 20 0 FCADRL CC(=O)Nc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])ccc1F ZINC001589170181 985522027 /nfs/dbraw/zinc/52/20/27/985522027.db2.gz FDWLZLBHYCGPDR-SFYZADRCSA-N -2 0 360.363 0.953 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1F ZINC001589204328 985661784 /nfs/dbraw/zinc/66/17/84/985661784.db2.gz VORGXTLQTFYJMF-UHFFFAOYSA-N -2 0 356.335 0.866 20 0 FCADRL CCOCCOCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001596934968 986042575 /nfs/dbraw/zinc/04/25/75/986042575.db2.gz RRCBGLAJPZFHNK-UHFFFAOYSA-N -2 0 365.791 0.896 20 0 FCADRL CCO[N-]C(=O)CNC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC001596968451 986182927 /nfs/dbraw/zinc/18/29/27/986182927.db2.gz NETWKROZDGSHIO-UHFFFAOYSA-N -2 0 352.347 0.080 20 0 FCADRL CCOc1cc(C(=O)N(C)Cc2n[n-]c(=O)o2)ccc1OCC(=O)[O-] ZINC001596994623 986292991 /nfs/dbraw/zinc/29/29/91/986292991.db2.gz WAVXKPVAGXDGIQ-UHFFFAOYSA-N -2 0 351.315 0.910 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC001594557090 986299765 /nfs/dbraw/zinc/29/97/65/986299765.db2.gz NYCYGAPEXAJLLU-GPCCPHFNSA-N -2 0 357.384 0.565 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)n1nnnc1C(C)(C)C ZINC001589450697 986842163 /nfs/dbraw/zinc/84/21/63/986842163.db2.gz FHXJAOCWJKLALZ-XHNCKOQMSA-N -2 0 361.424 0.087 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC001589451518 986846161 /nfs/dbraw/zinc/84/61/61/986846161.db2.gz IUDYBFRXVXGCHO-XQQFMLRXSA-N -2 0 368.455 0.988 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccnc(N2CCCCC2)n1 ZINC001589453128 986858099 /nfs/dbraw/zinc/85/80/99/986858099.db2.gz DNQGDVXKLMYTNU-WDEREUQCSA-N -2 0 370.431 0.636 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)OCCO2 ZINC001589453988 986870590 /nfs/dbraw/zinc/87/05/90/986870590.db2.gz SJGUFFVZRNTBOV-UWVGGRQHSA-N -2 0 357.384 0.556 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(C(=O)NC2CC2)c1 ZINC001589454337 986876308 /nfs/dbraw/zinc/87/63/08/986876308.db2.gz NSEHQDIIGCQPOJ-NXEZZACHSA-N -2 0 368.411 0.748 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC001589454885 986886206 /nfs/dbraw/zinc/88/62/06/986886206.db2.gz YAEUUNWVHMFCHY-NGZCFLSTSA-N -2 0 363.432 0.910 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OC(F)F)cn1 ZINC001589455414 986896967 /nfs/dbraw/zinc/89/69/67/986896967.db2.gz ZZOMAZWTLZDIAZ-NKWVEPMBSA-N -2 0 352.315 0.852 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCNC(=O)c1ccc(F)cc1 ZINC001589494023 987069686 /nfs/dbraw/zinc/06/96/86/987069686.db2.gz HTERKLBSJVHUQB-VIFPVBQESA-N -2 0 360.363 0.255 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC001589495222 987073500 /nfs/dbraw/zinc/07/35/00/987073500.db2.gz NLVOIMOJEOSZIS-ZWNOBZJWSA-N -2 0 358.391 0.709 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1 ZINC001589496475 987078710 /nfs/dbraw/zinc/07/87/10/987078710.db2.gz WZMPOUXLULGWPJ-ISVAXAHUSA-N -2 0 368.383 0.255 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CCCCN1C(=O)c1cccs1 ZINC001589496461 987078887 /nfs/dbraw/zinc/07/88/87/987078887.db2.gz WSSSPTTVONBBAE-NXEZZACHSA-N -2 0 374.440 0.662 20 0 FCADRL CCC(=O)C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC)C(=O)[O-] ZINC001594695076 987111415 /nfs/dbraw/zinc/11/14/15/987111415.db2.gz APFRQMLGYOGGKR-JTQLQIEISA-N -2 0 359.356 0.494 20 0 FCADRL CC(C)(C(=O)[O-])[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001589588751 987386146 /nfs/dbraw/zinc/38/61/46/987386146.db2.gz HYQVDPISPKCHJB-CHWSQXEVSA-N -2 0 362.382 0.888 20 0 FCADRL CC[C@H](C)[C@H](NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1)C(=O)[O-] ZINC001597314176 987435659 /nfs/dbraw/zinc/43/56/59/987435659.db2.gz DFSAENQRZPXUCW-ZANVPECISA-N -2 0 352.343 0.704 20 0 FCADRL CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001597321737 987449175 /nfs/dbraw/zinc/44/91/75/987449175.db2.gz BTPHUYJPYVGWQX-CPCISQLKSA-N -2 0 360.388 0.642 20 0 FCADRL CCc1cc(=O)n2[n-]c(NS(=O)(=O)c3cc(C(=O)[O-])cs3)nc2n1 ZINC001597424884 987749732 /nfs/dbraw/zinc/74/97/32/987749732.db2.gz ZCTJOLSEFLWYHO-UHFFFAOYSA-N -2 0 369.384 0.541 20 0 FCADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC001589699774 987787674 /nfs/dbraw/zinc/78/76/74/987787674.db2.gz RFGJJWNAMDWPLT-LBPRGKRZSA-N -2 0 372.399 0.735 20 0 FCADRL CCc1ccc(NC(=O)C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)c(C(=O)[O-])c1 ZINC001597537779 988217519 /nfs/dbraw/zinc/21/75/19/988217519.db2.gz QPSRBHHONYXVGN-CYBMUJFWSA-N -2 0 374.353 0.561 20 0 FCADRL CSc1c(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cnn1C ZINC001599804972 988238815 /nfs/dbraw/zinc/23/88/15/988238815.db2.gz QUQTVNJQTYIGBR-UHFFFAOYSA-N -2 0 359.385 0.860 20 0 FCADRL CC(C)(C)OC(=O)[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C1CC1 ZINC001589843487 988345459 /nfs/dbraw/zinc/34/54/59/988345459.db2.gz VZVPGJAOGLFRCI-SNVBAGLBSA-N -2 0 363.432 0.911 20 0 FCADRL C[C@@H](O)[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-])C(=O)[O-] ZINC001599845206 988919360 /nfs/dbraw/zinc/91/93/60/988919360.db2.gz QDJCBZGZKGZGQV-ANLVUFKYSA-N -2 0 371.289 0.516 20 0 FCADRL C[C@@H]1CN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C[C@@H](C(=O)[O-])O1 ZINC001599855395 989079933 /nfs/dbraw/zinc/07/99/33/989079933.db2.gz FVGLOSRBCVRXRJ-SKDRFNHKSA-N -2 0 363.395 0.386 20 0 FCADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-] ZINC001597777794 989250355 /nfs/dbraw/zinc/25/03/55/989250355.db2.gz FUSVWEVURKSTGU-RTHLEPHNSA-N -2 0 361.372 0.793 20 0 FCADRL CCn1c(=O)[nH]c2ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])cc21 ZINC001597835415 989513944 /nfs/dbraw/zinc/51/39/44/989513944.db2.gz GKOYVUHLYOGRJW-BDAKNGLRSA-N -2 0 369.399 0.931 20 0 FCADRL CC(C)(C)OC(=O)NCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001590185411 989542452 /nfs/dbraw/zinc/54/24/52/989542452.db2.gz RYIQLPUZERQKLA-UHFFFAOYSA-N -2 0 363.392 0.956 20 0 FCADRL CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)CCCF ZINC001590246660 989636491 /nfs/dbraw/zinc/63/64/91/989636491.db2.gz NQOWGHTZWKWWSH-QMMMGPOBSA-N -2 0 356.372 0.160 20 0 FCADRL CCn1cc(CC(=O)[N-]S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cn1 ZINC001597884384 989720768 /nfs/dbraw/zinc/72/07/68/989720768.db2.gz LKLHCAWFMRRDAH-UHFFFAOYSA-N -2 0 352.372 0.617 20 0 FCADRL CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])NC(=O)c1c[n-]n2c1nccc2=O ZINC001590343229 989792015 /nfs/dbraw/zinc/79/20/15/989792015.db2.gz HOYPNTVOANMGHG-JTQLQIEISA-N -2 0 364.358 0.328 20 0 FCADRL CCn1nncc1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001597973691 990029711 /nfs/dbraw/zinc/02/97/11/990029711.db2.gz FDCMOKRRLNPRQF-UHFFFAOYSA-N -2 0 358.763 0.768 20 0 FCADRL CCn1nncc1C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001597974294 990034037 /nfs/dbraw/zinc/03/40/37/990034037.db2.gz QIRHJUHNDHCFKW-UHFFFAOYSA-N -2 0 360.298 0.393 20 0 FCADRL CN(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598087839 990419432 /nfs/dbraw/zinc/41/94/32/990419432.db2.gz KWZIGUAPNWXGFW-LBPRGKRZSA-N -2 0 371.415 0.547 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@]1(c2ccccc2)CNC(=O)C1)C(=O)[O-] ZINC001590798358 990621721 /nfs/dbraw/zinc/62/17/21/990621721.db2.gz UCXPTJOWRAQTAB-INIZCTEOSA-N -2 0 368.411 0.001 20 0 FCADRL CC(C)(CS(=O)(=O)N[C@H](Cc1c[nH]c2ncccc12)C(=O)[O-])C(=O)[O-] ZINC001590798956 990626179 /nfs/dbraw/zinc/62/61/79/990626179.db2.gz INRKCWYGEVQASW-LLVKDONJSA-N -2 0 369.399 0.589 20 0 FCADRL CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)C(=O)[O-] ZINC001590982438 991151124 /nfs/dbraw/zinc/15/11/24/991151124.db2.gz OAVRVEAEELZVCS-VXGBXAGGSA-N -2 0 356.419 0.809 20 0 FCADRL CN(C)c1noc(C[N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)n1 ZINC001598364617 991507653 /nfs/dbraw/zinc/50/76/53/991507653.db2.gz NOGTWDBBPNATNR-UHFFFAOYSA-N -2 0 362.314 0.591 20 0 FCADRL CN1C(=O)CCc2cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])ccc21 ZINC001598552456 993019370 /nfs/dbraw/zinc/01/93/70/993019370.db2.gz WELXJHXBCPVVFE-UHFFFAOYSA-N -2 0 368.411 0.766 20 0 FCADRL CN1C(=O)COc2cc([N-]S(=O)(=O)c3n[nH]cc3C(=O)[O-])ccc21 ZINC001598552515 993020057 /nfs/dbraw/zinc/02/00/57/993020057.db2.gz ASTMVSYECMNEBO-UHFFFAOYSA-N -2 0 352.328 0.264 20 0 FCADRL CN1C(=O)CN([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)C1=O ZINC001598552584 993020890 /nfs/dbraw/zinc/02/08/90/993020890.db2.gz LEVZIRGZDLDIBU-UHFFFAOYSA-N -2 0 365.726 0.265 20 0 FCADRL COc1ccc(F)cc1CC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001599583233 993578779 /nfs/dbraw/zinc/57/87/79/993578779.db2.gz PBLCBTYGIYJTLA-UHFFFAOYSA-N -2 0 374.390 0.534 20 0 FCADRL COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)c1 ZINC001599606805 993896883 /nfs/dbraw/zinc/89/68/83/993896883.db2.gz PMDQUMFXMGMFMM-MNOVXSKESA-N -2 0 359.356 0.141 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)c(CC(=O)[O-])c1 ZINC001599609567 993933797 /nfs/dbraw/zinc/93/37/97/993933797.db2.gz JIQUWJIXEKLLFK-SKDRFNHKSA-N -2 0 357.384 0.806 20 0 FCADRL COc1ccc(S(=O)(=O)N2[C@@H](C)CC[C@H]2C(=O)[O-])c(CC(=O)[O-])c1 ZINC001599610710 993949495 /nfs/dbraw/zinc/94/94/95/993949495.db2.gz KWJARSFSVCFWAJ-CABZTGNLSA-N -2 0 357.384 0.949 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)c(CC(=O)[O-])c1 ZINC001599611975 993967145 /nfs/dbraw/zinc/96/71/45/993967145.db2.gz BIDJUHZTMKWNDM-GXSJLCMTSA-N -2 0 355.368 0.630 20 0 FCADRL COc1ccc(S(=O)(=O)NCC[C@H](C)C(=O)[O-])c(OC)c1C(=O)[O-] ZINC001599615511 994009489 /nfs/dbraw/zinc/00/94/89/994009489.db2.gz NVPQCSQTTPSVDY-QMMMGPOBSA-N -2 0 361.372 0.791 20 0 FCADRL C[C@](NC(=O)c1cccc(-n2[n-]nnc2=N)c1)(C(=O)[O-])c1ccccc1 ZINC001593175660 994048813 /nfs/dbraw/zinc/04/88/13/994048813.db2.gz VGJQQAKJFMUXJR-QGZVFWFLSA-N -2 0 352.354 0.805 20 0 FCADRL C[C@@H](NC(=O)c1ccccc1)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001593176485 994056428 /nfs/dbraw/zinc/05/64/28/994056428.db2.gz XLXIJMMDEUHOLB-SNVBAGLBSA-N -2 0 356.400 0.362 20 0 FCADRL COc1cccc(-c2nc(C)c(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])[nH]2)c1 ZINC001599639947 994344058 /nfs/dbraw/zinc/34/40/58/994344058.db2.gz DKTFKGJTDKDGGA-VIFPVBQESA-N -2 0 367.383 0.926 20 0 FCADRL CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC001598655785 994519417 /nfs/dbraw/zinc/51/94/17/994519417.db2.gz NPIMOYGKMUZBJO-UHFFFAOYSA-N -2 0 352.372 0.506 20 0 FCADRL CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1ccc(C=CC(=O)[O-])cc1 ZINC001598656239 994527388 /nfs/dbraw/zinc/52/73/88/994527388.db2.gz XROGDLHIVKWZPA-YVMONPNESA-N -2 0 364.383 0.976 20 0 FCADRL CNC(=O)c1cccc(CCC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])c1 ZINC001598659942 994579569 /nfs/dbraw/zinc/57/95/69/994579569.db2.gz FZMOAUMTIDCSDZ-WDEREUQCSA-N -2 0 370.427 0.534 20 0 FCADRL COc1cccc(COCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC001599675116 994884819 /nfs/dbraw/zinc/88/48/19/994884819.db2.gz MADFJMWLEIYQGG-QWRGUYRKSA-N -2 0 359.400 0.767 20 0 FCADRL COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)o1 ZINC001598694885 995120692 /nfs/dbraw/zinc/12/06/92/995120692.db2.gz NSFUJGXUHOFKOM-RXMQYKEDSA-N -2 0 356.150 0.337 20 0 FCADRL COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC001598695200 995126025 /nfs/dbraw/zinc/12/60/25/995126025.db2.gz PZWDIWXWFHLPFJ-JTQLQIEISA-N -2 0 359.356 0.296 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-])c1ccn(C)n1 ZINC001598713445 995375823 /nfs/dbraw/zinc/37/58/23/995375823.db2.gz NSJTUABNTLNACJ-CYBMUJFWSA-N -2 0 367.383 0.619 20 0 FCADRL COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])sc1C)C(=O)[O-] ZINC001598838710 996506970 /nfs/dbraw/zinc/50/69/70/996506970.db2.gz CLFAPDNDSYBTLW-LURJTMIESA-N -2 0 351.358 0.049 20 0 FCADRL COC(=O)C[C@@H](NS(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1)C(=O)[O-] ZINC001598839233 996511150 /nfs/dbraw/zinc/51/11/50/996511150.db2.gz IUFUBICWVMUPBL-LLVKDONJSA-N -2 0 359.356 0.296 20 0 FCADRL COC(=O)CCCO[N-]C(=O)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001598851996 996612124 /nfs/dbraw/zinc/61/21/24/996612124.db2.gz CLMLNDAMAOEZNF-UHFFFAOYSA-N -2 0 352.343 0.941 20 0 FCADRL COC(=O)CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C)C(=O)[O-] ZINC001598857500 996650462 /nfs/dbraw/zinc/65/04/62/996650462.db2.gz VZVXKTMCEXAYOQ-LLVKDONJSA-N -2 0 373.383 0.686 20 0 FCADRL COC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)n1 ZINC001598874431 996754597 /nfs/dbraw/zinc/75/45/97/996754597.db2.gz QTFRTVRZTISHNJ-UHFFFAOYSA-N -2 0 357.369 0.753 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])sc2C)cn1 ZINC001598875241 996759461 /nfs/dbraw/zinc/75/94/61/996759461.db2.gz YONAMEJIWZQHSB-UHFFFAOYSA-N -2 0 359.385 0.925 20 0 FCADRL COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001598876847 996768042 /nfs/dbraw/zinc/76/80/42/996768042.db2.gz LUUXJGOPUOFNCC-UHFFFAOYSA-N -2 0 362.360 0.570 20 0 FCADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-] ZINC001599384487 996920468 /nfs/dbraw/zinc/92/04/68/996920468.db2.gz KCTUFFKFAYIELX-ZETCQYMHSA-N -2 0 367.401 0.301 20 0 FCADRL COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])c1 ZINC001599490370 996927247 /nfs/dbraw/zinc/92/72/47/996927247.db2.gz UVYYESQFGWBLJV-LBPRGKRZSA-N -2 0 352.343 0.947 20 0 FCADRL COCC1(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCCCC1 ZINC001599185568 997019737 /nfs/dbraw/zinc/01/97/37/997019737.db2.gz AWKQNRDNQAKTOQ-UHFFFAOYSA-N -2 0 362.448 0.741 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](C)O[C@H](C)[C@H]1C(=O)[O-] ZINC001599501561 997131715 /nfs/dbraw/zinc/13/17/15/997131715.db2.gz OCKHDCDQVHBHBZ-RWEMILLDSA-N -2 0 373.383 0.645 20 0 FCADRL COC1(C[C@H](NS(=O)(=O)CC2(C(=O)[O-])CCCC2)C(=O)[O-])CCC1 ZINC001599087970 997135426 /nfs/dbraw/zinc/13/54/26/997135426.db2.gz CHUFULNBBRBEON-NSHDSACASA-N -2 0 363.432 0.963 20 0 FCADRL COC1(C[C@H](NS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C(=O)[O-])CCC1 ZINC001599088272 997140633 /nfs/dbraw/zinc/14/06/33/997140633.db2.gz INCBGORRWYRTRH-SDDRHHMPSA-N -2 0 363.432 0.962 20 0 FCADRL COc1ccc([C@H](CC(=O)[O-])NC(=O)CCCc2nnn[n-]2)cc1OC ZINC001599509139 997266163 /nfs/dbraw/zinc/26/61/63/997266163.db2.gz DHRVEHWGFALGDD-NSHDSACASA-N -2 0 363.374 0.872 20 0 FCADRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)NC/C=C\C(=O)[O-] ZINC001598916443 997475896 /nfs/dbraw/zinc/47/58/96/997475896.db2.gz SPAVYZVGEAWKSF-ARJAWSKDSA-N -2 0 363.369 0.460 20 0 FCADRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)[N-]C(=O)[C@@H](C)OC ZINC001598916579 997479497 /nfs/dbraw/zinc/47/94/97/997479497.db2.gz VIQOIILFHQYOOZ-ZCFIWIBFSA-N -2 0 365.385 0.381 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC001598923639 997615684 /nfs/dbraw/zinc/61/56/84/997615684.db2.gz ONMPOAQAXAWTEC-LBPRGKRZSA-N -2 0 371.367 0.799 20 0 FCADRL COCC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)C(=O)[O-] ZINC001599218219 997619402 /nfs/dbraw/zinc/61/94/02/997619402.db2.gz GSFWBMWBGCAEPN-SECBINFHSA-N -2 0 351.764 0.806 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC001598924139 997623585 /nfs/dbraw/zinc/62/35/85/997623585.db2.gz VBWSLGDPBJJFQI-OAHLLOKOSA-N -2 0 371.367 0.657 20 0 FCADRL COc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)ccc1C(=O)[O-] ZINC001599428151 997712382 /nfs/dbraw/zinc/71/23/82/997712382.db2.gz GZBRLMQIGYIRIE-GXSJLCMTSA-N -2 0 364.354 0.901 20 0 FCADRL COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC001599232555 997888017 /nfs/dbraw/zinc/88/80/17/997888017.db2.gz MKOZOVGODSBLHI-VIFPVBQESA-N -2 0 363.363 0.943 20 0 FCADRL COC(=O)c1cc(NC(=O)C[C@@]2(C(=O)[O-])CCOC2)ccc1C(=O)[O-] ZINC001598938095 997908863 /nfs/dbraw/zinc/90/88/63/997908863.db2.gz PFROTPIIRRYDFF-INIZCTEOSA-N -2 0 351.311 0.991 20 0 FCADRL C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)[N-]OCCCC(=O)[O-])C1=O ZINC001594072439 997919205 /nfs/dbraw/zinc/91/92/05/997919205.db2.gz BGKYPBZRHSWCAU-INIZCTEOSA-N -2 0 367.333 0.505 20 0 FCADRL CO[C@@H]1CN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)[C@@](C)(C(=O)[O-])C1 ZINC001599136292 998049713 /nfs/dbraw/zinc/04/97/13/998049713.db2.gz CRGNKVICKNDJMB-XHDPSFHLSA-N -2 0 357.384 0.566 20 0 FCADRL CO[C@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2C)[C@](C)(C(=O)[O-])C1 ZINC001599136606 998054956 /nfs/dbraw/zinc/05/49/56/998054956.db2.gz MEEOIOAJRRXXAP-BMIGLBTASA-N -2 0 357.384 0.946 20 0 FCADRL CO[C@@H]1COCC[C@@H]1CC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001599141379 998136339 /nfs/dbraw/zinc/13/63/39/998136339.db2.gz XDHQFAZHMGGCDG-TZMCWYRMSA-N -2 0 371.411 0.772 20 0 FCADRL COc1cc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc([N-]S(C)(=O)=O)c1OC ZINC001599354564 998156927 /nfs/dbraw/zinc/15/69/27/998156927.db2.gz JOPMZUVRPIAXGK-MGCOHNPYSA-N -2 0 372.399 0.668 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])C2CC2)c(C(=O)[O-])s1 ZINC001598952815 998186149 /nfs/dbraw/zinc/18/61/49/998186149.db2.gz VRGQMBWSXPHYIY-UHFFFAOYSA-N -2 0 363.369 0.471 20 0 FCADRL COCCO[N-]C(=O)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC001599252053 998249479 /nfs/dbraw/zinc/24/94/79/998249479.db2.gz CLPPPZHGYWXOCO-UHFFFAOYSA-N -2 0 361.148 0.780 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CC[C@@H](C)[C@@H]2C(=O)[O-])c1 ZINC001598962416 998356941 /nfs/dbraw/zinc/35/69/41/998356941.db2.gz APJWGVWQXQEQGD-PRHODGIISA-N -2 0 371.367 0.655 20 0 FCADRL COC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1)C(=O)[O-] ZINC001599155196 998360466 /nfs/dbraw/zinc/36/04/66/998360466.db2.gz NOBDJQARGZDZMZ-NSHDSACASA-N -2 0 355.752 0.488 20 0 FCADRL COCCOc1cncc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001599262186 998405345 /nfs/dbraw/zinc/40/53/45/998405345.db2.gz VFOWSAJYOOZMPN-NXEZZACHSA-N -2 0 360.388 0.276 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001598969663 998490415 /nfs/dbraw/zinc/49/04/15/998490415.db2.gz AGTYMENJNSVCJB-SNVBAGLBSA-N -2 0 357.340 0.409 20 0 FCADRL COC(=O)c1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001598972032 998534181 /nfs/dbraw/zinc/53/41/81/998534181.db2.gz PGBGIXLMULNICU-UHFFFAOYSA-N -2 0 354.340 0.680 20 0 FCADRL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1cnc(C(=O)[O-])cn1 ZINC001598982665 998671721 /nfs/dbraw/zinc/67/17/21/998671721.db2.gz UXNNYLPTGPYTQX-UHFFFAOYSA-N -2 0 355.303 0.901 20 0 FCADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)C1 ZINC001594209556 998811170 /nfs/dbraw/zinc/81/11/70/998811170.db2.gz DHKGJPDGGJIEMQ-WCQYABFASA-N -2 0 354.403 0.659 20 0 FCADRL COC(=O)c1ccccc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1C ZINC001599001544 998824056 /nfs/dbraw/zinc/82/40/56/998824056.db2.gz FDMTXOPJMSHUCM-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL CO[C@](C)(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)OC(C)(C)C ZINC001599032176 999058093 /nfs/dbraw/zinc/05/80/93/999058093.db2.gz WMVHKAZTGLYOSY-CQSZACIVSA-N -2 0 367.420 0.290 20 0 FCADRL CO[C@H](C[C@@H](NS(=O)(=O)c1ccsc1C(=O)[O-])C(=O)[O-])C1CC1 ZINC001599042704 999129256 /nfs/dbraw/zinc/12/92/56/999129256.db2.gz DEWFNKBXRRGSFN-RKDXNWHRSA-N -2 0 363.413 0.993 20 0 FCADRL CC[C@H](CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000297197827 214384917 /nfs/dbraw/zinc/38/49/17/214384917.db2.gz MIERDWOBIMQQJE-SSDOTTSWSA-N -2 0 356.360 0.215 20 0 FCADRL CC[C@@H](CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000297197831 214385927 /nfs/dbraw/zinc/38/59/27/214385927.db2.gz MIERDWOBIMQQJE-ZETCQYMHSA-N -2 0 356.360 0.215 20 0 FCADRL O=C([O-])CC1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000284998895 213264214 /nfs/dbraw/zinc/26/42/14/213264214.db2.gz GTTFMXHNRZFDJV-UHFFFAOYSA-N -2 0 368.371 0.311 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(OC(F)F)c(F)c1)C(=O)[O-] ZINC000280450658 212642398 /nfs/dbraw/zinc/64/23/98/212642398.db2.gz KSJBLBFGRSYMMT-SSDOTTSWSA-N -2 0 357.262 0.633 20 0 FCADRL CCCOC(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000275366113 212013692 /nfs/dbraw/zinc/01/36/92/212013692.db2.gz YBVVERZCZAEWSR-LLVKDONJSA-N -2 0 359.356 0.460 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cs1 ZINC000275045479 211952844 /nfs/dbraw/zinc/95/28/44/211952844.db2.gz HMGFJFDKAUQNHA-ZETCQYMHSA-N -2 0 351.358 0.131 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@H]1C(=O)[O-] ZINC000274958280 211938044 /nfs/dbraw/zinc/93/80/44/211938044.db2.gz BEKYKJYJFRBIBO-VXGBXAGGSA-N -2 0 355.368 0.418 20 0 FCADRL CC(C)[C@@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000274960527 211937844 /nfs/dbraw/zinc/93/78/44/211937844.db2.gz HOBGXABOPJQCSW-SECBINFHSA-N -2 0 356.360 0.071 20 0 FCADRL CCC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])c1nnn[n-]1 ZINC000436782615 248049295 /nfs/dbraw/zinc/04/92/95/248049295.db2.gz OBILRFPGBRYMPG-NSHDSACASA-N -2 0 368.419 0.427 20 0 FCADRL COCCn1cc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)cn1 ZINC000443403683 248324436 /nfs/dbraw/zinc/32/44/36/248324436.db2.gz BUJBENBOUCEZFW-UHFFFAOYSA-N -2 0 365.375 0.012 20 0 FCADRL CC(C)C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)c1nc(-c2nnc[n-]2)no1 ZINC000270973897 211310673 /nfs/dbraw/zinc/31/06/73/211310673.db2.gz IKSRYQKYFGNWRV-VIFPVBQESA-N -2 0 374.361 0.171 20 0 FCADRL CCS(=O)(=O)c1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccnn2C)c1 ZINC000485079613 250563430 /nfs/dbraw/zinc/56/34/30/250563430.db2.gz QNBISDGNTWTTIG-UHFFFAOYSA-N -2 0 373.412 0.713 20 0 FCADRL COc1cc(OC)cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1 ZINC000275144265 533081709 /nfs/dbraw/zinc/08/17/09/533081709.db2.gz QRYRRCFOEVIYHJ-OLZOCXBDSA-N -2 0 373.383 0.500 20 0 FCADRL COc1ccc(Cl)cc1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-] ZINC000278307384 488867095 /nfs/dbraw/zinc/86/70/95/488867095.db2.gz SDXIGPXEHPMPSW-ZETCQYMHSA-N -2 0 351.764 0.802 20 0 FCADRL C[C@H]1C(=O)Nc2ccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc21 ZINC000278546934 488881332 /nfs/dbraw/zinc/88/13/32/488881332.db2.gz ADAAQXSQNVCXFX-PRHODGIISA-N -2 0 370.383 0.729 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])c1 ZINC000278801721 488896733 /nfs/dbraw/zinc/89/67/33/488896733.db2.gz WFOLJKGHZGSRST-LLVKDONJSA-N -2 0 359.356 0.460 20 0 FCADRL O=C([O-])c1cn(CC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])nn1 ZINC000326521352 488915746 /nfs/dbraw/zinc/91/57/46/488915746.db2.gz DUKCVFGFOIXQNN-UHFFFAOYSA-N -2 0 359.295 0.002 20 0 FCADRL O=C(N=c1[n-]ncs1)N1CCCN(C(=O)N=c2[n-]ncs2)CC1 ZINC000328917055 488950631 /nfs/dbraw/zinc/95/06/31/488950631.db2.gz KMDSACACWFBNBY-UHFFFAOYSA-N -2 0 354.421 0.005 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)cn1 ZINC000032630820 487778676 /nfs/dbraw/zinc/77/86/76/487778676.db2.gz FQCZVLQJMTZUNZ-SNVBAGLBSA-N -2 0 364.383 0.658 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230106255 488452571 /nfs/dbraw/zinc/45/25/71/488452571.db2.gz AXOHHIGRHRVVPF-UHFFFAOYSA-N -2 0 370.152 0.748 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000093091638 488478376 /nfs/dbraw/zinc/47/83/76/488478376.db2.gz UONQFSSTWZHXML-QMMMGPOBSA-N -2 0 352.162 0.655 20 0 FCADRL C[C@H](O)[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC000274874296 488739600 /nfs/dbraw/zinc/73/96/00/488739600.db2.gz BKCYQASZLUEKMI-IGJIYHIXSA-N -2 0 374.159 0.840 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1Cl ZINC000274979127 488750058 /nfs/dbraw/zinc/75/00/58/488750058.db2.gz XKEHSDHLYOSZCQ-JTQLQIEISA-N -2 0 364.763 0.505 20 0 FCADRL COC(=O)c1ccccc1CS(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000275026157 488754347 /nfs/dbraw/zinc/75/43/47/488754347.db2.gz DXXQPPIQLRHBGT-NSHDSACASA-N -2 0 359.356 0.211 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1ccc(N2CCOC2=O)cc1)C(=O)[O-] ZINC000275027796 488754544 /nfs/dbraw/zinc/75/45/44/488754544.db2.gz FCIPCXUITFPVSB-NSHDSACASA-N -2 0 372.355 0.240 20 0 FCADRL Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cnc1Cl ZINC000275103817 488761890 /nfs/dbraw/zinc/76/18/90/488761890.db2.gz LZLSLFIWWOCNAT-UWVGGRQHSA-N -2 0 362.791 0.839 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)C[C@H]1C(=O)[O-] ZINC000275163297 488767546 /nfs/dbraw/zinc/76/75/46/488767546.db2.gz UHRNRPGKWNWUGS-NKWVEPMBSA-N -2 0 367.301 0.900 20 0 FCADRL CCOc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1 ZINC000275206182 488772499 /nfs/dbraw/zinc/77/24/99/488772499.db2.gz ZGTORGJBDXLPED-STQMWFEESA-N -2 0 357.384 0.881 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C[C@H]1C(=O)[O-] ZINC000275206312 488772623 /nfs/dbraw/zinc/77/26/23/488772623.db2.gz ZIAAJZWGVGWBAD-JGVFFNPUSA-N -2 0 367.301 0.900 20 0 FCADRL COCCn1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1C ZINC000267537758 488795188 /nfs/dbraw/zinc/79/51/88/488795188.db2.gz WKBOSYUXHRQDNJ-UHFFFAOYSA-N -2 0 356.404 0.984 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc3c2OCC3)C1 ZINC000570196465 491224005 /nfs/dbraw/zinc/22/40/05/491224005.db2.gz WVDSMXDTLUNSBY-HNNXBMFYSA-N -2 0 355.368 0.562 20 0 FCADRL CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000366318704 489170899 /nfs/dbraw/zinc/17/08/99/489170899.db2.gz GCYUXNLGSAOJAU-RYUDHWBXSA-N -2 0 364.420 0.015 20 0 FCADRL COC(=O)C(C)(C)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000563431233 491245002 /nfs/dbraw/zinc/24/50/02/491245002.db2.gz KTMYLYBJSXTCFR-NSHDSACASA-N -2 0 373.383 0.343 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-] ZINC000298838175 489371841 /nfs/dbraw/zinc/37/18/41/489371841.db2.gz AEJNDSJJXCNKIH-VIFPVBQESA-N -2 0 374.346 0.307 20 0 FCADRL C[C@@](CNS(=O)(=O)c1cnn(CC(F)(F)F)c1)(CC(=O)[O-])C(=O)[O-] ZINC000570898924 491272497 /nfs/dbraw/zinc/27/24/97/491272497.db2.gz HVVWUYHYSGPQCG-JTQLQIEISA-N -2 0 373.309 0.289 20 0 FCADRL C[C@](CNS(=O)(=O)c1cnn(CC(F)(F)F)c1)(CC(=O)[O-])C(=O)[O-] ZINC000570898925 491272531 /nfs/dbraw/zinc/27/25/31/491272531.db2.gz HVVWUYHYSGPQCG-SNVBAGLBSA-N -2 0 373.309 0.289 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1C(N)=O ZINC000489585894 489719104 /nfs/dbraw/zinc/71/91/04/489719104.db2.gz NEFVJVNBHWHDCG-UHFFFAOYSA-N -2 0 369.330 0.827 20 0 FCADRL CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000489729001 489726451 /nfs/dbraw/zinc/72/64/51/489726451.db2.gz QBVKWRQDPBEVNC-UHFFFAOYSA-N -2 0 370.362 0.609 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cn1 ZINC000475788779 489848311 /nfs/dbraw/zinc/84/83/11/489848311.db2.gz HHUSIJAZSFCCHN-UHFFFAOYSA-N -2 0 370.408 0.913 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)cn1C ZINC000476424267 489887181 /nfs/dbraw/zinc/88/71/81/489887181.db2.gz NXJZMHHTMCPKNW-UHFFFAOYSA-N -2 0 373.412 0.631 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c(F)c1 ZINC000564199142 491293306 /nfs/dbraw/zinc/29/33/06/491293306.db2.gz RMMLBRBLOXRWGG-QMMMGPOBSA-N -2 0 363.319 0.066 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cn1 ZINC000436723472 490011033 /nfs/dbraw/zinc/01/10/33/490011033.db2.gz NTXMLTVUIZVUPY-UHFFFAOYSA-N -2 0 369.355 0.569 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)cn1 ZINC000507586662 490238467 /nfs/dbraw/zinc/23/84/67/490238467.db2.gz USCZOVOLJQHULI-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)n1 ZINC000564554087 491313463 /nfs/dbraw/zinc/31/34/63/491313463.db2.gz FJWFPIXXJWMEMM-UHFFFAOYSA-N -2 0 352.372 0.186 20 0 FCADRL COc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)nn1C ZINC000547499660 490306059 /nfs/dbraw/zinc/30/60/59/490306059.db2.gz LPDKYLFGMRVYEE-UHFFFAOYSA-N -2 0 356.316 0.836 20 0 FCADRL C[C@@H]([C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-])C1CC1 ZINC000521906892 490310873 /nfs/dbraw/zinc/31/08/73/490310873.db2.gz NTHNHDOUZHDGSE-LDWIPMOCSA-N -2 0 368.371 0.214 20 0 FCADRL Cc1nc(-c2ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc2)co1 ZINC000547555647 490317059 /nfs/dbraw/zinc/31/70/59/490317059.db2.gz CKQTZEBUUOYZDM-NSHDSACASA-N -2 0 354.340 0.856 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000547596311 490326354 /nfs/dbraw/zinc/32/63/54/490326354.db2.gz GDIZSOJWWKOTJG-VXGBXAGGSA-N -2 0 372.355 0.532 20 0 FCADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000547600062 490327796 /nfs/dbraw/zinc/32/77/96/490327796.db2.gz VCISHVFIDGEWKM-VXGBXAGGSA-N -2 0 373.431 0.877 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])o1 ZINC000547609478 490330456 /nfs/dbraw/zinc/33/04/56/490330456.db2.gz KFPZHMZKMWPXAJ-CYBMUJFWSA-N -2 0 363.344 0.300 20 0 FCADRL C[C@@](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)(CC(=O)[O-])C(=O)[O-] ZINC000547615988 490331273 /nfs/dbraw/zinc/33/12/73/490331273.db2.gz RGHBOGILKIQIRS-ZDUSSCGKSA-N -2 0 360.344 0.580 20 0 FCADRL CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000547874742 490372243 /nfs/dbraw/zinc/37/22/43/490372243.db2.gz LXPAXJOIMTXLMC-LLVKDONJSA-N -2 0 372.399 0.877 20 0 FCADRL C[C@@H](CCC(=O)[O-])CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000547901125 490382349 /nfs/dbraw/zinc/38/23/49/490382349.db2.gz MECJKWAYXCJHGJ-ZETCQYMHSA-N -2 0 356.360 0.215 20 0 FCADRL COCc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1 ZINC000547924462 490386807 /nfs/dbraw/zinc/38/68/07/490386807.db2.gz BULQDKIMZMPCGV-CHWSQXEVSA-N -2 0 357.384 0.629 20 0 FCADRL C[C@@](CNS(=O)(=O)c1ccc2c(c1)OCCO2)(CC(=O)[O-])C(=O)[O-] ZINC000547932492 490391335 /nfs/dbraw/zinc/39/13/35/490391335.db2.gz GMLYXUMSHPHJQF-AWEZNQCLSA-N -2 0 359.356 0.302 20 0 FCADRL Cc1cc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)ccc1OCC(=O)[O-] ZINC000468366393 490395198 /nfs/dbraw/zinc/39/51/98/490395198.db2.gz BGWQOTWLCBDISR-NSHDSACASA-N -2 0 357.384 0.944 20 0 FCADRL CS(=O)(=O)c1cc([N-]S(=O)(=O)Cc2ccon2)cc(C(=O)[O-])c1 ZINC000548261676 490452597 /nfs/dbraw/zinc/45/25/97/490452597.db2.gz JKNKCVIZMVSCTD-UHFFFAOYSA-N -2 0 360.369 0.718 20 0 FCADRL Cc1nc(-c2ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc2)co1 ZINC000548528409 490496299 /nfs/dbraw/zinc/49/62/99/490496299.db2.gz CKQTZEBUUOYZDM-LLVKDONJSA-N -2 0 354.340 0.856 20 0 FCADRL COc1ccccc1-n1cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cn1 ZINC000548537909 490500708 /nfs/dbraw/zinc/50/07/08/490500708.db2.gz ORCMOGBOCMBVKT-UHFFFAOYSA-N -2 0 369.355 0.041 20 0 FCADRL C[C@](CNS(=O)(=O)c1ccc2c(c1)OCCCO2)(CC(=O)[O-])C(=O)[O-] ZINC000548594358 490514408 /nfs/dbraw/zinc/51/44/08/490514408.db2.gz PEHOCMOSMZGRQY-OAHLLOKOSA-N -2 0 373.383 0.692 20 0 FCADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccn(C)n2)c(OC)c1OC ZINC000524292259 490530248 /nfs/dbraw/zinc/53/02/48/490530248.db2.gz ZSFXVYOXHZPTRJ-UHFFFAOYSA-N -2 0 371.371 0.945 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)[N-]c2nc[nH]n2)cn1 ZINC000511192323 490569468 /nfs/dbraw/zinc/56/94/68/490569468.db2.gz SZYLVZWNBYTCOX-UHFFFAOYSA-N -2 0 353.389 0.653 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)c1C(=O)[O-] ZINC000536994300 490632798 /nfs/dbraw/zinc/63/27/98/490632798.db2.gz PFWIZJZEUFNWGF-UHFFFAOYSA-N -3 0 373.318 0.522 20 0 FCADRL CC[C@H](C)[C@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000564979754 491343024 /nfs/dbraw/zinc/34/30/24/491343024.db2.gz VRKACIVTCYDYDU-UFBFGSQYSA-N -2 0 364.370 0.859 20 0 FCADRL O=C(CCCC(=O)N=c1nc2ccccn2[n-]1)N=c1nc2ccccn2[n-]1 ZINC000537313182 490668895 /nfs/dbraw/zinc/66/88/95/490668895.db2.gz AHJVKWXKPPJDET-UHFFFAOYSA-N -2 0 364.369 0.363 20 0 FCADRL CCn1cc([N-]S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)cn1 ZINC000512569649 490688657 /nfs/dbraw/zinc/68/86/57/490688657.db2.gz UHOJFVGKGMHSFR-UHFFFAOYSA-N -2 0 352.372 0.518 20 0 FCADRL CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])s1 ZINC000538091420 490710486 /nfs/dbraw/zinc/71/04/86/490710486.db2.gz QTHWSTTUTFLQQK-UHFFFAOYSA-N -2 0 372.428 0.659 20 0 FCADRL Cc1n[nH]c(C(=O)N[C@@H](CN(C)C(=O)c2n[nH]c(C)c2[O-])C(C)C)c1[O-] ZINC000683118525 493334362 /nfs/dbraw/zinc/33/43/62/493334362.db2.gz TWCFWYQGDKHHHB-JTQLQIEISA-N -2 0 364.406 0.687 20 0 FCADRL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000539192578 490767313 /nfs/dbraw/zinc/76/73/13/490767313.db2.gz CQMHPKRGXXKTEB-UHFFFAOYSA-N -2 0 357.319 0.845 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1C ZINC000504265602 490793069 /nfs/dbraw/zinc/79/30/69/490793069.db2.gz DJQXHTGRGVJNQA-UHFFFAOYSA-N -2 0 366.399 0.745 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1C ZINC000504267686 490793195 /nfs/dbraw/zinc/79/31/95/490793195.db2.gz NVGCLVKODDZNLZ-UHFFFAOYSA-N -2 0 366.399 0.745 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1C ZINC000504294022 490794139 /nfs/dbraw/zinc/79/41/39/490794139.db2.gz XLMQPFBGXMMUBZ-UHFFFAOYSA-N -2 0 370.362 0.576 20 0 FCADRL Cc1cnc2c(cccc2S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000572814081 491394949 /nfs/dbraw/zinc/39/49/49/491394949.db2.gz VLUAPMCPHGORMX-NSHDSACASA-N -2 0 352.368 0.997 20 0 FCADRL CN(CCCC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000568885017 491616667 /nfs/dbraw/zinc/61/66/67/491616667.db2.gz UBSLJYSTOUADQM-UHFFFAOYSA-N -2 0 350.343 0.566 20 0 FCADRL C[C@H]1Cc2cc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])ccc2O1 ZINC000579067341 491690144 /nfs/dbraw/zinc/69/01/44/491690144.db2.gz YKVKCOSAHWXBHJ-BJOHPYRUSA-N -2 0 357.384 0.854 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)c(F)c1 ZINC000580503207 491733697 /nfs/dbraw/zinc/73/36/97/491733697.db2.gz FMKWSWYFJHNDMN-CQSZACIVSA-N -2 0 361.347 0.774 20 0 FCADRL CN(C)C(=O)c1ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC000581670325 491782135 /nfs/dbraw/zinc/78/21/35/491782135.db2.gz ZKFBXQOJKKXCTM-OAHLLOKOSA-N -2 0 372.399 0.232 20 0 FCADRL Cc1ncsc1CCS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000582006410 491793777 /nfs/dbraw/zinc/79/37/77/491793777.db2.gz JKJCWWPRSHXJGL-VHSXEESVSA-N -2 0 362.429 0.431 20 0 FCADRL COC(=O)c1c(C)cccc1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000614327144 492024278 /nfs/dbraw/zinc/02/42/78/492024278.db2.gz RFXSUWJKAAKZOW-VIFPVBQESA-N -2 0 359.356 0.378 20 0 FCADRL CCOC(=O)c1cccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000614327586 492024593 /nfs/dbraw/zinc/02/45/93/492024593.db2.gz GUECJQVTEDPDFD-LLVKDONJSA-N -2 0 359.356 0.460 20 0 FCADRL COC(=O)c1ccccc1CS(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000614327573 492024855 /nfs/dbraw/zinc/02/48/55/492024855.db2.gz DXXQPPIQLRHBGT-LLVKDONJSA-N -2 0 359.356 0.211 20 0 FCADRL Cc1cc(C(=O)Nc2ccc(OCC(N)=O)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000607030706 492136010 /nfs/dbraw/zinc/13/60/10/492136010.db2.gz ZTTUGSYXSYFQIX-UHFFFAOYSA-N -2 0 369.337 0.861 20 0 FCADRL COCCOc1cc([N-]S(=O)(=O)c2ncc[nH]2)c(C(=O)[O-])cc1OC ZINC000647921164 492383404 /nfs/dbraw/zinc/38/34/04/492383404.db2.gz ZVQMNJKSTGQOTM-UHFFFAOYSA-N -2 0 371.371 0.943 20 0 FCADRL CC[C@@H](CNC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC000649262639 492515639 /nfs/dbraw/zinc/51/56/39/492515639.db2.gz KPMSUPSYHORGCA-JTQLQIEISA-N -2 0 371.415 0.857 20 0 FCADRL CO[C@@H](CS(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1ccc(F)cc1 ZINC000629292042 492602706 /nfs/dbraw/zinc/60/27/06/492602706.db2.gz XNIBJGDDRHEBAI-RYUDHWBXSA-N -2 0 363.363 0.751 20 0 FCADRL COCCOc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000629323073 492609287 /nfs/dbraw/zinc/60/92/87/492609287.db2.gz APTGPKSCHXGMLL-UHFFFAOYSA-N -2 0 355.372 0.944 20 0 FCADRL O=C([O-])[C@]1(NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])CCOC1 ZINC000656564546 492634224 /nfs/dbraw/zinc/63/42/24/492634224.db2.gz QPCLQPINYBQTFS-NSHDSACASA-N -2 0 355.290 0.933 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1ccccc1-c1ccno1)C(=O)[O-] ZINC000681562701 493187268 /nfs/dbraw/zinc/18/72/68/493187268.db2.gz BNLRHBGNZJRRBD-SNVBAGLBSA-N -2 0 354.340 0.938 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000681562282 493187365 /nfs/dbraw/zinc/18/73/65/493187365.db2.gz AKDXKCGHDMWZHX-SSDOTTSWSA-N -2 0 367.177 0.440 20 0 FCADRL CC(=O)NCCN(C(=O)c1cccc(OCC(=O)[O-])c1)[C@@H](C)C(=O)[O-] ZINC000659761411 493287485 /nfs/dbraw/zinc/28/74/85/493287485.db2.gz IPNBXUYZXAZJEX-JTQLQIEISA-N -2 0 352.343 0.201 20 0 FCADRL CCOCCS(=O)(=O)N[C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684562210 493419214 /nfs/dbraw/zinc/41/92/14/493419214.db2.gz SPIQUGFXADVXSQ-CYBMUJFWSA-N -2 0 359.400 0.265 20 0 FCADRL COC[C@H](C)S(=O)(=O)N[C@@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684562348 493419267 /nfs/dbraw/zinc/41/92/67/493419267.db2.gz UVMVNJSQIZKYLT-GWCFXTLKSA-N -2 0 359.400 0.264 20 0 FCADRL COCCCS(=O)(=O)N[C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684561587 493419304 /nfs/dbraw/zinc/41/93/04/493419304.db2.gz HYGYABUIEWVASU-CYBMUJFWSA-N -2 0 359.400 0.265 20 0 FCADRL O=C([O-])[C@@H](C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1)C1CCCC1 ZINC000663117154 493572208 /nfs/dbraw/zinc/57/22/08/493572208.db2.gz NDYJPOQHWXKLPK-IUODEOHRSA-N -2 0 366.414 0.802 20 0 FCADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000663115479 493572308 /nfs/dbraw/zinc/57/23/08/493572308.db2.gz CCSNGWIJYLZGFU-ZWNOBZJWSA-N -2 0 354.403 0.657 20 0 FCADRL Cc1nn(C)c2c1N(C(=O)c1cc(C)c3c(=O)[n-]c(=O)nc-3[n-]1)CCO2 ZINC000678934045 493665742 /nfs/dbraw/zinc/66/57/42/493665742.db2.gz PBNFMXZSVNRZRV-UHFFFAOYSA-N -2 0 356.342 0.826 20 0 FCADRL CCCc1nc(=NC(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)s[n-]1 ZINC000417801351 535475528 /nfs/dbraw/zinc/47/55/28/535475528.db2.gz VRDLEYIWYUZICL-ONGXEEELSA-N -2 0 369.447 0.744 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-]CCSC[C@@H](C)C(=O)[O-] ZINC000592447320 546646628 /nfs/dbraw/zinc/64/66/28/546646628.db2.gz BZXQVXQWBPXECR-SSDOTTSWSA-N -2 0 368.458 0.662 20 0 FCADRL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(CC)c2)c(C(N)=O)n1 ZINC000278571246 547395509 /nfs/dbraw/zinc/39/55/09/547395509.db2.gz IKQVHPMCTNYHRJ-UHFFFAOYSA-N -2 0 355.376 0.322 20 0 FCADRL O=C([O-])[C@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000769516012 597160058 /nfs/dbraw/zinc/16/00/58/597160058.db2.gz LZBDQEAOEVJNHU-GFCCVEGCSA-N -2 0 356.375 0.956 20 0 FCADRL O=C([O-])CSCC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000821538029 597380307 /nfs/dbraw/zinc/38/03/07/597380307.db2.gz XYLVXVRCXKQCSJ-UHFFFAOYSA-N -2 0 372.877 0.614 20 0 FCADRL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c1 ZINC000737692346 599738499 /nfs/dbraw/zinc/73/84/99/599738499.db2.gz CRPAOWAVASMAMN-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1 ZINC000738041183 599739055 /nfs/dbraw/zinc/73/90/55/599739055.db2.gz XVKMNDLOTOPJKP-UHFFFAOYSA-N -2 0 368.371 0.736 20 0 FCADRL O=C([O-])CSCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000739848664 599798282 /nfs/dbraw/zinc/79/82/82/599798282.db2.gz FEQXISBSRDYJGX-UHFFFAOYSA-N -2 0 372.424 0.584 20 0 FCADRL O=C([O-])CSCCC(=O)[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC000739847250 599798381 /nfs/dbraw/zinc/79/83/81/599798381.db2.gz XVDSPQBTWNUXMD-UHFFFAOYSA-N -2 0 358.397 0.982 20 0 FCADRL O=C([O-])COc1cccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000739825858 599799127 /nfs/dbraw/zinc/79/91/27/599799127.db2.gz LDMZQNBUJKUGBG-ZDUSSCGKSA-N -2 0 357.384 0.779 20 0 FCADRL COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000737632437 599911871 /nfs/dbraw/zinc/91/18/71/599911871.db2.gz UJLONERBKINQEK-UHFFFAOYSA-N -2 0 364.401 0.730 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)CNC(=O)[O-])cc1Br ZINC000738061806 599966388 /nfs/dbraw/zinc/96/63/88/599966388.db2.gz JYNCSXIZQJWPPQ-UHFFFAOYSA-N -2 0 367.177 0.530 20 0 FCADRL CCOc1cc(C(=O)[N-]S(=O)(=O)N2CCCC2)ccc1OCC(=O)[O-] ZINC000737185298 600056607 /nfs/dbraw/zinc/05/66/07/600056607.db2.gz JROUBMLVXOYJDH-UHFFFAOYSA-N -2 0 372.399 0.619 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2ccc(CC(=O)NCC(=O)[O-])cc2)cn1 ZINC000737302908 600095436 /nfs/dbraw/zinc/09/54/36/600095436.db2.gz MGTBURPJWMXBRT-UHFFFAOYSA-N -2 0 366.399 0.447 20 0 FCADRL CCC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000736840269 600129223 /nfs/dbraw/zinc/12/92/23/600129223.db2.gz WAVBPILXGZOGNG-SECBINFHSA-N -2 0 374.440 0.900 20 0 FCADRL O=C([O-])[C@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)Cc1cccc(F)c1 ZINC000739355071 600153800 /nfs/dbraw/zinc/15/38/00/600153800.db2.gz DONUHWXOCDNYGN-NSHDSACASA-N -2 0 373.344 0.270 20 0 FCADRL C[C@H](Sc1ccccc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)C(=O)[O-] ZINC000736714673 600170470 /nfs/dbraw/zinc/17/04/70/600170470.db2.gz YXPRQXZNOKFJCT-GXSJLCMTSA-N -2 0 363.399 0.979 20 0 FCADRL CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cccc(C(=O)[O-])c1 ZINC000737135978 600178184 /nfs/dbraw/zinc/17/81/84/600178184.db2.gz OGALVTJCVXQSPY-LBPRGKRZSA-N -2 0 370.383 0.387 20 0 FCADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)n1 ZINC000739920325 600211429 /nfs/dbraw/zinc/21/14/29/600211429.db2.gz MGRHDSGGVSRHGT-UHFFFAOYSA-N -2 0 350.356 0.054 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(=O)N3)c1C(=O)[O-] ZINC000738827019 600233813 /nfs/dbraw/zinc/23/38/13/600233813.db2.gz FIABTFZTSDROLM-UHFFFAOYSA-N -2 0 352.328 0.548 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cnn(C[C@H]3CCCO3)c2)c1C(=O)[O-] ZINC000738828208 600233942 /nfs/dbraw/zinc/23/39/42/600233942.db2.gz RQFNPRVIEQCNIP-SNVBAGLBSA-N -2 0 355.376 0.593 20 0 FCADRL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])N1CCCC1=O ZINC000736348546 600241391 /nfs/dbraw/zinc/24/13/91/600241391.db2.gz ZFESZCFEEGPHNV-NSHDSACASA-N -2 0 374.440 0.898 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)c1ccc2nncn2c1 ZINC000739451886 600242273 /nfs/dbraw/zinc/24/22/73/600242273.db2.gz BIRCZWMEUGWMDJ-UHFFFAOYSA-N -2 0 352.353 0.608 20 0 FCADRL C[C@@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000736606964 600255369 /nfs/dbraw/zinc/25/53/69/600255369.db2.gz NUMSZHXJGOEFNZ-VIFPVBQESA-N -2 0 368.367 0.889 20 0 FCADRL CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])ccn1 ZINC000737353039 600360347 /nfs/dbraw/zinc/36/03/47/600360347.db2.gz WDCYRHXLJZBHDC-UHFFFAOYSA-N -2 0 367.358 0.843 20 0 FCADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccnc(C(=O)N(C)C)c2)c1C(=O)[O-] ZINC000738970965 600361222 /nfs/dbraw/zinc/36/12/22/600361222.db2.gz ZIAXZUMEMPBNFC-UHFFFAOYSA-N -2 0 367.383 0.914 20 0 FCADRL CC(C)n1cnnc1SCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736539471 600460170 /nfs/dbraw/zinc/46/01/70/600460170.db2.gz DYJIYPFIYCLYTM-UHFFFAOYSA-N -2 0 350.422 0.262 20 0 FCADRL COc1cn(-c2ccccc2)nc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000738148489 600460184 /nfs/dbraw/zinc/46/01/84/600460184.db2.gz VNCHHBFOYMIMGC-UHFFFAOYSA-N -2 0 367.383 0.805 20 0 FCADRL COc1ccc2c(c1)OC[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C2 ZINC000738079004 600460359 /nfs/dbraw/zinc/46/03/59/600460359.db2.gz FFPPCUHEVUUKNU-NSHDSACASA-N -2 0 357.384 0.557 20 0 FCADRL C[C@@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])NC(=O)C1CCCCC1 ZINC000736549043 600462945 /nfs/dbraw/zinc/46/29/45/600462945.db2.gz RDKOUNWFYUKZRF-NSHDSACASA-N -2 0 362.448 0.772 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000739692123 600463058 /nfs/dbraw/zinc/46/30/58/600463058.db2.gz MPJWBNKNEGWSTD-UHFFFAOYSA-N -2 0 358.397 0.655 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000739690827 600463435 /nfs/dbraw/zinc/46/34/35/600463435.db2.gz BQUIQPZUOMXRKQ-LBPRGKRZSA-N -2 0 368.411 0.888 20 0 FCADRL C[C@@H](NC(=O)CC1CCCCC1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736631691 600464743 /nfs/dbraw/zinc/46/47/43/600464743.db2.gz PRSCDYUCKGXLSI-LLVKDONJSA-N -2 0 362.448 0.772 20 0 FCADRL CCN(C)C(=O)c1cccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1 ZINC000737066477 600465522 /nfs/dbraw/zinc/46/55/22/600465522.db2.gz CWBAWRRMKJKNTK-UHFFFAOYSA-N -2 0 356.400 0.703 20 0 FCADRL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cnccc1C(=O)[O-] ZINC000738176495 600514517 /nfs/dbraw/zinc/51/45/17/600514517.db2.gz OKIFOSHYDCNYFH-UHFFFAOYSA-N -2 0 356.381 0.984 20 0 FCADRL COc1c(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)c(C)nn1C ZINC000737838785 600520577 /nfs/dbraw/zinc/52/05/77/600520577.db2.gz BXJWXUQCBXTKTQ-UHFFFAOYSA-N -2 0 367.383 0.695 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1C(=O)[O-] ZINC000737210533 600529697 /nfs/dbraw/zinc/52/96/97/600529697.db2.gz LRNGTCIVDVFJSC-UHFFFAOYSA-N -3 0 369.355 0.865 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)ccc1O ZINC000737679977 600530684 /nfs/dbraw/zinc/53/06/84/600530684.db2.gz FOXYQNRZHNMTPU-UHFFFAOYSA-N -2 0 355.328 0.261 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cncc(Br)c1 ZINC000739696204 674488012 /nfs/dbraw/zinc/48/80/12/674488012.db2.gz KRRZLEWIQKSWCW-UHFFFAOYSA-N -2 0 351.178 0.769 20 0 FCADRL CN(C)C(=O)Nc1cccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1 ZINC000737353086 600657876 /nfs/dbraw/zinc/65/78/76/600657876.db2.gz YCYLOOUDSUIZLO-UHFFFAOYSA-N -2 0 357.388 0.705 20 0 FCADRL COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000324857911 600670412 /nfs/dbraw/zinc/67/04/12/600670412.db2.gz LUJZDJVJJGPJSZ-UHFFFAOYSA-N -2 0 356.316 0.685 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)cn1 ZINC000324804408 600671710 /nfs/dbraw/zinc/67/17/10/600671710.db2.gz BANJGTDZQVHVOS-UHFFFAOYSA-N -2 0 368.396 0.813 20 0 FCADRL CCNS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000392224530 600673219 /nfs/dbraw/zinc/67/32/19/600673219.db2.gz WJTQDJDZHRNPOL-UHFFFAOYSA-N -2 0 373.412 0.812 20 0 FCADRL CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000324916732 600673617 /nfs/dbraw/zinc/67/36/17/600673617.db2.gz SYTWIXBRNRNYID-UHFFFAOYSA-N -2 0 352.372 0.470 20 0 FCADRL COc1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)ccc1NC(C)=O ZINC000392933117 600674200 /nfs/dbraw/zinc/67/42/00/600674200.db2.gz CXVOMSKQBYWVFH-UHFFFAOYSA-N -2 0 368.371 0.736 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)cn1 ZINC000739911602 600674568 /nfs/dbraw/zinc/67/45/68/600674568.db2.gz DYZKEAYIHREEIF-UHFFFAOYSA-N -2 0 364.383 0.895 20 0 FCADRL Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000326686195 600675365 /nfs/dbraw/zinc/67/53/65/600675365.db2.gz RHUPUHZLMXHICT-UHFFFAOYSA-N -2 0 366.399 0.779 20 0 FCADRL CCNC(=O)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000392191908 600675811 /nfs/dbraw/zinc/67/58/11/600675811.db2.gz UXWHNBYRJFLXDF-UHFFFAOYSA-N -2 0 352.372 0.518 20 0 FCADRL CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000327015976 600675932 /nfs/dbraw/zinc/67/59/32/600675932.db2.gz RQKMDJYCBPCOSK-UHFFFAOYSA-N -2 0 366.399 0.827 20 0 FCADRL O=C([O-])C[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)c2ccccc21 ZINC000833220473 600682672 /nfs/dbraw/zinc/68/26/72/600682672.db2.gz VSCWGLSNGJLMTH-SNVBAGLBSA-N -2 0 365.367 0.735 20 0 FCADRL Cn1cc(S(=O)(=O)NN=c2c(F)c(F)[n-]c(F)c2F)cc1C(=O)[O-] ZINC000729663097 600808292 /nfs/dbraw/zinc/80/82/92/600808292.db2.gz SSNYEXAQWCHADT-UHFFFAOYSA-N -2 0 368.268 0.980 20 0 FCADRL CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000825822738 600817494 /nfs/dbraw/zinc/81/74/94/600817494.db2.gz HHKYNXARQCDSTO-UHFFFAOYSA-N -2 0 352.372 0.751 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)Nc3nc(CC(=O)[O-])cs3)cc2=O)n1 ZINC000738231521 600941725 /nfs/dbraw/zinc/94/17/25/600941725.db2.gz SKYUXKDKBBUYJZ-UHFFFAOYSA-N -2 0 374.382 0.908 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2ccc(Br)cc2)n1 ZINC000833277314 600987584 /nfs/dbraw/zinc/98/75/84/600987584.db2.gz LSCQKTBXKXLXSO-UHFFFAOYSA-N -2 0 361.177 0.926 20 0 FCADRL C[C@H](NS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1)C(=O)[O-] ZINC000013027619 601132438 /nfs/dbraw/zinc/13/24/38/601132438.db2.gz RRXCWVKLTDLTQC-YFKPBYRVSA-N -2 0 352.162 0.899 20 0 FCADRL CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000825828626 601192470 /nfs/dbraw/zinc/19/24/70/601192470.db2.gz IUNUYKLJRZPYOV-CYBMUJFWSA-N -2 0 360.413 0.510 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n1 ZINC000831192380 601330612 /nfs/dbraw/zinc/33/06/12/601330612.db2.gz JYFIWQJJICTJQR-DAXSKMNVSA-N -2 0 365.367 0.955 20 0 FCADRL C[C@@H](CS(=O)(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000827569877 601616918 /nfs/dbraw/zinc/61/69/18/601616918.db2.gz BEOVNCRSUSTGMZ-ZETCQYMHSA-N -2 0 365.385 0.251 20 0 FCADRL O=C([O-])C[C@@H]1CN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CCO1 ZINC000833218731 601760261 /nfs/dbraw/zinc/76/02/61/601760261.db2.gz ZWUUYSIBQFMBFY-SNVBAGLBSA-N -2 0 363.395 0.387 20 0 FCADRL CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000828700631 601769639 /nfs/dbraw/zinc/76/96/39/601769639.db2.gz PKTDWLYSNAIRTG-NXEZZACHSA-N -2 0 366.461 0.245 20 0 FCADRL NC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000833083957 601829583 /nfs/dbraw/zinc/82/95/83/601829583.db2.gz RFABSIXRMCEERM-UHFFFAOYSA-N -2 0 358.763 0.521 20 0 FCADRL NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000833090156 601830366 /nfs/dbraw/zinc/83/03/66/601830366.db2.gz PQNORSBCCUFVIN-UHFFFAOYSA-N -2 0 363.398 0.290 20 0 FCADRL NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000833089210 601830403 /nfs/dbraw/zinc/83/04/03/601830403.db2.gz NKEDTUBSWZGECC-UHFFFAOYSA-N -2 0 363.398 0.290 20 0 FCADRL NC(=O)COc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000833082049 601833875 /nfs/dbraw/zinc/83/38/75/601833875.db2.gz UCLYHUYLBNKQDV-UHFFFAOYSA-N -2 0 357.369 0.506 20 0 FCADRL CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccn(CC(=O)[O-])n3)cc21 ZINC000828046078 601839930 /nfs/dbraw/zinc/83/99/30/601839930.db2.gz NJBWGDHXHCUHTJ-UHFFFAOYSA-N -2 0 364.383 0.998 20 0 FCADRL CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])ccn1 ZINC000830569189 601847820 /nfs/dbraw/zinc/84/78/20/601847820.db2.gz IBYXUOMJYOFOAG-UHFFFAOYSA-N -2 0 367.358 0.843 20 0 FCADRL CCCn1nc(C)c(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1C ZINC000829585287 601973679 /nfs/dbraw/zinc/97/36/79/601973679.db2.gz LNBAAFLLUOBKPL-UHFFFAOYSA-N -2 0 372.447 0.681 20 0 FCADRL CC(C)Oc1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)ccn1 ZINC000827039043 601973760 /nfs/dbraw/zinc/97/37/60/601973760.db2.gz ZPLJCBZXOBKBII-UHFFFAOYSA-N -2 0 371.415 0.640 20 0 FCADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000833346100 602155968 /nfs/dbraw/zinc/15/59/68/602155968.db2.gz FJABPGHQWWSZRK-UHFFFAOYSA-N -2 0 352.357 0.618 20 0 FCADRL C[C@H](Sc1ccccn1)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000827921590 602347370 /nfs/dbraw/zinc/34/73/70/602347370.db2.gz HFTZQMYJLMKRLQ-JTQLQIEISA-N -2 0 373.456 0.720 20 0 FCADRL O=C([O-])NCCC(=O)[N-]S(=O)(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000738656319 603073542 /nfs/dbraw/zinc/07/35/42/603073542.db2.gz DWWNFZXKPKAAML-UHFFFAOYSA-N -2 0 356.335 0.474 20 0 FCADRL O=C([O-])N1CCC[C@@H](NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000831567151 604005466 /nfs/dbraw/zinc/00/54/66/604005466.db2.gz CSIXAHAVLSJFKC-SNVBAGLBSA-N -2 0 362.411 0.944 20 0 FCADRL CC(C)[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-c2nnco2)c1 ZINC000833467347 604886935 /nfs/dbraw/zinc/88/69/35/604886935.db2.gz DMKFGWYKQVPNEZ-LLVKDONJSA-N -2 0 368.371 0.834 20 0 FCADRL CS(=O)(=O)[N-]c1nnc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)s1 ZINC000832703911 604941762 /nfs/dbraw/zinc/94/17/62/604941762.db2.gz KGAVUBCYABYKQN-UHFFFAOYSA-N -2 0 360.348 0.999 20 0 FCADRL CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)cn1C ZINC000833687061 605042059 /nfs/dbraw/zinc/04/20/59/605042059.db2.gz CDRJDALXDIZDAO-UHFFFAOYSA-N -2 0 354.388 0.564 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)ccc1OCCO ZINC000833747261 605169785 /nfs/dbraw/zinc/16/97/85/605169785.db2.gz UXKWAYXTJLZCJV-UHFFFAOYSA-N -2 0 355.372 0.448 20 0 FCADRL CN(CC(=O)[N-]S(=O)(=O)CCC(=O)OCc1ccccc1)C(=O)[O-] ZINC000828115753 605267069 /nfs/dbraw/zinc/26/70/69/605267069.db2.gz ZVPRVTKZBPYETP-UHFFFAOYSA-N -2 0 358.372 0.176 20 0 FCADRL CN(CC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC000828114658 605268059 /nfs/dbraw/zinc/26/80/59/605268059.db2.gz JOKBVGLAFVVMSS-VIFPVBQESA-N -2 0 365.408 0.052 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)n[nH]2)c(OC)c1C(=O)[O-] ZINC000833734440 605302616 /nfs/dbraw/zinc/30/26/16/605302616.db2.gz FAZUOYBLNZEJOT-UHFFFAOYSA-N -2 0 370.343 0.025 20 0 FCADRL CCc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(=O)OC)no1 ZINC000833675427 605305623 /nfs/dbraw/zinc/30/56/23/605305623.db2.gz OMJLPSNYQKSXKW-UHFFFAOYSA-N -2 0 355.328 0.918 20 0 FCADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nn[nH]n1 ZINC000822227627 606709099 /nfs/dbraw/zinc/70/90/99/606709099.db2.gz PTSTWWYMJWLDPW-UHFFFAOYSA-N -2 0 363.359 0.408 20 0 FCADRL CC(C)[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C(=O)[O-] ZINC000824198649 608011034 /nfs/dbraw/zinc/01/10/34/608011034.db2.gz CFBJFPJLHFIFIT-VIFPVBQESA-N -2 0 361.330 0.532 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]NC(=O)c2ccccn2)ccc1OCC(=O)[O-] ZINC000063476228 663139597 /nfs/dbraw/zinc/13/95/97/663139597.db2.gz YYGHOLYCCYPCJK-UHFFFAOYSA-N -2 0 365.367 0.477 20 0 FCADRL Cn1cnc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(=O)[O-])cc2)c1Cl ZINC000026532173 664299743 /nfs/dbraw/zinc/29/97/43/664299743.db2.gz HIFHWEMKCHSTLY-UHFFFAOYSA-N -2 0 372.790 0.689 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@H](C)CCC(=O)[O-])c1 ZINC000262076486 664988473 /nfs/dbraw/zinc/98/84/73/664988473.db2.gz AZBLMFXUHPPLPG-SECBINFHSA-N -2 0 371.415 1.000 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cn1 ZINC000324488457 665134004 /nfs/dbraw/zinc/13/40/04/665134004.db2.gz NVYHEVYMNKQXGJ-UHFFFAOYSA-N -2 0 372.790 0.782 20 0 FCADRL COc1cc[nH]c(=NNS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC000914688732 666792011 /nfs/dbraw/zinc/79/20/11/666792011.db2.gz FVACNLUWEQVKDO-UHFFFAOYSA-N -2 0 368.327 0.187 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)cc2[n-]c1=S ZINC000733724898 666932412 /nfs/dbraw/zinc/93/24/12/666932412.db2.gz YKZLPDLORIAUCK-VIFPVBQESA-N -2 0 369.424 0.071 20 0 FCADRL CCn1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(C(N)=O)n1 ZINC000788130154 667974297 /nfs/dbraw/zinc/97/42/97/667974297.db2.gz DEDNGUIOOCJCNW-UHFFFAOYSA-N -2 0 356.335 0.640 20 0 FCADRL CCCn1cc([N-]S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)cn1 ZINC000743264654 668046344 /nfs/dbraw/zinc/04/63/44/668046344.db2.gz WQXIZKAWCCMIPU-UHFFFAOYSA-N -2 0 366.399 0.908 20 0 FCADRL COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000776445502 668263345 /nfs/dbraw/zinc/26/33/45/668263345.db2.gz YESVQMAANBUPDU-IBHLPDHGSA-N -2 0 357.340 0.079 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccc3nonc32)C[C@@H]1C(=O)[O-] ZINC000776719522 668290181 /nfs/dbraw/zinc/29/01/81/668290181.db2.gz XIIBGWAEAUPETH-SFYZADRCSA-N -2 0 355.328 0.019 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccc3c2COC3=O)C[C@H]1C(=O)[O-] ZINC000776718321 668290322 /nfs/dbraw/zinc/29/03/22/668290322.db2.gz NRKXBLADVYANDN-PSASIEDQSA-N -2 0 369.351 0.153 20 0 FCADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000772201323 668293035 /nfs/dbraw/zinc/29/30/35/668293035.db2.gz MYYPFVANFZGOHU-DVVUODLYSA-N -2 0 355.334 0.913 20 0 FCADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000772201327 668293108 /nfs/dbraw/zinc/29/31/08/668293108.db2.gz MYYPFVANFZGOHU-IEBDPFPHSA-N -2 0 355.334 0.913 20 0 FCADRL COC(=O)CCCO[N-]C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000811558105 669759564 /nfs/dbraw/zinc/75/95/64/669759564.db2.gz IWUGHKHTIHORRV-UHFFFAOYSA-N -2 0 366.342 0.244 20 0 FCADRL CN1C(=O)CN([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2O)C1=O ZINC000831063481 669824470 /nfs/dbraw/zinc/82/44/70/669824470.db2.gz OAKHYLAHNHYHHE-UHFFFAOYSA-N -2 0 353.278 0.498 20 0 FCADRL CO[C@H]1COCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000840891698 670524064 /nfs/dbraw/zinc/52/40/64/670524064.db2.gz ZOKQIUOTEVTLMW-PELKAZGASA-N -2 0 365.354 0.993 20 0 FCADRL O=C([O-])CCCCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000843326217 670797913 /nfs/dbraw/zinc/79/79/13/670797913.db2.gz ZXPDJOUQZMJQFN-UHFFFAOYSA-N -2 0 350.343 0.614 20 0 FCADRL CCO[N-]C(=O)CNC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000847389671 671188717 /nfs/dbraw/zinc/18/87/17/671188717.db2.gz SBVQBXPCYRBJSD-RKDXNWHRSA-N -2 0 354.329 0.295 20 0 FCADRL CCn1nccc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851703111 671461641 /nfs/dbraw/zinc/46/16/41/671461641.db2.gz NYYTUPNZBIJQTR-PSASIEDQSA-N -2 0 362.308 0.639 20 0 FCADRL CC(C)(C)OC(=O)NCc1nc(C(=O)[N-]n2c(=O)[n-][nH]c2=O)cs1 ZINC000854610704 671589197 /nfs/dbraw/zinc/58/91/97/671589197.db2.gz LENBEZLDZKLENS-UHFFFAOYSA-N -2 0 356.364 0.554 20 0 FCADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C ZINC000863953234 672164209 /nfs/dbraw/zinc/16/42/09/672164209.db2.gz MHUMFSDCNKPSAA-UHFFFAOYSA-N -2 0 371.415 0.479 20 0 FCADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000863952982 672164247 /nfs/dbraw/zinc/16/42/47/672164247.db2.gz LEOQIMRWLBBFKT-UHFFFAOYSA-N -2 0 367.383 0.619 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000863953748 672164610 /nfs/dbraw/zinc/16/46/10/672164610.db2.gz XLUVINQUVHGORA-WDEREUQCSA-N -2 0 366.395 0.877 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1C(N)=O ZINC000863954796 672165222 /nfs/dbraw/zinc/16/52/22/672165222.db2.gz NBGNNTWWTHDOHT-ZJUUUORDSA-N -2 0 354.384 0.400 20 0 FCADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000863956057 672165843 /nfs/dbraw/zinc/16/58/43/672165843.db2.gz IATDEGQAACNGML-OAHLLOKOSA-N -2 0 357.432 0.851 20 0 FCADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000863956209 672165918 /nfs/dbraw/zinc/16/59/18/672165918.db2.gz KSYALYRSONUICY-ZJUUUORDSA-N -2 0 357.432 0.851 20 0 FCADRL Cc1ccnc(-n2cc(S(=O)(=O)[N-]C(=O)C3(C(=O)[O-])CCC3)cn2)c1 ZINC000863956152 672165938 /nfs/dbraw/zinc/16/59/38/672165938.db2.gz JTQWKORFWVOOSE-UHFFFAOYSA-N -2 0 364.383 0.636 20 0 FCADRL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])c1F ZINC000863959330 672167417 /nfs/dbraw/zinc/16/74/17/672167417.db2.gz ANTKVYUMMPCSEV-UHFFFAOYSA-N -2 0 351.283 0.421 20 0 FCADRL O=C([O-])CC1(C(=O)[N-]S(=O)(=O)c2ccc3n[nH]nc3c2)CCOCC1 ZINC000863961578 672168618 /nfs/dbraw/zinc/16/86/18/672168618.db2.gz NJKSYLJQFFFRRO-UHFFFAOYSA-N -2 0 368.371 0.034 20 0 FCADRL COCCOc1cccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)c1 ZINC000863961284 672168640 /nfs/dbraw/zinc/16/86/40/672168640.db2.gz KAUQRZCPBGNJKD-UHFFFAOYSA-N -2 0 369.395 0.938 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000863963817 672170129 /nfs/dbraw/zinc/17/01/29/672170129.db2.gz HWNRLSXXAAHSCQ-SSDOTTSWSA-N -2 0 357.310 0.601 20 0 FCADRL CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2cc(C)cc(C(=O)[O-])c2)CC1 ZINC000863965561 672171143 /nfs/dbraw/zinc/17/11/43/672171143.db2.gz IRXPQFFPFFPLHE-UHFFFAOYSA-N -2 0 368.411 0.764 20 0 FCADRL O=Cc1ccc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])[nH]1 ZINC000874967906 672811415 /nfs/dbraw/zinc/81/14/15/672811415.db2.gz CRXNHPUNDBZEJT-SCZZXKLOSA-N -2 0 361.276 0.564 20 0 FCADRL O=Cc1c[nH]c(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000874968776 672811473 /nfs/dbraw/zinc/81/14/73/672811473.db2.gz SHOBEPKOLWKTGY-SCZZXKLOSA-N -2 0 361.276 0.564 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000194315648 1183215206 /nfs/dbraw/zinc/21/52/06/1183215206.db2.gz LZQQHXPGRULXAT-JTQLQIEISA-N -2 0 372.307 0.597 20 0 FCADRL CCOC(=O)Cn1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)n1 ZINC000594166428 1196695336 /nfs/dbraw/zinc/69/53/36/1196695336.db2.gz VOXONUIRSPEGGT-UHFFFAOYSA-N -2 0 372.341 0.756 20 0 FCADRL Cc1ccc(-n2[n-]c(C(=O)N3CCO[C@@H](c4nnn[n-]4)C3)cc2=O)cc1 ZINC000746236621 1198974365 /nfs/dbraw/zinc/97/43/65/1198974365.db2.gz JZGJCSOKWMFTIO-CYBMUJFWSA-N -2 0 355.358 0.201 20 0 FCADRL Cc1ccc(-n2[n-]c(C(=O)N3CCO[C@H](c4nnn[n-]4)C3)cc2=O)cc1 ZINC000746236622 1198974622 /nfs/dbraw/zinc/97/46/22/1198974622.db2.gz JZGJCSOKWMFTIO-ZDUSSCGKSA-N -2 0 355.358 0.201 20 0 FCADRL O=C([N-]Cc1ccncn1)C(F)(F)C(F)(F)C(=O)[N-]Cc1ccncn1 ZINC000820639252 1203189996 /nfs/dbraw/zinc/18/99/96/1203189996.db2.gz YJZJNIMKZPJCFG-UHFFFAOYSA-N -2 0 372.282 0.470 20 0 FCADRL COC(=O)/C=C/c1ccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001223033570 1225675027 /nfs/dbraw/zinc/67/50/27/1225675027.db2.gz ZBXUPZRZJZTXCS-LWAQFNMXSA-N -2 0 366.322 0.452 20 0 FCADRL Cc1nc(-c2ccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc2)no1 ZINC001223460965 1225706880 /nfs/dbraw/zinc/70/68/80/1225706880.db2.gz KRXMCDYIRXFDPB-YPMHNXCESA-N -2 0 364.310 0.625 20 0 FCADRL O=C([O-])C[C@H](C(=O)OCc1ccc(C(=O)NC2CC2)cc1)[C@H](O)C(=O)[O-] ZINC001223824789 1225738778 /nfs/dbraw/zinc/73/87/78/1225738778.db2.gz VCFVDURDZDQBSG-JSGCOSHPSA-N -2 0 365.338 0.158 20 0 FCADRL COC(=O)c1ccc(OC)c(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001223970809 1225749705 /nfs/dbraw/zinc/74/97/05/1225749705.db2.gz VYCSBOAWQUYFHE-GWCFXTLKSA-N -2 0 370.310 0.061 20 0 FCADRL COC(=O)[C@H](Cc1ccccc1)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c12 ZINC001226887753 1225856967 /nfs/dbraw/zinc/85/69/67/1225856967.db2.gz JWMODYDIUZEOQY-VIFPVBQESA-N -2 0 358.310 0.700 20 0 FCADRL CCOC(=O)/C=C/c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001230414036 1226082217 /nfs/dbraw/zinc/08/22/17/1226082217.db2.gz GUBQMSLGOTYQKV-HZYUJGRASA-N -2 0 366.322 0.705 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(C(=O)c2ccncc2)cc1)[C@@H](O)C(=O)[O-] ZINC001231023575 1226095022 /nfs/dbraw/zinc/09/50/22/1226095022.db2.gz GORIZIABYDCHET-XJKSGUPXSA-N -2 0 373.317 0.754 20 0 FCADRL COC(=O)C1(c2cccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2)CC1 ZINC001231154442 1226101402 /nfs/dbraw/zinc/10/14/02/1226101402.db2.gz GIVAJSWZDAKMIL-WCQYABFASA-N -2 0 366.322 0.333 20 0 FCADRL CCOC(=O)c1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n(C(C)C)n1 ZINC001234120393 1259557074 /nfs/dbraw/zinc/55/70/74/1259557074.db2.gz SRVGTVXNBMABCG-PELKAZGASA-N -2 0 372.330 0.083 20 0 FCADRL COC(=O)CCc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1F ZINC001234898358 1259564701 /nfs/dbraw/zinc/56/47/01/1259564701.db2.gz FYWUDYVYZGUEIC-QMTHXVAHSA-N -2 0 372.301 0.373 20 0 FCADRL COc1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc2oc(=O)ccc12 ZINC001234769674 1259564798 /nfs/dbraw/zinc/56/47/98/1259564798.db2.gz KNFLGAMBDPPURJ-OTYXRUKQSA-N -2 0 366.278 0.243 20 0 FCADRL C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)c1ncccc1O ZINC001580426812 1278290000 /nfs/dbraw/zinc/29/00/00/1278290000.db2.gz ZQYKJUSZTGQZOV-MRVPVSSYSA-N -2 0 358.337 0.732 20 0 FCADRL CCC[C@](C)(NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C(=O)OC ZINC001577253402 1274284367 /nfs/dbraw/zinc/28/43/67/1274284367.db2.gz DGGUVWQZBVDKKJ-HNNXBMFYSA-N -2 0 360.378 0.436 20 0 FCADRL CCOC(=O)C1(NCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCCC1 ZINC001578244360 1275546648 /nfs/dbraw/zinc/54/66/48/1275546648.db2.gz VCAZZUHMCBSPDM-UHFFFAOYSA-N -2 0 372.389 0.581 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)C1CCN(CC(F)F)CC1 ZINC001603186763 1287324331 /nfs/dbraw/zinc/32/43/31/1287324331.db2.gz BCSMVBHAVCGTAX-RKDXNWHRSA-N -2 0 356.391 0.519 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001603186877 1287325509 /nfs/dbraw/zinc/32/55/09/1287325509.db2.gz CTRICQVFMSBQGE-HTQZYQBOSA-N -2 0 356.356 0.186 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC001603203783 1287328936 /nfs/dbraw/zinc/32/89/36/1287328936.db2.gz CURZQEGCICABQS-ZETCQYMHSA-N -2 0 359.310 0.683 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC001603201699 1287329206 /nfs/dbraw/zinc/32/92/06/1287329206.db2.gz KHFIDUPRWRVMLC-BXUZGUMPSA-N -2 0 371.411 0.842 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001603201973 1287329424 /nfs/dbraw/zinc/32/94/24/1287329424.db2.gz QMXUKFJFXNIUHO-RNFRBKRXSA-N -2 0 374.362 0.454 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001603201971 1287329435 /nfs/dbraw/zinc/32/94/35/1287329435.db2.gz QMXUKFJFXNIUHO-BQBZGAKWSA-N -2 0 374.362 0.454 20 0 FCADRL CC(C)(C)OC(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001603433430 1287370769 /nfs/dbraw/zinc/37/07/69/1287370769.db2.gz KTBXZACDAQLLLV-KKZNHRDASA-N -2 0 362.404 0.163 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1cc(F)cc2nccnc21)C(=O)[O-] ZINC001603659605 1287459689 /nfs/dbraw/zinc/45/96/89/1287459689.db2.gz CHHXCVYTFLBQAM-UHFFFAOYSA-N -2 0 355.347 0.939 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccs1)C(=O)[O-] ZINC001603659597 1287460096 /nfs/dbraw/zinc/46/00/96/1287460096.db2.gz BXEYVKGBZVHJTR-UHFFFAOYSA-N -2 0 362.429 0.425 20 0 FCADRL O=C(NCCN(c1ccc(-c2nn[nH]n2)nn1)C1CC1)c1ncccc1O ZINC001582515396 1281700110 /nfs/dbraw/zinc/70/01/10/1281700110.db2.gz ORZLNJGJYFMYLP-UHFFFAOYSA-N -2 0 367.373 0.156 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)cc1=O ZINC001603852866 1287520620 /nfs/dbraw/zinc/52/06/20/1287520620.db2.gz JTAWBFDLVVWBDI-UHFFFAOYSA-N -2 0 374.397 0.828 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)cc1=O ZINC001634120552 1282301531 /nfs/dbraw/zinc/30/15/31/1282301531.db2.gz GBRXAXRMECJIBB-UHFFFAOYSA-N -2 0 357.374 0.695 20 0 FCADRL C[C@H](C1CCCCC1)N(CC(=O)[O-])S(=O)(=O)N(C)CCC(=O)[O-] ZINC001604050529 1287563514 /nfs/dbraw/zinc/56/35/14/1287563514.db2.gz QBBGSFREFPDHSS-LLVKDONJSA-N -2 0 350.437 0.993 20 0 FCADRL O=C(c1nc[n-]c(=O)c1Br)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001635138885 1282383647 /nfs/dbraw/zinc/38/36/47/1282383647.db2.gz VIXNEDTYMVDVSR-ZCFIWIBFSA-N -2 0 369.179 0.788 20 0 FCADRL CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001590489326 1283561960 /nfs/dbraw/zinc/56/19/60/1283561960.db2.gz NCDXZRLSKIAZOI-LBPRGKRZSA-N -2 0 357.417 0.804 20 0 FCADRL CN([C@H](C(=O)[O-])c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590997791 1284050475 /nfs/dbraw/zinc/05/04/75/1284050475.db2.gz BRKQJLYBISISAE-LBPRGKRZSA-N -2 0 363.355 0.906 20 0 FCADRL COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591284770 1284442059 /nfs/dbraw/zinc/44/20/59/1284442059.db2.gz VXIHKXYUGVKKSC-UHFFFAOYSA-N -2 0 352.332 0.684 20 0 FCADRL COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[nH]n2)c1 ZINC001591374993 1284511247 /nfs/dbraw/zinc/51/12/47/1284511247.db2.gz INBIJIORDFOMID-TVYUQYBPSA-N -2 0 365.415 0.451 20 0 FCADRL COCCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001591407621 1284549506 /nfs/dbraw/zinc/54/95/06/1284549506.db2.gz NOXKDBZKPMGBQJ-UHFFFAOYSA-N -2 0 357.367 0.378 20 0 FCADRL COCc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)cc1 ZINC001591456550 1284618524 /nfs/dbraw/zinc/61/85/24/1284618524.db2.gz RSBRNQCJDYZQHJ-UHFFFAOYSA-N -2 0 374.382 0.527 20 0 FCADRL COc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CC[C@@H](CC(=O)[O-])C1 ZINC001591506613 1284693333 /nfs/dbraw/zinc/69/33/33/1284693333.db2.gz QKGOPJVBVJGVSA-VIFPVBQESA-N -2 0 367.387 0.361 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)Cc2ccccc2C(=O)[O-])[C@H](C(=O)[O-])[C@@H](C)O1 ZINC001604802565 1287786006 /nfs/dbraw/zinc/78/60/06/1287786006.db2.gz HJCVPBMMSHCJAQ-BREBYQMCSA-N -2 0 357.384 0.777 20 0 FCADRL O=C(COc1ccccc1-c1nn[nH]n1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001592896387 1285800353 /nfs/dbraw/zinc/80/03/53/1285800353.db2.gz PZMNPWRXGPBSHK-SNVBAGLBSA-N -2 0 370.373 0.475 20 0 FCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)CCC1 ZINC001593274844 1286058419 /nfs/dbraw/zinc/05/84/19/1286058419.db2.gz ATMCDOYEUPUSCM-UHFFFAOYSA-N -2 0 365.371 0.068 20 0 FCADRL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC001593279171 1286061723 /nfs/dbraw/zinc/06/17/23/1286061723.db2.gz VKVYAOYJKSLNMW-LJGSYFOKSA-N -2 0 359.314 0.286 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC001599997347 1286419852 /nfs/dbraw/zinc/41/98/52/1286419852.db2.gz UJJJCJIODGUZMJ-MLGOLLRUSA-N -2 0 369.395 0.805 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC001599997346 1286420202 /nfs/dbraw/zinc/42/02/02/1286420202.db2.gz UJJJCJIODGUZMJ-LRDDRELGSA-N -2 0 369.395 0.805 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cnn1CC(=O)[O-] ZINC001600054587 1286432952 /nfs/dbraw/zinc/43/29/52/1286432952.db2.gz KVVGNXZNMPFLNX-UHFFFAOYSA-N -2 0 362.367 0.918 20 0 FCADRL Cc1cc(C(=O)N2CCSC[C@H]2C(=O)[O-])[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001600085690 1286438527 /nfs/dbraw/zinc/43/85/27/1286438527.db2.gz MPHBSIHJTBTYKZ-QMMMGPOBSA-N -2 0 350.356 0.387 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccnn2C)c1C ZINC001600111773 1286442690 /nfs/dbraw/zinc/44/26/90/1286442690.db2.gz LXVYJLJNSKUBSL-CYBMUJFWSA-N -2 0 367.383 0.839 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)c1F ZINC001600111614 1286442856 /nfs/dbraw/zinc/44/28/56/1286442856.db2.gz IELIGRHMVALPJU-LBPRGKRZSA-N -2 0 371.346 0.670 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)Cc2cn(C)nc2Cl)oc1C(=O)[O-] ZINC001600297697 1286471368 /nfs/dbraw/zinc/47/13/68/1286471368.db2.gz RLZYVVOSELNSNI-UHFFFAOYSA-N -2 0 361.763 0.721 20 0 FCADRL Cc1c([C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)C(=O)[O-])cnn1C ZINC001600297051 1286471875 /nfs/dbraw/zinc/47/18/75/1286471875.db2.gz JFKHDTLDAYIHKQ-CYBMUJFWSA-N -2 0 367.383 0.839 20 0 FCADRL Cc1cc2ncc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c(C)n2n1 ZINC001600310085 1286475779 /nfs/dbraw/zinc/47/57/79/1286475779.db2.gz FGSKSXAJKWQITK-UHFFFAOYSA-N -2 0 354.388 0.517 20 0 FCADRL Cc1ccc(-n2cnnn2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001600323266 1286478011 /nfs/dbraw/zinc/47/80/11/1286478011.db2.gz OVGAVFDCIKAUDY-UHFFFAOYSA-N -2 0 360.355 0.865 20 0 FCADRL Cc1ccc(-n2[n-]c(C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)[O-])cc2=O)cc1 ZINC001600321870 1286478022 /nfs/dbraw/zinc/47/80/22/1286478022.db2.gz WNQUKELHUQGQKF-AWEZNQCLSA-N -2 0 355.354 0.623 20 0 FCADRL Cc1ccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])CC2=O)cc1F ZINC001600436183 1286485136 /nfs/dbraw/zinc/48/51/36/1286485136.db2.gz USRYVEFVAMEQSI-ZJUUUORDSA-N -2 0 372.374 0.406 20 0 FCADRL Cc1ccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])CC2=O)cc1 ZINC001600435492 1286485486 /nfs/dbraw/zinc/48/54/86/1286485486.db2.gz QFSMPMRWVKIAOK-QWRGUYRKSA-N -2 0 354.384 0.267 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c(C(=O)[O-])c1 ZINC001600475961 1286492316 /nfs/dbraw/zinc/49/23/16/1286492316.db2.gz RBZVAGRNDKFJGG-MWLCHTKSSA-N -3 0 371.367 0.489 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600476441 1286492694 /nfs/dbraw/zinc/49/26/94/1286492694.db2.gz MIWQGTVLJVALJN-GWCFXTLKSA-N -2 0 357.384 0.539 20 0 FCADRL Cc1cnn(C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)C(=O)[O-])c1 ZINC001600636666 1286518091 /nfs/dbraw/zinc/51/80/91/1286518091.db2.gz KTCJZSPYJMLCQG-LLVKDONJSA-N -2 0 371.346 0.461 20 0 FCADRL Cc1nc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])nn1-c1ccccc1 ZINC001600684842 1286527003 /nfs/dbraw/zinc/52/70/03/1286527003.db2.gz AKODRPUAXRSZMM-NXEZZACHSA-N -2 0 366.399 0.745 20 0 FCADRL Cc1nc(S(=O)(=O)[N-][C@@](C)(CO)C(=O)[O-])sc1Br ZINC001600719622 1286532093 /nfs/dbraw/zinc/53/20/93/1286532093.db2.gz UHLWUWRJRFZINY-QMMMGPOBSA-N -2 0 359.223 0.328 20 0 FCADRL Cc1ncc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)cc1C(=O)[O-] ZINC001600747161 1286536426 /nfs/dbraw/zinc/53/64/26/1286536426.db2.gz JOJIXASARUKJEL-UHFFFAOYSA-N -2 0 365.367 0.820 20 0 FCADRL Cc1nn(C)cc1CCC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001600778183 1286542624 /nfs/dbraw/zinc/54/26/24/1286542624.db2.gz ACLIPIMOAROKTB-UHFFFAOYSA-N -2 0 358.401 0.321 20 0 FCADRL Cc1oc(CN(C)C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600841452 1286554940 /nfs/dbraw/zinc/55/49/40/1286554940.db2.gz YTDRRKDNWBGBJC-NOZJJQNGSA-N -2 0 366.370 0.814 20 0 FCADRL Cn1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c(-c2ccncc2)n1 ZINC001600932171 1286572807 /nfs/dbraw/zinc/57/28/07/1286572807.db2.gz LOEBOBXOQVPRJK-UHFFFAOYSA-N -2 0 366.399 0.653 20 0 FCADRL Cn1cc([C@@H]2C[C@H]2C(=O)[N-]S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cn1 ZINC001600969701 1286586153 /nfs/dbraw/zinc/58/61/53/1286586153.db2.gz NAJJCJHAFWQYPI-QWHCGFSZSA-N -2 0 364.383 0.695 20 0 FCADRL Cn1[n-]c(C(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])cc1=O ZINC001600999407 1286594326 /nfs/dbraw/zinc/59/43/26/1286594326.db2.gz FBDPIEFLSPCMAF-NSHDSACASA-N -2 0 368.390 0.662 20 0 FCADRL Cn1nnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2Br)n1 ZINC001601041190 1286619279 /nfs/dbraw/zinc/61/92/79/1286619279.db2.gz VTLPZUPEPJEHEH-UHFFFAOYSA-N -2 0 362.165 0.472 20 0 FCADRL NC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001601154661 1286661631 /nfs/dbraw/zinc/66/16/31/1286661631.db2.gz RIPHGFHXKFFXKY-GFCCVEGCSA-N -2 0 369.399 0.122 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001601200132 1286695865 /nfs/dbraw/zinc/69/58/65/1286695865.db2.gz WESGULRZSMYRCT-LBPRGKRZSA-N -2 0 362.363 0.868 20 0 FCADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C(=O)/C=C/c2ccncn2)c1F ZINC001601242858 1286706258 /nfs/dbraw/zinc/70/62/58/1286706258.db2.gz GNTJHBWIYQUIHX-DAFODLJHSA-N -2 0 369.305 0.971 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)CN2CCc3ccccc32)CC1 ZINC001601320046 1286726440 /nfs/dbraw/zinc/72/64/40/1286726440.db2.gz MYTOQZIPMQGCBM-UHFFFAOYSA-N -2 0 367.427 0.207 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]C(=O)COCCOc2ccccc2)c1 ZINC001601337552 1286731050 /nfs/dbraw/zinc/73/10/50/1286731050.db2.gz BJKKJKWCWIOSJW-UHFFFAOYSA-N -2 0 369.351 0.878 20 0 FCADRL O=C([O-])c1cnn(CC(=O)[N-]S(=O)(=O)CCc2cccc(Cl)c2)c1 ZINC001601379511 1286736270 /nfs/dbraw/zinc/73/62/70/1286736270.db2.gz VSVHZTIENBJTEM-UHFFFAOYSA-N -2 0 371.802 0.923 20 0 FCADRL O=C([O-])c1cnn(CC(=O)[N-]S(=O)(=O)N2CCCc3ccccc32)c1 ZINC001601379385 1286736341 /nfs/dbraw/zinc/73/63/41/1286736341.db2.gz NADCINUYAMCVIR-UHFFFAOYSA-N -2 0 364.383 0.395 20 0 FCADRL O=C([O-])c1ccc2c(c1)CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)CC2 ZINC001601450587 1286754467 /nfs/dbraw/zinc/75/44/67/1286754467.db2.gz OLBPBWFMYFPFOE-OAHLLOKOSA-N -2 0 374.393 0.887 20 0 FCADRL O=C([O-])[C@@H](CC1OCCO1)[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001601646596 1286799091 /nfs/dbraw/zinc/79/90/91/1286799091.db2.gz WAVWIWNQVDBSRW-SSDOTTSWSA-N -2 0 366.779 0.700 20 0 FCADRL O=C([O-])/C=C\CNS(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001601871759 1286859628 /nfs/dbraw/zinc/85/96/28/1286859628.db2.gz ZWCWIQDDIBFORF-UPHRSURJSA-N -2 0 354.134 0.659 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC001601914659 1286871262 /nfs/dbraw/zinc/87/12/62/1286871262.db2.gz HIYHGLULYQLJBY-GFCCVEGCSA-N -3 0 363.369 0.386 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC001601999335 1286893601 /nfs/dbraw/zinc/89/36/01/1286893601.db2.gz UQZMUAYODIZYQN-UHFFFAOYSA-N -2 0 374.390 0.587 20 0 FCADRL O=C([O-])CCCS(=O)(=O)N[C@H](Cc1ccc2c(c1)OCO2)C(=O)[O-] ZINC001601998987 1286893754 /nfs/dbraw/zinc/89/37/54/1286893754.db2.gz DMPSFRZRWDGJDM-SNVBAGLBSA-N -2 0 359.356 0.195 20 0 FCADRL O=C([O-])CCOc1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC001602025522 1286907693 /nfs/dbraw/zinc/90/76/93/1286907693.db2.gz QBUQJNSUMXKNBE-JTQLQIEISA-N -2 0 350.327 0.412 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC001602028611 1286908332 /nfs/dbraw/zinc/90/83/32/1286908332.db2.gz WUMXKQKYBSSTEE-LBPRGKRZSA-N -2 0 370.383 0.338 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)C2CC2)cc1 ZINC001602027683 1286909108 /nfs/dbraw/zinc/90/91/08/1286909108.db2.gz JOCASFGPVXKEPT-UHFFFAOYSA-N -2 0 361.397 0.157 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)Cc1cccc(N2CCCC2=O)c1 ZINC001602027610 1286909141 /nfs/dbraw/zinc/90/91/41/1286909141.db2.gz GYHPLFVSHSZZJZ-UHFFFAOYSA-N -2 0 354.384 0.277 20 0 FCADRL O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)CSc1n[n-]c(=S)s1 ZINC001602065005 1286919369 /nfs/dbraw/zinc/91/93/69/1286919369.db2.gz FHLJBTCXTPNQQG-ZCFIWIBFSA-N -2 0 362.458 0.111 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC001602096834 1286933695 /nfs/dbraw/zinc/93/36/95/1286933695.db2.gz HDXQGMAULVNEOM-UHFFFAOYSA-N -2 0 356.331 0.944 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)CCC(=O)c1ccc2c(c1)OCCCO2 ZINC001602096631 1286934028 /nfs/dbraw/zinc/93/40/28/1286934028.db2.gz BNMZZNMQARKRJO-UHFFFAOYSA-N -2 0 371.367 0.341 20 0 FCADRL O=C([O-])COc1cccc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)c1 ZINC001602094389 1286934068 /nfs/dbraw/zinc/93/40/68/1286934068.db2.gz XCQOEJNLKPPIDR-ZDUSSCGKSA-N -2 0 364.354 0.706 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)[O-])s1 ZINC001602131840 1286944643 /nfs/dbraw/zinc/94/46/43/1286944643.db2.gz PSYFOABWQMDGNI-PSASIEDQSA-N -2 0 363.413 0.533 20 0 FCADRL O=C([O-])Cc1cccc(S(=O)(=O)N2CCc3onc(C(=O)[O-])c3C2)c1 ZINC001602142165 1286947135 /nfs/dbraw/zinc/94/71/35/1286947135.db2.gz OQVPPZVOBCLNPJ-UHFFFAOYSA-N -2 0 366.351 0.747 20 0 FCADRL O=C([O-])Cc1ccccc1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001602146861 1286947902 /nfs/dbraw/zinc/94/79/02/1286947902.db2.gz JSFLGZQYVWWRAF-UHFFFAOYSA-N -2 0 356.400 0.445 20 0 FCADRL O=C([O-])Cc1ccccc1CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001602146247 1286948681 /nfs/dbraw/zinc/94/86/81/1286948681.db2.gz DYXVRXSCDRSYCJ-UHFFFAOYSA-N -2 0 368.349 0.823 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cn1 ZINC001602163814 1286954517 /nfs/dbraw/zinc/95/45/17/1286954517.db2.gz QCBSWJPSLMUVOP-WCQGTBRESA-N -2 0 357.388 0.374 20 0 FCADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]N2CCCNC2=O)c1F ZINC001602264089 1286976078 /nfs/dbraw/zinc/97/60/78/1286976078.db2.gz IQSYSOKWOCJSMR-UHFFFAOYSA-N -2 0 351.743 0.786 20 0 FCADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c1F ZINC001602263980 1286977018 /nfs/dbraw/zinc/97/70/18/1286977018.db2.gz BOSAHUHOHSXLOR-SSDOTTSWSA-N -2 0 355.727 0.291 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])c(Br)o1 ZINC001602290805 1286982628 /nfs/dbraw/zinc/98/26/28/1286982628.db2.gz TYIGKNNGFSRQHP-YFKPBYRVSA-N -2 0 368.161 0.978 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]([C@@H]2CCCO2)C2(CO)CCC2)on1 ZINC001602292682 1286983316 /nfs/dbraw/zinc/98/33/16/1286983316.db2.gz CHNPCGUMCXUKSD-CMPLNLGQSA-N -2 0 360.388 0.361 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3)C2=O)on1 ZINC001602292978 1286983964 /nfs/dbraw/zinc/98/39/64/1286983964.db2.gz CYFRKAWLXCYOKA-SNVBAGLBSA-N -2 0 351.340 0.457 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2COc3c(F)cc(F)cc3C2)on1 ZINC001602292889 1286984053 /nfs/dbraw/zinc/98/40/53/1286984053.db2.gz AMRGDZAHMSFQPB-QMMMGPOBSA-N -2 0 360.294 0.933 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CCN2C(=O)Cc3ccccc32)on1 ZINC001602296074 1286986191 /nfs/dbraw/zinc/98/61/91/1286986191.db2.gz MIQUXMQPCLKCKV-UHFFFAOYSA-N -2 0 351.340 0.240 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CC2CCN(CC(F)(F)F)CC2)on1 ZINC001602295668 1286986663 /nfs/dbraw/zinc/98/66/63/1286986663.db2.gz BJTRRJXEJPCEOI-UHFFFAOYSA-N -2 0 371.337 0.925 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CCc2csc(N3CCCC3)n2)on1 ZINC001602295048 1286986790 /nfs/dbraw/zinc/98/67/90/1286986790.db2.gz IOWHQHYCJRTFTR-UHFFFAOYSA-N -2 0 372.428 0.951 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2Cc3cc(O)ccc3C[C@@H]2C(=O)[O-])o1 ZINC001602396035 1286994425 /nfs/dbraw/zinc/99/44/25/1286994425.db2.gz MBRYJUVCNGUKFM-LLVKDONJSA-N -2 0 367.335 0.884 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)c1 ZINC001602438876 1287001415 /nfs/dbraw/zinc/00/14/15/1287001415.db2.gz ARSYCFRUXVJZGU-UHFFFAOYSA-N -3 0 353.352 0.752 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)c1 ZINC001602439097 1287001429 /nfs/dbraw/zinc/00/14/29/1287001429.db2.gz NOFWOOBOBMXLMT-QWHCGFSZSA-N -2 0 357.384 0.372 20 0 FCADRL O=C([O-])c1cccc(CC(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1 ZINC001602434421 1287001656 /nfs/dbraw/zinc/00/16/56/1287001656.db2.gz NLQPXTQECVJMIG-CQSZACIVSA-N -2 0 374.393 0.851 20 0 FCADRL O=C([O-])c1cnc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cn1 ZINC001602508981 1287019883 /nfs/dbraw/zinc/01/98/83/1287019883.db2.gz IQYXZRQMOJMHFQ-UHFFFAOYSA-N -2 0 363.351 0.619 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]C(=O)c2coc(C3CCOCC3)n2)c1 ZINC001602556925 1287025256 /nfs/dbraw/zinc/02/52/56/1287025256.db2.gz LUWKNKNHQWBRCP-UHFFFAOYSA-N -2 0 370.339 0.979 20 0 FCADRL O=C([O-])c1ncoc1COCC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC001602582848 1287030363 /nfs/dbraw/zinc/03/03/63/1287030363.db2.gz WNYXYUJTCUAWHH-UHFFFAOYSA-N -2 0 365.264 0.026 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001602583045 1287031037 /nfs/dbraw/zinc/03/10/37/1287031037.db2.gz IZBPQQWYPPIFOP-ZCFIWIBFSA-N -2 0 356.385 0.174 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1ccc(-n2cncn2)cn1 ZINC001602584897 1287031954 /nfs/dbraw/zinc/03/19/54/1287031954.db2.gz JSYJDBVWJHTKRS-UHFFFAOYSA-N -2 0 352.357 0.618 20 0 FCADRL O=C([O-])c1c(Cl)cccc1S(=O)(=O)[N-]C(=O)C[C@H]1CCCC(=O)N1 ZINC001602642078 1287044970 /nfs/dbraw/zinc/04/49/70/1287044970.db2.gz BZGSDHDULMMAMB-MRVPVSSYSA-N -2 0 374.802 0.902 20 0 FCADRL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001609378174 1289129641 /nfs/dbraw/zinc/12/96/41/1289129641.db2.gz NWMRWJGJECXXDE-JTQLQIEISA-N -2 0 360.374 0.450 20 0 FCADRL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001609378202 1289130897 /nfs/dbraw/zinc/13/08/97/1289130897.db2.gz PDRZMZHATXPFBY-ZDUSSCGKSA-N -2 0 362.390 0.742 20 0 FCADRL CC(=O)N[C@@H](CC(=O)[N-]S(=O)(=O)CC(=O)[O-])c1ccc(Cl)cc1 ZINC001603037032 1287194599 /nfs/dbraw/zinc/19/45/99/1287194599.db2.gz MUJYGXPUFDWDFP-NSHDSACASA-N -2 0 362.791 0.438 20 0 FCADRL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)C(=O)NCc1cccs1 ZINC001605104143 1287881626 /nfs/dbraw/zinc/88/16/26/1287881626.db2.gz XEYYMOSMGLYUSE-SECBINFHSA-N -2 0 373.412 0.808 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1=O ZINC001605136098 1287892128 /nfs/dbraw/zinc/89/21/28/1287892128.db2.gz WZEUKNVIXMAWIV-CYBMUJFWSA-N -2 0 359.335 0.438 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)C1=O ZINC001605135820 1287892381 /nfs/dbraw/zinc/89/23/81/1287892381.db2.gz RSFPTUZUPHJBDT-ZDUSSCGKSA-N -2 0 356.360 0.002 20 0 FCADRL CCCN1C[C@H](C(=O)[N-]S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)CC1=O ZINC001605321075 1287925874 /nfs/dbraw/zinc/92/58/74/1287925874.db2.gz BGDSHXZBAKYRTK-LLVKDONJSA-N -2 0 369.399 0.416 20 0 FCADRL CCOC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])C1 ZINC001605551356 1287998226 /nfs/dbraw/zinc/99/82/26/1287998226.db2.gz QNXPFAGRAGTNCI-VWYCJHECSA-N -2 0 364.420 0.410 20 0 FCADRL CCOC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)C(=O)[O-] ZINC001605642213 1288043878 /nfs/dbraw/zinc/04/38/78/1288043878.db2.gz FTGVPRSGOSQCQU-VIFPVBQESA-N -2 0 351.764 0.806 20 0 FCADRL CC[C@@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1)C(=O)[O-] ZINC001605748540 1288070832 /nfs/dbraw/zinc/07/08/32/1288070832.db2.gz ZQZQFLLWSZSAGY-LLVKDONJSA-N -2 0 374.353 0.797 20 0 FCADRL CCc1c(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cnn1Cc1ccccc1 ZINC001605780785 1288081766 /nfs/dbraw/zinc/08/17/66/1288081766.db2.gz XBORKAQQSONSRT-UHFFFAOYSA-N -2 0 351.384 0.638 20 0 FCADRL CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])n1 ZINC001606004690 1288128246 /nfs/dbraw/zinc/12/82/46/1288128246.db2.gz UOXOGXWIFLWPAE-UHFFFAOYSA-N -2 0 370.362 0.609 20 0 FCADRL CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001606161569 1288194043 /nfs/dbraw/zinc/19/40/43/1288194043.db2.gz KBJVKJCCBVOTJY-UHFFFAOYSA-N -2 0 352.372 0.724 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)c1ccn(C)n1 ZINC001606341998 1288264288 /nfs/dbraw/zinc/26/42/88/1288264288.db2.gz KCDPVBJQSGOKCB-LLVKDONJSA-N -2 0 357.344 0.212 20 0 FCADRL NC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)ccc1F ZINC001606422559 1288305085 /nfs/dbraw/zinc/30/50/85/1288305085.db2.gz OJBSQDYBTBUAEC-UHFFFAOYSA-N -2 0 367.322 0.890 20 0 FCADRL COC(=O)COc1c(C)cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1C ZINC001606474454 1288335935 /nfs/dbraw/zinc/33/59/35/1288335935.db2.gz ZUPGZAOGTYLJDD-SNVBAGLBSA-N -2 0 373.383 0.388 20 0 FCADRL COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F)C(=O)[O-] ZINC001606478062 1288338763 /nfs/dbraw/zinc/33/87/63/1288338763.db2.gz FTUSUJBGLVHFKM-QMMMGPOBSA-N -2 0 363.319 0.127 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC001606579321 1288393700 /nfs/dbraw/zinc/39/37/00/1288393700.db2.gz LDNKZMWWUJMZBV-SECBINFHSA-N -2 0 357.340 0.267 20 0 FCADRL COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001606614610 1288409979 /nfs/dbraw/zinc/40/99/79/1288409979.db2.gz XBRUBAPDOZDHBY-NWDGAFQWSA-N -2 0 369.395 0.920 20 0 FCADRL COC(=O)c1cccc(CC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001606617119 1288410560 /nfs/dbraw/zinc/41/05/60/1288410560.db2.gz ZNDYGYPGTMOUOB-NXEZZACHSA-N -2 0 357.384 0.571 20 0 FCADRL COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001606622821 1288414376 /nfs/dbraw/zinc/41/43/76/1288414376.db2.gz FUEBBZZEDKZWBY-KOLCDFICSA-N -2 0 361.372 0.614 20 0 FCADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)C(=O)[O-] ZINC001606638070 1288419943 /nfs/dbraw/zinc/41/99/43/1288419943.db2.gz MYLIUVCAMRHDMW-YFKPBYRVSA-N -2 0 351.358 0.232 20 0 FCADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)CC(=O)[O-] ZINC001606637997 1288420042 /nfs/dbraw/zinc/42/00/42/1288420042.db2.gz LCEODXKFAHLTBY-YFKPBYRVSA-N -2 0 351.358 0.374 20 0 FCADRL CO[C@@H](C[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)[O-])C1CC1 ZINC001606668019 1288431066 /nfs/dbraw/zinc/43/10/66/1288431066.db2.gz GPZSLDGAFGRCHW-OLZOCXBDSA-N -2 0 357.384 0.931 20 0 FCADRL CO[C@@H]1CN(S(=O)(=O)c2scnc2C(=O)[O-])[C@@](C)(C(=O)[O-])C1 ZINC001606770685 1288504369 /nfs/dbraw/zinc/50/43/69/1288504369.db2.gz LSUVXEVNDVNSON-UPONEAKYSA-N -2 0 350.374 0.094 20 0 FCADRL COC[C@@](C)(CC(=O)[O-])NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001606779258 1288510902 /nfs/dbraw/zinc/51/09/02/1288510902.db2.gz ISSZZZCFEZUJBA-CXAGYDPISA-N -2 0 363.370 0.702 20 0 FCADRL COC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC001606784181 1288514445 /nfs/dbraw/zinc/51/44/45/1288514445.db2.gz GUQZFGZVIBWXEJ-OAHLLOKOSA-N -2 0 374.415 0.252 20 0 FCADRL COCCOc1ccc(F)cc1S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-] ZINC001606912984 1288560455 /nfs/dbraw/zinc/56/04/55/1288560455.db2.gz HHHCMAVRKMFWJY-SECBINFHSA-N -2 0 363.363 0.767 20 0 FCADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)NCCSCC(=O)[O-])c1 ZINC001606941011 1288570929 /nfs/dbraw/zinc/57/09/29/1288570929.db2.gz SZKAMHGITTWRGT-UHFFFAOYSA-N -2 0 363.413 0.627 20 0 FCADRL O=C([O-])[C@@H](CC(F)F)NS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001606959197 1288575793 /nfs/dbraw/zinc/57/57/93/1288575793.db2.gz IZYHBHZCXQAQIM-SCSAIBSYSA-N -2 0 353.332 0.315 20 0 FCADRL O=C([O-])[C@@H]1N(S(=O)(=O)c2ccsc2-c2nnn[n-]2)CC12CCCC2 ZINC001606960467 1288576361 /nfs/dbraw/zinc/57/63/61/1288576361.db2.gz IQZGGTGJUAEHMU-JTQLQIEISA-N -2 0 369.428 0.946 20 0 FCADRL O=C([O-])CC[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001606961542 1288576642 /nfs/dbraw/zinc/57/66/42/1288576642.db2.gz UPGAMKVIHZYCLU-SECBINFHSA-N -2 0 355.376 0.868 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@@H](C)CCC(=O)[O-])c(OC)c1C(=O)[O-] ZINC001607286198 1288694050 /nfs/dbraw/zinc/69/40/50/1288694050.db2.gz UWVXRRAJZXUMCE-QMMMGPOBSA-N -2 0 361.372 0.934 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])nnn1CC1CCCC1 ZINC001607508257 1288721175 /nfs/dbraw/zinc/72/11/75/1288721175.db2.gz BDRNBAPFUKPRJF-UHFFFAOYSA-N -2 0 358.420 0.701 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])nnn1-c1ccc(F)c(F)c1 ZINC001607508343 1288721902 /nfs/dbraw/zinc/72/19/02/1288721902.db2.gz FLNJFSLQKRUZRD-ZETCQYMHSA-N -2 0 374.325 0.387 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])ccc1-n1cncn1 ZINC001607579727 1288727454 /nfs/dbraw/zinc/72/74/54/1288727454.db2.gz DRIIIJZWAAILCC-QWRGUYRKSA-N -2 0 366.399 0.745 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])nn1C1CCOCC1 ZINC001607579784 1288727777 /nfs/dbraw/zinc/72/77/77/1288727777.db2.gz HHXUYAZHVSPWQX-QWRGUYRKSA-N -2 0 373.431 0.712 20 0 FCADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CC2(CCOCC2)[C@@H]1C(=O)[O-] ZINC001607598153 1288729699 /nfs/dbraw/zinc/72/96/99/1288729699.db2.gz LZCXMXMMEZZHJU-ZDUSSCGKSA-N -2 0 369.395 0.948 20 0 FCADRL Cc1cc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001607670757 1288731482 /nfs/dbraw/zinc/73/14/82/1288731482.db2.gz OSUSUCVNWVBELH-BMLIUANNSA-N -2 0 362.338 0.191 20 0 FCADRL Cc1ccc(S(=O)(=O)N(C)CC(=O)[N-]OCCCC(=O)[O-])cc1C ZINC001607815313 1288740266 /nfs/dbraw/zinc/74/02/66/1288740266.db2.gz NVJHQLMTWXWQEW-UHFFFAOYSA-N -2 0 358.416 0.837 20 0 FCADRL Cc1ccccc1C[C@H](C)NC(=O)CS(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001607880784 1288742562 /nfs/dbraw/zinc/74/25/62/1288742562.db2.gz XFXZKOJRLVQIIX-NSHDSACASA-N -2 0 365.411 0.937 20 0 FCADRL Cc1ccn(CC(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)c(=O)c1 ZINC001607892356 1288743096 /nfs/dbraw/zinc/74/30/96/1288743096.db2.gz XDNPZVMOABIDNF-UHFFFAOYSA-N -2 0 364.379 0.501 20 0 FCADRL Cn1cc([C@H](NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C(=O)[O-])cn1 ZINC001608106302 1288769171 /nfs/dbraw/zinc/76/91/71/1288769171.db2.gz OZDSRJBZTCUPKC-NSHDSACASA-N -2 0 373.774 0.876 20 0 FCADRL Cn1cc(C[C@@H](NS(=O)(=O)c2csc(C(=O)[O-])c2)C(=O)[O-])cn1 ZINC001608111101 1288770398 /nfs/dbraw/zinc/77/03/98/1288770398.db2.gz SRWMCOURAMWSKC-SECBINFHSA-N -2 0 359.385 0.154 20 0 FCADRL Cn1cnc2c1nccc2C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001608135442 1288777927 /nfs/dbraw/zinc/77/79/27/1288777927.db2.gz SSEXOWDXPGFZDK-UHFFFAOYSA-N -2 0 360.351 0.785 20 0 FCADRL Cn1nc([C@@H]2CCCO2)cc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001608149056 1288781612 /nfs/dbraw/zinc/78/16/12/1288781612.db2.gz VKGUDRKVVAPMLP-NSHDSACASA-N -2 0 355.376 0.354 20 0 FCADRL Cn1nc2ccccc2c1C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001608153165 1288782639 /nfs/dbraw/zinc/78/26/39/1288782639.db2.gz HWZDRSIZTMRCQZ-UHFFFAOYSA-N -2 0 366.380 0.847 20 0 FCADRL Cn1nnc2cc(S(=O)(=O)[N-]C(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)ccc21 ZINC001608168364 1288786340 /nfs/dbraw/zinc/78/63/40/1288786340.db2.gz PQEFKTXQRSQXET-UWVGGRQHSA-N -2 0 366.399 0.664 20 0 FCADRL O=C([O-])c1c(Cl)cccc1S(=O)(=O)[N-]C(=O)CC1OCCCO1 ZINC001608298393 1288814429 /nfs/dbraw/zinc/81/44/29/1288814429.db2.gz YYTWKJNXPPEZOI-UHFFFAOYSA-N -2 0 363.775 0.996 20 0 FCADRL O=C([O-])[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)c1cc(F)ccc1F ZINC001608306170 1288816343 /nfs/dbraw/zinc/81/63/43/1288816343.db2.gz HJGWBNDZWHKBQL-LLVKDONJSA-N -2 0 356.285 0.690 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)COCc2ccccn2)c1 ZINC001608348599 1288827149 /nfs/dbraw/zinc/82/71/49/1288827149.db2.gz WCWWGFJSTFTFCD-UHFFFAOYSA-N -2 0 350.352 0.802 20 0 FCADRL O=C([O-])[C@@H](CO)NC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC001608394701 1288834144 /nfs/dbraw/zinc/83/41/44/1288834144.db2.gz GJUWHSSWBLOXJS-MRVPVSSYSA-N -2 0 356.278 0.123 20 0 FCADRL O=C([O-])C12CC(C(=O)[N-]S(=O)(=O)N3CCc4sccc4C3)(C1)C2 ZINC001608582954 1288857980 /nfs/dbraw/zinc/85/79/80/1288857980.db2.gz RXXXMVKXSSEHCD-UHFFFAOYSA-N -2 0 356.425 0.722 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)ccc1F ZINC001608859322 1288876939 /nfs/dbraw/zinc/87/69/39/1288876939.db2.gz OGXKKGJDZDLCHF-MRVPVSSYSA-N -2 0 370.362 0.916 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCN(Cc3ccncc3)CC2)on1 ZINC001608860374 1288877730 /nfs/dbraw/zinc/87/77/30/1288877730.db2.gz ILCMBCVNPPFWJE-UHFFFAOYSA-N -2 0 366.399 0.711 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)s1 ZINC001608909637 1288879035 /nfs/dbraw/zinc/87/90/35/1288879035.db2.gz RJYFEMGGHPTABK-SSDOTTSWSA-N -2 0 358.401 0.838 20 0 FCADRL O=C([O-])C(F)=C(NCc1ccc(F)cc1)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001609044022 1288886531 /nfs/dbraw/zinc/88/65/31/1288886531.db2.gz JAQCPVVYZNLBPA-SECBINFHSA-N -2 0 355.322 0.123 20 0 FCADRL O=C([O-])C(F)=C(Nc1ccc(F)c(F)c1)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001609044804 1288886736 /nfs/dbraw/zinc/88/67/36/1288886736.db2.gz XWVBJJMKUDKFFI-QMMMGPOBSA-N -2 0 359.285 0.584 20 0 FCADRL C[C@@H](C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C(C)(F)F ZINC001609072462 1288903812 /nfs/dbraw/zinc/90/38/12/1288903812.db2.gz QNAMGCCDASNUAD-LURJTMIESA-N -2 0 353.289 0.950 20 0 FCADRL O=C(C=Cc1ccncn1)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001609519573 1289191469 /nfs/dbraw/zinc/19/14/69/1289191469.db2.gz APAJOULJXFGGBB-UPHRSURJSA-N -2 0 365.313 0.162 20 0 FCADRL O=C(C[C@@H]1CCCOC1)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001609521543 1289192366 /nfs/dbraw/zinc/19/23/66/1289192366.db2.gz YCMBYZCDGUMKTH-VIFPVBQESA-N -2 0 359.346 0.475 20 0 FCADRL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)o1)C(F)(F)F ZINC001609571574 1289232298 /nfs/dbraw/zinc/23/22/98/1289232298.db2.gz NJZICYGMPNKNLN-YFKPBYRVSA-N -2 0 369.281 0.391 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nn[nH]n2)c[nH]1 ZINC001609572225 1289235069 /nfs/dbraw/zinc/23/50/69/1289235069.db2.gz LELBKILWSCTFQW-UHFFFAOYSA-N -2 0 352.307 0.833 20 0 FCADRL CC(C)n1cnnc1SCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-] ZINC001609638460 1289269736 /nfs/dbraw/zinc/26/97/36/1289269736.db2.gz GKHOIJZRYNGSST-IUCAKERBSA-N -2 0 364.449 0.506 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(C(=O)N(C)C)cc1 ZINC001609639512 1289270666 /nfs/dbraw/zinc/27/06/66/1289270666.db2.gz YTMYEUJRDDNWFS-NXEZZACHSA-N -2 0 356.400 0.557 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1cccnc1 ZINC001609639371 1289270989 /nfs/dbraw/zinc/27/09/89/1289270989.db2.gz WDZGWQINLHMPTP-UWVGGRQHSA-N -2 0 366.399 0.651 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC001609642216 1289271325 /nfs/dbraw/zinc/27/13/25/1289271325.db2.gz IQVDOONUWRHTBV-KCJUWKMLSA-N -2 0 358.347 0.098 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCc1nnc(-c2ccccc2)o1 ZINC001609642151 1289271373 /nfs/dbraw/zinc/27/13/73/1289271373.db2.gz GTJYUPHBWBSESJ-JTQLQIEISA-N -2 0 367.383 0.978 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC001609639561 1289271547 /nfs/dbraw/zinc/27/15/47/1289271547.db2.gz ZKVOGXZFIQRQLE-HOTUBEGUSA-N -2 0 355.368 0.323 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC001609642736 1289271632 /nfs/dbraw/zinc/27/16/32/1289271632.db2.gz CDRXIVFDWIVXQM-LURJTMIESA-N -2 0 371.339 0.216 20 0 FCADRL CC(C)(C(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC001609650469 1289273199 /nfs/dbraw/zinc/27/31/99/1289273199.db2.gz XINPPBAOQMAUTJ-JTQLQIEISA-N -2 0 359.404 0.479 20 0 FCADRL CC(C)(C(=O)[O-])c1csc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1 ZINC001609652203 1289274047 /nfs/dbraw/zinc/27/40/47/1289274047.db2.gz KRAHIIWNQMNYCC-UHFFFAOYSA-N -2 0 362.371 0.529 20 0 FCADRL CC(C)CN1N=C(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])CCC1=O ZINC001609699482 1289281330 /nfs/dbraw/zinc/28/13/30/1289281330.db2.gz NBCHYNQOVKCKSG-UWVGGRQHSA-N -2 0 361.420 0.176 20 0 FCADRL C[C@H](NC(=O)CC(C)(C)C)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001609758613 1289292224 /nfs/dbraw/zinc/29/22/24/1289292224.db2.gz AKRDKCKNCHIAMW-VIFPVBQESA-N -2 0 350.437 0.484 20 0 FCADRL C[C@H](OC1CCCCC1)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001609800684 1289300998 /nfs/dbraw/zinc/30/09/98/1289300998.db2.gz RXAGFHPXUKSOQY-NSHDSACASA-N -2 0 362.448 0.882 20 0 FCADRL C[C@H]1C(=O)CC[C@@H](C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1(C)C ZINC001609829633 1289306453 /nfs/dbraw/zinc/30/64/53/1289306453.db2.gz DBVBLZRSRYVJAR-JQWIXIFHSA-N -2 0 374.459 0.785 20 0 FCADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)C1 ZINC001609841591 1289310369 /nfs/dbraw/zinc/31/03/69/1289310369.db2.gz XIKUNGNYWUXMCN-MNOVXSKESA-N -2 0 364.354 0.658 20 0 FCADRL CC(C)[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])N1C[C@@H](C)O[C@H](C)C1 ZINC001609865901 1289316366 /nfs/dbraw/zinc/31/63/66/1289316366.db2.gz CURQBSWWDXKXLQ-YRGRVCCFSA-N -2 0 364.464 0.431 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])[C@H](C(=O)[O-])[C@H](C)O1 ZINC001609873871 1289321639 /nfs/dbraw/zinc/32/16/39/1289321639.db2.gz GCPQQKIQUFKDKF-LWINAJNOSA-N -2 0 361.347 0.775 20 0 FCADRL CC[C@@H](C)OCC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001609910674 1289327646 /nfs/dbraw/zinc/32/76/46/1289327646.db2.gz NOYXRECQKMHJHJ-SNVBAGLBSA-N -2 0 359.400 0.942 20 0 FCADRL CC[C@@H](NC(=O)c1cccc(C(=O)N[C@@H](CC)C(=O)OC)c1[O-])C(=O)[O-] ZINC001609929332 1289330266 /nfs/dbraw/zinc/33/02/66/1289330266.db2.gz ZJSLLALTVFQECV-NEPJUHHUSA-N -2 0 366.370 0.667 20 0 FCADRL CCNC(=O)Nc1cccc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])c1 ZINC001610009484 1289343753 /nfs/dbraw/zinc/34/37/53/1289343753.db2.gz YYDOCTQWMQJOJK-UHFFFAOYSA-N -2 0 352.347 0.679 20 0 FCADRL CCOC(=O)CC[C@H](NS(=O)(=O)c1ccsc1C(=O)[O-])C(=O)[O-] ZINC001610016668 1289346069 /nfs/dbraw/zinc/34/60/69/1289346069.db2.gz RWCIGNGONZUPGT-ZETCQYMHSA-N -2 0 365.385 0.521 20 0 FCADRL CCOC(=O)c1oc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)nc1C ZINC001610023917 1289349919 /nfs/dbraw/zinc/34/99/19/1289349919.db2.gz PXOCJXKJPQPXRQ-UHFFFAOYSA-N -2 0 357.344 0.997 20 0 FCADRL CCO[N-]C(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC001610038694 1289354961 /nfs/dbraw/zinc/35/49/61/1289354961.db2.gz SLWQIKXXABDUHC-ZDUSSCGKSA-N -2 0 363.370 0.772 20 0 FCADRL CCOc1ccc(NC(=O)CS(=O)(=O)c2ncc(C(=O)[O-])[n-]2)cc1 ZINC001610041718 1289356100 /nfs/dbraw/zinc/35/61/00/1289356100.db2.gz FMRILUKLYIFJLF-UHFFFAOYSA-N -2 0 353.356 0.919 20 0 FCADRL CCc1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-] ZINC001610074098 1289364603 /nfs/dbraw/zinc/36/46/03/1289364603.db2.gz XMJPTEFMQSOZMU-NKWVEPMBSA-N -2 0 351.812 0.805 20 0 FCADRL COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001610189717 1289417751 /nfs/dbraw/zinc/41/77/51/1289417751.db2.gz BKKYDUXAQYINSO-LURJTMIESA-N -2 0 364.763 0.588 20 0 FCADRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)NC[C@@H](F)C(=O)[O-] ZINC001610192769 1289419469 /nfs/dbraw/zinc/41/94/69/1289419469.db2.gz JITLMTMKRWLKDH-RXMQYKEDSA-N -2 0 369.348 0.242 20 0 FCADRL COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c1 ZINC001610199850 1289424626 /nfs/dbraw/zinc/42/46/26/1289424626.db2.gz MQXSWNCOMLXNKT-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL COC(=O)c1cc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001610203454 1289425726 /nfs/dbraw/zinc/42/57/26/1289425726.db2.gz PTDYPPOVPYHOMM-NSHDSACASA-N -2 0 352.299 0.489 20 0 FCADRL COC(CN(CCC(=O)[O-])CC1=Nc2ccccc2S(=O)(=O)[N-]1)OC ZINC001610223979 1289430903 /nfs/dbraw/zinc/43/09/03/1289430903.db2.gz GKCGWFURPPLZNK-UHFFFAOYSA-N -2 0 371.415 0.404 20 0 FCADRL COC[C@](C)([N-]S(=O)(=O)CC1(C(=O)[O-])CCCCC1)C(=O)OC ZINC001610243568 1289435784 /nfs/dbraw/zinc/43/57/84/1289435784.db2.gz HSRAUOLNFQYZRX-ZDUSSCGKSA-N -2 0 351.421 0.519 20 0 FCADRL COCC[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)C(=O)[O-] ZINC001610253565 1289438898 /nfs/dbraw/zinc/43/88/98/1289438898.db2.gz GAWAOIUTGBFKAE-SNVBAGLBSA-N -2 0 351.384 0.442 20 0 FCADRL COCCOc1cc(OC)ccc1C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001610262453 1289442126 /nfs/dbraw/zinc/44/21/26/1289442126.db2.gz HMKIJFPLDZMQST-UHFFFAOYSA-N -2 0 361.372 0.255 20 0 FCADRL COc1c(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c(C)nn1C ZINC001610278810 1289448734 /nfs/dbraw/zinc/44/87/34/1289448734.db2.gz ZFMWMZHWVIVMLE-VHSXEESVSA-N -2 0 359.404 0.433 20 0 FCADRL COc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])cc2c1OCCO2 ZINC001610283488 1289450502 /nfs/dbraw/zinc/45/05/02/1289450502.db2.gz XHDLACKFWIIEEX-BDAKNGLRSA-N -2 0 373.383 0.635 20 0 FCADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)N1CSC[C@H]1C(=O)[O-] ZINC001610290722 1289452869 /nfs/dbraw/zinc/45/28/69/1289452869.db2.gz HGOWGNGKJHLTKY-YFKPBYRVSA-N -2 0 353.399 0.603 20 0 FCADRL COc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001610298192 1289454415 /nfs/dbraw/zinc/45/44/15/1289454415.db2.gz GRQLJNPSAGHKLF-JOYOIKCWSA-N -2 0 364.354 0.901 20 0 FCADRL COc1cc(OC)c(OC)c2[nH]c(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc21 ZINC001610307936 1289457361 /nfs/dbraw/zinc/45/73/61/1289457361.db2.gz ZSCSAVWTDKGINJ-UHFFFAOYSA-N -2 0 372.355 0.338 20 0 FCADRL COc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])nc1Br ZINC001610312651 1289459056 /nfs/dbraw/zinc/45/90/56/1289459056.db2.gz DTNIOBHTPZBUBW-YFKPBYRVSA-N -2 0 367.177 0.385 20 0 FCADRL COc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1Br ZINC001610312770 1289459174 /nfs/dbraw/zinc/45/91/74/1289459174.db2.gz JXGNDKSNRJHILS-LURJTMIESA-N -2 0 366.189 0.990 20 0 FCADRL COc1ccc([C@@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C(=O)[O-])cc1F ZINC001610323872 1289459823 /nfs/dbraw/zinc/45/98/23/1289459823.db2.gz QZLMYQBXJKWEOD-GFCCVEGCSA-N -2 0 372.330 0.965 20 0 FCADRL COc1ccc(NC(=O)CS(=O)(=O)c2ncc(C(=O)[O-])[n-]2)cc1OC ZINC001610341179 1289463804 /nfs/dbraw/zinc/46/38/04/1289463804.db2.gz YHDULUSWFGYFKJ-UHFFFAOYSA-N -2 0 369.355 0.538 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cnccc2NC(C)=O)cc1C(=O)[O-] ZINC001610346341 1289466780 /nfs/dbraw/zinc/46/67/80/1289466780.db2.gz HRCUTHPJNYJERE-UHFFFAOYSA-N -2 0 365.367 0.970 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c(CC(=O)[O-])c1 ZINC001610346311 1289466814 /nfs/dbraw/zinc/46/68/14/1289466814.db2.gz FXWLRWLYACNSEO-UHFFFAOYSA-N -3 0 369.355 0.555 20 0 FCADRL COc1cccc([C@H](NS(=O)(=O)CC2(C(=O)[O-])CCC2)C(=O)[O-])c1 ZINC001610354634 1289468967 /nfs/dbraw/zinc/46/89/67/1289468967.db2.gz NQUGGYHOKCJQBJ-LBPRGKRZSA-N -2 0 357.384 0.995 20 0 FCADRL COc1cccc([C@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C(=O)[O-])c1 ZINC001610355934 1289469016 /nfs/dbraw/zinc/46/90/16/1289469016.db2.gz YRXUZRCZRLQTBB-ZDUSSCGKSA-N -2 0 369.355 0.081 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])cc1C(N)=O ZINC001610371287 1289471098 /nfs/dbraw/zinc/47/10/98/1289471098.db2.gz UWCPHVJZTLBYFJ-UHFFFAOYSA-N -2 0 365.367 0.997 20 0 FCADRL COc1ncc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])cc1Cl ZINC001610370932 1289471371 /nfs/dbraw/zinc/47/13/71/1289471371.db2.gz MRRWRVAJAAXSPW-BQBZGAKWSA-N -2 0 350.780 0.912 20 0 FCADRL Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC001610404255 1289480959 /nfs/dbraw/zinc/48/09/59/1289480959.db2.gz WSMSYZALBRRVLX-UHFFFAOYSA-N -2 0 352.372 0.591 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cnn1CC(=O)[O-] ZINC001610427048 1289486185 /nfs/dbraw/zinc/48/61/85/1289486185.db2.gz ITITXGXLOKGNBD-UHFFFAOYSA-N -2 0 364.383 0.962 20 0 FCADRL Cc1c(Cl)c(C(=O)[O-])sc1S(=O)(=O)[N-]N1CC(=O)N(C)C1=O ZINC001610427590 1289486327 /nfs/dbraw/zinc/48/63/27/1289486327.db2.gz IYQMMYMUZCGYBC-UHFFFAOYSA-N -2 0 367.792 0.495 20 0 FCADRL Cc1cc(F)c(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1C(=O)[O-] ZINC001610469660 1289491380 /nfs/dbraw/zinc/49/13/80/1289491380.db2.gz BVTVSLIPVMXSDZ-NSHDSACASA-N -2 0 371.346 0.530 20 0 FCADRL Cc1cccc(-n2cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])nn2)c1 ZINC001610518225 1289499675 /nfs/dbraw/zinc/49/96/75/1289499675.db2.gz AURFPVCMULIVIE-WDEREUQCSA-N -2 0 366.399 0.745 20 0 FCADRL Cc1cccc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)[O-])c1C(=O)[O-] ZINC001610526224 1289502188 /nfs/dbraw/zinc/50/21/88/1289502188.db2.gz YZAQMZLQJGSOLR-MNOVXSKESA-N -2 0 357.384 0.851 20 0 FCADRL Cc1nc(COc2cccc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c2)no1 ZINC001610555916 1289509208 /nfs/dbraw/zinc/50/92/08/1289509208.db2.gz OSBGDBUDVGWKGJ-UHFFFAOYSA-N -2 0 369.355 0.491 20 0 FCADRL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1 ZINC001610559941 1289510843 /nfs/dbraw/zinc/51/08/43/1289510843.db2.gz SDGBDIAOKKUQKX-JTQLQIEISA-N -2 0 374.357 0.575 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC001610581793 1289516893 /nfs/dbraw/zinc/51/68/93/1289516893.db2.gz UFHXEJYFNCOQII-JTQLQIEISA-N -2 0 372.399 0.596 20 0 FCADRL Cn1c(=O)[nH]c2ccc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)cc21 ZINC001610594466 1289521231 /nfs/dbraw/zinc/52/12/31/1289521231.db2.gz OURVXVSQQUCWSQ-UHFFFAOYSA-N -2 0 351.344 0.361 20 0 FCADRL Cn1cc(C(N)=O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)n1 ZINC001610601856 1289524182 /nfs/dbraw/zinc/52/41/82/1289524182.db2.gz NUFJHLQVDOMELU-UHFFFAOYSA-N -2 0 358.763 0.671 20 0 FCADRL Cn1cnc(S(=O)(=O)[N-]C(=O)Cc2ccccc2C(=O)[O-])c1Cl ZINC001610611058 1289528221 /nfs/dbraw/zinc/52/82/21/1289528221.db2.gz CKAQWPHHRODBQF-UHFFFAOYSA-N -2 0 357.775 0.819 20 0 FCADRL Cn1nc(Br)cc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC001610612452 1289528296 /nfs/dbraw/zinc/52/82/96/1289528296.db2.gz DYYLAEABLUPDET-UHFFFAOYSA-N -2 0 354.182 0.107 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)CCCNC(=O)C1CC1 ZINC001610655452 1289544085 /nfs/dbraw/zinc/54/40/85/1289544085.db2.gz FELHEBYNUWTNND-UHFFFAOYSA-N -2 0 360.413 0.558 20 0 FCADRL O=C([O-])[C@@H](CC1CC1)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001610666566 1289547858 /nfs/dbraw/zinc/54/78/58/1289547858.db2.gz WFCGGECMDPEGNT-LLVKDONJSA-N -2 0 362.354 0.613 20 0 FCADRL O=C([O-])[C@@H](CF)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC001610681617 1289550552 /nfs/dbraw/zinc/55/05/52/1289550552.db2.gz PBAZIPFOPWCBLZ-LLVKDONJSA-N -2 0 360.363 0.329 20 0 FCADRL O=C([O-])c1cn(CCNC(=O)c2ccc3c(=O)[nH]c(=S)[n-]c3c2)nn1 ZINC001610695916 1289559296 /nfs/dbraw/zinc/55/92/96/1289559296.db2.gz XLAQYILIPCHESU-UHFFFAOYSA-N -2 0 360.355 0.344 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001610731163 1289569127 /nfs/dbraw/zinc/56/91/27/1289569127.db2.gz GRRPRHLXYQZVLU-UHFFFAOYSA-N -2 0 374.396 0.831 20 0 FCADRL O=C([O-])C1(CS(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CCCC1 ZINC001610727318 1289569742 /nfs/dbraw/zinc/56/97/42/1289569742.db2.gz JDCTXNDCUPURCB-JTQLQIEISA-N -2 0 358.420 0.665 20 0 FCADRL O=C([O-])[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cnn(CC3CC3)c2)C1 ZINC001610741161 1289574004 /nfs/dbraw/zinc/57/40/04/1289574004.db2.gz OAXRXWUQDPNHGZ-RYUDHWBXSA-N -2 0 355.416 0.989 20 0 FCADRL O=C([O-])/C=C\c1ccc(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)cc1 ZINC001610752183 1289578321 /nfs/dbraw/zinc/57/83/21/1289578321.db2.gz PLHZURYHJPCVIB-UTCJRWHESA-N -2 0 368.411 0.565 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccsc1C(=O)[O-])C1CCOCC1 ZINC001610754509 1289578417 /nfs/dbraw/zinc/57/84/17/1289578417.db2.gz TYXQPTAIVIUXPT-SECBINFHSA-N -2 0 363.413 0.995 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)c1cccnc1OCC(F)(F)F ZINC001610775277 1289587762 /nfs/dbraw/zinc/58/77/62/1289587762.db2.gz MSZBFVDLSMAXGT-UHFFFAOYSA-N -2 0 356.278 0.557 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001610779635 1289588838 /nfs/dbraw/zinc/58/88/38/1289588838.db2.gz VOMOTQMYLFFPPS-UHFFFAOYSA-N -3 0 351.720 0.198 20 0 FCADRL O=C([O-])Cc1nnc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)[nH]1 ZINC001610799098 1289597562 /nfs/dbraw/zinc/59/75/62/1289597562.db2.gz ZIKFCNYUPFXOIV-UHFFFAOYSA-N -2 0 362.371 0.477 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)N2CCc3cccc(C(=O)[O-])c32)cn1 ZINC001610801559 1289597901 /nfs/dbraw/zinc/59/79/01/1289597901.db2.gz WXWSRPVIEHDIMM-UHFFFAOYSA-N -2 0 351.340 0.417 20 0 FCADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)NC[C@@H](F)C(=O)[O-])c1 ZINC001610807804 1289599191 /nfs/dbraw/zinc/59/91/91/1289599191.db2.gz BSTOFRDLPRNOLS-MRVPVSSYSA-N -2 0 370.152 0.848 20 0 FCADRL O=C([O-])c1ccc(F)c(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)c1 ZINC001610832166 1289601691 /nfs/dbraw/zinc/60/16/91/1289601691.db2.gz TVBZSINXBFQZBT-SKDRFNHKSA-N -2 0 361.347 0.370 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCc3n[nH]cc3C2)cc1 ZINC001610829630 1289602360 /nfs/dbraw/zinc/60/23/60/1289602360.db2.gz JDYYXFPYSNVYTE-LBPRGKRZSA-N -2 0 363.395 0.859 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)NCC2(C(=O)[O-])CCOCC2)c1 ZINC001610846855 1289604547 /nfs/dbraw/zinc/60/45/47/1289604547.db2.gz DSFZQRLFZCXEIG-UHFFFAOYSA-N -2 0 357.384 0.686 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c1 ZINC001610847101 1289606630 /nfs/dbraw/zinc/60/66/30/1289606630.db2.gz WSVJFJLWDQQXCL-UHTWSYAYSA-N -2 0 351.380 0.946 20 0 FCADRL O=C([O-])c1ccccc1CS(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1 ZINC001610854192 1289606771 /nfs/dbraw/zinc/60/67/71/1289606771.db2.gz RINBYCXLKPQZJV-GXFFZTMASA-N -2 0 357.384 0.372 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)c1 ZINC001610868350 1289612059 /nfs/dbraw/zinc/61/20/59/1289612059.db2.gz ZMZLNNFTAXYIJD-UHFFFAOYSA-N -2 0 357.344 0.426 20 0 FCADRL O=C([O-])c1nscc1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)F)C1 ZINC001610872585 1289613844 /nfs/dbraw/zinc/61/38/44/1289613844.db2.gz FSVJYFZWVZINSC-RFZPGFLSSA-N -2 0 356.328 0.428 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)CCCF)cc2[n-]c1=S ZINC000747130502 836218242 /nfs/dbraw/zinc/21/82/42/836218242.db2.gz NKCVLOJDRCMMLZ-UHFFFAOYSA-N -2 0 359.404 0.641 20 0 FCADRL C[C@H](CN(C)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)c1nnn[n-]1 ZINC001138058143 849296221 /nfs/dbraw/zinc/29/62/21/849296221.db2.gz UMZISFMWGCBUFX-MRVPVSSYSA-N -2 0 374.373 0.018 20 0 FCADRL Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)NCCOP(=O)([O-])[O-] ZINC001148046610 849600876 /nfs/dbraw/zinc/60/08/76/849600876.db2.gz PZZIOOPCOVWYKO-UHFFFAOYSA-N -2 0 364.295 0.606 20 0 FCADRL CCOC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])n(C)n1 ZINC001148917227 849620304 /nfs/dbraw/zinc/62/03/04/849620304.db2.gz QCTFMGIUTAGNPY-UHFFFAOYSA-N -2 0 369.355 0.801 20 0 FCADRL Cc1cc2n(n1)c(=O)cc(C)n2C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148917733 849620902 /nfs/dbraw/zinc/62/09/02/849620902.db2.gz IHMGTQSFQSEBNF-UHFFFAOYSA-N -2 0 363.351 0.754 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cc2ccc(Br)cn2n1 ZINC001153136745 849736890 /nfs/dbraw/zinc/73/68/90/849736890.db2.gz IBFHRPPMMQVIQL-UHFFFAOYSA-N -2 0 364.092 0.936 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1ccc2nnc(-c3cccnc3)n2c1 ZINC001156254256 849899154 /nfs/dbraw/zinc/89/91/54/849899154.db2.gz NSYUTLDRJLYIHY-UHFFFAOYSA-N -2 0 363.270 0.630 20 0 FCADRL CC(C)CCNS(=O)(=O)c1ccc(NCCOP(=O)([O-])[O-])nc1 ZINC001157795619 849995445 /nfs/dbraw/zinc/99/54/45/849995445.db2.gz HTNMKDLOOAWGMD-UHFFFAOYSA-N -2 0 367.364 0.927 20 0 FCADRL COC(=O)C1CCN(c2ccc(NCCOP(=O)([O-])[O-])nn2)CC1 ZINC001157790772 849995740 /nfs/dbraw/zinc/99/57/40/849995740.db2.gz GEZFWKMNHCFJOF-UHFFFAOYSA-N -2 0 360.307 0.387 20 0 FCADRL O=c1cc(CNc2ccc(P(=O)([O-])[O-])cc2)nc2n1CCCNC2 ZINC001163124714 850356521 /nfs/dbraw/zinc/35/65/21/850356521.db2.gz TXYHVIFSGRAQCD-UHFFFAOYSA-N -2 0 350.315 0.152 20 0 FCADRL CN1CCN(c2nc3ccccc3nc2NCCOP(=O)([O-])[O-])CC1 ZINC001168587970 850590499 /nfs/dbraw/zinc/59/04/99/850590499.db2.gz WTICXRUFBMHTAW-UHFFFAOYSA-N -2 0 367.346 0.903 20 0 FCADRL O=C1Cc2c(ncc(Br)c2NCCOP(=O)([O-])[O-])N1 ZINC001168596257 850590533 /nfs/dbraw/zinc/59/05/33/850590533.db2.gz SAXSFTAXISSXOA-UHFFFAOYSA-N -2 0 352.081 0.860 20 0 FCADRL CCOC(=O)[C@H](Cc1c[nH]cn1)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180179933 851017817 /nfs/dbraw/zinc/01/78/17/851017817.db2.gz JJOCJGHEMNUQNM-ZETCQYMHSA-N -2 0 355.244 0.355 20 0 FCADRL N=C([N-]C(=O)C(=O)Cc1c[nH]c2ccccc12)SCCS(=O)(=O)[O-] ZINC001183097676 851225284 /nfs/dbraw/zinc/22/52/84/851225284.db2.gz MCSGOGNUMIVBEX-UHFFFAOYSA-N -2 0 369.424 0.951 20 0 FCADRL O=C(Cc1cc(=O)oc2cc3c(cc12)OCO3)NCCOP(=O)([O-])[O-] ZINC001184232270 851295859 /nfs/dbraw/zinc/29/58/59/851295859.db2.gz OBPSOLHNLUBYFF-UHFFFAOYSA-N -2 0 371.238 0.290 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cc(C)nn2CCO)cc1C(=O)[O-] ZINC001185270979 851347591 /nfs/dbraw/zinc/34/75/91/851347591.db2.gz JBTISIGTZKNXIO-UHFFFAOYSA-N -2 0 355.372 0.691 20 0 FCADRL COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)c(O)c2)cc1C(=O)[O-] ZINC001185313807 851351056 /nfs/dbraw/zinc/35/10/56/851351056.db2.gz GLNLCUOBQQCIDW-UHFFFAOYSA-N -2 0 366.351 0.999 20 0 FCADRL COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC001186143711 851414283 /nfs/dbraw/zinc/41/42/83/851414283.db2.gz RASGHTQXYOIHED-UHFFFAOYSA-N -2 0 355.303 0.901 20 0 FCADRL Cn1c(=O)nc([O-])cc1NS(=O)(=O)c1c(Cl)nc2sccn21 ZINC001187158886 851520190 /nfs/dbraw/zinc/52/01/90/851520190.db2.gz LJKDPIJSTSXWOR-UHFFFAOYSA-N -2 0 361.792 0.649 20 0 FCADRL Cc1oncc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(N)=O)cc1 ZINC001187380004 851555592 /nfs/dbraw/zinc/55/55/92/851555592.db2.gz SMEWRWYCVPPYPS-UHFFFAOYSA-N -2 0 360.373 0.141 20 0 FCADRL Cn1ncc(C(N)=O)c1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188277451 851664822 /nfs/dbraw/zinc/66/48/22/851664822.db2.gz YPZAILJTCYEHOC-UHFFFAOYSA-N -2 0 358.763 0.671 20 0 FCADRL COC(=O)[C@H](NC(=O)c1ccccc1OP(=O)([O-])[O-])C(F)(F)F ZINC001189899451 851839595 /nfs/dbraw/zinc/83/95/95/851839595.db2.gz QCPFBYUAIZWKHC-QMMMGPOBSA-N -2 0 357.177 0.992 20 0 FCADRL O=C(NC1CC2(C1)CS(=O)(=O)C2)c1ccccc1OP(=O)([O-])[O-] ZINC001189900303 851840423 /nfs/dbraw/zinc/84/04/23/851840423.db2.gz ZKECOGDHCVIKBW-UHFFFAOYSA-N -2 0 361.312 0.465 20 0 FCADRL N=c1ccc(F)c(N)n1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189914854 851841434 /nfs/dbraw/zinc/84/14/34/851841434.db2.gz OFOGBHOVFGNLJW-UHFFFAOYSA-N -2 0 355.303 0.322 20 0 FCADRL O=C([O-])c1cc(C(=O)NCCN2CCCCC2=O)cc(S(=O)(=O)[O-])c1 ZINC001189913772 851842012 /nfs/dbraw/zinc/84/20/12/851842012.db2.gz ATZHNIXZLDGDFZ-UHFFFAOYSA-N -2 0 370.383 0.374 20 0 FCADRL Cn1ccc(CNC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)cc1=O ZINC001189934396 851845146 /nfs/dbraw/zinc/84/51/46/851845146.db2.gz SZTYGEFXHUMGCD-UHFFFAOYSA-N -2 0 366.351 0.260 20 0 FCADRL NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001278366585 862306822 /nfs/dbraw/zinc/30/68/22/862306822.db2.gz NWZJZPNYDAACNH-FIDNZITISA-N -2 0 354.299 0.788 20 0 FCADRL O=C1[N-]S(=O)(=O)c2cc([N-]S(=O)(=O)c3cnccc3Cl)ccc21 ZINC001192897195 852307649 /nfs/dbraw/zinc/30/76/49/852307649.db2.gz JXFPQDYJLHYXFM-UHFFFAOYSA-N -2 0 373.799 0.968 20 0 FCADRL COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(=O)n(C)[n-]2)cc1 ZINC001194201575 852557075 /nfs/dbraw/zinc/55/70/75/852557075.db2.gz MQUUBMXVWWJWPT-UHFFFAOYSA-N -2 0 354.344 0.423 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@@H]2SC(=O)[N-]C2=O)c(F)cc1F ZINC001195250167 852731543 /nfs/dbraw/zinc/73/15/43/852731543.db2.gz VBVRCSDOGAKKGQ-MRVPVSSYSA-N -2 0 352.296 0.250 20 0 FCADRL O=C(NC1=CCOC1=O)c1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F ZINC001195366638 852750879 /nfs/dbraw/zinc/75/08/79/852750879.db2.gz QRZZDZVGBWJYIT-UHFFFAOYSA-N -2 0 355.221 0.660 20 0 FCADRL CCOC(=O)CS(=O)(=O)[N-]c1ccc(OC)cc1S(=O)(=O)[O-] ZINC001195975210 852859075 /nfs/dbraw/zinc/85/90/75/852859075.db2.gz XVEDUDFWTNTRBR-UHFFFAOYSA-N -2 0 353.374 0.247 20 0 FCADRL COC(=O)c1cccc(C)c1S(=O)(=O)NCCOP(=O)([O-])[O-] ZINC001197053061 853053762 /nfs/dbraw/zinc/05/37/62/853053762.db2.gz MLYFOYJMQIQCDU-UHFFFAOYSA-N -2 0 353.289 0.169 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)[N-]C3=O)cn1 ZINC001198314501 853248615 /nfs/dbraw/zinc/24/86/15/853248615.db2.gz CIYGNXOZWCKAQO-UHFFFAOYSA-N -2 0 353.381 0.623 20 0 FCADRL COC(=O)[C@H](OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1ccccc1Cl ZINC001223022640 856890758 /nfs/dbraw/zinc/89/07/58/856890758.db2.gz IWXOWWQVDVAXDH-XXILOJSOSA-N -2 0 374.729 0.634 20 0 FCADRL O=C([O-])C[C@@H](C(=O)OCc1nc(-c2ccccc2)no1)[C@@H](O)C(=O)[O-] ZINC001223197534 856900258 /nfs/dbraw/zinc/90/02/58/856900258.db2.gz PPSUTIYBRUVDJH-BXKDBHETSA-N -2 0 350.283 0.316 20 0 FCADRL COC(=O)c1ccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1C ZINC001224203195 856969185 /nfs/dbraw/zinc/96/91/85/856969185.db2.gz JCMCWMCGRNTTMJ-DGCLKSJQSA-N -2 0 354.311 0.361 20 0 FCADRL CCc1ccc(-c2noc(COC(=O)[C@H](O)COP(=O)([O-])[O-])n2)cc1 ZINC001224232139 856970142 /nfs/dbraw/zinc/97/01/42/856970142.db2.gz DKDLNDZYTSSXJW-LLVKDONJSA-N -2 0 372.270 0.812 20 0 FCADRL CCOP(=O)(CCOC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])OCC ZINC001224727213 856998663 /nfs/dbraw/zinc/99/86/63/856998663.db2.gz QTJUOUNULPZVGX-WPRPVWTQSA-N -2 0 356.264 0.332 20 0 FCADRL C[C@H](COCc1ccccc1)COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225002458 857013928 /nfs/dbraw/zinc/01/39/28/857013928.db2.gz DGBRJIHHMAYFDF-UXIGCNINSA-N -2 0 354.355 0.919 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@@H]1COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225052766 857016243 /nfs/dbraw/zinc/01/62/43/857016243.db2.gz IXBOQWDNKYSDAW-KKZNHRDASA-N -2 0 361.347 0.075 20 0 FCADRL COc1cc2c(cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])C(=O)CC2 ZINC001225424619 857040317 /nfs/dbraw/zinc/04/03/17/857040317.db2.gz GTUYUGWJCXUQOL-XPTSAGLGSA-N -2 0 352.295 0.266 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc(Br)ccc1O)[C@@H](O)C(=O)[O-] ZINC001225699822 857054177 /nfs/dbraw/zinc/05/41/77/857054177.db2.gz CZRHUSHHZRICMD-QUBYGPBYSA-N -2 0 363.116 0.597 20 0 FCADRL CSc1nc2[nH]ccc2c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001226024208 857080062 /nfs/dbraw/zinc/08/00/62/857080062.db2.gz PPBQCVFIZZSXNA-XPUUQOCRSA-N -2 0 355.328 0.122 20 0 FCADRL Cc1cc(C(F)(F)F)cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001226186875 857088830 /nfs/dbraw/zinc/08/88/30/857088830.db2.gz QDWZQHWVRZHKOJ-XVKPBYJWSA-N -2 0 351.233 0.851 20 0 FCADRL Cc1ncc(Br)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001226864668 857128576 /nfs/dbraw/zinc/12/85/76/857128576.db2.gz IGMBMJPOZLNFFG-XVKPBYJWSA-N -2 0 362.132 0.594 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ncnc2cnc(Cl)cc21)[C@@H](O)C(=O)[O-] ZINC001226966514 857134567 /nfs/dbraw/zinc/13/45/67/857134567.db2.gz KFSFCKXYIOCKOL-QUBYGPBYSA-N -2 0 355.690 0.120 20 0 FCADRL O=C(Oc1cccc(F)c1Br)[C@H](O)COP(=O)([O-])[O-] ZINC001227018956 857137359 /nfs/dbraw/zinc/13/73/59/857137359.db2.gz QHQNZKVWJSJWJY-ZCFIWIBFSA-N -2 0 359.040 0.964 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1c(O)cccc1Br)[C@@H](O)C(=O)[O-] ZINC001227024933 857137463 /nfs/dbraw/zinc/13/74/63/857137463.db2.gz KSEFTMTTXICUGF-MLUIRONXSA-N -2 0 363.116 0.597 20 0 FCADRL COc1ccc(F)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1Cl ZINC001227356418 857156761 /nfs/dbraw/zinc/15/67/61/857156761.db2.gz OBSCZIGKACZHOR-GPXNAGAYSA-N -2 0 350.682 0.930 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(Br)nc1F)[C@@H](O)C(=O)[O-] ZINC001227608196 857166778 /nfs/dbraw/zinc/16/67/78/857166778.db2.gz VGDNGLCOHSKLPX-SPGJFGJESA-N -2 0 366.095 0.425 20 0 FCADRL CC(C)OC(=O)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227614594 857166870 /nfs/dbraw/zinc/16/68/70/857166870.db2.gz IHBAHFWVTJQCFG-GXFFZTMASA-N -2 0 354.311 0.694 20 0 FCADRL O=C([O-])C[C@H](O)C(=O)Oc1c(Cl)cc(S(=O)(=O)[O-])cc1Cl ZINC001227633578 857168259 /nfs/dbraw/zinc/16/82/59/857168259.db2.gz BTPOUPKYXABUIW-ZETCQYMHSA-N -2 0 359.139 0.981 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1nc(Br)cs1)[C@H](O)C(=O)[O-] ZINC001227675960 857169259 /nfs/dbraw/zinc/16/92/59/857169259.db2.gz OIPWFIADQVUMAF-CVYQJGLWSA-N -2 0 354.134 0.347 20 0 FCADRL O=C([O-])CC[C@@H](O)C(=O)Oc1cc(S(=O)(=O)[O-])cc2ccc(O)cc21 ZINC001227668620 857169497 /nfs/dbraw/zinc/16/94/97/857169497.db2.gz RNCOABIPJKEWSR-GFCCVEGCSA-N -2 0 370.335 0.923 20 0 FCADRL COC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1Cl ZINC001227937213 857184103 /nfs/dbraw/zinc/18/41/03/857184103.db2.gz FXODSIWTCYXISC-GZMMTYOYSA-N -2 0 360.702 0.568 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ncnc2ccc(Cl)cc21)[C@@H](O)C(=O)[O-] ZINC001227964139 857186290 /nfs/dbraw/zinc/18/62/90/857186290.db2.gz KHEPMWSQJGHTAI-LDYMZIIASA-N -2 0 354.702 0.725 20 0 FCADRL CCOCc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(OC)c1 ZINC001228169111 857194305 /nfs/dbraw/zinc/19/43/05/857194305.db2.gz CSCPJWOKIUZMLE-SNVBAGLBSA-N -2 0 350.260 0.607 20 0 FCADRL COC(=O)c1scc(Cl)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228778735 857228303 /nfs/dbraw/zinc/22/83/03/857228303.db2.gz WLRWYZMEVHJGTH-CLZZGJSISA-N -2 0 366.731 0.630 20 0 FCADRL COC(=O)c1sc(C)c(C)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228877613 857234433 /nfs/dbraw/zinc/23/44/33/857234433.db2.gz HXMAZBVEPNASCD-CBAPKCEASA-N -2 0 360.340 0.593 20 0 FCADRL Cc1cccc2c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])[nH]c(=O)nc12 ZINC001229407846 857268605 /nfs/dbraw/zinc/26/86/05/857268605.db2.gz QGOHOEYYGXJOJJ-LDYMZIIASA-N -2 0 350.283 0.086 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(Cl)c2cccnc2n1)[C@@H](O)C(=O)[O-] ZINC001229511922 857272947 /nfs/dbraw/zinc/27/29/47/857272947.db2.gz QPXUOVPZGGENDW-RDDDGLTNSA-N -2 0 354.702 0.725 20 0 FCADRL O=C([O-])CC[C@@H](O)C(=O)Oc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1 ZINC001229620064 857279540 /nfs/dbraw/zinc/27/95/40/857279540.db2.gz XSPKBCQHCWBOIJ-GHMZBOCLSA-N -2 0 353.352 0.712 20 0 FCADRL COC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(Cl)c1 ZINC001229751330 857285220 /nfs/dbraw/zinc/28/52/20/857285220.db2.gz OPPFORJIDMYRKY-WRWORJQWSA-N -2 0 360.702 0.568 20 0 FCADRL O=C([O-])C[C@@H](O)C(=O)Oc1c(Cl)cc(Cl)cc1S(=O)(=O)[O-] ZINC001230111929 857304071 /nfs/dbraw/zinc/30/40/71/857304071.db2.gz OGSUMCKIJQIJJG-ZCFIWIBFSA-N -2 0 359.139 0.981 20 0 FCADRL O=S(=O)([O-])c1cc(O)c(OC[C@@H]2CCCCO2)c(S(=O)(=O)[O-])c1 ZINC001230144455 857307573 /nfs/dbraw/zinc/30/75/73/857307573.db2.gz NWXYQURBHWTPHU-QMMMGPOBSA-N -2 0 368.385 0.834 20 0 FCADRL O=C(Oc1cccc(-c2cccc(=O)[nH]2)n1)[C@H](O)COP(=O)([O-])[O-] ZINC001230632634 857345397 /nfs/dbraw/zinc/34/53/97/857345397.db2.gz LJQKXDLBKZZGDN-SNVBAGLBSA-N -2 0 356.227 0.225 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(C(=O)C(F)(F)F)cc1)[C@@H](O)C(=O)[O-] ZINC001230700307 857345926 /nfs/dbraw/zinc/34/59/26/857345926.db2.gz FPONHUYAKPXPFN-PSASIEDQSA-N -2 0 364.228 0.873 20 0 FCADRL O=C(Oc1[nH]c(=O)ncc1-c1ccccc1)[C@H](O)COP(=O)([O-])[O-] ZINC001230975014 857352486 /nfs/dbraw/zinc/35/24/86/857352486.db2.gz OQPZRRROGWZCQD-SNVBAGLBSA-N -2 0 356.227 0.225 20 0 FCADRL COC(=O)/C=C/c1cccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001231012806 857354071 /nfs/dbraw/zinc/35/40/71/857354071.db2.gz OFPCUUMJGAYNRS-VYBLIETJSA-N -2 0 352.295 0.315 20 0 FCADRL COc1ccc(C(C)=O)c(O)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001231326756 857358912 /nfs/dbraw/zinc/35/89/12/857358912.db2.gz IASKNPLFMMNADO-UFBFGSQYSA-N -2 0 356.283 0.045 20 0 FCADRL COC(=O)c1c(F)cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1F ZINC001233913237 857391852 /nfs/dbraw/zinc/39/18/52/857391852.db2.gz MCIXDVCXGIUMBU-UPONEAKYSA-N -2 0 362.237 0.193 20 0 FCADRL COC(=O)c1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccc1Cl ZINC001233971944 857393778 /nfs/dbraw/zinc/39/37/78/857393778.db2.gz IKXLXSNRYKMJIS-LDYMZIIASA-N -2 0 360.702 0.568 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1nc(Cl)nc2c1CCCC2)[C@@H](O)C(=O)[O-] ZINC001234065399 857394804 /nfs/dbraw/zinc/39/48/04/857394804.db2.gz VBPTYFVYYNCCDR-GMSGAONNSA-N -2 0 358.734 0.451 20 0 FCADRL COc1c(Cl)ccc(F)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234328130 857401329 /nfs/dbraw/zinc/40/13/29/857401329.db2.gz MIAHIWYYIDFDDG-MLUIRONXSA-N -2 0 350.682 0.930 20 0 FCADRL COc1cc(C(C)=O)c(C)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234957012 857416802 /nfs/dbraw/zinc/41/68/02/857416802.db2.gz VUNSWVYBVOUFBJ-QMTHXVAHSA-N -2 0 354.311 0.648 20 0 FCADRL O=C([N-]CC[N-]S(=O)(=O)CC(F)(F)F)C(F)(F)Br ZINC001253261012 857875641 /nfs/dbraw/zinc/87/56/41/857875641.db2.gz LTOMIEVIHZJEML-UHFFFAOYSA-N -2 0 363.102 0.572 20 0 FCADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cnc(OC3COC3)nc2)c1 ZINC001260209489 858354009 /nfs/dbraw/zinc/35/40/09/858354009.db2.gz HRFDYGHPCOPEFL-UHFFFAOYSA-N -2 0 369.330 0.892 20 0 FCADRL COC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260210341 858355157 /nfs/dbraw/zinc/35/51/57/858355157.db2.gz VNQIUDLJNJWGQM-UHFFFAOYSA-N -2 0 357.319 0.845 20 0 FCADRL CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)c1cnccn1 ZINC001260230947 858358316 /nfs/dbraw/zinc/35/83/16/858358316.db2.gz NMMWBEABGZPRLL-CYBMUJFWSA-N -2 0 365.367 0.758 20 0 FCADRL O=P([O-])([O-])OCCNS(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261075948 858443640 /nfs/dbraw/zinc/44/36/40/858443640.db2.gz VYXLYUBZXZNMIF-UHFFFAOYSA-N -2 0 357.668 0.264 20 0 FCADRL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)NCc1nc(=O)o[n-]1 ZINC001319721969 867984469 /nfs/dbraw/zinc/98/44/69/867984469.db2.gz RCLUOLUXOHUMKC-UHFFFAOYSA-N -2 0 362.367 0.818 20 0 FCADRL O=C(NCc1nc(=O)o[n-]1)c1cccc(I)c1[O-] ZINC001320407045 868159968 /nfs/dbraw/zinc/15/99/68/868159968.db2.gz RUIMEBULWLLKMW-UHFFFAOYSA-N -2 0 361.095 0.603 20 0 FCADRL O=c1nc(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2F)[n-]o1 ZINC001343484087 870451588 /nfs/dbraw/zinc/45/15/88/870451588.db2.gz ITUUUFZVGHWLDB-UHFFFAOYSA-N -2 0 370.131 0.882 20 0 FCADRL O=C([O-])CCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC001329216653 871892428 /nfs/dbraw/zinc/89/24/28/871892428.db2.gz NLTCNPASCWRJDY-UHFFFAOYSA-N -2 0 361.397 0.175 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001332148573 873392475 /nfs/dbraw/zinc/39/24/75/873392475.db2.gz MSZCRZGFZQHIDA-IVZWLZJFSA-N -2 0 352.309 0.647 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)cn1 ZINC001610968634 970817922 /nfs/dbraw/zinc/81/79/22/970817922.db2.gz ICMVAVYKRIWLQE-UHFFFAOYSA-N -2 0 367.383 0.874 20 0 FCADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)NCCNC(=O)C2CC2)c1F ZINC000322347692 970875019 /nfs/dbraw/zinc/87/50/19/970875019.db2.gz FCXLHSNLQQDEFP-UHFFFAOYSA-N -2 0 364.782 0.982 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cn2)cc1C(N)=O ZINC000324681826 971147474 /nfs/dbraw/zinc/14/74/74/971147474.db2.gz PHYLNTXSPJOVAA-UHFFFAOYSA-N -2 0 351.340 0.688 20 0 FCADRL Cc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1-n1cnnn1 ZINC000326880301 971340241 /nfs/dbraw/zinc/34/02/41/971340241.db2.gz GNQREZAXSJICCT-UHFFFAOYSA-N -2 0 363.359 0.053 20 0 FCADRL O=C([O-])COCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC001595108097 951896584 /nfs/dbraw/zinc/89/65/84/951896584.db2.gz HMBNBUQBVXHLAL-UHFFFAOYSA-N -2 0 366.355 0.317 20 0 FCADRL CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)[N-]OCC(F)F)C1 ZINC001602893474 971811201 /nfs/dbraw/zinc/81/12/01/971811201.db2.gz YBMSMNRKRPRHIL-CYBMUJFWSA-N -2 0 354.306 0.390 20 0 FCADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C1 ZINC001589272657 953426523 /nfs/dbraw/zinc/42/65/23/953426523.db2.gz OIHPPCXFYUQFCC-QWRGUYRKSA-N -2 0 370.427 0.825 20 0 FCADRL O=C([O-])[C@@H](NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)c1ccc(F)cc1 ZINC001594716113 956927535 /nfs/dbraw/zinc/92/75/35/956927535.db2.gz KZGJPZDQMLKWNI-ZDUSSCGKSA-N -2 0 372.312 0.961 20 0 FCADRL COCCN(CCC(=O)[O-])C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC001594008349 956984355 /nfs/dbraw/zinc/98/43/55/956984355.db2.gz YFLNMXGVKGREMA-UHFFFAOYSA-N -2 0 374.415 0.206 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC[C@@H](C)[C@H](C(=O)[O-])C3)cc2=O)n1 ZINC001594305330 957963305 /nfs/dbraw/zinc/96/33/05/957963305.db2.gz ANALHMUQSBIUPC-BXKDBHETSA-N -2 0 359.386 0.755 20 0 FCADRL CC(=O)c1cc(F)c([O-])c(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)c1 ZINC001588528125 958880054 /nfs/dbraw/zinc/88/00/54/958880054.db2.gz SDXQCDMXYBMZNZ-JTQLQIEISA-N -2 0 352.318 0.996 20 0 FCADRL Cc1nnc(CC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])o1 ZINC001594490385 959692287 /nfs/dbraw/zinc/69/22/87/959692287.db2.gz DAWZWILXPNRVEZ-GMSGAONNSA-N -2 0 364.280 0.043 20 0 FCADRL Cc1ncc(CC(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])o1 ZINC001574426448 961365424 /nfs/dbraw/zinc/36/54/24/961365424.db2.gz GWOVSHHJAPSHSN-ONGXEEELSA-N -2 0 363.292 0.648 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ncccc1F ZINC001574649192 962411870 /nfs/dbraw/zinc/41/18/70/962411870.db2.gz XXWRFLUTNDDHNZ-SCZZXKLOSA-N -2 0 363.267 0.957 20 0 FCADRL C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cnc(C(=O)[O-])cn2)C1=O ZINC001610053513 970646723 /nfs/dbraw/zinc/64/67/23/970646723.db2.gz BZCTUFSPXPIEBI-MRXNPFEDSA-N -2 0 355.310 0.287 20 0 FCADRL COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H](C)CC(=O)[O-])cc2)[n-]1 ZINC001604333920 973022067 /nfs/dbraw/zinc/02/20/67/973022067.db2.gz JBWAYUYXJCOMCO-JTQLQIEISA-N -2 0 361.354 0.474 20 0 FCADRL CC(C)c1ccc(N2CC[C@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])C2=O)cc1 ZINC001591960019 976539607 /nfs/dbraw/zinc/53/96/07/976539607.db2.gz PJIGETSXGSRWRX-CYBMUJFWSA-N -2 0 368.411 0.694 20 0 FCADRL CC(C)n1ncc2c1C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)CC2 ZINC001592163039 977047577 /nfs/dbraw/zinc/04/75/77/977047577.db2.gz JCMPBGGGNHMGTF-SNVBAGLBSA-N -2 0 354.388 0.986 20 0 FCADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccccc1NC(=O)C1CC1 ZINC001592359574 977842096 /nfs/dbraw/zinc/84/20/96/977842096.db2.gz HKRVEEWNJKCPSF-VIFPVBQESA-N -2 0 354.384 0.951 20 0 FCADRL C[C@H](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC001592371962 977899179 /nfs/dbraw/zinc/89/91/79/977899179.db2.gz WQKMFTKOAZLQLH-GHMZBOCLSA-N -2 0 359.404 0.479 20 0 FCADRL C[C@H](CNC(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)C(=O)[O-] ZINC001592676575 979096116 /nfs/dbraw/zinc/09/61/16/979096116.db2.gz ROYXIWXUJCCEGL-SNVBAGLBSA-N -2 0 372.399 0.206 20 0 FCADRL C[C@@](CO)(CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)CC(=O)[O-] ZINC001592728210 979235293 /nfs/dbraw/zinc/23/52/93/979235293.db2.gz CVEIFNUMZVTOIE-ZDUSSCGKSA-N -2 0 365.791 0.790 20 0 FCADRL C[C@](CO)(CNS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-])CC(=O)[O-] ZINC001592729872 979245897 /nfs/dbraw/zinc/24/58/97/979245897.db2.gz SXMJBFASPOVJFN-CYBMUJFWSA-N -2 0 365.791 0.790 20 0 FCADRL CC[C@](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)(C(=O)[O-])c1ccccc1 ZINC001595145416 979612220 /nfs/dbraw/zinc/61/22/20/979612220.db2.gz FIKIRMMNONRNPO-GOSISDBHSA-N -2 0 369.381 0.620 20 0 FCADRL CC[C@@](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)(C(=O)[O-])c1ccccc1 ZINC001595145417 979612464 /nfs/dbraw/zinc/61/24/64/979612464.db2.gz FIKIRMMNONRNPO-SFHVURJKSA-N -2 0 369.381 0.620 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001593011230 980245894 /nfs/dbraw/zinc/24/58/94/980245894.db2.gz OPGBHXMKPIDXME-LPEHRKFASA-N -2 0 350.437 0.483 20 0 FCADRL C[C@@H](NC(=O)CSc1n[nH]c(=O)[n-]1)c1ccc(OCC(=O)[O-])cc1 ZINC001593035907 980310355 /nfs/dbraw/zinc/31/03/55/980310355.db2.gz AKOUMKQUNLEHTR-MRVPVSSYSA-N -2 0 352.372 0.943 20 0 FCADRL C[C@@H](NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593052703 980356884 /nfs/dbraw/zinc/35/68/84/980356884.db2.gz FPZVYQCDANBOPP-MGAJPHDKSA-N -2 0 356.419 0.989 20 0 FCADRL CCC[C@@H](O)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C)C(=O)[O-] ZINC001595607042 981598399 /nfs/dbraw/zinc/59/83/99/981598399.db2.gz CRTVIOKNLDWDEU-PWSUYJOCSA-N -2 0 363.363 0.725 20 0 FCADRL CCC[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-])C(=O)[O-] ZINC001595607441 981601734 /nfs/dbraw/zinc/60/17/34/981601734.db2.gz FWJVSLPOYZJPSW-GXSJLCMTSA-N -2 0 365.791 0.931 20 0 FCADRL CCC[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)[O-] ZINC001595608662 981614097 /nfs/dbraw/zinc/61/40/97/981614097.db2.gz LMNJRASLTUGBTM-RDDDGLTNSA-N -2 0 367.326 0.556 20 0 FCADRL CCC[C@H](O)[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCCCC1)C(=O)[O-] ZINC001595609363 981620274 /nfs/dbraw/zinc/62/02/74/981620274.db2.gz UYKQOHCKKDGBAI-WDEREUQCSA-N -2 0 351.421 0.555 20 0 FCADRL CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C ZINC001595003811 982916543 /nfs/dbraw/zinc/91/65/43/982916543.db2.gz GOBRJUVHHVWMAV-NXEZZACHSA-N -2 0 366.436 0.989 20 0 FCADRL CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001596535261 984366998 /nfs/dbraw/zinc/36/69/98/984366998.db2.gz KHVVTAGICRQRCX-NSHDSACASA-N -2 0 369.355 0.221 20 0 FCADRL CCOC(=O)CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1C)C(=O)[O-] ZINC001596613887 984577726 /nfs/dbraw/zinc/57/77/26/984577726.db2.gz PNHQCGHJIISPLA-NSHDSACASA-N -2 0 373.383 0.768 20 0 FCADRL CCOC(=O)c1[nH]c(C)c(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1C ZINC001596690730 984796429 /nfs/dbraw/zinc/79/64/29/984796429.db2.gz OIOZCGSLAZAHDY-UHFFFAOYSA-N -2 0 374.415 0.979 20 0 FCADRL C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)cnc1Cl)C(=O)[O-] ZINC001599900242 984808613 /nfs/dbraw/zinc/80/86/13/984808613.db2.gz FONORSBTXYPBBX-WDSKDSINSA-N -2 0 370.214 0.645 20 0 FCADRL CCOC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001596740421 985048881 /nfs/dbraw/zinc/04/88/81/985048881.db2.gz IOPQYKJCHRDIPX-UHFFFAOYSA-N -2 0 360.373 0.552 20 0 FCADRL CC(=O)N[C@H](CC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])c1ccccc1 ZINC001589110814 985345758 /nfs/dbraw/zinc/34/57/58/985345758.db2.gz DXTDOQRKPQZNTD-MISXGVKJSA-N -2 0 370.427 0.809 20 0 FCADRL CC(=O)N[C@H](CCC(C)C)C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC001589115649 985366606 /nfs/dbraw/zinc/36/66/06/985366606.db2.gz OEUWMQWCVQNDEL-CKYFFXLPSA-N -2 0 350.437 0.483 20 0 FCADRL CC(=O)NCCN(CC(=O)Nc1cc(C(=O)[O-])ccc1C)[C@H](C)C(=O)[O-] ZINC001589139764 985445664 /nfs/dbraw/zinc/44/56/64/985445664.db2.gz FXILXMDQUMYOQG-LLVKDONJSA-N -2 0 365.386 0.543 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NC1CC(CC(=O)[O-])C1 ZINC001599941005 985454719 /nfs/dbraw/zinc/45/47/19/985454719.db2.gz CNHXQXMUOSAGDE-UHFFFAOYSA-N -2 0 357.370 0.860 20 0 FCADRL CC(=O)N[C@H](CC1CCC1)C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001589166628 985516644 /nfs/dbraw/zinc/51/66/44/985516644.db2.gz ZSSIUQHHOVSCON-LLVKDONJSA-N -2 0 372.399 0.786 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cnn1Cc1ccccc1 ZINC001599981840 986174064 /nfs/dbraw/zinc/17/40/64/986174064.db2.gz DROVQDAKNCUTMY-UHFFFAOYSA-N -2 0 351.384 0.774 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCCCC2)[C@@H](C(=O)[O-])[C@H](C)O1 ZINC001594549132 986245568 /nfs/dbraw/zinc/24/55/68/986245568.db2.gz AQWDMWJWQZAQNL-GRYCIOLGSA-N -2 0 363.432 0.914 20 0 FCADRL C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)C(=O)NCCC(=O)[O-] ZINC001594563305 986343369 /nfs/dbraw/zinc/34/33/69/986343369.db2.gz USXYIONZTNAMDV-LLVKDONJSA-N -2 0 363.370 0.013 20 0 FCADRL CCOc1ccc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])cn1 ZINC001597062609 986558529 /nfs/dbraw/zinc/55/85/29/986558529.db2.gz XJXQIIUCZQYKMX-UHFFFAOYSA-N -2 0 357.369 0.754 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001589450090 986835691 /nfs/dbraw/zinc/83/56/91/986835691.db2.gz AJUYRBVSDOWYGS-TUAOUCFPSA-N -2 0 368.411 0.595 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(-n2cccn2)cc1 ZINC001589452651 986849667 /nfs/dbraw/zinc/84/96/67/986849667.db2.gz LZXWBIAFZRCJGN-RYUDHWBXSA-N -2 0 365.411 0.970 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1Br ZINC001589452781 986851842 /nfs/dbraw/zinc/85/18/42/986851842.db2.gz APKUSZRBRILAQZ-NTSWFWBYSA-N -2 0 368.209 0.351 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]C(=O)Cn2cc(C(=O)[O-])cn2)c(C)c1 ZINC001597136600 986874794 /nfs/dbraw/zinc/87/47/94/986874794.db2.gz ZZBJKEKEOWBPQC-UHFFFAOYSA-N -2 0 367.383 0.794 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(-n2cc[nH]c2=O)c1 ZINC001589454576 986881746 /nfs/dbraw/zinc/88/17/46/986881746.db2.gz OZRIICZCLTXMGC-UWVGGRQHSA-N -2 0 367.383 0.747 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc2c1CC(=O)CC2 ZINC001589454826 986885174 /nfs/dbraw/zinc/88/51/74/986885174.db2.gz RRGLSIRLASYSIV-UWVGGRQHSA-N -2 0 353.396 0.913 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC001589454886 986886849 /nfs/dbraw/zinc/88/68/49/986886849.db2.gz YAEUUNWVHMFCHY-QXEWZRGKSA-N -2 0 363.432 0.910 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC001589454982 986889478 /nfs/dbraw/zinc/88/94/78/986889478.db2.gz TXMVKUPKVXGIMT-JGVFFNPUSA-N -2 0 355.372 0.448 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1nn(C)c2ccccc12 ZINC001589455083 986890121 /nfs/dbraw/zinc/89/01/21/986890121.db2.gz ZKWOJOHVSQDGFT-VHSXEESVSA-N -2 0 353.400 0.671 20 0 FCADRL C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001594662089 986941626 /nfs/dbraw/zinc/94/16/26/986941626.db2.gz XVUSAFFJWYMTOQ-RDDDGLTNSA-N -2 0 363.388 0.990 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1ccc(Br)cc1 ZINC001589490357 987054727 /nfs/dbraw/zinc/05/47/27/987054727.db2.gz ANGKSHUVEFMFNE-ZETCQYMHSA-N -2 0 350.190 0.911 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001589494363 987070658 /nfs/dbraw/zinc/07/06/58/987070658.db2.gz IZHAAZSQLCLDRG-RKDXNWHRSA-N -2 0 374.802 0.612 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC001589495256 987074594 /nfs/dbraw/zinc/07/45/94/987074594.db2.gz ODADQKSKGBABDU-OPRDCNLKSA-N -2 0 364.420 0.599 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC001589496439 987078754 /nfs/dbraw/zinc/07/87/54/987078754.db2.gz WMDROWGAUKDSOB-BDAKNGLRSA-N -2 0 374.802 0.612 20 0 FCADRL CC[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC001597336396 987474274 /nfs/dbraw/zinc/47/42/74/987474274.db2.gz NLVVUEOIMLBHSH-BBBLOLIVSA-N -2 0 366.436 0.845 20 0 FCADRL CCc1cc(=O)n2[n-]c(NS(=O)(=O)c3ccc(C(=O)[O-])s3)nc2n1 ZINC001597424625 987748628 /nfs/dbraw/zinc/74/86/28/987748628.db2.gz VCVUAXUENXXUQQ-UHFFFAOYSA-N -2 0 369.384 0.541 20 0 FCADRL CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-])C(=O)[O-] ZINC001599794651 988075682 /nfs/dbraw/zinc/07/56/82/988075682.db2.gz RGCKQNKDINMFNC-ZCFIWIBFSA-N -2 0 368.820 0.918 20 0 FCADRL CSCc1nc2ccccc2n1CC(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001599804718 988236052 /nfs/dbraw/zinc/23/60/52/988236052.db2.gz AQOCJQBZCGCKLM-UHFFFAOYSA-N -2 0 371.440 0.820 20 0 FCADRL CSc1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)ccn1 ZINC001599807194 988274785 /nfs/dbraw/zinc/27/47/85/988274785.db2.gz JVKFLPWKTLOLCG-UHFFFAOYSA-N -2 0 359.429 0.575 20 0 FCADRL CCc1nc([N-]S(=O)(=O)c2cc(C(=O)OC)sc2C(=O)[O-])no1 ZINC001597685205 988829163 /nfs/dbraw/zinc/82/91/63/988829163.db2.gz GJZVIDBEQKFEHM-UHFFFAOYSA-N -2 0 361.357 0.979 20 0 FCADRL CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)[N-]OCCCC(=O)[O-] ZINC001590018297 989000191 /nfs/dbraw/zinc/00/01/91/989000191.db2.gz KHATYXISGUQXQF-NSHDSACASA-N -2 0 373.406 0.415 20 0 FCADRL CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001597722965 989004472 /nfs/dbraw/zinc/00/44/72/989004472.db2.gz SFJPHMXCMDHILV-UHFFFAOYSA-N -2 0 351.384 0.941 20 0 FCADRL CCc1noc(CCCC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC001597749083 989140916 /nfs/dbraw/zinc/14/09/16/989140916.db2.gz UQPHTWNTIMNGPX-UHFFFAOYSA-N -2 0 374.419 0.112 20 0 FCADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001597779742 989273505 /nfs/dbraw/zinc/27/35/05/989273505.db2.gz HZLPITNRSNHFIT-XLKFXECMSA-N -2 0 359.356 0.262 20 0 FCADRL C[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001599871471 989356966 /nfs/dbraw/zinc/35/69/66/989356966.db2.gz BTOCRAHZGAPOEI-VDTYLAMSSA-N -2 0 357.793 0.343 20 0 FCADRL CC(C)(C)OC(=O)NCC1(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC1 ZINC001590162309 989467688 /nfs/dbraw/zinc/46/76/88/989467688.db2.gz JHHAUHOQLDBFFC-UHFFFAOYSA-N -2 0 364.420 0.602 20 0 FCADRL CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3cc(C(=O)[O-])n(C)n3)ccc21 ZINC001597837447 989528814 /nfs/dbraw/zinc/52/88/14/989528814.db2.gz ZMYKPKCQDGWCDV-UHFFFAOYSA-N -2 0 366.355 0.847 20 0 FCADRL CC(C)(C)O[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC2(C(=O)[O-])CCC2)C1 ZINC001590398626 989931267 /nfs/dbraw/zinc/93/12/67/989931267.db2.gz KDZANYYZCMBXJV-MNOVXSKESA-N -2 0 363.432 0.914 20 0 FCADRL CCn1ncc(C(=O)[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)n1 ZINC001597953767 989954239 /nfs/dbraw/zinc/95/42/39/989954239.db2.gz SFIHDOCUYGAFIA-UHFFFAOYSA-N -2 0 356.335 0.183 20 0 FCADRL CCn1[n-]nnc1=NC(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001597982754 990054672 /nfs/dbraw/zinc/05/46/72/990054672.db2.gz SHIMPXOBIATGHO-WDEREUQCSA-N -2 0 366.328 0.725 20 0 FCADRL CC(C)(C)n1cc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])nn1 ZINC001590593427 990245546 /nfs/dbraw/zinc/24/55/46/990245546.db2.gz IXEHFIHVJDECBP-UHFFFAOYSA-N -2 0 358.401 0.912 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21)C(=O)[O-] ZINC001590798162 990619036 /nfs/dbraw/zinc/61/90/36/990619036.db2.gz MMOWKXYLICLPBZ-GMTAPVOTSA-N -2 0 360.432 0.238 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)[O-] ZINC001590798349 990621712 /nfs/dbraw/zinc/62/17/12/990621712.db2.gz TXPVCFJXBOLGDC-LLVKDONJSA-N -2 0 368.411 0.596 20 0 FCADRL CC(C)(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)Cc1ccccc1)C(=O)[O-] ZINC001590798855 990625652 /nfs/dbraw/zinc/62/56/52/990625652.db2.gz GEUVLSZJBHZHOY-RYUDHWBXSA-N -2 0 359.400 0.073 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1cccc(Cn2cncn2)c1)C(=O)[O-] ZINC001590799121 990626837 /nfs/dbraw/zinc/62/68/37/990626837.db2.gz LGDXXHIGKBHXBS-UHFFFAOYSA-N -2 0 366.399 0.497 20 0 FCADRL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])co2)c1 ZINC001598163283 990668314 /nfs/dbraw/zinc/66/83/14/990668314.db2.gz SDAQPXFOAAIUDE-UHFFFAOYSA-N -2 0 366.351 0.798 20 0 FCADRL CC(C)[C@@H](CNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21)C(=O)[O-] ZINC001590981987 991144317 /nfs/dbraw/zinc/14/43/17/991144317.db2.gz AEZVTMRAAONNHH-ZWNOBZJWSA-N -2 0 364.354 0.338 20 0 FCADRL COc1ccccc1C[C@H](CNC(=O)c1cnc(C(=O)[O-])cn1)C(=O)[O-] ZINC001599707566 991315805 /nfs/dbraw/zinc/31/58/05/991315805.db2.gz OKHFLDBSUIEREU-LLVKDONJSA-N -2 0 359.338 0.857 20 0 FCADRL CN(CC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-])[C@@H]1CCSC1 ZINC001598396550 991659775 /nfs/dbraw/zinc/65/97/75/991659775.db2.gz LPSNQRMQYHGVPV-SSDOTTSWSA-N -2 0 365.458 0.084 20 0 FCADRL CN(CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)OC(C)(C)C ZINC001598396835 991662794 /nfs/dbraw/zinc/66/27/94/991662794.db2.gz SCGXDZMBRZIOQW-UHFFFAOYSA-N -2 0 352.409 0.410 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N1CCc2cc(F)cc(C(=O)[O-])c2C1 ZINC001598470309 992015661 /nfs/dbraw/zinc/01/56/61/992015661.db2.gz GYCPJOLWBLKCOR-UHFFFAOYSA-N -2 0 360.363 0.533 20 0 FCADRL CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001591213824 992066918 /nfs/dbraw/zinc/06/69/18/992066918.db2.gz FRMVIGNHNNIOTF-UHFFFAOYSA-N -2 0 370.427 0.883 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)NC2(C(=O)[O-])CCSCC2)cn1 ZINC001599761324 992126045 /nfs/dbraw/zinc/12/60/45/992126045.db2.gz WJRLMNADYQCMQV-UHFFFAOYSA-N -2 0 359.429 0.533 20 0 FCADRL CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1cc(F)c([O-])c(Cl)c1)C(=O)[O-] ZINC001599763124 992149095 /nfs/dbraw/zinc/14/90/95/992149095.db2.gz SBIJCNIRSXHOIG-TVQRCGJNSA-N -2 0 365.766 0.802 20 0 FCADRL CS(=O)(=O)c1ccc(NC(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(=O)[O-])cc1 ZINC001599770918 992243428 /nfs/dbraw/zinc/24/34/28/992243428.db2.gz MBQWYMAZAINNRK-JOYOIKCWSA-N -2 0 370.383 0.872 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cn1 ZINC001599772607 992263614 /nfs/dbraw/zinc/26/36/14/992263614.db2.gz CXAHOMWLKTWURU-UHFFFAOYSA-N -2 0 357.369 0.379 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)[O-])cc1=O ZINC001591505626 992650544 /nfs/dbraw/zinc/65/05/44/992650544.db2.gz JGPUADOUXKTALQ-GXTWGEPZSA-N -2 0 353.419 0.761 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)N[C@H](C[C@H]2CCCOC2)C(=O)[O-])cc1=O ZINC001591505632 992650571 /nfs/dbraw/zinc/65/05/71/992650571.db2.gz JGPUADOUXKTALQ-TZMCWYRMSA-N -2 0 353.419 0.761 20 0 FCADRL CN1C(=O)c2ccc([N-]S(=O)(=O)c3cncc(C(=O)[O-])c3)cc2C1=O ZINC001598582306 993345330 /nfs/dbraw/zinc/34/53/30/993345330.db2.gz IIRHOUBYDFCNEG-UHFFFAOYSA-N -2 0 361.335 0.806 20 0 FCADRL COc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c(C(=O)[O-])c1 ZINC001599586168 993616087 /nfs/dbraw/zinc/61/60/87/993616087.db2.gz NNZHJTHEJSCHPJ-JOYOIKCWSA-N -2 0 364.354 0.901 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)c(CC(=O)[O-])c1 ZINC001599609564 993933544 /nfs/dbraw/zinc/93/35/44/993933544.db2.gz JIQUWJIXEKLLFK-BXKDBHETSA-N -2 0 357.384 0.806 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)[C@@](C)(OC)C2CC2)c(CC(=O)[O-])c1 ZINC001599611510 993960600 /nfs/dbraw/zinc/96/06/00/993960600.db2.gz LTXRIBXKRWPOBQ-INIZCTEOSA-N -2 0 371.411 0.942 20 0 FCADRL COc1ccc(S(=O)(=O)NC[C@@H](C(=O)[O-])C(C)C)c(CC(=O)[O-])c1 ZINC001599615150 994004712 /nfs/dbraw/zinc/00/47/12/994004712.db2.gz PVGPSCLEFNEJFS-GFCCVEGCSA-N -2 0 359.400 0.957 20 0 FCADRL C[C@H](NC(=O)c1ccc(F)cc1[N-]S(=O)(=O)C[C@@H]1CCCO1)C(=O)[O-] ZINC001593168606 994015514 /nfs/dbraw/zinc/01/55/14/994015514.db2.gz PKQBNUXTTUOUCD-ONGXEEELSA-N -2 0 374.390 0.949 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1cccs1 ZINC001593179397 994062858 /nfs/dbraw/zinc/06/28/58/994062858.db2.gz RAEHRNQJTHCTLA-XHNCKOQMSA-N -2 0 362.429 0.422 20 0 FCADRL CNS(=O)(=O)c1cc(C(=O)N2CC[C@H](OC)C[C@@H]2C(=O)[O-])ccc1F ZINC001598673515 994799803 /nfs/dbraw/zinc/79/98/03/994799803.db2.gz RJLZDYZQGCBMPM-CMPLNLGQSA-N -2 0 374.390 0.438 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])c1 ZINC001599682467 995004184 /nfs/dbraw/zinc/00/41/84/995004184.db2.gz AFLYSZPWDXDVTH-ZJWNCGCPSA-N -2 0 371.411 0.525 20 0 FCADRL C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(=O)C(C)(C)C(=O)[O-] ZINC001593584889 995699699 /nfs/dbraw/zinc/69/96/99/995699699.db2.gz KTPJCLZKDCMFDI-QMMMGPOBSA-N -2 0 358.372 0.678 20 0 FCADRL CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1)C(=O)[O-] ZINC001593624493 995887253 /nfs/dbraw/zinc/88/72/53/995887253.db2.gz OPGCWOLGDQIWIH-PRHODGIISA-N -2 0 370.333 0.842 20 0 FCADRL COC(=O)CC[C@H](NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC001598858079 996654845 /nfs/dbraw/zinc/65/48/45/996654845.db2.gz GFUHMWYJJQFWSM-NSHDSACASA-N -2 0 359.356 0.211 20 0 FCADRL COC(=O)COc1ccc(S(=O)(=O)[N-]c2c(C(=O)[O-])cnn2C)cc1 ZINC001598867344 996715650 /nfs/dbraw/zinc/71/56/50/996715650.db2.gz WPRUAJPTNHJNRP-UHFFFAOYSA-N -2 0 369.355 0.471 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC)cn1 ZINC001598875097 996758479 /nfs/dbraw/zinc/75/84/79/996758479.db2.gz QXLOLXOOJKIAEP-UHFFFAOYSA-N -2 0 369.355 0.564 20 0 FCADRL COc1ccc(C(=O)[O-])c(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)c1 ZINC001599486767 996863390 /nfs/dbraw/zinc/86/33/90/996863390.db2.gz GTJNWMVXNAQAMX-UHFFFAOYSA-N -2 0 350.327 0.703 20 0 FCADRL COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N[C@H](CC(C)C)C(=O)[O-])c1 ZINC001599490234 996924985 /nfs/dbraw/zinc/92/49/85/996924985.db2.gz UVYYESQFGWBLJV-GFCCVEGCSA-N -2 0 352.343 0.947 20 0 FCADRL COc1ccc(C(=O)[O-])c2c1CN(C(=O)CSc1n[nH]c(=O)[n-]1)CC2 ZINC001599494825 997003397 /nfs/dbraw/zinc/00/33/97/997003397.db2.gz RFLISHMWJOQQQY-UHFFFAOYSA-N -2 0 364.383 0.894 20 0 FCADRL COc1cc(C)c(S(=O)(=O)[N-]C(=O)Cn2cc(C(=O)[O-])cn2)cc1C ZINC001599392429 997062451 /nfs/dbraw/zinc/06/24/51/997062451.db2.gz RPBINJFUEBIXHR-UHFFFAOYSA-N -2 0 367.383 0.712 20 0 FCADRL COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)O1 ZINC001598898005 997117691 /nfs/dbraw/zinc/11/76/91/997117691.db2.gz NVMUMHNDXCDKIC-NEPJUHHUSA-N -2 0 371.367 0.051 20 0 FCADRL COC1(C[C@@H](NS(=O)(=O)c2csnc2C(=O)[O-])C(=O)[O-])CCC1 ZINC001599089638 997166308 /nfs/dbraw/zinc/16/63/08/997166308.db2.gz ZWNCORFGBAMNLT-SSDOTTSWSA-N -2 0 364.401 0.532 20 0 FCADRL COc1cc(CC(=O)[O-])cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)c1OC ZINC001599401655 997225125 /nfs/dbraw/zinc/22/51/25/997225125.db2.gz FSZKWGOYHRACKG-JTQLQIEISA-N -2 0 373.383 0.426 20 0 FCADRL COc1ccc([C@H](CC(=O)[O-])NC(=O)CCCc2nnn[n-]2)c(OC)c1 ZINC001599510874 997295721 /nfs/dbraw/zinc/29/57/21/997295721.db2.gz QHKDPMYVKVSOEN-LBPRGKRZSA-N -2 0 363.374 0.872 20 0 FCADRL COC(=O)c1[nH]cc(C(=O)[O-])c1[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC001598911803 997383976 /nfs/dbraw/zinc/38/39/76/997383976.db2.gz BUEVDEVGBHNKBZ-UHFFFAOYSA-N -2 0 362.751 0.687 20 0 FCADRL COc1ccc([C@@H](CO)C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001599516376 997394750 /nfs/dbraw/zinc/39/47/50/997394750.db2.gz MEKPUNVREOPXNG-SNVBAGLBSA-N -2 0 356.356 0.436 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001598922115 997586709 /nfs/dbraw/zinc/58/67/09/997586709.db2.gz AKTNTYYENXEDKA-UHFFFAOYSA-N -2 0 371.367 0.657 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(CCO)c2)c1 ZINC001598923462 997611921 /nfs/dbraw/zinc/61/19/21/997611921.db2.gz KSXCXHYWYDZOPB-UHFFFAOYSA-N -2 0 369.355 0.161 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N(CC(=O)[O-])C2CC2)c1 ZINC001598924364 997627962 /nfs/dbraw/zinc/62/79/62/997627962.db2.gz WVNIIHFILOOCDX-UHFFFAOYSA-N -2 0 357.340 0.409 20 0 FCADRL COc1cc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)ccc1C(=O)[O-] ZINC001599432346 997781644 /nfs/dbraw/zinc/78/16/44/997781644.db2.gz XXVVRMKKIBJUCU-UHFFFAOYSA-N -2 0 350.327 0.703 20 0 FCADRL COC(=O)c1cc(NC(=O)Cn2[n-]c(SC)nc2=O)cc(C(=O)[O-])c1 ZINC001598939715 997942707 /nfs/dbraw/zinc/94/27/07/997942707.db2.gz BPXCUIBMKVGMRX-UHFFFAOYSA-N -2 0 366.355 0.417 20 0 FCADRL COc1ccc(CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c(Cl)c1OC ZINC001599548437 997964524 /nfs/dbraw/zinc/96/45/24/997964524.db2.gz CDSZOBBPTNSHCV-ZETCQYMHSA-N -2 0 365.791 0.819 20 0 FCADRL COc1cc(C(=O)NCC2(C(=O)[O-])CC2)cc([N-]S(C)(=O)=O)c1OC ZINC001599353930 998145200 /nfs/dbraw/zinc/14/52/00/998145200.db2.gz FVGZTVKHDQUKNH-UHFFFAOYSA-N -2 0 372.399 0.670 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CF)C(=O)[O-])c(F)cc1Cl ZINC001598953950 998205793 /nfs/dbraw/zinc/20/57/93/998205793.db2.gz KWRCLQUBVWXTEY-QMMMGPOBSA-N -2 0 357.718 0.967 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2C)cnc1C ZINC001598955146 998226642 /nfs/dbraw/zinc/22/66/42/998226642.db2.gz FCZLWJWIKQYOJY-UHFFFAOYSA-N -2 0 368.371 0.567 20 0 FCADRL COc1ccc(COCCCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1 ZINC001599574263 998415533 /nfs/dbraw/zinc/41/55/33/998415533.db2.gz CVAVUZSWVWTYJL-NSHDSACASA-N -2 0 359.400 0.911 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CCO)c1 ZINC001598968210 998463531 /nfs/dbraw/zinc/46/35/31/998463531.db2.gz NYZCKVCLLCVHEC-UHFFFAOYSA-N -2 0 369.355 0.161 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001598968616 998470502 /nfs/dbraw/zinc/47/05/02/998470502.db2.gz JPXOBFQSFQOILO-MRVPVSSYSA-N -2 0 359.356 0.513 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)NCC[C@@H](C)CC(=O)[O-] ZINC001598968754 998472877 /nfs/dbraw/zinc/47/28/77/998472877.db2.gz VTJWSDCHNXHJMB-SECBINFHSA-N -2 0 373.383 0.951 20 0 FCADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])nn1 ZINC001598982960 998674590 /nfs/dbraw/zinc/67/45/90/998674590.db2.gz QUTWMSYDDDLBQV-UHFFFAOYSA-N -2 0 355.303 0.901 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])n2C)c1 ZINC001599001007 998823060 /nfs/dbraw/zinc/82/30/60/998823060.db2.gz VIHYZLWHQZBVSQ-UHFFFAOYSA-N -2 0 366.351 0.629 20 0 FCADRL COC(=O)c1cncc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC001599009019 998881243 /nfs/dbraw/zinc/88/12/43/998881243.db2.gz CFVKWEBSGLOOGS-UHFFFAOYSA-N -2 0 370.364 0.747 20 0 FCADRL CO[C@@H](C[C@H](NS(=O)(=O)c1ccsc1C(=O)[O-])C(=O)[O-])C1CC1 ZINC001599042702 999129246 /nfs/dbraw/zinc/12/92/46/999129246.db2.gz DEWFNKBXRRGSFN-IUCAKERBSA-N -2 0 363.413 0.993 20 0 FCADRL COCc1cc(Cl)cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000290695885 213983063 /nfs/dbraw/zinc/98/30/63/213983063.db2.gz RPSWUKWYEPPIIR-SECBINFHSA-N -2 0 365.791 0.940 20 0 FCADRL Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1C(=O)OC(C)C ZINC000289774162 213902167 /nfs/dbraw/zinc/90/21/67/213902167.db2.gz QCZKKGPVUJKRIT-LBPRGKRZSA-N -2 0 373.383 0.766 20 0 FCADRL CC(=O)N1CCCc2cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])ccc21 ZINC000368519888 216258055 /nfs/dbraw/zinc/25/80/55/216258055.db2.gz VPQFMWJRDUDKKF-UHFFFAOYSA-N -2 0 370.383 0.146 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])c1C ZINC000278772889 212486257 /nfs/dbraw/zinc/48/62/57/212486257.db2.gz SXVSEMGIOOFCMW-LLVKDONJSA-N -2 0 373.383 0.768 20 0 FCADRL COCCc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1 ZINC000274968601 211940127 /nfs/dbraw/zinc/94/01/27/211940127.db2.gz CARBJXKVSSVBBQ-ZIAGYGMSSA-N -2 0 371.411 0.672 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000274965129 211939681 /nfs/dbraw/zinc/93/96/81/211939681.db2.gz JTBBQPSMKPQKDZ-UHFFFAOYSA-N -2 0 353.299 0.490 20 0 FCADRL Cc1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c2cccnc12 ZINC000274940726 211933874 /nfs/dbraw/zinc/93/38/74/211933874.db2.gz GDXYPBZPGUXKGI-SNVBAGLBSA-N -2 0 352.368 0.997 20 0 FCADRL CC(C)C[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000270493548 211211343 /nfs/dbraw/zinc/21/13/43/211211343.db2.gz MLOONRFTUIIJBR-SECBINFHSA-N -2 0 356.360 0.214 20 0 FCADRL O=C([O-])C1(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCCC1 ZINC000270488929 211209367 /nfs/dbraw/zinc/20/93/67/211209367.db2.gz LPEJXZCXPZWOCY-UHFFFAOYSA-N -2 0 354.344 0.112 20 0 FCADRL COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000278307379 488867081 /nfs/dbraw/zinc/86/70/81/488867081.db2.gz SDXIGPXEHPMPSW-SSDOTTSWSA-N -2 0 351.764 0.802 20 0 FCADRL CS(=O)(=O)c1nnc(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])[n-]1 ZINC000493302677 484468417 /nfs/dbraw/zinc/46/84/17/484468417.db2.gz IBXIFRYSFZDXEA-UHFFFAOYSA-N -2 0 366.334 0.491 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])oc1C ZINC000278574126 488882586 /nfs/dbraw/zinc/88/25/86/488882586.db2.gz CPWIOBKDIHSSSQ-SECBINFHSA-N -2 0 363.344 0.361 20 0 FCADRL CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000320167463 488899567 /nfs/dbraw/zinc/89/95/67/488899567.db2.gz YMULXUQQNGQZBE-UHFFFAOYSA-N -2 0 359.385 0.422 20 0 FCADRL COC(=O)c1ccccc1CS(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000278790678 488896095 /nfs/dbraw/zinc/89/60/95/488896095.db2.gz VCDXYAJZKJFVLS-GFCCVEGCSA-N -2 0 373.383 0.601 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)c1C ZINC000324869706 488907934 /nfs/dbraw/zinc/90/79/34/488907934.db2.gz PIYWGQFPNWYHJZ-UHFFFAOYSA-N -2 0 352.372 0.484 20 0 FCADRL Cc1c(S(=O)(=O)[N-]c2ccc(C(=O)NCC(=O)[O-])cc2)cnn1C ZINC000326518328 488915605 /nfs/dbraw/zinc/91/56/05/488915605.db2.gz WHWZRZDYPSITHU-UHFFFAOYSA-N -2 0 352.372 0.344 20 0 FCADRL Cn1ccc([N-]S(=O)(=O)c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)n1 ZINC000032083908 487768426 /nfs/dbraw/zinc/76/84/26/487768426.db2.gz VSPASGACGDYLMZ-SNVBAGLBSA-N -2 0 364.383 0.658 20 0 FCADRL Cn1cccc1C(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000055574798 488244315 /nfs/dbraw/zinc/24/43/15/488244315.db2.gz LYGDYOIJLREOTO-UHFFFAOYSA-N -2 0 363.395 0.835 20 0 FCADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cn[nH]c2)c(OC)c1OC ZINC000057116656 488266425 /nfs/dbraw/zinc/26/64/25/488266425.db2.gz BJXHXZHKHMMVKA-UHFFFAOYSA-N -2 0 357.344 0.935 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000058124749 488279414 /nfs/dbraw/zinc/27/94/14/488279414.db2.gz COKWWCOFFYHLLT-JTQLQIEISA-N -2 0 359.356 0.444 20 0 FCADRL COCCCNC(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000068406271 488364855 /nfs/dbraw/zinc/36/48/55/488364855.db2.gz ICWROEVCZJZHHU-UHFFFAOYSA-N -2 0 359.404 0.531 20 0 FCADRL CCC[C@@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)C(=O)[O-] ZINC000262659562 488585166 /nfs/dbraw/zinc/58/51/66/488585166.db2.gz LFNQAKKOMBPQFE-SNVBAGLBSA-N -3 0 368.408 0.729 20 0 FCADRL C[C@@H]1CN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)C[C@@H](C(=O)[O-])O1 ZINC000262935982 488600135 /nfs/dbraw/zinc/60/01/35/488600135.db2.gz KPTKLXXQKVBNAS-PELKAZGASA-N -2 0 360.363 0.511 20 0 FCADRL C[C@H](CN(C)S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)C(=O)[O-] ZINC000263458109 488612099 /nfs/dbraw/zinc/61/20/99/488612099.db2.gz CQIQJDZRFUQINV-SSDOTTSWSA-N -2 0 359.795 0.861 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-])sc1Br ZINC000263513802 488613978 /nfs/dbraw/zinc/61/39/78/488613978.db2.gz YWHOZPBCBLYPHD-QMMMGPOBSA-N -2 0 359.223 0.328 20 0 FCADRL C[C@H](CN(C)C(=O)CCn1c(=O)c2ccccc2[n-]c1=S)c1nnn[n-]1 ZINC000274803594 488734973 /nfs/dbraw/zinc/73/49/73/488734973.db2.gz SZEQIXYAONNKEF-SNVBAGLBSA-N -2 0 373.442 0.851 20 0 FCADRL COC(=O)c1ccc(F)cc1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-] ZINC000274940749 488746049 /nfs/dbraw/zinc/74/60/49/488746049.db2.gz GFDHNDDFHHXZIZ-ZETCQYMHSA-N -2 0 363.319 0.066 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000274946026 488746567 /nfs/dbraw/zinc/74/65/67/488746567.db2.gz HDENFDCOSVYBBQ-ZCFIWIBFSA-N -2 0 367.177 0.298 20 0 FCADRL CC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1 ZINC000274949549 488746983 /nfs/dbraw/zinc/74/69/83/488746983.db2.gz AFAPGCRBENHMNG-QWHCGFSZSA-N -2 0 355.368 0.685 20 0 FCADRL C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C3)ccc2O1 ZINC000274949344 488746997 /nfs/dbraw/zinc/74/69/97/488746997.db2.gz ADNIUBQNFVVPEA-WQAKAFBOSA-N -2 0 369.395 0.806 20 0 FCADRL Cc1c(Br)cccc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000274970840 488749442 /nfs/dbraw/zinc/74/94/42/488749442.db2.gz WJVPLHGCJONHAN-QMMMGPOBSA-N -2 0 366.189 0.964 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] ZINC000275009136 488753134 /nfs/dbraw/zinc/75/31/34/488753134.db2.gz PMURUZQGNSOMIU-YFKPBYRVSA-N -2 0 357.171 0.842 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12)C(=O)[O-] ZINC000275023279 488754440 /nfs/dbraw/zinc/75/44/40/488754440.db2.gz SCTLGOAOFPQYEW-LURJTMIESA-N -2 0 361.763 0.670 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000275028650 488754798 /nfs/dbraw/zinc/75/47/98/488754798.db2.gz TUNUHYJQEKSHDZ-JTQLQIEISA-N -2 0 359.356 0.317 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccccc1Br)C(=O)[O-] ZINC000275030199 488754837 /nfs/dbraw/zinc/75/48/37/488754837.db2.gz TZQNOKDHEFTIGB-ZETCQYMHSA-N -2 0 366.189 0.903 20 0 FCADRL C[C@H](CCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000275052361 488756808 /nfs/dbraw/zinc/75/68/08/488756808.db2.gz XHNLSXRBTNXPBA-SSDOTTSWSA-N -2 0 356.360 0.215 20 0 FCADRL Cn1cc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)nc1Cl ZINC000275183221 488769868 /nfs/dbraw/zinc/76/98/68/488769868.db2.gz WUYURAFXELDWSW-NSHDSACASA-N -2 0 351.768 0.014 20 0 FCADRL CC(C)C[C@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000563144559 491221075 /nfs/dbraw/zinc/22/10/75/491221075.db2.gz WUOLLIOOWNDBGV-NSHDSACASA-N -2 0 364.370 0.859 20 0 FCADRL C[C@H]1CCC[C@@H](C(=O)[O-])N1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000275202674 488772176 /nfs/dbraw/zinc/77/21/76/488772176.db2.gz ZCXBMCZNOIRZRK-XVKPBYJWSA-N -2 0 368.371 0.452 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2cc(F)c(F)c(F)c2)CC[C@@H]1C(=O)[O-] ZINC000275206318 488772470 /nfs/dbraw/zinc/77/24/70/488772470.db2.gz ZIAAJZWGVGWBAD-YUMQZZPRSA-N -2 0 367.301 0.900 20 0 FCADRL NC(=O)C[C@H](NS(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161793051 488798813 /nfs/dbraw/zinc/79/88/13/488798813.db2.gz ICTQCYYCCUGGQL-ZETCQYMHSA-N -2 0 369.168 0.195 20 0 FCADRL O=C([O-])COCCNS(=O)(=O)c1ccc(Br)cc1F ZINC000161821991 488798998 /nfs/dbraw/zinc/79/89/98/488798998.db2.gz KZQQDRLMYGOXJL-UHFFFAOYSA-N -2 0 356.169 0.968 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000166499238 488811798 /nfs/dbraw/zinc/81/17/98/488811798.db2.gz WHIBEOGNGCVBMY-SSDOTTSWSA-N -2 0 370.152 0.794 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000170307108 488813341 /nfs/dbraw/zinc/81/33/41/488813341.db2.gz FRYRVGQHSMTRDO-ZETCQYMHSA-N -2 0 366.189 0.903 20 0 FCADRL COC(=O)C[C@@H]1CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)CCO1 ZINC000267931135 488829672 /nfs/dbraw/zinc/82/96/72/488829672.db2.gz ZOIOTXIFSCRSOP-SECBINFHSA-N -2 0 362.342 0.149 20 0 FCADRL CN(CCC(=O)[O-])C(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C)c1 ZINC000428078610 489637442 /nfs/dbraw/zinc/63/74/42/489637442.db2.gz SIICBRMEVHJDPW-UHFFFAOYSA-N -2 0 372.428 0.829 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1C(N)=O ZINC000474387701 489759276 /nfs/dbraw/zinc/75/92/76/489759276.db2.gz HDQPLQUWXQQWKK-UHFFFAOYSA-N -2 0 369.330 0.827 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)c[nH]1 ZINC000476393265 489884691 /nfs/dbraw/zinc/88/46/91/489884691.db2.gz QLAMHVGJNOIYOP-UHFFFAOYSA-N -2 0 359.385 0.621 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1C(N)=O ZINC000477414361 489963293 /nfs/dbraw/zinc/96/32/93/489963293.db2.gz QFFUJSXSWTULJN-UHFFFAOYSA-N -2 0 365.367 0.997 20 0 FCADRL NC(=O)CCOc1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000392205577 490148617 /nfs/dbraw/zinc/14/86/17/490148617.db2.gz JWNSTBFLPKZYML-UHFFFAOYSA-N -2 0 353.356 0.768 20 0 FCADRL O=C([O-])CCC[C@@H](NS(=O)(=O)N1CCc2ccccc2C1)C(=O)[O-] ZINC000392426094 490149854 /nfs/dbraw/zinc/14/98/54/490149854.db2.gz JCWYDUJGDXQTQA-CYBMUJFWSA-N -2 0 356.400 0.587 20 0 FCADRL CN(CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000547456097 490294723 /nfs/dbraw/zinc/29/47/23/490294723.db2.gz PMQIJWVITDNNBN-UHFFFAOYSA-N -2 0 352.162 0.852 20 0 FCADRL O=C([O-])[C@@H](CO)[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000547549836 490314501 /nfs/dbraw/zinc/31/45/01/490314501.db2.gz HJQYAHQFPFCTOV-SSDOTTSWSA-N -2 0 360.132 0.451 20 0 FCADRL COC(=O)c1cc(C)c(C)c(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000547589289 490325415 /nfs/dbraw/zinc/32/54/15/490325415.db2.gz YBCMZGFZONRRQH-NSHDSACASA-N -2 0 373.383 0.686 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[C@@H]1C(=O)[O-] ZINC000547593019 490325724 /nfs/dbraw/zinc/32/57/24/490325724.db2.gz MQLYLZORMMGZFZ-BQBZGAKWSA-N -2 0 364.357 0.452 20 0 FCADRL Cn1cnc2cc(S(=O)(=O)N3CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C3)ccc21 ZINC000547602166 490327769 /nfs/dbraw/zinc/32/77/69/490327769.db2.gz POOVQRJLUFGELA-QWRGUYRKSA-N -2 0 367.383 0.369 20 0 FCADRL COc1cccc(OC)c1S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000547611321 490329865 /nfs/dbraw/zinc/32/98/65/490329865.db2.gz BXLBPRIFAULLLK-AWEZNQCLSA-N -2 0 361.372 0.548 20 0 FCADRL Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000547616267 490331128 /nfs/dbraw/zinc/33/11/28/490331128.db2.gz ZISJNBVQHGMETH-ZDUSSCGKSA-N -2 0 360.344 0.747 20 0 FCADRL C[C@](CNS(=O)(=O)Cc1ccc(F)cc1F)(CC(=O)[O-])C(=O)[O-] ZINC000547614749 490331507 /nfs/dbraw/zinc/33/15/07/490331507.db2.gz GNLCEOIXVISXEA-CYBMUJFWSA-N -2 0 351.327 0.950 20 0 FCADRL Cc1cc(=NC(=O)CSCC(=O)N=c2cc(C)c(C)n[n-]2)[n-]nc1C ZINC000534525624 490376085 /nfs/dbraw/zinc/37/60/85/490376085.db2.gz RWKGLZGFTHMHRM-UHFFFAOYSA-N -2 0 360.443 0.654 20 0 FCADRL CCN(Cc1ccccc1)S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000547931691 490391325 /nfs/dbraw/zinc/39/13/25/490391325.db2.gz GXSBPGLTZYQDGR-HNNXBMFYSA-N -2 0 358.416 0.909 20 0 FCADRL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1C(N)=O ZINC000499332948 490413202 /nfs/dbraw/zinc/41/32/02/490413202.db2.gz AREIOMLPJNJUNK-UHFFFAOYSA-N -2 0 354.344 0.081 20 0 FCADRL CCc1oncc1[N-]S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000509390359 490421902 /nfs/dbraw/zinc/42/19/02/490421902.db2.gz HSQUDKWHOQMFGU-UHFFFAOYSA-N -2 0 353.356 0.852 20 0 FCADRL CCc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1S(N)(=O)=O ZINC000509543350 490437956 /nfs/dbraw/zinc/43/79/56/490437956.db2.gz QRVWAWKVPGJVPD-UHFFFAOYSA-N -2 0 373.412 0.724 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000548205352 490439027 /nfs/dbraw/zinc/43/90/27/490439027.db2.gz ULJKURBTLBGSSU-ZETCQYMHSA-N -2 0 370.152 0.794 20 0 FCADRL CC1(C)C(=O)Nc2ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc21 ZINC000548215214 490442571 /nfs/dbraw/zinc/44/25/71/490442571.db2.gz LPAUSTGYESGLRQ-MRVPVSSYSA-N -2 0 370.383 0.370 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cn1 ZINC000484795280 490468756 /nfs/dbraw/zinc/46/87/56/490468756.db2.gz NYQIFSHSUYXRSX-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1cnn(Cc2ccccc2)c1)C(=O)[O-] ZINC000548528063 490495090 /nfs/dbraw/zinc/49/50/90/490495090.db2.gz UVICYFAWCBCPEV-LBPRGKRZSA-N -2 0 353.356 0.138 20 0 FCADRL CC(C)n1ncc2cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])ccc21 ZINC000548536007 490499471 /nfs/dbraw/zinc/49/94/71/490499471.db2.gz OFYWXWSYXMFTMC-NSHDSACASA-N -2 0 355.372 0.823 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000548538490 490500665 /nfs/dbraw/zinc/50/06/65/490500665.db2.gz PIFAHGXQLAWBQU-UHFFFAOYSA-N -2 0 370.152 0.748 20 0 FCADRL COCc1ccccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000548573167 490508604 /nfs/dbraw/zinc/50/86/04/490508604.db2.gz GAWRZLCKUZTMQS-RYUDHWBXSA-N -2 0 357.384 0.629 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)[O-] ZINC000485199596 490512510 /nfs/dbraw/zinc/51/25/10/490512510.db2.gz AFDUVEFJBSRSPX-JTQLQIEISA-N -2 0 370.408 0.904 20 0 FCADRL COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000548594924 490514496 /nfs/dbraw/zinc/51/44/96/490514496.db2.gz UCPHAHGXSTZRCJ-BFVZDQMLSA-N -2 0 365.404 0.203 20 0 FCADRL NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000524614499 490546887 /nfs/dbraw/zinc/54/68/87/490546887.db2.gz YZWYRIMSIOHYAZ-UHFFFAOYSA-N -2 0 356.381 0.833 20 0 FCADRL COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)cc2)c1 ZINC000537197849 490659900 /nfs/dbraw/zinc/65/99/00/490659900.db2.gz HKCIGIQUFFGHOY-UHFFFAOYSA-N -2 0 366.395 0.924 20 0 FCADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)c1 ZINC000512746162 490696407 /nfs/dbraw/zinc/69/64/07/490696407.db2.gz CJVBFJQNRBAULU-UHFFFAOYSA-N -2 0 356.335 0.315 20 0 FCADRL Cc1cc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000540426798 490822451 /nfs/dbraw/zinc/82/24/51/490822451.db2.gz JDFWNDUXKFQCHS-QMMMGPOBSA-N -2 0 356.346 0.277 20 0 FCADRL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)c1C(N)=O ZINC000544844463 490983462 /nfs/dbraw/zinc/98/34/62/490983462.db2.gz MLAMKRXLPRTQEO-UHFFFAOYSA-N -2 0 372.334 0.220 20 0 FCADRL COC(=O)Cn1ncc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1C ZINC000569752157 491188379 /nfs/dbraw/zinc/18/83/79/491188379.db2.gz KBLTXNRYXDUVMK-UHFFFAOYSA-N -2 0 367.383 0.792 20 0 FCADRL NC(=O)CC[C@@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000573124712 491414440 /nfs/dbraw/zinc/41/44/40/491414440.db2.gz HINLQMGBMSGNNI-ZCFIWIBFSA-N -2 0 358.269 0.240 20 0 FCADRL NC(=O)CC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000574329311 491489410 /nfs/dbraw/zinc/48/94/10/491489410.db2.gz GEEQVWGTXFWVIK-SSDOTTSWSA-N -2 0 356.734 0.615 20 0 FCADRL C[C@](CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2)(CC(=O)[O-])C(=O)[O-] ZINC000574619576 491508713 /nfs/dbraw/zinc/50/87/13/491508713.db2.gz UHMJWWMALJWQPC-CQSZACIVSA-N -2 0 356.356 0.025 20 0 FCADRL CC(C)(C)c1nc(=NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)s[n-]1 ZINC000567635496 491519454 /nfs/dbraw/zinc/51/94/54/491519454.db2.gz LQZBYWUZSIMWBB-SECBINFHSA-N -2 0 354.432 0.909 20 0 FCADRL CC(C)C(=O)Nc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1 ZINC000574854388 491524278 /nfs/dbraw/zinc/52/42/78/491524278.db2.gz GHPVLGJLKMDMBJ-UHFFFAOYSA-N -2 0 358.372 0.441 20 0 FCADRL C[C@@](CNS(=O)(=O)CCOCC1CCCC1)(CC(=O)[O-])C(=O)[O-] ZINC000576091560 491580843 /nfs/dbraw/zinc/58/08/43/491580843.db2.gz ZXSKHMBTPCGLOR-AWEZNQCLSA-N -2 0 351.421 0.678 20 0 FCADRL C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C[C@H]1C(=O)[O-] ZINC000577870691 491659289 /nfs/dbraw/zinc/65/92/89/491659289.db2.gz OWYLQPIJMRLGNM-RKDXNWHRSA-N -2 0 362.354 0.422 20 0 FCADRL C[C@@H]1CCN(C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)C[C@H]1C(=O)[O-] ZINC000569457009 491662967 /nfs/dbraw/zinc/66/29/67/491662967.db2.gz QERGUTWJNLGQBM-AJAPIDPKSA-N -2 0 359.382 0.924 20 0 FCADRL C[C@@H]1Cc2cc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])ccc2O1 ZINC000579067342 491690130 /nfs/dbraw/zinc/69/01/30/491690130.db2.gz YKVKCOSAHWXBHJ-PSLIRLAXSA-N -2 0 357.384 0.854 20 0 FCADRL COC(=O)c1nscc1S(=O)(=O)N[C@H](C)[C@H](C(=O)[O-])C(C)C ZINC000581483704 491774590 /nfs/dbraw/zinc/77/45/90/491774590.db2.gz DUMKOCDNPIPBFZ-VXNVDRBHSA-N -2 0 350.418 0.953 20 0 FCADRL COC(=O)C1(CS(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])CCCCC1 ZINC000583180463 491839671 /nfs/dbraw/zinc/83/96/71/491839671.db2.gz OEKQTYGFINKFDQ-SNVBAGLBSA-N -2 0 365.404 0.205 20 0 FCADRL COC(=O)C1(CS(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])CCCC1 ZINC000583904349 491854322 /nfs/dbraw/zinc/85/43/22/491854322.db2.gz RDIBTYPJEFYEIQ-ZDUSSCGKSA-N -2 0 365.404 0.205 20 0 FCADRL CC(C)C[C@@H](CN(C)C(=O)c1cc(=O)[nH][n-]1)NC(=O)c1cc(=O)[nH][n-]1 ZINC000613088491 491966049 /nfs/dbraw/zinc/96/60/49/491966049.db2.gz RBJIYRMNFWJQSV-VIFPVBQESA-N -2 0 350.379 0.461 20 0 FCADRL COC(=O)c1c(C)cccc1S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000614356079 492025978 /nfs/dbraw/zinc/02/59/78/492025978.db2.gz GDWVCHLZMBDFSF-HNNXBMFYSA-N -2 0 373.383 0.626 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)[N-]c2nn[nH]n2)cn1 ZINC000605532565 492097954 /nfs/dbraw/zinc/09/79/54/492097954.db2.gz HEYPHEJMPCCNFL-UHFFFAOYSA-N -2 0 354.377 0.048 20 0 FCADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2c[nH]cn2)c(OC)c1OC ZINC000605651589 492101041 /nfs/dbraw/zinc/10/10/41/492101041.db2.gz SQWTZTJFWJXVHM-UHFFFAOYSA-N -2 0 357.344 0.935 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c2ncccc12 ZINC000654768041 492348809 /nfs/dbraw/zinc/34/88/09/492348809.db2.gz YGKLMHMAHRRYPQ-JTQLQIEISA-N -2 0 368.367 0.840 20 0 FCADRL Cc1cc(C(=O)NCC2(C(=O)[O-])CCOCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000647766066 492357291 /nfs/dbraw/zinc/35/72/91/492357291.db2.gz GPVAABLGGBQWLC-UHFFFAOYSA-N -2 0 362.342 0.356 20 0 FCADRL COc1cc(C(=O)NC[C@@H](C)C(=O)[O-])cc([N-]S(C)(=O)=O)c1OC ZINC000655560037 492457375 /nfs/dbraw/zinc/45/73/75/492457375.db2.gz HFCCLFIVSSEMAZ-MRVPVSSYSA-N -2 0 360.388 0.526 20 0 FCADRL C[C@@](CNS(=O)(=O)c1ccc2c(c1)C(=O)CC2)(CC(=O)[O-])C(=O)[O-] ZINC000656157475 492557927 /nfs/dbraw/zinc/55/79/27/492557927.db2.gz MQIUTGGHKDAPEC-HNNXBMFYSA-N -2 0 355.368 0.659 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)CCc1c(F)cccc1F)C(=O)[O-] ZINC000629291431 492602242 /nfs/dbraw/zinc/60/22/42/492602242.db2.gz GLPKAFHPJFQGNE-LLVKDONJSA-N -2 0 351.327 0.745 20 0 FCADRL O=C([O-])C[C@@H]1CCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000681589532 493191806 /nfs/dbraw/zinc/19/18/06/493191806.db2.gz VIVGNBITCTVPLF-ZETCQYMHSA-N -2 0 354.344 0.064 20 0 FCADRL CCc1nn(C)c(CC)c1S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000683925778 493380393 /nfs/dbraw/zinc/38/03/93/493380393.db2.gz XBIHRKDQBFNHMK-SNVBAGLBSA-N -2 0 361.420 0.531 20 0 FCADRL O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)C3(C(=O)[O-])CC=CC3)CC2)C1 ZINC000663117462 493572226 /nfs/dbraw/zinc/57/22/26/493572226.db2.gz QAWXUCGUCAIZDO-LLVKDONJSA-N -2 0 350.371 0.332 20 0 FCADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000663115539 493572279 /nfs/dbraw/zinc/57/22/79/493572279.db2.gz CNLHOYYIEIHMOY-BTDLBPIBSA-N -2 0 352.387 0.411 20 0 FCADRL Cc1ccc(-n2[n-]c(C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)cc2=O)cc1 ZINC000663130133 493573459 /nfs/dbraw/zinc/57/34/59/493573459.db2.gz ATEJKIMMINITHX-KZULUSFZSA-N -2 0 357.366 0.647 20 0 FCADRL O=C([O-])[C@H]1N(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC12CCC2 ZINC000663287221 493582243 /nfs/dbraw/zinc/58/22/43/493582243.db2.gz HAQLARFNAINEGR-SECBINFHSA-N -2 0 366.355 0.064 20 0 FCADRL NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000677234677 493592786 /nfs/dbraw/zinc/59/27/86/493592786.db2.gz CGTXCEUOLLHIMN-UHFFFAOYSA-N -2 0 374.371 0.972 20 0 FCADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1n[nH]cc1C(N)=O ZINC000671661282 493702027 /nfs/dbraw/zinc/70/20/27/493702027.db2.gz ICFZERSJDXCXAZ-UHFFFAOYSA-N -2 0 358.763 0.969 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)c(C)c1OCC(=O)[O-] ZINC000671661277 493702030 /nfs/dbraw/zinc/70/20/30/493702030.db2.gz HWFKZLGYTZFIPP-UHFFFAOYSA-N -2 0 368.371 0.390 20 0 FCADRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)N[C@@H](C)C(=O)[O-] ZINC000737653130 599870288 /nfs/dbraw/zinc/87/02/88/599870288.db2.gz YEVVVGPBROTADI-YFKPBYRVSA-N -2 0 351.358 0.293 20 0 FCADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1OCC(N)=O ZINC000738041922 599737708 /nfs/dbraw/zinc/73/77/08/599737708.db2.gz PIXAHBFRVQOWIA-UHFFFAOYSA-N -2 0 370.339 0.651 20 0 FCADRL COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c1 ZINC000737697794 599738816 /nfs/dbraw/zinc/73/88/16/599738816.db2.gz UFPLBQPWFAWBPZ-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccn(CC(=O)[O-])n3)ccc21 ZINC000737506277 599738918 /nfs/dbraw/zinc/73/89/18/599738918.db2.gz VUVFHMWRGKJMGA-UHFFFAOYSA-N -2 0 350.356 0.287 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262651783 599809576 /nfs/dbraw/zinc/80/95/76/599809576.db2.gz JMFBXIVCJDFDHW-LLVKDONJSA-N -2 0 357.370 0.813 20 0 FCADRL CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cn1 ZINC000738178019 599851338 /nfs/dbraw/zinc/85/13/38/599851338.db2.gz WZRJFJNUAMBSIQ-UHFFFAOYSA-N -2 0 356.381 0.984 20 0 FCADRL O=C([O-])[C@H]1CN(C(=O)CCn2c(=O)c3ccccc3[n-]c2=S)CCO1 ZINC000738547314 599943522 /nfs/dbraw/zinc/94/35/22/599943522.db2.gz KPUHRMVGTDJKAO-GFCCVEGCSA-N -2 0 363.395 0.387 20 0 FCADRL CNC(=O)c1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cc1 ZINC000390352312 600052749 /nfs/dbraw/zinc/05/27/49/600052749.db2.gz ZCDGFRQUPPGNLC-UHFFFAOYSA-N -2 0 355.397 0.931 20 0 FCADRL CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cn1 ZINC000737544769 600056148 /nfs/dbraw/zinc/05/61/48/600056148.db2.gz NNRDZOIZOVBWPN-UHFFFAOYSA-N -2 0 369.380 0.320 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)c2cc3c(s2)CCOC3)CC1 ZINC000739453665 600056914 /nfs/dbraw/zinc/05/69/14/600056914.db2.gz LELLMTKHHSAMJJ-UHFFFAOYSA-N -2 0 374.440 0.592 20 0 FCADRL CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cn1 ZINC000737349750 600098753 /nfs/dbraw/zinc/09/87/53/600098753.db2.gz JWGABISLBWAIFL-UHFFFAOYSA-N -2 0 358.401 0.532 20 0 FCADRL O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1nnc([N-]S(=O)(=O)c2ccccc2)s1 ZINC000739551896 600114042 /nfs/dbraw/zinc/11/40/42/600114042.db2.gz FFUGKDJHGUKZIC-DTWKUNHWSA-N -2 0 368.396 0.998 20 0 FCADRL CC(C)CN1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)CC1=O ZINC000736432956 600129625 /nfs/dbraw/zinc/12/96/25/600129625.db2.gz WQQSZYFJHLJOSN-VIFPVBQESA-N -2 0 374.440 0.756 20 0 FCADRL CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000736134998 600162838 /nfs/dbraw/zinc/16/28/38/600162838.db2.gz MEUZLFDVXQXJJN-CQSZACIVSA-N -2 0 368.411 0.589 20 0 FCADRL O=C([O-])c1cccc(OCCOC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1 ZINC000739356144 600176131 /nfs/dbraw/zinc/17/61/31/600176131.db2.gz YDBMZJVAXFKKGN-UHFFFAOYSA-N -2 0 358.310 0.392 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@@H](C)O3)c1C(=O)[O-] ZINC000738827688 600230937 /nfs/dbraw/zinc/23/09/37/600230937.db2.gz NCPAXRJAPMNTGF-SSDOTTSWSA-N -2 0 366.355 0.937 20 0 FCADRL COCC(=O)Nc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cc1 ZINC000737734003 600232254 /nfs/dbraw/zinc/23/22/54/600232254.db2.gz UHTUHPJHMVLATE-UHFFFAOYSA-N -2 0 368.371 0.802 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccnn2Cc2ccccn2)c1C(=O)[O-] ZINC000738335728 600235423 /nfs/dbraw/zinc/23/54/23/600235423.db2.gz WDZZMVSYNGADLZ-UHFFFAOYSA-N -2 0 362.371 0.857 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)COC[C@H]2CCCO2)cc1 ZINC000739320950 600242173 /nfs/dbraw/zinc/24/21/73/600242173.db2.gz BPTYKELLDQULBT-CYBMUJFWSA-N -2 0 357.384 0.526 20 0 FCADRL CN(Cc1ccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1)C(=O)[O-] ZINC000737479243 600283513 /nfs/dbraw/zinc/28/35/13/600283513.db2.gz PTMQTVHCUWSQKT-UHFFFAOYSA-N -2 0 356.342 0.820 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC000739158153 600392516 /nfs/dbraw/zinc/39/25/16/600392516.db2.gz SLQKACLZWHMSMM-UHFFFAOYSA-N -2 0 356.335 0.397 20 0 FCADRL CC(=O)N1CCc2cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])ccc21 ZINC000736137939 600461098 /nfs/dbraw/zinc/46/10/98/600461098.db2.gz CZBWMHMPGZWXNK-UHFFFAOYSA-N -2 0 354.384 0.520 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000739696004 600461213 /nfs/dbraw/zinc/46/12/13/600461213.db2.gz UZPPYVHYMJBSSN-JTQLQIEISA-N -2 0 372.374 0.489 20 0 FCADRL Cc1nc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])nn1-c1ccc(F)cc1 ZINC000738843242 600461564 /nfs/dbraw/zinc/46/15/64/600461564.db2.gz ZUZGOKJDXWOFTN-UHFFFAOYSA-N -2 0 370.362 0.639 20 0 FCADRL CC[C@H](C)C(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1 ZINC000736869800 600462126 /nfs/dbraw/zinc/46/21/26/600462126.db2.gz SVHDXFQDIGBMNM-RYUDHWBXSA-N -2 0 362.448 0.582 20 0 FCADRL CCOC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])nc1C ZINC000737153697 600462992 /nfs/dbraw/zinc/46/29/92/600462992.db2.gz FTANLODGAWVLAR-UHFFFAOYSA-N -2 0 358.372 0.491 20 0 FCADRL COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000737595437 600464215 /nfs/dbraw/zinc/46/42/15/600464215.db2.gz CYMKYVDQYOIDIP-UHFFFAOYSA-N -2 0 359.356 0.163 20 0 FCADRL CCOC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1 ZINC000737147256 600465603 /nfs/dbraw/zinc/46/56/03/600465603.db2.gz VYPQHTQPBUHSSX-SNVBAGLBSA-N -2 0 350.393 0.166 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCc1ccc2c(c1)OCCO2 ZINC000739692630 600465979 /nfs/dbraw/zinc/46/59/79/600465979.db2.gz STZCGSMNCDGTKM-UHFFFAOYSA-N -2 0 357.384 0.701 20 0 FCADRL NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])cc1 ZINC000739201881 600515311 /nfs/dbraw/zinc/51/53/11/600515311.db2.gz UEYAVSSFROPKMA-UHFFFAOYSA-N -2 0 357.369 0.228 20 0 FCADRL CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1 ZINC000738175577 600529819 /nfs/dbraw/zinc/52/98/19/600529819.db2.gz AZDRUHVKGFWPAE-UHFFFAOYSA-N -2 0 359.385 0.172 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1NC(C)=O ZINC000327345800 600530228 /nfs/dbraw/zinc/53/02/28/600530228.db2.gz CNDLRUYQWDUQTH-UHFFFAOYSA-N -2 0 368.371 0.736 20 0 FCADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC000739911623 600530458 /nfs/dbraw/zinc/53/04/58/600530458.db2.gz HJKUCUXHZSQYQK-UHFFFAOYSA-N -4 0 369.311 0.165 20 0 FCADRL CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1 ZINC000737155133 600530814 /nfs/dbraw/zinc/53/08/14/600530814.db2.gz JJXCAMCWDZMJDV-UHFFFAOYSA-N -2 0 353.356 0.945 20 0 FCADRL C[C@@H]1CCC[C@@H](OCC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000736773576 600549608 /nfs/dbraw/zinc/54/96/08/600549608.db2.gz BVFVKYKJQKHZOB-DGCLKSJQSA-N -2 0 362.448 0.739 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CC3)cc2)cn1 ZINC000326743766 600673427 /nfs/dbraw/zinc/67/34/27/600673427.db2.gz JZGKRILVLVKMLR-UHFFFAOYSA-N -2 0 364.383 0.661 20 0 FCADRL COCCOCc1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000326855586 600675170 /nfs/dbraw/zinc/67/51/70/600675170.db2.gz RCTMRGWMNDSEIH-UHFFFAOYSA-N -2 0 369.399 0.932 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(OCC(=O)[O-])c2)cn1 ZINC000831192116 600675196 /nfs/dbraw/zinc/67/51/96/600675196.db2.gz AXRWVUFCQZTLDG-UHFFFAOYSA-N -2 0 369.355 0.320 20 0 FCADRL CNC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000831005721 600679753 /nfs/dbraw/zinc/67/97/53/600679753.db2.gz WCLAKGYFYIVNMI-UHFFFAOYSA-N -2 0 368.371 0.137 20 0 FCADRL COCCOc1ncccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000831788310 600679801 /nfs/dbraw/zinc/67/98/01/600679801.db2.gz OFJDBGRHJCJVCY-UHFFFAOYSA-N -2 0 356.360 0.189 20 0 FCADRL Cn1c(=O)oc2cc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)ccc21 ZINC000833039344 600682412 /nfs/dbraw/zinc/68/24/12/600682412.db2.gz VXSXKOOXIQYUIK-UHFFFAOYSA-N -2 0 352.328 0.213 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NCC3)cn1 ZINC000833274319 600684073 /nfs/dbraw/zinc/68/40/73/600684073.db2.gz ZCGXLDYNOCEUIN-UHFFFAOYSA-N -2 0 350.356 0.054 20 0 FCADRL CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000831005632 600685566 /nfs/dbraw/zinc/68/55/66/600685566.db2.gz UTDAOLAYWCKQMV-UHFFFAOYSA-N -2 0 352.372 0.437 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2S(N)(=O)=O)cc1C(=O)[O-] ZINC000321967262 600811638 /nfs/dbraw/zinc/81/16/38/600811638.db2.gz JWOCMEPGUOSBCY-UHFFFAOYSA-N -2 0 359.385 0.172 20 0 FCADRL COC(=O)c1cc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)ccc1C(=O)[O-] ZINC000831277625 600947618 /nfs/dbraw/zinc/94/76/18/600947618.db2.gz VLHSWAMNCSTMHO-UHFFFAOYSA-N -2 0 371.309 0.195 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(Br)cn2)cn1 ZINC000035651764 600978359 /nfs/dbraw/zinc/97/83/59/600978359.db2.gz DURIWVCSBOQXPT-UHFFFAOYSA-N -2 0 361.177 0.926 20 0 FCADRL CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1 ZINC000825819035 600986391 /nfs/dbraw/zinc/98/63/91/600986391.db2.gz AUQDDTMMZQMCMI-UHFFFAOYSA-N -2 0 353.360 0.146 20 0 FCADRL O=C([O-])C[C@H]1CSCCN1CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000833220847 601023205 /nfs/dbraw/zinc/02/32/05/601023205.db2.gz BLVNNZNFWJAHDL-JTQLQIEISA-N -2 0 355.441 0.901 20 0 FCADRL Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3ccc(C(=O)[O-])cc3C)nc2n1 ZINC000832858814 601201149 /nfs/dbraw/zinc/20/11/49/601201149.db2.gz SOHQDPCQJJZNBK-UHFFFAOYSA-N -2 0 363.355 0.533 20 0 FCADRL Cc1oc(S(=O)(=O)[N-]c2ccc(OCC(N)=O)cc2)cc1C(=O)[O-] ZINC000833029752 601232385 /nfs/dbraw/zinc/23/23/85/601232385.db2.gz LWNYWMPKTNPWPH-UHFFFAOYSA-N -2 0 354.340 0.951 20 0 FCADRL COC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000831563358 601292366 /nfs/dbraw/zinc/29/23/66/601292366.db2.gz FNRQAPPASHUZLA-OAHLLOKOSA-N -2 0 350.331 0.354 20 0 FCADRL COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n1 ZINC000831192323 601361422 /nfs/dbraw/zinc/36/14/22/601361422.db2.gz GRQOXCWXEJIFNU-DAXSKMNVSA-N -2 0 366.355 0.350 20 0 FCADRL CCOCCS(=O)(=O)[N-]C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000830017611 601500629 /nfs/dbraw/zinc/50/06/29/601500629.db2.gz RWEYNKHINHSXQC-UHFFFAOYSA-N -2 0 359.400 0.863 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)N3CC[C@](F)(C(=O)[O-])C3)cc2[n-]c1=S ZINC000833039810 601716314 /nfs/dbraw/zinc/71/63/14/601716314.db2.gz RBBQXHRTLSIIFC-OAHLLOKOSA-N -2 0 351.359 0.861 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)N3CCOC[C@H]3C(=O)[O-])cc2[n-]c1=S ZINC000823846811 601721188 /nfs/dbraw/zinc/72/11/88/601721188.db2.gz IVTHPYKYDMRXHZ-LBPRGKRZSA-N -2 0 363.395 0.631 20 0 FCADRL COC(=O)C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)[O-] ZINC000831134586 601757694 /nfs/dbraw/zinc/75/76/94/601757694.db2.gz RKTPSKSAKJPHKW-JTQLQIEISA-N -2 0 351.290 0.463 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])n(-c2ncccn2)n1 ZINC000832898590 601769972 /nfs/dbraw/zinc/76/99/72/601769972.db2.gz JJSBIQFGCJJGKG-UHFFFAOYSA-N -2 0 366.384 0.926 20 0 FCADRL NC(=O)CCOc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000833082486 601835861 /nfs/dbraw/zinc/83/58/61/601835861.db2.gz SPIOKHIFGNJBHJ-UHFFFAOYSA-N -2 0 371.396 0.896 20 0 FCADRL NS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833089917 601837196 /nfs/dbraw/zinc/83/71/96/601837196.db2.gz HAEPRBKFZREJHC-UHFFFAOYSA-N -2 0 363.398 0.290 20 0 FCADRL COC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])n1 ZINC000831192112 601847773 /nfs/dbraw/zinc/84/77/73/601847773.db2.gz ARKNWTCCQUIRGT-UHFFFAOYSA-N -2 0 358.307 0.089 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccccc2O[C@H]2CCOC2)cn1 ZINC000833273694 601855039 /nfs/dbraw/zinc/85/50/39/601855039.db2.gz CWZDDNMJFFQNAM-NSHDSACASA-N -2 0 367.383 0.936 20 0 FCADRL CN(CCCC(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1)C(=O)[O-] ZINC000737434754 601969630 /nfs/dbraw/zinc/96/96/30/601969630.db2.gz RTOJTJXOTWLAAR-UHFFFAOYSA-N -2 0 355.372 0.942 20 0 FCADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)cn1 ZINC000833274633 601984899 /nfs/dbraw/zinc/98/48/99/601984899.db2.gz JCQFVMMKOZJTEO-UHFFFAOYSA-N -2 0 371.396 0.098 20 0 FCADRL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000743261524 601988517 /nfs/dbraw/zinc/98/85/17/601988517.db2.gz FNHLRUVTZOXSFK-UHFFFAOYSA-N -2 0 353.356 0.933 20 0 FCADRL Cc1c(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cnn1-c1ccccn1 ZINC000832856195 602154286 /nfs/dbraw/zinc/15/42/86/602154286.db2.gz KCVMIYPWHOKXEH-UHFFFAOYSA-N -2 0 363.359 0.053 20 0 FCADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000833356990 602156621 /nfs/dbraw/zinc/15/66/21/602156621.db2.gz CAAOMEWNLGAFBX-UHFFFAOYSA-N -2 0 353.381 0.928 20 0 FCADRL COC(=O)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055329782 602173661 /nfs/dbraw/zinc/17/36/61/602173661.db2.gz RIJCVYDVQNGPNH-SCSAIBSYSA-N -2 0 356.150 0.580 20 0 FCADRL Cc1nn(C)c(C)c1OCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833013815 602185358 /nfs/dbraw/zinc/18/53/58/602185358.db2.gz IEORFAFTWRPNCZ-UHFFFAOYSA-N -2 0 373.412 0.681 20 0 FCADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-])cn1 ZINC000832582768 602194857 /nfs/dbraw/zinc/19/48/57/602194857.db2.gz HNNLCKQTPUWMDF-SNVBAGLBSA-N -2 0 367.383 0.797 20 0 FCADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000827304587 602195280 /nfs/dbraw/zinc/19/52/80/602195280.db2.gz YCJIDYXBIZEWBD-LLVKDONJSA-N -2 0 351.384 0.847 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1C(N)=O ZINC000832654768 602319764 /nfs/dbraw/zinc/31/97/64/602319764.db2.gz XRIMBAPEHHZVBF-UHFFFAOYSA-N -2 0 358.357 0.145 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCc1nc(C2CCCC2)no1 ZINC000833228430 602347981 /nfs/dbraw/zinc/34/79/81/602347981.db2.gz OUEFLLVZPQHXKA-UHFFFAOYSA-N -2 0 359.404 0.971 20 0 FCADRL CC(C)[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)N1CCc2sccc2C1 ZINC000736374346 602671871 /nfs/dbraw/zinc/67/18/71/602671871.db2.gz ISEQNFFHIWOWDD-LLVKDONJSA-N -2 0 361.445 0.759 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)[O-])C(C)C)c1 ZINC000737714897 604375676 /nfs/dbraw/zinc/37/56/76/604375676.db2.gz YVTQOPQUHOXPHS-NSHDSACASA-N -2 0 358.372 0.570 20 0 FCADRL COC(=O)C1CCC(NC(=O)c2ccc(C(=O)[O-])nc2)(C(=O)[O-])CC1 ZINC000833705896 604773995 /nfs/dbraw/zinc/77/39/95/604773995.db2.gz RLXUIIDTMJUXLM-UHFFFAOYSA-N -2 0 350.327 0.696 20 0 FCADRL C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Br)C(=O)[O-] ZINC000833739278 604882968 /nfs/dbraw/zinc/88/29/68/604882968.db2.gz YJGCZHCSZHXAPG-RXMQYKEDSA-N -2 0 352.162 0.899 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833665582 604901932 /nfs/dbraw/zinc/90/19/32/604901932.db2.gz IKUILDBKLNBRFO-AWEZNQCLSA-N -2 0 370.427 0.746 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cn2)c1C(=O)[O-] ZINC000832990771 605013856 /nfs/dbraw/zinc/01/38/56/605013856.db2.gz HJMRVXAGTKNDMX-UHFFFAOYSA-N -2 0 365.371 0.739 20 0 FCADRL CCOC(=O)Cc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)s1 ZINC000833659035 605183954 /nfs/dbraw/zinc/18/39/54/605183954.db2.gz PAEIVJWICLPUDM-UHFFFAOYSA-N -2 0 361.357 0.736 20 0 FCADRL Cc1cc2nc(C)cc(C(=O)[N-]S(=O)(=O)[C@H]3CCN(C(=O)[O-])C3)n2n1 ZINC000829961497 605273917 /nfs/dbraw/zinc/27/39/17/605273917.db2.gz HFWGJHPCBCDSHM-JTQLQIEISA-N -2 0 367.387 0.158 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)c1C(=O)[O-] ZINC000826366348 608395963 /nfs/dbraw/zinc/39/59/63/608395963.db2.gz DHPZIRAMUBNWHA-UHFFFAOYSA-N -2 0 367.322 0.238 20 0 FCADRL CCCCNC(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000064375397 666456878 /nfs/dbraw/zinc/45/68/78/666456878.db2.gz DDPHFZANHHIEQV-UHFFFAOYSA-N -3 0 359.360 0.376 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]NC(=O)c2cccn2C)cc1C(=O)[O-] ZINC000068075225 666471848 /nfs/dbraw/zinc/47/18/48/666471848.db2.gz HSHIYOGJVSEOCW-UHFFFAOYSA-N -2 0 367.383 0.745 20 0 FCADRL CC[C@H](NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1)C(=O)[O-] ZINC000914746333 666795276 /nfs/dbraw/zinc/79/52/76/666795276.db2.gz QRVLRZXANSMRAN-CABZTGNLSA-N -2 0 370.383 0.266 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)C1=O ZINC000731053393 666803893 /nfs/dbraw/zinc/80/38/93/666803893.db2.gz ORZVVPRKXBHGBG-AWEZNQCLSA-N -2 0 355.372 0.607 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)c1 ZINC000916104268 666991312 /nfs/dbraw/zinc/99/13/12/666991312.db2.gz SMBKOWDJPVPLAG-UHFFFAOYSA-N -2 0 367.383 0.833 20 0 FCADRL O=C([O-])CCc1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000917055609 667049133 /nfs/dbraw/zinc/04/91/33/667049133.db2.gz RPAJPNRBZBNDSH-LLVKDONJSA-N -3 0 359.356 0.300 20 0 FCADRL COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C)C(=O)[O-] ZINC000917729189 667084614 /nfs/dbraw/zinc/08/46/14/667084614.db2.gz ASSDCZAGFYRLHN-NSHDSACASA-N -2 0 373.383 0.803 20 0 FCADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000917846658 667088540 /nfs/dbraw/zinc/08/85/40/667088540.db2.gz YZSBJSMTEOGWHO-JTQLQIEISA-N -2 0 358.372 0.115 20 0 FCADRL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000759402674 667805027 /nfs/dbraw/zinc/80/50/27/667805027.db2.gz WKHFEXIQHSGNME-UHFFFAOYSA-N -2 0 357.310 0.553 20 0 FCADRL CCn1cc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c(C(N)=O)n1 ZINC000788132102 667977641 /nfs/dbraw/zinc/97/76/41/667977641.db2.gz PORHWGGZNRBZRZ-UHFFFAOYSA-N -2 0 370.362 0.948 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1c(Cl)ccnc1Cl)C(=O)[O-] ZINC000776437481 668261700 /nfs/dbraw/zinc/26/17/00/668261700.db2.gz OYBYVPAUZLFQLN-ZCFIWIBFSA-N -2 0 357.171 0.985 20 0 FCADRL C[C@@](CNS(=O)(=O)Cc1ccc(Cl)nc1)(CC(=O)[O-])C(=O)[O-] ZINC000776584405 668274416 /nfs/dbraw/zinc/27/44/16/668274416.db2.gz LLMMBHNAVJOAHT-LBPRGKRZSA-N -2 0 350.780 0.720 20 0 FCADRL CC[C@@H](C)C[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000776616112 668279392 /nfs/dbraw/zinc/27/93/92/668279392.db2.gz RAIVPYMEKRZZOE-XCBNKYQSSA-N -2 0 370.387 0.604 20 0 FCADRL CC[C@H](C)C[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000776616113 668279510 /nfs/dbraw/zinc/27/95/10/668279510.db2.gz RAIVPYMEKRZZOE-XVKPBYJWSA-N -2 0 370.387 0.604 20 0 FCADRL Cn1nc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1C(=O)[O-] ZINC000790005526 668869287 /nfs/dbraw/zinc/86/92/87/668869287.db2.gz NPCAGWBHWZVGRD-UHFFFAOYSA-N -2 0 352.328 0.364 20 0 FCADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000820287642 669077588 /nfs/dbraw/zinc/07/75/88/669077588.db2.gz BCLRPBVZYWQAOR-UHFFFAOYSA-N -2 0 356.224 0.068 20 0 FCADRL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)cc1 ZINC000821090380 669155763 /nfs/dbraw/zinc/15/57/63/669155763.db2.gz VLHIADQHQMPEPV-UHFFFAOYSA-N -2 0 352.372 0.621 20 0 FCADRL CCN(CC(=O)[O-])C(=O)c1cc([N-]S(C)(=O)=O)c(OC)c(OC)c1 ZINC000829628653 669713675 /nfs/dbraw/zinc/71/36/75/669713675.db2.gz RCDLNSHPQLLTFQ-UHFFFAOYSA-N -2 0 360.388 0.622 20 0 FCADRL CCOc1cc(C(=O)[N-]S(=O)(=O)CCCF)ccc1OCC(=O)[O-] ZINC000830038985 669745896 /nfs/dbraw/zinc/74/58/96/669745896.db2.gz VLPVBIGGKAAGSU-UHFFFAOYSA-N -2 0 363.363 0.968 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831130453 669830012 /nfs/dbraw/zinc/83/00/12/669830012.db2.gz VWZZKKXEKMZKEC-UHFFFAOYSA-N -2 0 363.258 0.580 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000815963935 669932456 /nfs/dbraw/zinc/93/24/56/669932456.db2.gz REGNJLAYRONRDA-YFKPBYRVSA-N -2 0 358.260 0.698 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000816009703 669934535 /nfs/dbraw/zinc/93/45/35/669934535.db2.gz JWOJBZLVKJWSMZ-IUCAKERBSA-N -2 0 360.354 0.315 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000816082782 669939097 /nfs/dbraw/zinc/93/90/97/669939097.db2.gz PNUWGQABDCWIRV-ZJUUUORDSA-N -2 0 374.381 0.562 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000816082781 669939125 /nfs/dbraw/zinc/93/91/25/669939125.db2.gz PNUWGQABDCWIRV-UWVGGRQHSA-N -2 0 374.381 0.562 20 0 FCADRL COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000818312200 670095119 /nfs/dbraw/zinc/09/51/19/670095119.db2.gz RFUIJQAMTPBHDG-ZANVPECISA-N -2 0 354.325 0.782 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CCCF ZINC000849231873 671323558 /nfs/dbraw/zinc/32/35/58/671323558.db2.gz IZCGNIOUPOCFCD-JGVFFNPUSA-N -2 0 364.317 0.272 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CC1CC1 ZINC000849232574 671323744 /nfs/dbraw/zinc/32/37/44/671323744.db2.gz PEMPAQUBGKKOKJ-RKDXNWHRSA-N -2 0 358.338 0.322 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cncc(F)c1 ZINC000851700357 671460041 /nfs/dbraw/zinc/46/00/41/671460041.db2.gz BEYGYOOAUDKULT-UWVGGRQHSA-N -2 0 363.267 0.957 20 0 FCADRL Cc1nccc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1 ZINC000851704298 671462338 /nfs/dbraw/zinc/46/23/38/671462338.db2.gz VDTZVZOWSILSQU-WCBMZHEXSA-N -2 0 360.292 0.521 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccncc1F ZINC000851704464 671462357 /nfs/dbraw/zinc/46/23/57/671462357.db2.gz WWOLAGXVQFAGMU-NXEZZACHSA-N -2 0 363.267 0.957 20 0 FCADRL CCO[N-]C(=O)CNC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852399495 671505204 /nfs/dbraw/zinc/50/52/04/671505204.db2.gz JWMBDJOHVSKZNT-BDAKNGLRSA-N -2 0 354.329 0.153 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])c1C ZINC000853062732 671536110 /nfs/dbraw/zinc/53/61/10/671536110.db2.gz SXGCZJWFMBQHDA-LBPRGKRZSA-N -2 0 357.384 0.866 20 0 FCADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])c1 ZINC000853062737 671536178 /nfs/dbraw/zinc/53/61/78/671536178.db2.gz TVROOYWBNSXWNC-SECBINFHSA-N -2 0 361.347 0.697 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)OCCC[N-]C(=O)C(F)(F)F)cn1 ZINC000859924779 671855830 /nfs/dbraw/zinc/85/58/30/671855830.db2.gz YFFDAPIYVQTXNV-UHFFFAOYSA-N -2 0 369.321 0.679 20 0 FCADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000863952695 672163972 /nfs/dbraw/zinc/16/39/72/672163972.db2.gz FARCKAXDSUMVMT-UHFFFAOYSA-N -2 0 367.383 0.619 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)s1 ZINC000863953242 672164170 /nfs/dbraw/zinc/16/41/70/672164170.db2.gz MSMRPHATWXXINO-UHFFFAOYSA-N -2 0 359.381 0.761 20 0 FCADRL CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC=CC1 ZINC000863953081 672164249 /nfs/dbraw/zinc/16/42/49/672164249.db2.gz KDMBGSRKHKBVQN-UHFFFAOYSA-N -2 0 367.383 0.009 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2c(Cl)nc3ccccn32)O1 ZINC000863953881 672164586 /nfs/dbraw/zinc/16/45/86/672164586.db2.gz CGRGSDGURJTYDR-SFYZADRCSA-N -2 0 373.774 0.425 20 0 FCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CCC1 ZINC000863955401 672165706 /nfs/dbraw/zinc/16/57/06/672165706.db2.gz KZZNBJWMVYHDNL-UHFFFAOYSA-N -2 0 352.368 0.032 20 0 FCADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000863959466 672167341 /nfs/dbraw/zinc/16/73/41/672167341.db2.gz FWUUVBJBENDUHD-GFCCVEGCSA-N -2 0 351.331 0.454 20 0 FCADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000863959348 672167386 /nfs/dbraw/zinc/16/73/86/672167386.db2.gz AZGNVUPVNWCIAT-SECBINFHSA-N -2 0 353.347 0.700 20 0 FCADRL CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)s1 ZINC000863960750 672168376 /nfs/dbraw/zinc/16/83/76/672168376.db2.gz BIZOCRDLBSDLRT-UHFFFAOYSA-N -2 0 359.385 0.327 20 0 FCADRL CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000863960903 672168392 /nfs/dbraw/zinc/16/83/92/672168392.db2.gz DZLTZOVMGMHTIK-LBPRGKRZSA-N -2 0 370.427 0.739 20 0 FCADRL O=C([O-])COc1cccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)c1 ZINC000863962205 672168960 /nfs/dbraw/zinc/16/89/60/672168960.db2.gz WDFUJULIPRLURV-LLVKDONJSA-N -2 0 357.384 0.636 20 0 FCADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)C1CCCC1 ZINC000863964550 672170439 /nfs/dbraw/zinc/17/04/39/672170439.db2.gz WJMQZPBJHZRDOG-AAEUAGOBSA-N -2 0 371.415 0.540 20 0 FCADRL O=S(=O)([N-]N=c1c(F)c(F)[n-]c(F)c1F)c1cnn2c1OCCC2 ZINC000882664777 673333767 /nfs/dbraw/zinc/33/37/67/673333767.db2.gz IWOBJMLKDRAUDI-UHFFFAOYSA-N -2 0 367.284 0.922 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cccnc1F ZINC000902065418 675824536 /nfs/dbraw/zinc/82/45/36/675824536.db2.gz LTRQPQAOHZZFTR-RKDXNWHRSA-N -2 0 363.267 0.957 20 0 FCADRL O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1ccc(O)c(F)c1 ZINC001186234643 1206494613 /nfs/dbraw/zinc/49/46/13/1206494613.db2.gz XXYBTXPWZHPBHB-LBPRGKRZSA-N -2 0 364.333 0.186 20 0 FCADRL CCCc1cc(=O)n2[nH]c(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)nc2n1 ZINC000857683404 1209758115 /nfs/dbraw/zinc/75/81/15/1209758115.db2.gz CPWUMXNUDVRGOO-UHFFFAOYSA-N -2 0 374.323 0.766 20 0 FCADRL Cc1ccc2oc(=O)cc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2c1 ZINC001223546426 1225715117 /nfs/dbraw/zinc/71/51/17/1225715117.db2.gz GCDPHNRNOBQMPM-ABAIWWIYSA-N -2 0 364.306 0.681 20 0 FCADRL COc1cc(OC)c(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(OC)c1 ZINC001223897518 1225743857 /nfs/dbraw/zinc/74/38/57/1225743857.db2.gz PFOCNZPNSVXGSU-XPTSAGLGSA-N -2 0 372.326 0.292 20 0 FCADRL COc1ccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(OC)c1OC ZINC001223908209 1225745134 /nfs/dbraw/zinc/74/51/34/1225745134.db2.gz QJVJDUWTPCSUMB-BXKDBHETSA-N -2 0 372.326 0.292 20 0 FCADRL COC(=O)c1c(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cccc1OC ZINC001224169462 1225762498 /nfs/dbraw/zinc/76/24/98/1225762498.db2.gz RWPYEARTMPXPHC-ZANVPECISA-N -2 0 370.310 0.061 20 0 FCADRL O=C([O-])C[C@@H](C(=O)OCc1ccccc1N1CCOCC1)[C@H](O)C(=O)[O-] ZINC001224250075 1225767890 /nfs/dbraw/zinc/76/78/90/1225767890.db2.gz RKVGBNDUWHEALB-DOMZBBRYSA-N -2 0 367.354 0.103 20 0 FCADRL O=C([O-])C[C@@H](C(=O)OCCCC(=O)OCc1ccccc1)[C@@H](O)C(=O)[O-] ZINC001224736511 1225791493 /nfs/dbraw/zinc/79/14/93/1225791493.db2.gz NCTAZIMMFXONDK-IUODEOHRSA-N -2 0 368.338 0.590 20 0 FCADRL O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000803404277 1218399898 /nfs/dbraw/zinc/39/98/98/1218399898.db2.gz CYIYFQQXJFJEKE-UHFFFAOYSA-N -2 0 352.314 0.201 20 0 FCADRL COC(=O)c1cc2[nH]ccc2c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001227322684 1225870414 /nfs/dbraw/zinc/87/04/14/1225870414.db2.gz MCPFLFWJZPJDGG-RNCFNFMXSA-N -2 0 365.294 0.396 20 0 FCADRL COc1ccc(C(C)=O)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1OC ZINC001227416624 1225873435 /nfs/dbraw/zinc/87/34/35/1225873435.db2.gz GKGHUXVUVXMSMX-CABZTGNLSA-N -2 0 370.310 0.348 20 0 FCADRL COc1ccc2c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(=O)oc2c1 ZINC001227526795 1225878355 /nfs/dbraw/zinc/87/83/55/1225878355.db2.gz IBMRAGJCAPNZMQ-XPTSAGLGSA-N -2 0 366.278 0.243 20 0 FCADRL CCOC(=O)CCc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001228411751 1225921239 /nfs/dbraw/zinc/92/12/39/1225921239.db2.gz MGXIUPNONSNZBY-WFASDCNBSA-N -2 0 368.338 0.624 20 0 FCADRL Cc1cc(=O)oc2c1ccc(O)c2OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228622410 1225937497 /nfs/dbraw/zinc/93/74/97/1225937497.db2.gz IOSXLYFZTAVQSO-QPUJVOFHSA-N -2 0 366.278 0.249 20 0 FCADRL COc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(C(C)=O)cc1OC ZINC001229497772 1226015016 /nfs/dbraw/zinc/01/50/16/1226015016.db2.gz HCYCORHQNWSUON-XPTSAGLGSA-N -2 0 370.310 0.348 20 0 FCADRL COc1cccc2c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc(C)nc12 ZINC001229818402 1226036091 /nfs/dbraw/zinc/03/60/91/1226036091.db2.gz NXIIRCFIWWBIJW-RNCFNFMXSA-N -2 0 364.310 0.389 20 0 FCADRL O=C([O-])C[C@@H](C(=O)OCCCn1c(=O)[nH]c2ccccc21)[C@@H](O)C(=O)[O-] ZINC001206364811 1223356988 /nfs/dbraw/zinc/35/69/88/1223356988.db2.gz VVPNBLXWWXGUJP-NOZJJQNGSA-N -2 0 366.326 0.212 20 0 FCADRL Nc1nccc(-c2ccccc2OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001234155129 1259557202 /nfs/dbraw/zinc/55/72/02/1259557202.db2.gz ZHXIYWBXFGJTCD-ZANVPECISA-N -2 0 361.310 0.168 20 0 FCADRL COc1cc(F)cc2ccnc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c21 ZINC001234689250 1259564196 /nfs/dbraw/zinc/56/41/96/1259564196.db2.gz PHKIUGXHVVTETL-TVQRCGJNSA-N -2 0 367.285 0.824 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ncccc1C(=O)c1ccccc1)[C@H](O)C(=O)[O-] ZINC001234663832 1259564202 /nfs/dbraw/zinc/56/42/02/1259564202.db2.gz QBAALEKEVPGTSH-WFASDCNBSA-N -2 0 373.317 0.754 20 0 FCADRL Cc1cc(C(=O)N2CCC(N3CCNC3=O)CC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001318979629 1263635257 /nfs/dbraw/zinc/63/52/57/1263635257.db2.gz YELDPWDXEBCWCT-UHFFFAOYSA-N -2 0 372.385 0.374 20 0 FCADRL CSCC[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1nnn[n-]1 ZINC001557589404 1268956332 /nfs/dbraw/zinc/95/63/32/1268956332.db2.gz NPKJFTNDNILTNB-LURJTMIESA-N -2 0 354.358 0.567 20 0 FCADRL CN(C(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F)c1nnn[n-]1 ZINC001557695617 1268966349 /nfs/dbraw/zinc/96/63/49/1268966349.db2.gz CAHBYHHJUFNWNC-UHFFFAOYSA-N -2 0 350.282 0.738 20 0 FCADRL CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c(F)c1 ZINC001603108909 1287309598 /nfs/dbraw/zinc/30/95/98/1287309598.db2.gz NKBITUGPYQHCSR-UHFFFAOYSA-N -2 0 372.374 0.800 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cnc(-c2cnn(C)c2)s1 ZINC001603186930 1287325355 /nfs/dbraw/zinc/32/53/55/1287325355.db2.gz CYEYYACMTLBXFP-SFYZADRCSA-N -2 0 372.428 0.712 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc(=O)n(C)c2ccccc12 ZINC001603187278 1287325524 /nfs/dbraw/zinc/32/55/24/1287325524.db2.gz FZEBGIAFGUDNGS-NXEZZACHSA-N -2 0 366.395 0.707 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC001603187949 1287325574 /nfs/dbraw/zinc/32/55/74/1287325574.db2.gz LBSLUCJFUYOZHG-DCAQKATOSA-N -2 0 360.432 0.333 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(F)F)nc1 ZINC001603190242 1287326730 /nfs/dbraw/zinc/32/67/30/1287326730.db2.gz VNWJDJSCYRGDBI-JGVFFNPUSA-N -2 0 366.342 0.894 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC001603201208 1287328120 /nfs/dbraw/zinc/32/81/20/1287328120.db2.gz FLKVAMLJEPYYTQ-IUCAKERBSA-N -2 0 364.420 0.551 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC001603204211 1287329857 /nfs/dbraw/zinc/32/98/57/1287329857.db2.gz KRYQXSBAIYJVFU-SECBINFHSA-N -2 0 367.383 0.577 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001603205413 1287331131 /nfs/dbraw/zinc/33/11/31/1287331131.db2.gz VNJVTCVGNJJXSP-ZJUUUORDSA-N -2 0 364.420 0.553 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001603204915 1287331392 /nfs/dbraw/zinc/33/13/92/1287331392.db2.gz RRJBXINMOWJYLR-HLTSFMKQSA-N -2 0 350.393 0.209 20 0 FCADRL C[C@@H](C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1)C(=O)[O-] ZINC001603465127 1287379669 /nfs/dbraw/zinc/37/96/69/1287379669.db2.gz DNBKVRZFCLOSKB-VHSXEESVSA-N -2 0 369.403 0.971 20 0 FCADRL CC(C)(CCNC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)C(=O)[O-] ZINC001603599461 1287434639 /nfs/dbraw/zinc/43/46/39/1287434639.db2.gz XRCKYERJNZDZAZ-UHFFFAOYSA-N -2 0 354.363 0.258 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@]1(C)COc2ccccc2O1)C(=O)[O-] ZINC001603659631 1287459891 /nfs/dbraw/zinc/45/98/91/1287459891.db2.gz DFUAJJUSWHIKRV-HNNXBMFYSA-N -2 0 357.384 0.773 20 0 FCADRL CC(C)CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC001603761275 1287489763 /nfs/dbraw/zinc/48/97/63/1287489763.db2.gz QUUVZNLWTRPBNM-FZMZJTMJSA-N -2 0 370.427 0.809 20 0 FCADRL O=C(c1ncccc1O)N1CCC[C@H](Nc2nccnc2-c2nn[nH]n2)C1 ZINC001582751702 1281976513 /nfs/dbraw/zinc/97/65/13/1281976513.db2.gz SDVCGYZMBVVHOB-JTQLQIEISA-N -2 0 367.373 0.474 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001603971084 1287546462 /nfs/dbraw/zinc/54/64/62/1287546462.db2.gz BOMASYPLCGGIHH-PKFCDNJMSA-N -2 0 366.336 0.639 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001603971760 1287547214 /nfs/dbraw/zinc/54/72/14/1287547214.db2.gz QRFYYLYMJZDITH-UTLUCORTSA-N -2 0 354.325 0.828 20 0 FCADRL CC(=O)c1ccc(O)c(CCOC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)c1 ZINC001588915842 1282727151 /nfs/dbraw/zinc/72/71/51/1282727151.db2.gz SFRBOSJUEAYFOV-SECBINFHSA-N -2 0 371.357 0.713 20 0 FCADRL C[C@@H](CC(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)n1ccnc1 ZINC001589794794 1283011527 /nfs/dbraw/zinc/01/15/27/1283011527.db2.gz HLARWXGDQSHDBS-VIFPVBQESA-N -2 0 369.345 0.506 20 0 FCADRL C[C@@H]1CCC[C@H]1CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001590247025 1283377488 /nfs/dbraw/zinc/37/74/88/1283377488.db2.gz IBVPENVFAJJMIJ-ZJUUUORDSA-N -2 0 350.404 0.893 20 0 FCADRL C[C@H]1COCC[C@@H]1C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001590323651 1283466402 /nfs/dbraw/zinc/46/64/02/1283466402.db2.gz KUGOQRNNUTYWSZ-WPRPVWTQSA-N -2 0 359.346 0.331 20 0 FCADRL CC[C@@H](C[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C(=O)[O-] ZINC001590445900 1283541992 /nfs/dbraw/zinc/54/19/92/1283541992.db2.gz BVVQYNAQVQHJLU-LURJTMIESA-N -2 0 361.330 0.534 20 0 FCADRL CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001590489325 1283562246 /nfs/dbraw/zinc/56/22/46/1283562246.db2.gz NCDXZRLSKIAZOI-GFCCVEGCSA-N -2 0 357.417 0.804 20 0 FCADRL C[C@]12CCC(=O)N1[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)CS2 ZINC001604605746 1287681355 /nfs/dbraw/zinc/68/13/55/1287681355.db2.gz LPTKWWISLJPWCK-OQPBUACISA-N -2 0 374.396 0.237 20 0 FCADRL CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001591005023 1284066861 /nfs/dbraw/zinc/06/68/61/1284066861.db2.gz SYUHZFOSBVGEKN-UHFFFAOYSA-N -2 0 362.371 0.962 20 0 FCADRL COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001591270041 1284423882 /nfs/dbraw/zinc/42/38/82/1284423882.db2.gz SXQHOZUTJRJXMO-UHFFFAOYSA-N -2 0 363.355 0.976 20 0 FCADRL CO[C@H]1CC[C@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1 ZINC001591347032 1284484099 /nfs/dbraw/zinc/48/40/99/1284484099.db2.gz AINVVIVIQBJDGZ-WPRPVWTQSA-N -2 0 359.346 0.473 20 0 FCADRL COCC1(C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCCC1 ZINC001591385916 1284526969 /nfs/dbraw/zinc/52/69/69/1284526969.db2.gz DNDBLGINGCQGFM-UHFFFAOYSA-N -2 0 373.373 0.865 20 0 FCADRL COCCn1cc([N-]S(=O)(=O)c2ccsc2-c2nnn[n-]2)cn1 ZINC001591450927 1284612682 /nfs/dbraw/zinc/61/26/82/1284612682.db2.gz WRCKRGPPEUEEKG-UHFFFAOYSA-N -2 0 355.405 0.572 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1 ZINC001604701161 1287739188 /nfs/dbraw/zinc/73/91/88/1287739188.db2.gz AJPBDCSGDPTRPH-UPOSSJBDSA-N -2 0 360.432 0.333 20 0 FCADRL Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC001591870753 1284958517 /nfs/dbraw/zinc/95/85/17/1284958517.db2.gz PZEVFPMVRFNDSF-SECBINFHSA-N -2 0 373.341 0.658 20 0 FCADRL Cc1nc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)ccc1C(=O)[O-] ZINC001592361157 1285276142 /nfs/dbraw/zinc/27/61/42/1285276142.db2.gz CNTMYNYXSVZUCC-UHFFFAOYSA-N -2 0 364.343 0.340 20 0 FCADRL O=C([O-])c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001593284247 1286064943 /nfs/dbraw/zinc/06/49/43/1286064943.db2.gz ZVXGDNGLSXXOMP-UHFFFAOYSA-N -2 0 361.339 0.909 20 0 FCADRL O=C(OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@H]1C[C@]12CCOC2 ZINC001593295065 1286067130 /nfs/dbraw/zinc/06/71/30/1286067130.db2.gz BRZIVJDOIRWRRW-BMIGLBTASA-N -2 0 357.330 0.085 20 0 FCADRL Cc1c(Cl)c(C(=O)[O-])sc1S(=O)(=O)NCCOCC(=O)[O-] ZINC001600058991 1286433850 /nfs/dbraw/zinc/43/38/50/1286433850.db2.gz UHHDHIZRZIORHV-UHFFFAOYSA-N -2 0 357.793 0.788 20 0 FCADRL Cc1c(S(=O)(=O)[N-]C(=O)CCc2ccc(C(=O)[O-])cc2)cnn1C ZINC001600056089 1286433920 /nfs/dbraw/zinc/43/39/20/1286433920.db2.gz WHNQNSBDKZDCCC-UHFFFAOYSA-N -2 0 351.384 0.864 20 0 FCADRL Cc1cc(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001600080343 1286437264 /nfs/dbraw/zinc/43/72/64/1286437264.db2.gz FIFKNCXKZHPLAE-ZETCQYMHSA-N -2 0 354.269 0.679 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c2cnn(C(C)C)c2n1 ZINC001600096155 1286440817 /nfs/dbraw/zinc/44/08/17/1286440817.db2.gz CMZVHAPHAAIVJX-UHFFFAOYSA-N -2 0 354.388 0.855 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccnn2C)c1C ZINC001600111778 1286442674 /nfs/dbraw/zinc/44/26/74/1286442674.db2.gz LXVYJLJNSKUBSL-ZDUSSCGKSA-N -2 0 367.383 0.839 20 0 FCADRL Cc1cc(C)cc(CS(=O)(=O)[N-]C(=O)Cn2cc(C(=O)[O-])cn2)c1 ZINC001600174367 1286449860 /nfs/dbraw/zinc/44/98/60/1286449860.db2.gz UPORYTMHNAWRSW-UHFFFAOYSA-N -2 0 351.384 0.844 20 0 FCADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)NCCSCC(=O)[O-] ZINC001600225849 1286454396 /nfs/dbraw/zinc/45/43/96/1286454396.db2.gz XQDZINZVVBYICY-UHFFFAOYSA-N -2 0 351.377 0.928 20 0 FCADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1 ZINC001600223312 1286454739 /nfs/dbraw/zinc/45/47/39/1286454739.db2.gz COPNRUGDHARXMC-LBPRGKRZSA-N -2 0 371.346 0.670 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)CO[C@H](C)c2nccn2C)oc1C(=O)[O-] ZINC001600297233 1286471414 /nfs/dbraw/zinc/47/14/14/1286471414.db2.gz LMUBASBMMQCYRN-SECBINFHSA-N -2 0 371.371 0.602 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)C(C)(C)c2cnn(C)c2)oc1C(=O)[O-] ZINC001600296219 1286471579 /nfs/dbraw/zinc/47/15/79/1286471579.db2.gz RSHIOJLNXUAZCC-UHFFFAOYSA-N -2 0 355.372 0.802 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)C2C[C@@H]3COC[C@H](C2)C3=O)oc1C(=O)[O-] ZINC001600296377 1286471922 /nfs/dbraw/zinc/47/19/22/1286471922.db2.gz CRTWBRGVKLMFDJ-PBINXNQUSA-N -2 0 371.367 0.333 20 0 FCADRL Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cc1C ZINC001600402809 1286482542 /nfs/dbraw/zinc/48/25/42/1286482542.db2.gz TWJHADQAHLYIFI-LBPRGKRZSA-N -2 0 354.384 0.872 20 0 FCADRL Cc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1-n1cnnn1 ZINC001600464060 1286489832 /nfs/dbraw/zinc/48/98/32/1286489832.db2.gz RIXLIAWFYGELPN-UHFFFAOYSA-N -2 0 366.384 0.926 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600475662 1286492471 /nfs/dbraw/zinc/49/24/71/1286492471.db2.gz BRRHMBXJUDTFTB-ZYHUDNBSSA-N -3 0 371.367 0.489 20 0 FCADRL Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c(C(=O)[O-])c1 ZINC001600478567 1286494034 /nfs/dbraw/zinc/49/40/34/1286494034.db2.gz AYHXJCLFFOLESF-NSHDSACASA-N -2 0 353.356 0.391 20 0 FCADRL Cc1cccc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccnn2C)c1C(=O)[O-] ZINC001600551686 1286506369 /nfs/dbraw/zinc/50/63/69/1286506369.db2.gz YCNITGRORXPQNA-LBPRGKRZSA-N -2 0 353.356 0.531 20 0 FCADRL Cc1cnn(C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)C(=O)[O-])c1 ZINC001600637036 1286518552 /nfs/dbraw/zinc/51/85/52/1286518552.db2.gz VCVJXVHYQNVKMJ-GFCCVEGCSA-N -2 0 367.383 0.630 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)N[C@H](CC(=O)[O-])c2cccs2)c1C(=O)[O-] ZINC001600673895 1286524904 /nfs/dbraw/zinc/52/49/04/1286524904.db2.gz WRKYAFPGWLMYLG-SSDOTTSWSA-N -2 0 359.385 0.972 20 0 FCADRL Cc1nn2cc(S(=O)(=O)[N-]c3cnc(C(=O)[O-])cn3)cnc2c1Cl ZINC001600790454 1286545831 /nfs/dbraw/zinc/54/58/31/1286545831.db2.gz GYUNVPXHXCBVNG-UHFFFAOYSA-N -2 0 368.762 0.980 20 0 FCADRL Cc1oc(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cc1C(=O)[O-] ZINC001600855689 1286558044 /nfs/dbraw/zinc/55/80/44/1286558044.db2.gz VKWOOLZGKCSFHB-NSHDSACASA-N -2 0 354.340 0.655 20 0 FCADRL Cc1oc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)cc1C(=O)[O-] ZINC001600855554 1286558085 /nfs/dbraw/zinc/55/80/85/1286558085.db2.gz PEMLKASKTJOWCL-HTQZYQBOSA-N -2 0 353.299 0.873 20 0 FCADRL Cc1sc([C@@H]2CCCN2C(=O)C(=O)NCCCC(=O)[O-])nc1C(=O)[O-] ZINC001600877636 1286561178 /nfs/dbraw/zinc/56/11/78/1286561178.db2.gz YBGVNWZRVHEPDZ-VIFPVBQESA-N -2 0 369.399 0.794 20 0 FCADRL Cn1cc(-c2ccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])nn2)cn1 ZINC001600922369 1286569876 /nfs/dbraw/zinc/56/98/76/1286569876.db2.gz BKLWCLPTLLKGGZ-UHFFFAOYSA-N -2 0 366.384 0.833 20 0 FCADRL Cn1ncc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC001601008096 1286596156 /nfs/dbraw/zinc/59/61/56/1286596156.db2.gz XQATVRNUTRSALR-UHFFFAOYSA-N -2 0 353.282 0.671 20 0 FCADRL Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001601021471 1286602940 /nfs/dbraw/zinc/60/29/40/1286602940.db2.gz HBKRWIDDTSJYRW-QGZVFWFLSA-N -2 0 374.353 0.216 20 0 FCADRL NC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC001601154494 1286661410 /nfs/dbraw/zinc/66/14/10/1286661410.db2.gz KMEOZJLCFOMOMQ-SSDOTTSWSA-N -2 0 361.401 0.042 20 0 FCADRL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cccc(CC(=O)[O-])c2)s1 ZINC001601167609 1286669368 /nfs/dbraw/zinc/66/93/68/1286669368.db2.gz VVYZMGIQPRAAPL-UHFFFAOYSA-N -2 0 368.392 0.593 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC001601199700 1286694794 /nfs/dbraw/zinc/69/47/94/1286694794.db2.gz GSFWROQGTVWDKS-ZDUSSCGKSA-N -2 0 356.400 0.803 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC001601200115 1286695695 /nfs/dbraw/zinc/69/56/95/1286695695.db2.gz UTSUAKXDLKDVFG-NSHDSACASA-N -2 0 354.384 0.367 20 0 FCADRL O=C([O-])c1ccn(CCCC(=O)N[C@H](c2nnn[n-]2)c2ccccc2)n1 ZINC001601271816 1286709783 /nfs/dbraw/zinc/70/97/83/1286709783.db2.gz HRXKCOKIMLABML-AWEZNQCLSA-N -2 0 355.358 0.780 20 0 FCADRL O=C([O-])[C@H](NC(=O)CCc1nnn[n-]1)c1ccccc1OC(F)(F)F ZINC001601295829 1286714117 /nfs/dbraw/zinc/71/41/17/1286714117.db2.gz DNPYMTUTMRYIAA-LLVKDONJSA-N -2 0 359.264 0.973 20 0 FCADRL O=C([O-])[C@@H](NC(=O)CCc1nnn[n-]1)c1ccccc1Br ZINC001601295975 1286714318 /nfs/dbraw/zinc/71/43/18/1286714318.db2.gz MTYBQJMOMYUNOA-NSHDSACASA-N -2 0 354.164 0.837 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)CCn2ccccc2=O)c1 ZINC001601300148 1286715457 /nfs/dbraw/zinc/71/54/57/1286715457.db2.gz YKRBATMROONMOV-UHFFFAOYSA-N -2 0 364.379 0.583 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)CN2CCN(C3CC3)C2=O)c1 ZINC001601315080 1286723413 /nfs/dbraw/zinc/72/34/13/1286723413.db2.gz SYAVWCRMHDXDMV-UHFFFAOYSA-N -2 0 367.383 0.090 20 0 FCADRL O=C([O-])c1cn(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)c2ccccc12 ZINC001601378394 1286736592 /nfs/dbraw/zinc/73/65/92/1286736592.db2.gz VCONGUSMAHNHQD-LLVKDONJSA-N -2 0 366.395 0.822 20 0 FCADRL O=C([O-])[C@@H](Cn1ccnc1)NC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001601426628 1286745665 /nfs/dbraw/zinc/74/56/65/1286745665.db2.gz ZWIQPSGCJUKITC-LLVKDONJSA-N -2 0 359.317 0.797 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CCCNC(=O)c2cccc(F)c2)on1 ZINC001601499150 1286768117 /nfs/dbraw/zinc/76/81/17/1286768117.db2.gz HHRQCDZVEDLFRQ-UHFFFAOYSA-N -2 0 371.346 0.610 20 0 FCADRL O=C([O-])c1cccc2c1CCN(C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)C2 ZINC001601566855 1286786631 /nfs/dbraw/zinc/78/66/31/1286786631.db2.gz QBUSJWXTPJZESV-CMPLNLGQSA-N -2 0 360.366 0.639 20 0 FCADRL O=C([O-])[C@H]1CC(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])=NN1c1ccccc1 ZINC001601750717 1286820866 /nfs/dbraw/zinc/82/08/66/1286820866.db2.gz KCDBECASCQBWSL-RDBSUJKOSA-N -2 0 361.354 0.142 20 0 FCADRL O=C([O-])[C@H]1N(S(=O)(=O)CC2(C(=O)[O-])CCCC2)CC12CCOCC2 ZINC001601867678 1286858293 /nfs/dbraw/zinc/85/82/93/1286858293.db2.gz GJFRMLJZGNTZHZ-LLVKDONJSA-N -2 0 361.416 0.527 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C1CCOCC1 ZINC001601909487 1286867197 /nfs/dbraw/zinc/86/71/97/1286867197.db2.gz RZINSWSXNPYLPQ-CYBMUJFWSA-N -2 0 357.384 0.933 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)N2C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C2)CC1 ZINC001601921332 1286871123 /nfs/dbraw/zinc/87/11/23/1286871123.db2.gz BGDJOGUVHRHCRQ-YUMQZZPRSA-N -2 0 359.322 0.766 20 0 FCADRL O=C([O-])C[C@@]1([N-]S(=O)(=O)c2occc2Br)CCOC1 ZINC001601938358 1286877730 /nfs/dbraw/zinc/87/77/30/1286877730.db2.gz NBHZDCVJQODFMZ-JTQLQIEISA-N -2 0 354.178 0.954 20 0 FCADRL O=C([O-])C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CCO1 ZINC001601958401 1286884685 /nfs/dbraw/zinc/88/46/85/1286884685.db2.gz KSMZPBSNNHUDRA-TZMCWYRMSA-N -2 0 361.354 0.408 20 0 FCADRL O=C([O-])CCNC(=O)c1ccc(NC(=O)C(=O)[N-]OC/C=C/Cl)cc1 ZINC001602023220 1286906382 /nfs/dbraw/zinc/90/63/82/1286906382.db2.gz GUCHMAITEMNZDL-LREOWRDNSA-N -2 0 369.761 0.630 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC001602028785 1286909289 /nfs/dbraw/zinc/90/92/89/1286909289.db2.gz ZVDWDEXUAGGLCE-OAHLLOKOSA-N -2 0 371.411 0.844 20 0 FCADRL O=C([O-])CN(CCO)S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001602056085 1286914208 /nfs/dbraw/zinc/91/42/08/1286914208.db2.gz FGCXTULELXPOOS-UHFFFAOYSA-N -2 0 371.289 0.471 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001602097055 1286933450 /nfs/dbraw/zinc/93/34/50/1286933450.db2.gz GQGFMGBCOYORCO-UHFFFAOYSA-N -2 0 351.262 0.497 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001602096860 1286934117 /nfs/dbraw/zinc/93/41/17/1286934117.db2.gz ILQVYVMDKBEPIU-LLVKDONJSA-N -2 0 372.374 0.209 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC001602096598 1286934532 /nfs/dbraw/zinc/93/45/32/1286934532.db2.gz AKULKTINJUHJGX-TUAOUCFPSA-N -2 0 368.415 0.145 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)C1(Cc2ccc(F)cc2)CCOCC1 ZINC001602096888 1286934615 /nfs/dbraw/zinc/93/46/15/1286934615.db2.gz JVSFUYWTPKYQCA-UHFFFAOYSA-N -2 0 359.375 0.696 20 0 FCADRL O=C([O-])CSCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001602099972 1286936419 /nfs/dbraw/zinc/93/64/19/1286936419.db2.gz SFOWYZQFGIXQBX-UHFFFAOYSA-N -2 0 355.340 0.759 20 0 FCADRL O=C([O-])CSCCNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC001602099691 1286937326 /nfs/dbraw/zinc/93/73/26/1286937326.db2.gz AAZHQSKNZKMXJQ-UHFFFAOYSA-N -2 0 355.340 0.759 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cc1 ZINC001602131699 1286944436 /nfs/dbraw/zinc/94/44/36/1286944436.db2.gz IGILUDAUNCRLJX-GFCCVEGCSA-N -2 0 353.356 0.011 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])cc1F ZINC001602131761 1286944616 /nfs/dbraw/zinc/94/46/16/1286944616.db2.gz LMLAMEHXTBGMGB-VIFPVBQESA-N -2 0 355.290 0.840 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)cc1 ZINC001602132661 1286944736 /nfs/dbraw/zinc/94/47/36/1286944736.db2.gz ZCGNAEDHAXTXON-GHMZBOCLSA-N -2 0 363.338 0.900 20 0 FCADRL O=C([O-])Cc1csc(CCNS(=O)(=O)c2ccc(C(=O)[O-])o2)n1 ZINC001602149659 1286948317 /nfs/dbraw/zinc/94/83/17/1286948317.db2.gz WYAWUIHTWXJPBK-UHFFFAOYSA-N -2 0 360.369 0.582 20 0 FCADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)c1F ZINC001602266639 1286977528 /nfs/dbraw/zinc/97/75/28/1286977528.db2.gz KUEJZGXGGZNHBW-GFCCVEGCSA-N -2 0 367.738 0.699 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)c[nH]1 ZINC001602288548 1286981240 /nfs/dbraw/zinc/98/12/40/1286981240.db2.gz CPNLUTFAUGKQPP-GFCCVEGCSA-N -2 0 352.324 0.754 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c(F)cc1Cl ZINC001602292289 1286983037 /nfs/dbraw/zinc/98/30/37/1286983037.db2.gz BRNIBWGBIJYERD-MLUIRONXSA-N -2 0 367.738 0.386 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCc3ccccc3NC2=O)on1 ZINC001602293044 1286983834 /nfs/dbraw/zinc/98/38/34/1286983834.db2.gz FGWONSRJYQDAFJ-JTQLQIEISA-N -2 0 351.340 0.605 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2COc3c(F)cc(F)cc3C2)on1 ZINC001602292887 1286984023 /nfs/dbraw/zinc/98/40/23/1286984023.db2.gz AMRGDZAHMSFQPB-MRVPVSSYSA-N -2 0 360.294 0.933 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCN(C(=O)c3ccccc3)C2)on1 ZINC001602294255 1286985235 /nfs/dbraw/zinc/98/52/35/1286985235.db2.gz WMSLTYVFMFTYON-NSHDSACASA-N -2 0 365.367 0.566 20 0 FCADRL O=C([O-])c1ccc(=O)n(CC(=O)C2([N-]C(=O)C(F)(F)F)CCCC2)n1 ZINC001602313303 1286988382 /nfs/dbraw/zinc/98/83/82/1286988382.db2.gz ZMUKIVZHZZIWQZ-UHFFFAOYSA-N -2 0 361.276 0.502 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)cc1F ZINC001602394076 1286993495 /nfs/dbraw/zinc/99/34/95/1286993495.db2.gz LKUMVAIIEQEYRV-PRHODGIISA-N -2 0 361.347 0.370 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cn1 ZINC001602393628 1286994021 /nfs/dbraw/zinc/99/40/21/1286994021.db2.gz XCDALSCEMDFHEA-LLVKDONJSA-N -2 0 368.289 0.808 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)c2cnn3ccncc23)s1 ZINC001602395700 1286994298 /nfs/dbraw/zinc/99/42/98/1286994298.db2.gz GAZJQDWEKOYWOI-UHFFFAOYSA-N -2 0 352.353 0.608 20 0 FCADRL O=C([O-])c1ccc2c(c1)OCCN(C(=O)CSc1n[nH]c(=O)[n-]1)C2 ZINC001602425769 1287000849 /nfs/dbraw/zinc/00/08/49/1287000849.db2.gz ZBNKSWYJZNSYCQ-UHFFFAOYSA-N -2 0 350.356 0.722 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)c2noc3c2COCC3)c1 ZINC001602440512 1287001978 /nfs/dbraw/zinc/00/19/78/1287001978.db2.gz URACVPFDUMDXPQ-UHFFFAOYSA-N -2 0 366.351 0.705 20 0 FCADRL O=C([O-])c1cccc2c1cccc2S(=O)(=O)NCC[C@H](O)C(=O)[O-] ZINC001602454276 1287004244 /nfs/dbraw/zinc/00/42/44/1287004244.db2.gz DRFSTFCMHKIBMU-LBPRGKRZSA-N -2 0 353.352 0.652 20 0 FCADRL O=C([O-])c1ccsc1N1CC[C@@H](NC(=O)[C@H](C(=O)[O-])C2CC2)C1=O ZINC001602489992 1287010130 /nfs/dbraw/zinc/01/01/30/1287010130.db2.gz HEXBQFGTNJSZOM-NXEZZACHSA-N -2 0 352.368 0.779 20 0 FCADRL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC001602507233 1287019221 /nfs/dbraw/zinc/01/92/21/1287019221.db2.gz SSPHDDMTSJGQHF-UHFFFAOYSA-N -2 0 352.357 0.822 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)NCc2nnc(C3CCOCC3)[nH]2)c1 ZINC001602559453 1287025474 /nfs/dbraw/zinc/02/54/74/1287025474.db2.gz UECYWESHURKLHQ-UHFFFAOYSA-N -2 0 356.360 0.468 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2c2nccs2)c1 ZINC001602556651 1287026273 /nfs/dbraw/zinc/02/62/73/1287026273.db2.gz KIFBFGYOEVVEHC-VIFPVBQESA-N -2 0 371.396 0.908 20 0 FCADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001602570555 1287028380 /nfs/dbraw/zinc/02/83/80/1287028380.db2.gz PRPRCBVWFMXOQN-RCOVLWMOSA-N -2 0 364.763 0.201 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1 ZINC001602598363 1287033423 /nfs/dbraw/zinc/03/34/23/1287033423.db2.gz BJXFOBNTICVCAV-GHMZBOCLSA-N -2 0 371.392 0.911 20 0 FCADRL O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001602627812 1287039456 /nfs/dbraw/zinc/03/94/56/1287039456.db2.gz LGEXBQJAHKECKN-SFHVURJKSA-N -2 0 352.350 0.891 20 0 FCADRL O=C([O-])C(F)=C(Nc1cccnc1Cl)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001602655985 1287051344 /nfs/dbraw/zinc/05/13/44/1287051344.db2.gz JLPPODGCGVHLEJ-ZCFIWIBFSA-N -2 0 358.738 0.355 20 0 FCADRL CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nn2)cc1 ZINC001603050081 1287197399 /nfs/dbraw/zinc/19/73/99/1287197399.db2.gz SYXLRASFTLVXCI-UHFFFAOYSA-N -2 0 364.383 0.654 20 0 FCADRL CC[C@H](NS(=O)(=O)c1cc(/C=C/C(=O)[O-])cc(OC)c1OC)C(=O)[O-] ZINC001605103692 1287881083 /nfs/dbraw/zinc/88/10/83/1287881083.db2.gz KBEBGMSJLPQLLU-PORFMDCZSA-N -2 0 373.383 0.943 20 0 FCADRL CCOC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001605551262 1287998129 /nfs/dbraw/zinc/99/81/29/1287998129.db2.gz PXMZANIKQUQABL-VIFPVBQESA-N -2 0 374.371 0.651 20 0 FCADRL CCc1ccc(NC(=C(F)C(=O)[O-])c2c([O-])[nH]c(=S)[nH]c2=O)cc1 ZINC001605816221 1288092728 /nfs/dbraw/zinc/09/27/28/1288092728.db2.gz MUPYAILTGOEFOV-JTQLQIEISA-N -2 0 351.359 0.869 20 0 FCADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])n1 ZINC001605832220 1288096520 /nfs/dbraw/zinc/09/65/20/1288096520.db2.gz IJEDWRBRMQFELM-ZDUSSCGKSA-N -2 0 372.381 0.556 20 0 FCADRL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1cnc(C(=O)[O-])cn1 ZINC001605889210 1288101370 /nfs/dbraw/zinc/10/13/70/1288101370.db2.gz HPUZDKBEXGLPOO-UHFFFAOYSA-N -2 0 355.328 0.918 20 0 FCADRL CCn1nccc1C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001605945450 1288107437 /nfs/dbraw/zinc/10/74/37/1288107437.db2.gz PFIVEACSWYIBBX-UHFFFAOYSA-N -2 0 367.383 0.657 20 0 FCADRL CCn1[n-]nnc1=NC(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001605951972 1288111127 /nfs/dbraw/zinc/11/11/27/1288111127.db2.gz NKNSEZPBFSKYGY-UHFFFAOYSA-N -2 0 369.179 0.897 20 0 FCADRL CN([C@H](C(=O)[O-])c1ccccc1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001605989448 1288120176 /nfs/dbraw/zinc/12/01/76/1288120176.db2.gz LDTJAKQTIVLNBH-ZDUSSCGKSA-N -2 0 353.356 0.414 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(F)cc2)C1 ZINC001606105847 1288167636 /nfs/dbraw/zinc/16/76/36/1288167636.db2.gz RPCUGECLMBHGCC-OLZOCXBDSA-N -2 0 374.390 0.577 20 0 FCADRL CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001606283931 1288254054 /nfs/dbraw/zinc/25/40/54/1288254054.db2.gz PJRVBXZLDCLBEO-UHFFFAOYSA-N -2 0 352.372 0.718 20 0 FCADRL CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001606283969 1288254360 /nfs/dbraw/zinc/25/43/60/1288254360.db2.gz RKHBUKMRXRTMAY-UHFFFAOYSA-N -2 0 356.335 0.716 20 0 FCADRL COC(=O)C12CC(C(=O)[N-]S(=O)(=O)c3ccsc3C(=O)[O-])(C1)C2 ZINC001606356798 1288271327 /nfs/dbraw/zinc/27/13/27/1288271327.db2.gz FXLDGOAGTHORNK-UHFFFAOYSA-N -2 0 359.381 0.595 20 0 FCADRL O=C(/C=C/[C@@H]1CCOC1)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001606480752 1288339554 /nfs/dbraw/zinc/33/95/54/1288339554.db2.gz RPKBBBVZAKVJLC-GPYPMJJRSA-N -2 0 357.330 0.251 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2[C@@H](C(=O)[O-])C2(F)F)oc1Cl ZINC001606570577 1288390925 /nfs/dbraw/zinc/39/09/25/1288390925.db2.gz UPIGVWHENNYMKQ-FSPLSTOPSA-N -2 0 373.717 0.964 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCC(C)(C)CC(=O)[O-])c1 ZINC001606578603 1288392056 /nfs/dbraw/zinc/39/20/56/1288392056.db2.gz ATTUNZXUQPYAEU-UHFFFAOYSA-N -2 0 373.383 0.951 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cn(C)nc1OC ZINC001606584517 1288396397 /nfs/dbraw/zinc/39/63/97/1288396397.db2.gz OESIGODNWYLJPY-UHFFFAOYSA-N -2 0 369.355 0.714 20 0 FCADRL COC(=O)c1ccoc1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCOCC1 ZINC001606622808 1288414409 /nfs/dbraw/zinc/41/44/09/1288414409.db2.gz FJHKTXNVTFNGHU-UHFFFAOYSA-N -2 0 361.372 0.616 20 0 FCADRL COC(=O)c1coc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001606631019 1288416318 /nfs/dbraw/zinc/41/63/18/1288416318.db2.gz NPCYGRYJDPXSPA-RKDXNWHRSA-N -2 0 359.356 0.762 20 0 FCADRL CO[C@@H](CS(=O)(=O)[N-]c1nc(CC(=O)[O-])cs1)[C@H]1CCOC1 ZINC001606683625 1288439378 /nfs/dbraw/zinc/43/93/78/1288439378.db2.gz XVPVVZHZWUQURS-WPRPVWTQSA-N -2 0 350.418 0.563 20 0 FCADRL CO[C@H](CS(=O)(=O)[N-]c1ncn(CC(=O)[O-])n1)c1ccc(F)cc1 ZINC001606682677 1288439914 /nfs/dbraw/zinc/43/99/14/1288439914.db2.gz HPXFSQITXUWJGT-LLVKDONJSA-N -2 0 358.351 0.631 20 0 FCADRL COc1cc(CN(CC(=O)[O-])[C@@H]2CCN(CC(=O)[O-])C2=O)cc(OC)c1 ZINC001607159136 1288674856 /nfs/dbraw/zinc/67/48/56/1288674856.db2.gz VJOVCCLZXACGPM-CQSZACIVSA-N -2 0 366.370 0.276 20 0 FCADRL COc1cc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)ccc1C(=O)[O-] ZINC001607171916 1288678379 /nfs/dbraw/zinc/67/83/79/1288678379.db2.gz ZCGGARZRFGDTFD-VHSXEESVSA-N -2 0 364.354 0.901 20 0 FCADRL COc1cc(NC(=O)C(=O)[N-]O[C@@H]2CCCCO2)c(C(=O)[O-])cc1OC ZINC001607173012 1288678471 /nfs/dbraw/zinc/67/84/71/1288678471.db2.gz DOVWCXNQSRGSMR-CYBMUJFWSA-N -2 0 368.342 0.915 20 0 FCADRL COc1ccc(C(=O)N2CCOCC2)cc1[N-]S(=O)(=O)CCC(=O)[O-] ZINC001607203566 1288683943 /nfs/dbraw/zinc/68/39/43/1288683943.db2.gz BGHPULZYHBLYQI-UHFFFAOYSA-N -2 0 372.399 0.384 20 0 FCADRL COc1ccc(S(=O)(=O)N2[C@H](C(=O)[O-])CS[C@H]2C)cc1C(=O)[O-] ZINC001607284544 1288693269 /nfs/dbraw/zinc/69/32/69/1288693269.db2.gz HIMDISCPLHYZHE-XVKPBYJWSA-N -2 0 361.397 0.930 20 0 FCADRL COc1cccc(-c2nc(C)c(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])[nH]2)c1 ZINC001607303484 1288698408 /nfs/dbraw/zinc/69/84/08/1288698408.db2.gz ZNDAURYANRGOTJ-UHFFFAOYSA-N -2 0 367.383 0.928 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001607376381 1288701742 /nfs/dbraw/zinc/70/17/42/1288701742.db2.gz DDKDPEPTOOMGKJ-BXKDBHETSA-N -2 0 374.390 0.664 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])nn1C1CCOCC1 ZINC001607579782 1288727337 /nfs/dbraw/zinc/72/73/37/1288727337.db2.gz HHXUYAZHVSPWQX-GHMZBOCLSA-N -2 0 373.431 0.712 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c(C)n1[C@@H]1CCCOC1 ZINC001607579826 1288727713 /nfs/dbraw/zinc/72/77/13/1288727713.db2.gz IYZJJJBFGBBJHJ-VXGBXAGGSA-N -2 0 358.416 0.989 20 0 FCADRL Cn1cc([C@@H](NS(=O)(=O)Cc2ccccc2C(=O)[O-])C(=O)[O-])cn1 ZINC001608107714 1288770188 /nfs/dbraw/zinc/77/01/88/1288770188.db2.gz ZVTXULDLRBHULK-GFCCVEGCSA-N -2 0 353.356 0.364 20 0 FCADRL Cn1cc(S(=O)(=O)NC[C@@H](Cc2ccccn2)C(=O)[O-])cc1C(=O)[O-] ZINC001608121497 1288773640 /nfs/dbraw/zinc/77/36/40/1288773640.db2.gz FROVSFDWTHHRHI-SNVBAGLBSA-N -2 0 367.383 0.340 20 0 FCADRL Cn1ncc2c1C[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])CC2 ZINC001608160710 1288784293 /nfs/dbraw/zinc/78/42/93/1288784293.db2.gz QPIRFKNOXBSJMD-MRVPVSSYSA-N -2 0 369.424 0.790 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)CC(=O)CC[N-]C(=O)C(F)(F)F)cc1 ZINC001608311415 1288817709 /nfs/dbraw/zinc/81/77/09/1288817709.db2.gz JJCXKZFPIMIYEY-UHFFFAOYSA-N -2 0 367.301 0.796 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)CCc2nnc[nH]2)cc1Cl ZINC001608323094 1288818938 /nfs/dbraw/zinc/81/89/38/1288818938.db2.gz WQDDQLTWOLFHST-UHFFFAOYSA-N -2 0 358.763 0.594 20 0 FCADRL O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC001608694576 1288866221 /nfs/dbraw/zinc/86/62/21/1288866221.db2.gz INPGLLSIQJJMEY-WCFLWFBJSA-N -2 0 352.387 0.269 20 0 FCADRL O=C([O-])CCCNC(=O)C(=O)N1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001608714318 1288868338 /nfs/dbraw/zinc/86/83/38/1288868338.db2.gz BPAVQUMFPFHJQA-UHFFFAOYSA-N -2 0 369.399 0.076 20 0 FCADRL O=C([O-])CCCS(=O)(=O)N[C@@H](Cc1c[nH]c2ncccc12)C(=O)[O-] ZINC001608718429 1288869053 /nfs/dbraw/zinc/86/90/53/1288869053.db2.gz RWTVXBVTXVDLPM-NSHDSACASA-N -2 0 355.372 0.343 20 0 FCADRL O=C([O-])CCN(CCO)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001608721579 1288870057 /nfs/dbraw/zinc/87/00/57/1288870057.db2.gz GBUHZXSUGLXGHN-UHFFFAOYSA-N -2 0 353.299 0.121 20 0 FCADRL O=C([O-])CCc1cccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC001608739208 1288872039 /nfs/dbraw/zinc/87/20/39/1288872039.db2.gz DYFYZGQSMBYNDX-CYBMUJFWSA-N -2 0 364.354 0.344 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)NC[C@@H](Cc2ccccn2)C(=O)[O-])c[nH]1 ZINC001608861133 1288878014 /nfs/dbraw/zinc/87/80/14/1288878014.db2.gz RJQKHUHRVGIBHM-SECBINFHSA-N -2 0 353.356 0.330 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])s1 ZINC001608910873 1288878907 /nfs/dbraw/zinc/87/89/07/1288878907.db2.gz NEJQGWBKTHWBJK-VIFPVBQESA-N -2 0 356.381 0.816 20 0 FCADRL O=C([O-])c1cn([C@H]2CCN(C(=O)NC[C@H](C(=O)[O-])C3CCC3)C2)nn1 ZINC001608959821 1288881129 /nfs/dbraw/zinc/88/11/29/1288881129.db2.gz LZVQWZMCKXFVEP-QWRGUYRKSA-N -2 0 351.363 0.434 20 0 FCADRL O=C([O-])c1cn([C@@H]2CCN(C(=O)NC[C@H](C(=O)[O-])C3CCC3)C2)nn1 ZINC001608959820 1288881271 /nfs/dbraw/zinc/88/12/71/1288881271.db2.gz LZVQWZMCKXFVEP-MNOVXSKESA-N -2 0 351.363 0.434 20 0 FCADRL O=C(c1ccc(-c2nn[nH]n2)c([O-])c1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001609580993 1289238897 /nfs/dbraw/zinc/23/88/97/1289238897.db2.gz KEFOOFULFXPNHV-SECBINFHSA-N -2 0 356.346 0.416 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(-n2cccn2)n1 ZINC001609638583 1289270376 /nfs/dbraw/zinc/27/03/76/1289270376.db2.gz IERGFCGJCSPDGY-UWVGGRQHSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1C(F)(F)F ZINC001609638760 1289270566 /nfs/dbraw/zinc/27/05/66/1289270566.db2.gz KYNFSVQMPPPCRQ-NTSWFWBYSA-N -2 0 357.310 0.608 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CCNC(=O)c1cccs1 ZINC001609639439 1289270646 /nfs/dbraw/zinc/27/06/46/1289270646.db2.gz XTYRASASXBURGL-RKDXNWHRSA-N -2 0 362.429 0.423 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(OCC(F)F)n1 ZINC001609638681 1289270652 /nfs/dbraw/zinc/27/06/52/1289270652.db2.gz JLPKYLRCXVLNMO-YUMQZZPRSA-N -2 0 366.342 0.894 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1nn(C)cc1Br ZINC001609639380 1289270684 /nfs/dbraw/zinc/27/06/84/1289270684.db2.gz WHTRPPWONYEREF-RITPCOANSA-N -2 0 368.209 0.351 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)c1cccs1 ZINC001609639438 1289270821 /nfs/dbraw/zinc/27/08/21/1289270821.db2.gz XTYRASASXBURGL-IUCAKERBSA-N -2 0 362.429 0.423 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC001609642751 1289271649 /nfs/dbraw/zinc/27/16/49/1289271649.db2.gz CSMYQBFUBZRTDZ-SNVBAGLBSA-N -2 0 370.427 0.882 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC001609642226 1289271716 /nfs/dbraw/zinc/27/17/16/1289271716.db2.gz JNVSWYUXNNBWCV-QMMMGPOBSA-N -2 0 353.356 0.187 20 0 FCADRL CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)[N-]S(=O)(=O)CC1CC1 ZINC001609665142 1289276971 /nfs/dbraw/zinc/27/69/71/1289276971.db2.gz SLPOSQZZHDLUCL-SNVBAGLBSA-N -2 0 364.420 0.601 20 0 FCADRL C[C@](O)(CNC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1)C(=O)[O-] ZINC001609785964 1289297391 /nfs/dbraw/zinc/29/73/91/1289297391.db2.gz URIBUZRIWZYERE-NSHDSACASA-N -2 0 370.305 0.514 20 0 FCADRL C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)C1 ZINC001609811986 1289302489 /nfs/dbraw/zinc/30/24/89/1289302489.db2.gz WJWILFCCVIMLIS-PXAZEXFGSA-N -2 0 362.338 0.188 20 0 FCADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCc2cccc(C(=O)[O-])c2)C1 ZINC001609839593 1289309656 /nfs/dbraw/zinc/30/96/56/1289309656.db2.gz LQZPDISRVKPEHM-BXUZGUMPSA-N -2 0 362.382 0.613 20 0 FCADRL C[C@H]1CCN(C(=O)C(=O)NCCc2ccc(C(=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC001609856192 1289312620 /nfs/dbraw/zinc/31/26/20/1289312620.db2.gz HTWDOZJFCCUSIU-SMDDNHRTSA-N -2 0 362.382 0.613 20 0 FCADRL C[C@@H]1CN(c2ccc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cn2)C[C@@H](C)O1 ZINC001609873648 1289321798 /nfs/dbraw/zinc/32/17/98/1289321798.db2.gz OPAIMCGZVWTATA-GHMZBOCLSA-N -2 0 371.415 0.230 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCN1c2ccccc2O[C@H](C)C1=O ZINC001609879788 1289324614 /nfs/dbraw/zinc/32/46/14/1289324614.db2.gz HORDTLNXAJNCFW-ZJUUUORDSA-N -2 0 370.383 0.110 20 0 FCADRL CCN(C)C(=O)c1cccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001609990380 1289338015 /nfs/dbraw/zinc/33/80/15/1289338015.db2.gz IZBBSJPZCGFUFX-MNOVXSKESA-N -2 0 370.427 0.947 20 0 FCADRL CCOC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])nc1C ZINC001610022900 1289350172 /nfs/dbraw/zinc/35/01/72/1289350172.db2.gz QNZIMLBYYWHFAE-WPRPVWTQSA-N -2 0 372.399 0.736 20 0 FCADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C(=O)OC)cnn1C ZINC001610076556 1289364270 /nfs/dbraw/zinc/36/42/70/1289364270.db2.gz AONHOXUAROEPID-UHFFFAOYSA-N -2 0 357.344 0.861 20 0 FCADRL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])[nH]2)c1 ZINC001610096553 1289368942 /nfs/dbraw/zinc/36/89/42/1289368942.db2.gz HPQJUHDMGBKVRK-UHFFFAOYSA-N -2 0 365.367 0.533 20 0 FCADRL CN(C)C(=O)c1cc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])ccc1F ZINC001610097459 1289370463 /nfs/dbraw/zinc/37/04/63/1289370463.db2.gz FUTSWCAFOIMDEN-UHFFFAOYSA-N -2 0 355.322 0.379 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@]2(CC(=O)[O-])CCOC2)c1 ZINC001610103203 1289373707 /nfs/dbraw/zinc/37/37/07/1289373707.db2.gz IYAVZBIGNWZYES-HNNXBMFYSA-N -2 0 372.399 0.006 20 0 FCADRL CN(C)c1ccc(NC(=C(F)C(=O)[O-])c2c([O-])[nH]c(=S)[nH]c2=O)cc1 ZINC001610105863 1289375306 /nfs/dbraw/zinc/37/53/06/1289375306.db2.gz ZNGHFBVREDJWEX-JTQLQIEISA-N -2 0 366.374 0.372 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N1CCc2ccccc2[C@@H]1CC(=O)[O-] ZINC001610114438 1289379017 /nfs/dbraw/zinc/37/90/17/1289379017.db2.gz PMUUPSXKDFNJIZ-ZDUSSCGKSA-N -2 0 356.400 0.712 20 0 FCADRL COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cc1F ZINC001610149259 1289399854 /nfs/dbraw/zinc/39/98/54/1289399854.db2.gz CLEPXOCICDPAPS-UHFFFAOYSA-N -2 0 361.347 0.783 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)n1 ZINC001610186109 1289415606 /nfs/dbraw/zinc/41/56/06/1289415606.db2.gz FLSCRNFZIBJDFB-UHFFFAOYSA-N -2 0 354.344 0.259 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)cn1 ZINC001610186712 1289416491 /nfs/dbraw/zinc/41/64/91/1289416491.db2.gz LPXAWPJWHVKMNT-UHFFFAOYSA-N -2 0 354.344 0.259 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-]c1nc(CC(=O)[O-])cs1 ZINC001610220103 1289430180 /nfs/dbraw/zinc/43/01/80/1289430180.db2.gz BKDRBQSGWAQQBX-UHFFFAOYSA-N -2 0 363.398 0.814 20 0 FCADRL COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001610258535 1289440745 /nfs/dbraw/zinc/44/07/45/1289440745.db2.gz OFBDCXVJFJEHCQ-SECBINFHSA-N -2 0 363.363 0.563 20 0 FCADRL COCCOc1ccnc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)n1 ZINC001610264983 1289443829 /nfs/dbraw/zinc/44/38/29/1289443829.db2.gz WDUDWNUGORVEJN-UHFFFAOYSA-N -2 0 357.344 0.902 20 0 FCADRL COc1ccc(-n2cc([O-])c(C(=O)N3CCC(O)(C(=O)[O-])CC3)n2)cc1 ZINC001610312020 1289457785 /nfs/dbraw/zinc/45/77/85/1289457785.db2.gz DIJWMCXPLQKCNX-UHFFFAOYSA-N -2 0 361.354 0.638 20 0 FCADRL COc1ccc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c(OC(F)F)c1 ZINC001610313032 1289459225 /nfs/dbraw/zinc/45/92/25/1289459225.db2.gz PLBFDZAAUJMJOU-UHFFFAOYSA-N -2 0 353.299 0.831 20 0 FCADRL COc1ccc([C@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)[O-])cc1F ZINC001610323388 1289459637 /nfs/dbraw/zinc/45/96/37/1289459637.db2.gz PMXVGRLDHBHDIX-NSHDSACASA-N -2 0 363.363 0.990 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)c2ccn(C)c2)c(CC(=O)[O-])c1 ZINC001610345771 1289466758 /nfs/dbraw/zinc/46/67/58/1289466758.db2.gz CTDGQKGPUQRCAG-UHFFFAOYSA-N -2 0 352.368 0.780 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N[C@H](C(=O)[O-])c2ccn(C)n2)c1 ZINC001610360354 1289469856 /nfs/dbraw/zinc/46/98/56/1289469856.db2.gz UYWHNXVMNHOUKC-BSEYFRJRSA-N -2 0 351.384 0.478 20 0 FCADRL CSc1cccc(N2C[C@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])CC2=O)c1 ZINC001610387067 1289477800 /nfs/dbraw/zinc/47/78/00/1289477800.db2.gz LKGTZJRNROOFHA-SECBINFHSA-N -2 0 372.424 0.292 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC001610397623 1289479837 /nfs/dbraw/zinc/47/98/37/1289479837.db2.gz UAUNSCOZZSMAIF-LLVKDONJSA-N -2 0 373.369 0.192 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])ccc1N1CCOCC1 ZINC001610436664 1289487297 /nfs/dbraw/zinc/48/72/97/1289487297.db2.gz HWOBYGMZKHEXRY-UHFFFAOYSA-N -2 0 356.400 0.366 20 0 FCADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC001610489723 1289495322 /nfs/dbraw/zinc/49/53/22/1289495322.db2.gz BVHZOWNKZYWIIY-BLLLJJGKSA-N -2 0 369.395 0.805 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)c(C(=O)[O-])c1 ZINC001610512297 1289498396 /nfs/dbraw/zinc/49/83/96/1289498396.db2.gz DHRWNMLCSTYZJS-UHFFFAOYSA-N -2 0 356.400 0.474 20 0 FCADRL Cc1cnn(C[C@@H](NS(=O)(=O)c2ccc(C)cc2C(=O)[O-])C(=O)[O-])c1 ZINC001610513365 1289498800 /nfs/dbraw/zinc/49/88/00/1289498800.db2.gz VIKJIQHPBGISJB-GFCCVEGCSA-N -2 0 367.383 0.630 20 0 FCADRL Cc1cnn(C[C@@H](NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)C(=O)[O-])c1 ZINC001610541204 1289504970 /nfs/dbraw/zinc/50/49/70/1289504970.db2.gz AECOFISPTGRFES-CYBMUJFWSA-N -2 0 367.383 0.630 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)c1nnn(C(C)C)c1C ZINC001610581251 1289516504 /nfs/dbraw/zinc/51/65/04/1289516504.db2.gz ISQKUUBROJFJHL-UHFFFAOYSA-N -2 0 356.360 0.886 20 0 FCADRL Cc1sc([C@H]2CCCN2C(=O)c2cnc([O-])n(C)c2=O)nc1C(=O)[O-] ZINC001610590089 1289518790 /nfs/dbraw/zinc/51/87/90/1289518790.db2.gz HCLAMGBNUVFBNB-SECBINFHSA-N -2 0 364.383 0.926 20 0 FCADRL Cc1sc(=O)n(CCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])c1C ZINC001610590195 1289519713 /nfs/dbraw/zinc/51/97/13/1289519713.db2.gz QVGNVDOTLBSLGX-XVKPBYJWSA-N -2 0 364.445 0.472 20 0 FCADRL Cn1ccc([C@H](NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C(=O)[O-])n1 ZINC001610608891 1289526740 /nfs/dbraw/zinc/52/67/40/1289526740.db2.gz VKCREALFYKLXHJ-ZDUSSCGKSA-N -2 0 373.394 0.361 20 0 FCADRL NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1F ZINC001610646849 1289540497 /nfs/dbraw/zinc/54/04/97/1289540497.db2.gz SMPGBRPPVOZZPQ-UHFFFAOYSA-N -2 0 374.371 0.972 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)/C=C\c2cncc(F)c2)CC1 ZINC001610652785 1289542811 /nfs/dbraw/zinc/54/28/11/1289542811.db2.gz YWRZCLVPPPDCIB-UPHRSURJSA-N -2 0 357.363 0.392 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)COCc2ccccc2)CC1 ZINC001610669183 1289548575 /nfs/dbraw/zinc/54/85/75/1289548575.db2.gz LCPOEYJYHYVVBP-UHFFFAOYSA-N -2 0 356.400 0.361 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)NC3CC3)c2)cn1 ZINC001610677520 1289550006 /nfs/dbraw/zinc/55/00/06/1289550006.db2.gz FZBTUMOADJTWDB-UHFFFAOYSA-N -2 0 365.371 0.056 20 0 FCADRL O=C([O-])[C@H](C[NH+]1CCCCC1)NS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001610718010 1289566819 /nfs/dbraw/zinc/56/68/19/1289566819.db2.gz ZGXUMQLYDQUGRZ-LBPRGKRZSA-N -2 0 362.448 0.490 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)CC1 ZINC001610745044 1289576152 /nfs/dbraw/zinc/57/61/52/1289576152.db2.gz QQLWSQWLGNGXTL-CYBMUJFWSA-N -2 0 370.383 0.380 20 0 FCADRL O=C([O-])CCCO[N-]C(=O)C(=O)Nc1ccn(-c2ncccc2F)n1 ZINC001610770598 1289586736 /nfs/dbraw/zinc/58/67/36/1289586736.db2.gz FUROCZQWJXIBRM-UHFFFAOYSA-N -2 0 351.294 0.258 20 0 FCADRL O=C([O-])COc1cccc(C(=O)[N-]S(=O)(=O)c2ncccc2F)c1 ZINC001610787826 1289592988 /nfs/dbraw/zinc/59/29/88/1289592988.db2.gz GILLGOMFGDCYQJ-UHFFFAOYSA-N -2 0 354.315 0.803 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001610789415 1289595044 /nfs/dbraw/zinc/59/50/44/1289595044.db2.gz OJROCBLDDUNZOY-GFCCVEGCSA-N -2 0 354.384 0.069 20 0 FCADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2cnn(C3CCOCC3)c2)n1 ZINC001610800809 1289597056 /nfs/dbraw/zinc/59/70/56/1289597056.db2.gz FWIBMMALKPHEBE-UHFFFAOYSA-N -2 0 355.376 0.317 20 0 FCADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])c1 ZINC001610807818 1289599516 /nfs/dbraw/zinc/59/95/16/1289599516.db2.gz CIAOOAGLMDBYEU-VIFPVBQESA-N -2 0 364.173 0.995 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])c[nH]1 ZINC001610816348 1289600391 /nfs/dbraw/zinc/60/03/91/1289600391.db2.gz QXLGTRUNXOBNLX-LBPRGKRZSA-N -2 0 356.331 0.826 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2cnc3nccnc3c2)c1 ZINC001610849934 1289606863 /nfs/dbraw/zinc/60/68/63/1289606863.db2.gz PIVTZWGKHFPUIX-UHFFFAOYSA-N -2 0 358.335 0.842 20 0 FCADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cn(-c2ccc(Br)cc2)nn1 ZINC001625340101 1290335533 /nfs/dbraw/zinc/33/55/33/1290335533.db2.gz TWQFRNNTNTYSLR-UHFFFAOYSA-N -2 0 366.135 0.416 20 0 FCADRL CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001644299308 1290952574 /nfs/dbraw/zinc/95/25/74/1290952574.db2.gz LYWHXOYYJRCEAZ-LLVKDONJSA-N -2 0 364.431 0.981 20 0 FCADRL CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001644299309 1290952858 /nfs/dbraw/zinc/95/28/58/1290952858.db2.gz LYWHXOYYJRCEAZ-NSHDSACASA-N -2 0 364.431 0.981 20 0 FCADRL O=C([N-][N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cnccn1 ZINC000145663937 836014672 /nfs/dbraw/zinc/01/46/72/836014672.db2.gz SKAINMKZHPOAQC-UHFFFAOYSA-N -2 0 357.735 0.662 20 0 FCADRL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000749866053 836390817 /nfs/dbraw/zinc/39/08/17/836390817.db2.gz DPLBXQRENIQPKC-UHFFFAOYSA-N -2 0 355.328 0.709 20 0 FCADRL CCN=c1nc2[n-]nc(SCC(=O)[N-]OCC(C)C)n2c(NCC)n1 ZINC000750528366 836428165 /nfs/dbraw/zinc/42/81/65/836428165.db2.gz IDPSWLMWXDICQO-UHFFFAOYSA-N -2 0 368.467 0.601 20 0 FCADRL CCOC(=O)c1cnn2ccc(C(=O)NCCOP(=O)([O-])[O-])cc12 ZINC001157146156 849951192 /nfs/dbraw/zinc/95/11/92/849951192.db2.gz GQWBWNLGNJTEKU-UHFFFAOYSA-N -2 0 357.259 0.350 20 0 FCADRL O=P([O-])([O-])OCCNc1nc2scnc2c(N2CCOCC2)n1 ZINC001157786829 849994909 /nfs/dbraw/zinc/99/49/09/849994909.db2.gz BLEIBGASRVMZBU-UHFFFAOYSA-N -2 0 361.320 0.444 20 0 FCADRL O=C1NCCc2[nH]c(-c3ccnc(NCCOP(=O)([O-])[O-])c3)cc21 ZINC001157787566 849995427 /nfs/dbraw/zinc/99/54/27/849995427.db2.gz MSPYGIGFTLOAQC-UHFFFAOYSA-N -2 0 352.287 0.884 20 0 FCADRL CCOC(=O)c1cnc2ccc(OC)nc2c1NCCOP(=O)([O-])[O-] ZINC001168596290 850590676 /nfs/dbraw/zinc/59/06/76/850590676.db2.gz SQUNRQLVUBYPPB-UHFFFAOYSA-N -2 0 371.286 0.758 20 0 FCADRL O=P([O-])([O-])c1ccc(NCc2ccc(N3CCOCC3)nn2)cc1 ZINC001169744506 850634289 /nfs/dbraw/zinc/63/42/89/850634289.db2.gz UDKAEGXSAWUOEM-UHFFFAOYSA-N -2 0 350.315 0.728 20 0 FCADRL CC(C)(C)OC(=O)N1C[C@H](F)C[C@H](C(=O)NCCOP(=O)([O-])[O-])C1 ZINC001178892671 850937333 /nfs/dbraw/zinc/93/73/33/850937333.db2.gz LSKZMBWCVPNZTP-VHSXEESVSA-N -2 0 370.314 0.807 20 0 FCADRL CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2C(=O)NCCOP(=O)([O-])[O-] ZINC001179305288 850968371 /nfs/dbraw/zinc/96/83/71/850968371.db2.gz OTALIFPWUIQKSW-ILWJIGKKSA-N -2 0 350.308 0.325 20 0 FCADRL N=C([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])SCCS(=O)(=O)[O-] ZINC001180176292 851017698 /nfs/dbraw/zinc/01/76/98/851017698.db2.gz USEVOSLVQCGQLZ-UHFFFAOYSA-N -3 0 356.275 0.014 20 0 FCADRL Cc1ccc(S(=O)(=O)NCC[N-]C(=O)C(F)(F)F)cc1C(=O)[O-] ZINC001184710650 851318696 /nfs/dbraw/zinc/31/86/96/851318696.db2.gz FVUXRVKTMMVCCZ-UHFFFAOYSA-N -2 0 354.306 0.650 20 0 FCADRL CCOC(=O)c1sc(S(=O)(=O)[N-]c2c([O-])nc[nH]c2=O)nc1C ZINC001184930949 851327859 /nfs/dbraw/zinc/32/78/59/851327859.db2.gz KKPZMRDGVKVRCB-UHFFFAOYSA-N -2 0 360.373 0.630 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2nccnc2C(N)=O)cc1C(=O)[O-] ZINC001185270103 851348344 /nfs/dbraw/zinc/34/83/44/851348344.db2.gz YKEXPWKXTXDTSW-UHFFFAOYSA-N -2 0 352.328 0.083 20 0 FCADRL Cn1c([O-])nc(NS(=O)(=O)c2c(Cl)nc3sccn32)cc1=O ZINC001187159880 851521106 /nfs/dbraw/zinc/52/11/06/851521106.db2.gz ITWXUJCWZCWBBE-UHFFFAOYSA-N -2 0 361.792 0.649 20 0 FCADRL COC(=O)Cn1cc(NC(=O)c2ccccc2OP(=O)([O-])[O-])cn1 ZINC001189871309 851832545 /nfs/dbraw/zinc/83/25/45/851832545.db2.gz LUDNWHXXQIKBNH-UHFFFAOYSA-N -2 0 355.243 0.780 20 0 FCADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CCC2(CC1)CNC(=O)CO2 ZINC001189886936 851836751 /nfs/dbraw/zinc/83/67/51/851836751.db2.gz KJILXDUMPARNEN-UHFFFAOYSA-N -2 0 370.298 0.279 20 0 FCADRL COC(=O)C[C@@H]1CN(C(=O)c2ccccc2OP(=O)([O-])[O-])CCO1 ZINC001189886928 851836906 /nfs/dbraw/zinc/83/69/06/851836906.db2.gz KEVZYYOJQQZHOJ-SNVBAGLBSA-N -2 0 359.271 0.562 20 0 FCADRL CCOC(=O)[C@@H]1CN(C(=O)c2ccccc2OP(=O)([O-])[O-])CCO1 ZINC001189886234 851837040 /nfs/dbraw/zinc/83/70/40/851837040.db2.gz BWCUWHHXXRABIN-LBPRGKRZSA-N -2 0 359.271 0.562 20 0 FCADRL COC(=O)[C@@H]1CN(C)CCN1C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189887741 851837218 /nfs/dbraw/zinc/83/72/18/851837218.db2.gz QJSMMERQMUYICR-NSHDSACASA-N -2 0 358.287 0.087 20 0 FCADRL O=C(N[C@H]1COCCC12OCCO2)c1ccccc1OP(=O)([O-])[O-] ZINC001189899967 851839319 /nfs/dbraw/zinc/83/93/19/851839319.db2.gz LEXAOSPKCFTJDQ-LBPRGKRZSA-N -2 0 359.271 0.420 20 0 FCADRL Cc1ncc(CO)c(CNC(=O)c2ccccc2OP(=O)([O-])[O-])c1O ZINC001189900201 851839330 /nfs/dbraw/zinc/83/93/30/851839330.db2.gz UYVFKVUDQSPWPZ-UHFFFAOYSA-N -2 0 368.282 0.989 20 0 FCADRL CN(C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1)c1nccnc1N ZINC001189915829 851841842 /nfs/dbraw/zinc/84/18/42/851841842.db2.gz XSOMNRXMYZILJM-UHFFFAOYSA-N -2 0 352.328 0.280 20 0 FCADRL O=C([O-])c1cc(C(=O)N2CCCC(=O)[C@@H](F)C2)cc(S(=O)(=O)[O-])c1 ZINC001189923928 851844762 /nfs/dbraw/zinc/84/47/62/851844762.db2.gz QLPXIBXRKAUQMV-NSHDSACASA-N -2 0 359.331 0.775 20 0 FCADRL NC(=O)c1cc2c([nH]1)CN(C(=O)c1ccccc1OP(=O)([O-])[O-])CC2 ZINC001278365874 862306435 /nfs/dbraw/zinc/30/64/35/862306435.db2.gz BWZXXPOYSOQVBP-UHFFFAOYSA-N -2 0 365.282 0.784 20 0 FCADRL Cc1c(C(=O)NCCOP(=O)([O-])[O-])c(=O)n(-c2ccccc2)n1C ZINC001191680282 852121986 /nfs/dbraw/zinc/12/19/86/852121986.db2.gz NLPPWJZTJJYDDX-UHFFFAOYSA-N -2 0 355.287 0.324 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1ncccc1I ZINC001191693518 852124174 /nfs/dbraw/zinc/12/41/74/852124174.db2.gz XIVIKYWJOZKBMU-UHFFFAOYSA-N -2 0 372.055 0.525 20 0 FCADRL COc1nc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc(=O)[n-]1 ZINC001192683563 852275645 /nfs/dbraw/zinc/27/56/45/852275645.db2.gz RRRVLRZPGHOFRN-UHFFFAOYSA-N -2 0 355.328 0.455 20 0 FCADRL COc1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)c(S(=O)(=O)[O-])c1 ZINC001193264446 852400543 /nfs/dbraw/zinc/40/05/43/852400543.db2.gz RVKZKJFIJFSBEW-SNVBAGLBSA-N -2 0 351.402 0.863 20 0 FCADRL Cn1ncc(C(N)=O)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195190198 852721383 /nfs/dbraw/zinc/72/13/83/852721383.db2.gz XKKFAIJPLJCAIX-UHFFFAOYSA-N -2 0 360.298 0.296 20 0 FCADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)NCS(=O)(=O)[O-])c1 ZINC001196051480 852879746 /nfs/dbraw/zinc/87/97/46/852879746.db2.gz DHJXPDIZNLZLFH-UHFFFAOYSA-N -2 0 374.190 0.271 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1ccn(Cc2ccccc2)c(=O)c1 ZINC001196577586 852979705 /nfs/dbraw/zinc/97/97/05/852979705.db2.gz ZUNUMEVSJFZHRI-UHFFFAOYSA-N -2 0 352.283 0.736 20 0 FCADRL NC(=O)S(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)Cc2cccnc2)c1 ZINC001197464908 853119511 /nfs/dbraw/zinc/11/95/11/853119511.db2.gz IFAOXCMXZZMXLO-UHFFFAOYSA-N -2 0 371.396 0.996 20 0 FCADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnc(OC2COC2)nc1 ZINC001198741057 853311389 /nfs/dbraw/zinc/31/13/89/853311389.db2.gz NJJNVLVQFCSWJZ-UHFFFAOYSA-N -2 0 351.340 0.753 20 0 FCADRL CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccccc1C(=O)[O-])c1cnccn1 ZINC001198809019 853323477 /nfs/dbraw/zinc/32/34/77/853323477.db2.gz ZUQJKMHYLGOOSW-CYBMUJFWSA-N -2 0 365.367 0.758 20 0 FCADRL CCS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)CCCC(=O)OC)c1 ZINC001201903723 853555250 /nfs/dbraw/zinc/55/52/50/853555250.db2.gz WBKVVJUCNSVBMU-UHFFFAOYSA-N -2 0 365.429 0.881 20 0 FCADRL CC(=O)c1cc(Nc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])ccn1 ZINC001210596911 854119391 /nfs/dbraw/zinc/11/93/91/854119391.db2.gz CKIIDDUHYIDNCZ-UHFFFAOYSA-N -2 0 372.380 0.943 20 0 FCADRL CCOC(=O)c1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001222163875 856807698 /nfs/dbraw/zinc/80/76/98/856807698.db2.gz WUEUUAOUJIPLRN-AAEUAGOBSA-N -2 0 354.311 0.443 20 0 FCADRL CCOC(=O)[C@@H](OC(=O)[C@H](O)COP(=O)([O-])[O-])c1ccc(F)cc1 ZINC001223095978 856896517 /nfs/dbraw/zinc/89/65/17/856896517.db2.gz IJLJUPXPQLTZSJ-MNOVXSKESA-N -2 0 366.234 0.443 20 0 FCADRL COc1cc(OC)c(COC(=O)[C@H](O)COP(=O)([O-])[O-])c(OC)c1 ZINC001223897661 856949159 /nfs/dbraw/zinc/94/91/59/856949159.db2.gz QZUKPKCQKMGONW-SNVBAGLBSA-N -2 0 366.259 0.226 20 0 FCADRL CCOc1ccccc1OCCOC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001224494480 856985034 /nfs/dbraw/zinc/98/50/34/856985034.db2.gz PTKWCHIUTXDVAJ-YGRLFVJLSA-N -2 0 356.327 0.544 20 0 FCADRL COc1cc2c(cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])CCC2=O ZINC001225371532 857037579 /nfs/dbraw/zinc/03/75/79/857037579.db2.gz PXKQERZFKSRDJT-YMTOWFKASA-N -2 0 352.295 0.266 20 0 FCADRL CCc1cc(C(=O)OC)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225419389 857040558 /nfs/dbraw/zinc/04/05/58/857040558.db2.gz WKBWYXVGHSSFBJ-GWCFXTLKSA-N -2 0 354.311 0.477 20 0 FCADRL Nc1nc(-c2cccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2)cs1 ZINC001226109403 857085448 /nfs/dbraw/zinc/08/54/48/857085448.db2.gz FUJASHIKLZAGKK-CABZTGNLSA-N -2 0 366.351 0.834 20 0 FCADRL Cc1ccc2oc(=O)cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2c1 ZINC001226161788 857086270 /nfs/dbraw/zinc/08/62/70/857086270.db2.gz MVTKDMQGWVWJDK-OTYXRUKQSA-N -2 0 350.279 0.543 20 0 FCADRL O=C(Oc1nc(Cl)nc2ccc(F)cc21)[C@H](O)COP(=O)([O-])[O-] ZINC001226375992 857099662 /nfs/dbraw/zinc/09/96/62/857099662.db2.gz NBJRKPZGVPXMSN-MRVPVSSYSA-N -2 0 366.625 0.798 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ncc(Br)cc1F)[C@@H](O)C(=O)[O-] ZINC001227402086 857158425 /nfs/dbraw/zinc/15/84/25/857158425.db2.gz OUKPLPUSBYJJRP-SVGQVSJJSA-N -2 0 366.095 0.425 20 0 FCADRL Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(Br)n1 ZINC001228064191 857190482 /nfs/dbraw/zinc/19/04/82/857190482.db2.gz BNJHXZWWUVFGEI-MUWHJKNJSA-N -2 0 362.132 0.594 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(O)cc1Br)[C@H](O)C(=O)[O-] ZINC001228207377 857197246 /nfs/dbraw/zinc/19/72/46/857197246.db2.gz XTBGORVCGTZJGO-LDWIPMOCSA-N -2 0 363.116 0.597 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(O)cc1Br)[C@@H](O)C(=O)[O-] ZINC001228207385 857197529 /nfs/dbraw/zinc/19/75/29/857197529.db2.gz XTBGORVCGTZJGO-QUBYGPBYSA-N -2 0 363.116 0.597 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1nnc(Cl)c2ccccc21)[C@H](O)C(=O)[O-] ZINC001228280885 857200623 /nfs/dbraw/zinc/20/06/23/857200623.db2.gz UXQQHJAXIIWHRS-WPRPVWTQSA-N -2 0 354.702 0.725 20 0 FCADRL COc1ccc2ncnc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2c1 ZINC001228869852 857233224 /nfs/dbraw/zinc/23/32/24/857233224.db2.gz RPRPHUROUAGVBS-CABZTGNLSA-N -2 0 350.283 0.080 20 0 FCADRL O=S(=O)([O-])c1cc(O)c(O[C@@H]2CCOC[C@@H]2F)c(S(=O)(=O)[O-])c1 ZINC001230144244 857307591 /nfs/dbraw/zinc/30/75/91/857307591.db2.gz MGAGFVILYFUMSZ-IONNQARKSA-N -2 0 372.348 0.391 20 0 FCADRL C[C@H]1COCC[C@H]1Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-] ZINC001230143288 857307727 /nfs/dbraw/zinc/30/77/27/857307727.db2.gz COJXHIBILQFDLO-OIBJUYFYSA-N -2 0 368.385 0.689 20 0 FCADRL CC(=O)CCc1ccc(O)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001230397836 857333517 /nfs/dbraw/zinc/33/35/17/857333517.db2.gz HTQABYIDWOYLTN-HZMBPMFUSA-N -2 0 354.311 0.356 20 0 FCADRL COc1cc2c(c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1)C(=O)CC2 ZINC001230545563 857343695 /nfs/dbraw/zinc/34/36/95/857343695.db2.gz JNVDFGYXQCOLTL-OTYXRUKQSA-N -2 0 352.295 0.266 20 0 FCADRL COc1cc2c(c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1)C(=O)CC2 ZINC001230545565 857343829 /nfs/dbraw/zinc/34/38/29/857343829.db2.gz JNVDFGYXQCOLTL-YMTOWFKASA-N -2 0 352.295 0.266 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ncnc2c(Cl)cccc12)[C@@H](O)C(=O)[O-] ZINC001230778485 857347113 /nfs/dbraw/zinc/34/71/13/857347113.db2.gz GRBPKNCAILAQOU-RDDDGLTNSA-N -2 0 354.702 0.725 20 0 FCADRL Cc1cc(=O)c2ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc2o1 ZINC001231172163 857356566 /nfs/dbraw/zinc/35/65/66/857356566.db2.gz RJMXXLWVNPXVME-HZMBPMFUSA-N -2 0 350.279 0.543 20 0 FCADRL Cc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc(C(F)(F)F)c1 ZINC001233559793 857387391 /nfs/dbraw/zinc/38/73/91/857387391.db2.gz RCKRLCFXHVNQEG-WKEGUHRASA-N -2 0 351.233 0.851 20 0 FCADRL CSc1ncc2c(ccnc2OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001233956360 857392961 /nfs/dbraw/zinc/39/29/61/857392961.db2.gz GOVUKGURHADBPM-QUBYGPBYSA-N -2 0 367.339 0.189 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ncnc2ccc(F)c(F)c21)[C@H](O)C(=O)[O-] ZINC001234027302 857395097 /nfs/dbraw/zinc/39/50/97/857395097.db2.gz SKDKJXMNTZAGKO-GCXOYZPQSA-N -2 0 356.237 0.350 20 0 FCADRL COc1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc2oc(=O)ccc12 ZINC001234768952 857411918 /nfs/dbraw/zinc/41/19/18/857411918.db2.gz GFMHUPGGTPIGQD-SECBINFHSA-N -2 0 360.211 0.177 20 0 FCADRL NC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC001250925521 857669825 /nfs/dbraw/zinc/66/98/25/857669825.db2.gz BMMPRWGCERFLSJ-UHFFFAOYSA-N -2 0 361.426 0.906 20 0 FCADRL COC(=O)C([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)=C(C)[O-] ZINC001251242745 857710076 /nfs/dbraw/zinc/71/00/76/857710076.db2.gz MQYDFEJWSQMHRR-VIFPVBQESA-N -2 0 361.244 0.791 20 0 FCADRL NC(=O)c1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cn1 ZINC001259213704 858248710 /nfs/dbraw/zinc/24/87/10/858248710.db2.gz IGSGFHYFWAHKOV-UHFFFAOYSA-N -2 0 374.737 0.867 20 0 FCADRL COC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccn2)cc1 ZINC001259289507 858255005 /nfs/dbraw/zinc/25/50/05/858255005.db2.gz ZKEJNXPLTQWMJS-UHFFFAOYSA-N -2 0 371.396 0.927 20 0 FCADRL O=C([O-])c1ccc(F)c(S(=O)(=O)NCC[N-]C(=O)C(F)(F)F)c1 ZINC001260217357 858355966 /nfs/dbraw/zinc/35/59/66/858355966.db2.gz JATXFIYRFHAAPY-UHFFFAOYSA-N -2 0 358.269 0.481 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)NCCCC[P@@](=O)([O-])O)ccc1O ZINC001260404330 858370474 /nfs/dbraw/zinc/37/04/74/858370474.db2.gz WEDMTHYPCASDQG-UHFFFAOYSA-N -2 0 353.289 0.327 20 0 FCADRL O=C(c1ncc(Br)cc1[O-])N1CCOC[C@@H]1c1nnn[n-]1 ZINC001302137315 866310420 /nfs/dbraw/zinc/31/04/20/866310420.db2.gz LXHXQVZGDHLLMK-SSDOTTSWSA-N -2 0 355.152 0.277 20 0 FCADRL O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)C[C@@H]1COC(=O)C1 ZINC001350353441 866574187 /nfs/dbraw/zinc/57/41/87/866574187.db2.gz HHGANIXWQXFTSO-LAEOZQHASA-N -2 0 366.292 0.062 20 0 FCADRL COCCn1cc([N-]S(=O)(=O)c2ccc(OC)cc2CC(=O)[O-])cn1 ZINC000326830149 971332410 /nfs/dbraw/zinc/33/24/10/971332410.db2.gz ZWXCHYWGGFSZAE-UHFFFAOYSA-N -2 0 369.399 0.966 20 0 FCADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)c1 ZINC001595241302 949461132 /nfs/dbraw/zinc/46/11/32/949461132.db2.gz OIXWSOQJHMMDOD-UHFFFAOYSA-N -2 0 359.310 0.965 20 0 FCADRL O=Cc1cncc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC001595298024 950154647 /nfs/dbraw/zinc/15/46/47/950154647.db2.gz BNDQUWMWTXEMLH-MNOVXSKESA-N -2 0 373.287 0.630 20 0 FCADRL C[C@H]1CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CC2(CCC2)O1 ZINC001570975301 950436993 /nfs/dbraw/zinc/43/69/93/950436993.db2.gz CMPHSIJEQYKPHF-JTQLQIEISA-N -2 0 356.390 0.758 20 0 FCADRL O=C(c1ncccc1O)N1CC[C@H](CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001571031203 951525713 /nfs/dbraw/zinc/52/57/13/951525713.db2.gz FVKJKEAYKRRTBV-SNVBAGLBSA-N -2 0 367.373 0.332 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)[O-])on1 ZINC001593874480 955651965 /nfs/dbraw/zinc/65/19/65/955651965.db2.gz BBPKQDJMBZWSKR-JTQLQIEISA-N -2 0 354.340 0.435 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC[C@@H](C)[C@@H](C(=O)[O-])C3)cc2=O)n1 ZINC001594305333 957963326 /nfs/dbraw/zinc/96/33/26/957963326.db2.gz ANALHMUQSBIUPC-SKDRFNHKSA-N -2 0 359.386 0.755 20 0 FCADRL CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)[N-]OCCC2CC2)C1 ZINC001573450095 958870293 /nfs/dbraw/zinc/87/02/93/958870293.db2.gz BNHQETXOJATISM-MRXNPFEDSA-N -2 0 358.391 0.925 20 0 FCADRL Cc1nnc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])s1 ZINC001594491271 959712800 /nfs/dbraw/zinc/71/28/00/959712800.db2.gz OTHBUGVQNFYBNK-IONNQARKSA-N -2 0 352.338 0.943 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC001604083755 972484837 /nfs/dbraw/zinc/48/48/37/972484837.db2.gz RGBMUHQGFWTAAP-LBPRGKRZSA-N -2 0 356.400 0.722 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NC1(C(=O)[O-])CCOCC1 ZINC001574291116 960683865 /nfs/dbraw/zinc/68/38/65/960683865.db2.gz IFOSGOVFQCTGJA-UHFFFAOYSA-N -2 0 373.369 0.240 20 0 FCADRL NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000314436983 963753397 /nfs/dbraw/zinc/75/33/97/963753397.db2.gz HIXSKVSOTGCRJI-UHFFFAOYSA-N -2 0 362.410 0.895 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCC[C@H](CC(=O)[O-])C3)cc2=O)n1 ZINC001605158419 972851294 /nfs/dbraw/zinc/85/12/94/972851294.db2.gz MONBGEQWOHXAIM-GFCCVEGCSA-N -2 0 359.386 0.899 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc(O)cn1 ZINC001605971314 972982744 /nfs/dbraw/zinc/98/27/44/972982744.db2.gz WZMUHUQBKHTPRY-WCBMZHEXSA-N -2 0 361.276 0.524 20 0 FCADRL Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)c3ccc4oc(=O)nc-4[n-]3)C2)cn1 ZINC001605489819 973637586 /nfs/dbraw/zinc/63/75/86/973637586.db2.gz HPGSVYPOGCWJJQ-NXEZZACHSA-N -2 0 371.353 0.992 20 0 FCADRL COc1cc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])on1 ZINC001604684772 973875855 /nfs/dbraw/zinc/87/58/55/973875855.db2.gz BANCCSXXMBGMOZ-RCOVLWMOSA-N -2 0 365.264 0.420 20 0 FCADRL O=C([O-])c1ccc2c(c1)CCCN2C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001606502381 973994223 /nfs/dbraw/zinc/99/42/23/973994223.db2.gz YIDJGAZVJGWRKI-UHFFFAOYSA-N -2 0 353.338 0.749 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001591858833 976151199 /nfs/dbraw/zinc/15/11/99/976151199.db2.gz GPCCCRJUNDZHMY-JTQLQIEISA-N -2 0 362.308 0.737 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001591861904 976158363 /nfs/dbraw/zinc/15/83/63/976158363.db2.gz FSVDXGPDLZBCLP-UTLUCORTSA-N -2 0 354.325 0.543 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001591861902 976158689 /nfs/dbraw/zinc/15/86/89/976158689.db2.gz FSVDXGPDLZBCLP-GUBZILKMSA-N -2 0 354.325 0.543 20 0 FCADRL CC(C)c1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)nc1 ZINC001591943212 976476755 /nfs/dbraw/zinc/47/67/55/976476755.db2.gz OMULEQZXENXFLQ-UHFFFAOYSA-N -2 0 355.416 0.976 20 0 FCADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC001592359393 977840426 /nfs/dbraw/zinc/84/04/26/977840426.db2.gz FALCDLWILPXJQF-VIFPVBQESA-N -2 0 354.384 0.877 20 0 FCADRL C[C@@H](C[C@@H]1CCCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC001592463887 978192317 /nfs/dbraw/zinc/19/23/17/978192317.db2.gz JBQOPAUODFCFFV-AAEUAGOBSA-N -2 0 362.448 0.993 20 0 FCADRL C[C@H](CNC(=O)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C(=O)[O-] ZINC001592629381 978608749 /nfs/dbraw/zinc/60/87/49/978608749.db2.gz HYWNOIRFPUOAGK-ZYHUDNBSSA-N -2 0 350.371 0.792 20 0 FCADRL C[C@](CO)(CNS(=O)(=O)c1ccc(CC(=O)[O-])s1)CC(=O)[O-] ZINC001592728569 979238084 /nfs/dbraw/zinc/23/80/84/979238084.db2.gz IDVJRAOAWIFYIB-GFCCVEGCSA-N -2 0 351.402 0.127 20 0 FCADRL C[C@H](CS(=O)(=O)N1[C@@H](c2ccccn2)SC[C@@H]1C(=O)[O-])C(=O)[O-] ZINC001592789551 979433845 /nfs/dbraw/zinc/43/38/45/979433845.db2.gz KDJFRYRAOFWIPU-FBIMIBRVSA-N -2 0 360.413 0.633 20 0 FCADRL C[C@H](NC(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001592979450 980146344 /nfs/dbraw/zinc/14/63/44/980146344.db2.gz JBQMYDHXDAGWKW-ZDDJMSTPSA-N -2 0 352.387 0.528 20 0 FCADRL CC[C@H]1C[C@H](CC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1 ZINC001595413347 981013558 /nfs/dbraw/zinc/01/35/58/981013558.db2.gz KDCPNQUDZYJARY-YPMHNXCESA-N -2 0 362.448 0.739 20 0 FCADRL CC[C@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1 ZINC001595413344 981013643 /nfs/dbraw/zinc/01/36/43/981013643.db2.gz KDCPNQUDZYJARY-AAEUAGOBSA-N -2 0 362.448 0.739 20 0 FCADRL CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001595546497 981411797 /nfs/dbraw/zinc/41/17/97/981411797.db2.gz DYRHCGMZJAKREI-OTYXRUKQSA-N -2 0 366.436 0.989 20 0 FCADRL CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001594770513 981740364 /nfs/dbraw/zinc/74/03/64/981740364.db2.gz SDVBIXKHQRQRHY-NSHDSACASA-N -2 0 359.356 0.655 20 0 FCADRL CC[C@](C)(CNS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)OC)c1)C(=O)[O-] ZINC001594835910 982034496 /nfs/dbraw/zinc/03/44/96/982034496.db2.gz YCIDKDZBROJJFC-OAHLLOKOSA-N -2 0 373.383 0.951 20 0 FCADRL CCCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595859651 982791792 /nfs/dbraw/zinc/79/17/92/982791792.db2.gz PLKQUCOEGPZECA-UHFFFAOYSA-N -2 0 359.356 0.657 20 0 FCADRL CCCc1nc(C)c(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)o1 ZINC001596082240 983399401 /nfs/dbraw/zinc/39/94/01/983399401.db2.gz OFOSOVPJDZKJOM-UHFFFAOYSA-N -2 0 359.404 0.707 20 0 FCADRL CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1CCO[C@H]1C(=O)[O-] ZINC001596586864 984517753 /nfs/dbraw/zinc/51/77/53/984517753.db2.gz LCUGNUUBKAZGDZ-ACLDMZEESA-N -2 0 363.310 0.032 20 0 FCADRL CCOC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)C(C)C ZINC001596657475 984700278 /nfs/dbraw/zinc/70/02/78/984700278.db2.gz IDOZKJNVAFTQAL-LBPRGKRZSA-N -2 0 372.399 0.960 20 0 FCADRL C[C@H](NC(=O)[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)[O-] ZINC001599899039 984790683 /nfs/dbraw/zinc/79/06/83/984790683.db2.gz PXRKMAQKUBLLCS-IUCAKERBSA-N -2 0 364.333 0.425 20 0 FCADRL CC(=O)C[C@H](NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)C(=O)[O-] ZINC001589030456 985061038 /nfs/dbraw/zinc/06/10/38/985061038.db2.gz UPDAQXVSWWOLTB-VIFPVBQESA-N -2 0 351.283 0.374 20 0 FCADRL CC(=O)C[C@@H](NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1)C(=O)[O-] ZINC001589030528 985062701 /nfs/dbraw/zinc/06/27/01/985062701.db2.gz VHJPYJMLRCNYLU-GFCCVEGCSA-N -2 0 355.368 0.513 20 0 FCADRL CC(=O)N1CCc2cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])ccc21 ZINC001589091483 985279556 /nfs/dbraw/zinc/27/95/56/985279556.db2.gz VIJOSAYCNKWCDA-VHSXEESVSA-N -2 0 368.411 0.764 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001599941025 985454771 /nfs/dbraw/zinc/45/47/71/985454771.db2.gz DKUUQTVBSUECNF-LLVKDONJSA-N -2 0 355.354 0.780 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001599941378 985459011 /nfs/dbraw/zinc/45/90/11/985459011.db2.gz PGPOFCIUQKBOMA-LLVKDONJSA-N -2 0 357.370 0.956 20 0 FCADRL CC(=O)c1[nH]c(CC(=O)NCCc2n[n-]c(=S)o2)c(C(=O)[O-])c1C ZINC001589243684 985841346 /nfs/dbraw/zinc/84/13/46/985841346.db2.gz ZOHGYNLLRWTJMS-UHFFFAOYSA-N -2 0 352.372 0.797 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC001594563683 986345279 /nfs/dbraw/zinc/34/52/79/986345279.db2.gz XQBAHLCPUUSUQN-AXFHLTTASA-N -2 0 371.415 0.228 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC001589450226 986838573 /nfs/dbraw/zinc/83/85/73/986838573.db2.gz BUSMZQNQIUOBJH-YSARLGLZSA-N -2 0 374.459 0.627 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CN1C(=O)CCc2ccccc21 ZINC001589451480 986844694 /nfs/dbraw/zinc/84/46/94/986844694.db2.gz IJTLFLFYNSTBQZ-MNOVXSKESA-N -2 0 368.411 0.521 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccn(-c2ccccc2)n1 ZINC001589452672 986850378 /nfs/dbraw/zinc/85/03/78/986850378.db2.gz MFZWMXIOLNYSQJ-NWDGAFQWSA-N -2 0 365.411 0.970 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)CC1CCCCC1 ZINC001589455068 986890551 /nfs/dbraw/zinc/89/05/51/986890551.db2.gz ZFPQWFSSSVHOPV-WDEREUQCSA-N -2 0 362.448 0.628 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(Nc2ccn(C)n2)cc1 ZINC001589491511 987058712 /nfs/dbraw/zinc/05/87/12/987058712.db2.gz KRJYDZFISAMGEN-SECBINFHSA-N -2 0 352.372 0.696 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc(-c2cnn(C)c2)ccc1F ZINC001589491294 987058757 /nfs/dbraw/zinc/05/87/57/987058757.db2.gz KCHYLUZUJFWWJB-MRVPVSSYSA-N -2 0 355.347 0.759 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccccc1N(C)C(=O)C1CC1 ZINC001589491853 987060948 /nfs/dbraw/zinc/06/09/48/987060948.db2.gz ORRAWHQMZUKQIP-SECBINFHSA-N -2 0 354.384 0.592 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)/C=C\c1ccc(Br)o1 ZINC001589492983 987067311 /nfs/dbraw/zinc/06/73/11/987067311.db2.gz AWVPOAHJJNVFHI-CWVDAHFDSA-N -2 0 352.162 0.974 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCOCC(F)(F)C(F)(F)F ZINC001589493648 987068862 /nfs/dbraw/zinc/06/88/62/987068862.db2.gz FGCFSMQRUFUNFD-YFKPBYRVSA-N -2 0 357.253 0.510 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1(C)CN(C(=O)OC(C)(C)C)C1 ZINC001589495693 987075018 /nfs/dbraw/zinc/07/50/18/987075018.db2.gz QNKRYOZWMRYKND-QMMMGPOBSA-N -2 0 350.393 0.163 20 0 FCADRL CC(C)(C(=O)[O-])[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])c1ccccc1 ZINC001589588554 987384194 /nfs/dbraw/zinc/38/41/94/987384194.db2.gz ADZRVKNBSRTFOF-ZDUSSCGKSA-N -2 0 350.371 0.936 20 0 FCADRL CC[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001597336494 987475408 /nfs/dbraw/zinc/47/54/08/987475408.db2.gz QJZYTVSIBZJQQH-VIFPVBQESA-N -2 0 366.436 0.847 20 0 FCADRL CCc1c(C(=O)[N-]S(=O)(=O)CC(=O)[O-])nnn1Cc1ccc(F)cc1 ZINC001597410690 987694544 /nfs/dbraw/zinc/69/45/44/987694544.db2.gz DIXKPGCTWGLFCL-UHFFFAOYSA-N -2 0 370.362 0.172 20 0 FCADRL CSCCN(CC(=O)[O-])S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC001599799792 988156461 /nfs/dbraw/zinc/15/64/61/988156461.db2.gz JOVRWFQQNAYYSZ-UHFFFAOYSA-N -2 0 353.443 0.814 20 0 FCADRL CCc1nc(C(=O)[N-]S(=O)(=O)c2ccc(OC)cc2CC(=O)[O-])co1 ZINC001597651082 988685709 /nfs/dbraw/zinc/68/57/09/988685709.db2.gz SZDOMHOIZLOMTN-UHFFFAOYSA-N -2 0 368.367 0.991 20 0 FCADRL C[C@@H](NC(=O)CCc1ccccc1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC001599839127 988795302 /nfs/dbraw/zinc/79/53/02/988795302.db2.gz RPHUHIFOTRLJGU-GFCCVEGCSA-N -2 0 370.427 0.435 20 0 FCADRL CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)[N-]S(=O)(=O)CC(=O)[O-])C1 ZINC001590012580 988969008 /nfs/dbraw/zinc/96/90/08/988969008.db2.gz MRLNXPSGHHTOQJ-AWEZNQCLSA-N -2 0 364.420 0.554 20 0 FCADRL CC(C)(C)OC(=O)N[C@H](CC(=O)[N-]S(=O)(=O)CCC(=O)[O-])C1CC1 ZINC001590116876 989317514 /nfs/dbraw/zinc/31/75/14/989317514.db2.gz NAMYPAZAWAGHMG-SNVBAGLBSA-N -2 0 364.420 0.601 20 0 FCADRL CCn1c(=O)[nH]c2cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])ccc21 ZINC001597832607 989504325 /nfs/dbraw/zinc/50/43/25/989504325.db2.gz RNZLKTRYZMVNCG-BDAKNGLRSA-N -2 0 369.399 0.931 20 0 FCADRL CCn1nccc1S(=O)(=O)[N-]c1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC001597967758 990008363 /nfs/dbraw/zinc/00/83/63/990008363.db2.gz CSGURONTZVOKEE-UHFFFAOYSA-N -2 0 366.399 0.447 20 0 FCADRL CCn1[n-]nnc1=NC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001597983305 990058965 /nfs/dbraw/zinc/05/89/65/990058965.db2.gz ZWHFYKRFIGBGOI-UHFFFAOYSA-N -2 0 355.358 0.885 20 0 FCADRL CC(C)(C)n1cnc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])n1 ZINC001590602769 990262494 /nfs/dbraw/zinc/26/24/94/990262494.db2.gz DXGBFMSGBJSQRC-UHFFFAOYSA-N -2 0 358.401 0.912 20 0 FCADRL CC(C)(C)n1nnc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC001590609560 990275491 /nfs/dbraw/zinc/27/54/91/990275491.db2.gz JLUQSPPSOCFIKE-UHFFFAOYSA-N -2 0 353.360 0.245 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)[O-] ZINC001590798248 990619954 /nfs/dbraw/zinc/61/99/54/990619954.db2.gz OPJAQBMMJGZANI-GQCTYLIASA-N -2 0 355.368 0.985 20 0 FCADRL CC(C)(CS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)Cc1ccccc1)C(=O)[O-] ZINC001590798854 990625348 /nfs/dbraw/zinc/62/53/48/990625348.db2.gz GEUVLSZJBHZHOY-NWDGAFQWSA-N -2 0 359.400 0.073 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC001590799414 990628646 /nfs/dbraw/zinc/62/86/46/990628646.db2.gz UOUYKKREQURUJT-UHFFFAOYSA-N -2 0 363.413 0.261 20 0 FCADRL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)c1 ZINC001598163003 990665584 /nfs/dbraw/zinc/66/55/84/990665584.db2.gz OLJMKZWJQWRWHC-UHFFFAOYSA-N -2 0 350.356 0.677 20 0 FCADRL CC(C)(NS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-])[C@H](O)C(=O)[O-] ZINC001590879035 990789470 /nfs/dbraw/zinc/78/94/70/990789470.db2.gz GEMMQNTVHGUXRY-SECBINFHSA-N -2 0 357.306 0.913 20 0 FCADRL COc1ccccc1[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)C(=O)[O-] ZINC001599699796 991200826 /nfs/dbraw/zinc/20/08/26/991200826.db2.gz HRSVERPFBCKKPF-LBPRGKRZSA-N -2 0 357.384 0.995 20 0 FCADRL COc1ccccc1CO[N-]C(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001599713232 991408117 /nfs/dbraw/zinc/40/81/17/991408117.db2.gz UYHWBZCROCEPCR-UHFFFAOYSA-N -2 0 362.342 0.471 20 0 FCADRL COc1ncnc(N(C)C)c1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001599738915 991818075 /nfs/dbraw/zinc/81/80/75/991818075.db2.gz OZWXLIJHALLVKF-UHFFFAOYSA-N -2 0 359.389 0.507 20 0 FCADRL CN(CCC(=O)[O-])C(=O)C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001598469779 992007753 /nfs/dbraw/zinc/00/77/53/992007753.db2.gz VWHHTCBILDMQBD-UHFFFAOYSA-N -2 0 369.399 0.480 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C(=O)[O-])c2cccnc2)cn1 ZINC001599760279 992112318 /nfs/dbraw/zinc/11/23/18/992112318.db2.gz JKVSWXRCNAFXBZ-LBPRGKRZSA-N -2 0 350.356 0.404 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])cn1 ZINC001599761406 992127579 /nfs/dbraw/zinc/12/75/79/992127579.db2.gz YHNGXGGPJPKKDL-WDEREUQCSA-N -2 0 357.388 0.205 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N1[C@@H](c2ccccc2)SC[C@@H]1C(=O)[O-] ZINC001598479795 992130094 /nfs/dbraw/zinc/13/00/94/992130094.db2.gz FGUPPZAVPUSBMH-DGCLKSJQSA-N -2 0 374.440 0.839 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N1[C@@H](C(=O)[O-])CS[C@H]1c1ccccc1 ZINC001598479797 992130139 /nfs/dbraw/zinc/13/01/39/992130139.db2.gz FGUPPZAVPUSBMH-YPMHNXCESA-N -2 0 374.440 0.839 20 0 FCADRL CN(CCCNC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])CC(F)(F)F ZINC001598480456 992141228 /nfs/dbraw/zinc/14/12/28/992141228.db2.gz MSFUATSBWNRWPZ-UWVGGRQHSA-N -2 0 369.340 0.830 20 0 FCADRL CN(CCCNC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])CC(F)(F)F ZINC001598480460 992141713 /nfs/dbraw/zinc/14/17/13/992141713.db2.gz MSFUATSBWNRWPZ-ZJUUUORDSA-N -2 0 369.340 0.830 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001598481041 992150988 /nfs/dbraw/zinc/15/09/88/992150988.db2.gz SZGDTKLJPLTHGU-UHFFFAOYSA-N -2 0 361.376 0.204 20 0 FCADRL CN(CC[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)Cc1ccc(F)cc1 ZINC001598494400 992342530 /nfs/dbraw/zinc/34/25/30/992342530.db2.gz UMFKYRXVNNGNJK-UHFFFAOYSA-N -2 0 357.363 0.922 20 0 FCADRL CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001598520902 992674448 /nfs/dbraw/zinc/67/44/48/992674448.db2.gz MNPUZGQYMAPTEE-UHFFFAOYSA-N -2 0 371.353 0.193 20 0 FCADRL C[C@@H](NC(=O)NCCn1cc(C(=O)[O-])nn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593098778 993727199 /nfs/dbraw/zinc/72/71/99/993727199.db2.gz OCKFOOPJRYYUMB-KXUCPTDWSA-N -2 0 353.379 0.411 20 0 FCADRL CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001598655799 994518756 /nfs/dbraw/zinc/51/87/56/994518756.db2.gz NWLOPLGEELLJBS-UHFFFAOYSA-N -2 0 356.335 0.716 20 0 FCADRL CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1ccc(C=CC(=O)[O-])cc1 ZINC001598656238 994527682 /nfs/dbraw/zinc/52/76/82/994527682.db2.gz XROGDLHIVKWZPA-VMPITWQZSA-N -2 0 364.383 0.976 20 0 FCADRL COc1cccc([C@H](OC)C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001599661613 994665227 /nfs/dbraw/zinc/66/52/27/994665227.db2.gz OBGKNNVSXONHOL-BREBYQMCSA-N -2 0 359.400 0.938 20 0 FCADRL CNS(=O)(=O)c1cc(NC(=O)c2ccoc2CC(=O)[O-])ccc1[O-] ZINC001598675026 994827586 /nfs/dbraw/zinc/82/75/86/994827586.db2.gz YHCIQEISBHZJDH-UHFFFAOYSA-N -2 0 354.340 0.773 20 0 FCADRL COC(=O)[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccccc1 ZINC001598686880 995009931 /nfs/dbraw/zinc/00/99/31/995009931.db2.gz CDCFAWVARZXAGQ-AWEZNQCLSA-N -2 0 354.340 0.740 20 0 FCADRL COC(=O)[C@@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001598697162 995159180 /nfs/dbraw/zinc/15/91/80/995159180.db2.gz NAFFTFZKDPFWOU-PSASIEDQSA-N -2 0 362.360 0.009 20 0 FCADRL C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)[N-]OCCCC(=O)[O-] ZINC001593420784 995218027 /nfs/dbraw/zinc/21/80/27/995218027.db2.gz WPUQBQKHZZYYAC-ZDUSSCGKSA-N -2 0 366.292 0.531 20 0 FCADRL COC(=O)[C@H]1CN(Cc2ncc(Br)cc2[O-])C[C@@H]1C(=O)[O-] ZINC001598824359 996365697 /nfs/dbraw/zinc/36/56/97/996365697.db2.gz GTEMEIAQKZNQQO-IUCAKERBSA-N -2 0 359.176 0.855 20 0 FCADRL COC(=O)/C=C/c1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])o1 ZINC001598829469 996420305 /nfs/dbraw/zinc/42/03/05/996420305.db2.gz DCOLSQUYJCEKCB-KSOOHAFHSA-N -2 0 359.356 0.635 20 0 FCADRL CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CC1 ZINC001593782891 996490960 /nfs/dbraw/zinc/49/09/60/996490960.db2.gz GQNMLNMHSYDTPN-LLVKDONJSA-N -2 0 352.387 0.413 20 0 FCADRL C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2C(=O)[O-])C1 ZINC001593783753 996498039 /nfs/dbraw/zinc/49/80/39/996498039.db2.gz TVYOLZDNRMZNJG-OAHLLOKOSA-N -2 0 356.281 0.925 20 0 FCADRL COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C)C(=O)[O-] ZINC001598839929 996517143 /nfs/dbraw/zinc/51/71/43/996517143.db2.gz LCRMXUFABDCRFP-SECBINFHSA-N -2 0 359.356 0.296 20 0 FCADRL COC(=O)CC1(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)CCOCC1 ZINC001598842606 996538279 /nfs/dbraw/zinc/53/82/79/996538279.db2.gz LVSXDVHJVSUMEC-UHFFFAOYSA-N -2 0 361.372 0.616 20 0 FCADRL COC(=O)CC[C@@H]([N-]S(=O)(=O)c1onc(C2CC2)c1Cl)C(=O)[O-] ZINC001598857882 996653383 /nfs/dbraw/zinc/65/33/83/996653383.db2.gz BQFDOUANKRXBNQ-SSDOTTSWSA-N -2 0 366.779 0.890 20 0 FCADRL CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)C1 ZINC001599073839 996824289 /nfs/dbraw/zinc/82/42/89/996824289.db2.gz TUMIAPRULJOREN-CYBMUJFWSA-N -2 0 364.276 0.774 20 0 FCADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)NC1(C(=O)[O-])CCOCC1 ZINC001599385159 996931932 /nfs/dbraw/zinc/93/19/32/996931932.db2.gz PXTYODKNNYYICR-UHFFFAOYSA-N -2 0 365.385 0.367 20 0 FCADRL COC1(C[C@H](NS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])C(=O)[O-])CCC1 ZINC001599088273 997140767 /nfs/dbraw/zinc/14/07/67/997140767.db2.gz INCBGORRWYRTRH-SRVKXCTJSA-N -2 0 363.432 0.962 20 0 FCADRL COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)CC2(C(=O)[O-])CCCCC2)C1 ZINC001599196024 997217650 /nfs/dbraw/zinc/21/76/50/997217650.db2.gz VPLSDQBYPFSFJA-HNNXBMFYSA-N -2 0 363.432 0.774 20 0 FCADRL COc1ccc([C@@H](CC(=O)[O-])NC(=O)CSc2n[nH]c(=O)[n-]2)cc1 ZINC001599511216 997301474 /nfs/dbraw/zinc/30/14/74/997301474.db2.gz SWKHMMSGKVHYRF-SNVBAGLBSA-N -2 0 352.372 0.943 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c1 ZINC001598923211 997607300 /nfs/dbraw/zinc/60/73/00/997607300.db2.gz LCIFNBQNGVVJTR-UFBFGSQYSA-N -2 0 371.367 0.655 20 0 FCADRL COc1cc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)c(OC)c1 ZINC001599448972 998058036 /nfs/dbraw/zinc/05/80/36/998058036.db2.gz MYKXCJIGRKWOHS-UHFFFAOYSA-N -2 0 371.371 0.945 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])c(C(=O)[O-])s1 ZINC001598950574 998143125 /nfs/dbraw/zinc/14/31/25/998143125.db2.gz GFRKSNKFMCQBMD-YFKPBYRVSA-N -2 0 351.358 0.327 20 0 FCADRL COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001599144157 998182854 /nfs/dbraw/zinc/18/28/54/998182854.db2.gz XKHKNKCFTXENLF-NSHDSACASA-N -2 0 368.367 0.653 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)n[nH]1 ZINC001598952662 998183409 /nfs/dbraw/zinc/18/34/09/998183409.db2.gz MJDRWQDXUHCXSS-SNVBAGLBSA-N -2 0 371.293 0.224 20 0 FCADRL COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001599366942 998349095 /nfs/dbraw/zinc/34/90/95/998349095.db2.gz GBUZUMHRCVEHHM-MWLCHTKSSA-N -2 0 364.354 0.901 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@@H]2CC=C(C(=O)[O-])C2)c1 ZINC001598962455 998358379 /nfs/dbraw/zinc/35/83/79/998358379.db2.gz BOTPLOLWDFBIRA-SNVBAGLBSA-N -2 0 369.351 0.623 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N(C)C[C@H](C)C(=O)[O-])c1 ZINC001598962537 998359222 /nfs/dbraw/zinc/35/92/22/998359222.db2.gz HNSDJJSLWCLEOX-QMMMGPOBSA-N -2 0 359.356 0.513 20 0 FCADRL COC[C@@](C)([N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1)C(=O)[O-] ZINC001599155557 998366765 /nfs/dbraw/zinc/36/67/65/998366765.db2.gz WSZCOFUQUPUEQM-GTJPDFRWSA-N -2 0 350.418 0.467 20 0 FCADRL COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC001599368682 998375737 /nfs/dbraw/zinc/37/57/37/998375737.db2.gz OTTQXDZDRNVUHV-UHFFFAOYSA-N -2 0 350.327 0.703 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCC(C)(C)C(=O)[O-])c1 ZINC001598963805 998380265 /nfs/dbraw/zinc/38/02/65/998380265.db2.gz QIOXQVKIKYIZEE-UHFFFAOYSA-N -2 0 359.356 0.561 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](C)[C@H]1C(=O)[O-] ZINC001598969041 998478991 /nfs/dbraw/zinc/47/89/91/998478991.db2.gz MDHFFVXTZFDGBL-UFBFGSQYSA-N -2 0 371.367 0.655 20 0 FCADRL COc1ccc(-n2nc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc2C)cc1 ZINC001599473171 998482578 /nfs/dbraw/zinc/48/25/78/998482578.db2.gz WQOWDQRFXGDTLD-SNVBAGLBSA-N -2 0 367.383 0.722 20 0 FCADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)C1 ZINC001594211091 998821249 /nfs/dbraw/zinc/82/12/49/998821249.db2.gz YTYQZVKPCSPPLV-JHJVBQTASA-N -2 0 368.430 0.905 20 0 FCADRL COC(=O)c1cn[n-]c1S(=O)(=O)Oc1ccc(C(=O)[O-])cc1OC ZINC001599007114 998864696 /nfs/dbraw/zinc/86/46/96/998864696.db2.gz CEOKZVGLEMOTPR-UHFFFAOYSA-N -2 0 356.312 0.671 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)c1cccc(C(=O)[O-])c1 ZINC001599016832 998946079 /nfs/dbraw/zinc/94/60/79/998946079.db2.gz LLEJRECLOKCJAQ-UHFFFAOYSA-N -2 0 370.364 0.747 20 0 FCADRL COC(=O)c1nscc1S(=O)(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001599017666 998952228 /nfs/dbraw/zinc/95/22/28/998952228.db2.gz OMRDKIHDXAOMTJ-UHFFFAOYSA-N -2 0 364.401 0.232 20 0 FCADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)NCC[C@H](C)C(=O)[O-] ZINC001599018697 998960312 /nfs/dbraw/zinc/96/03/12/998960312.db2.gz OUWSASZBKVQFQA-LURJTMIESA-N -2 0 365.385 0.622 20 0 FCADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncc(OC)cn1 ZINC001599021513 998983478 /nfs/dbraw/zinc/98/34/78/998983478.db2.gz ZIQMYJGQYHNOJG-UHFFFAOYSA-N -2 0 373.368 0.832 20 0 FCADRL CO[C@@]1(C(=O)[O-])CCN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC001599071968 999339476 /nfs/dbraw/zinc/33/94/76/999339476.db2.gz ZMXQIZHMINPDAY-INIZCTEOSA-N -2 0 363.395 0.387 20 0 FCADRL C[C@H]1CCCc2ncc(C(=O)[N-]S(=O)(=O)N3CCC(C(=O)[O-])CC3)n21 ZINC001594389305 999474713 /nfs/dbraw/zinc/47/47/13/999474713.db2.gz UVFQSTQLIKRBHO-JTQLQIEISA-N -2 0 370.431 0.552 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c(C)cc1F ZINC000291854204 214061355 /nfs/dbraw/zinc/06/13/55/214061355.db2.gz JCAIXRGAKAILLW-SECBINFHSA-N -2 0 363.319 0.127 20 0 FCADRL CC1(C)CC[C@H](C(=O)[O-])N1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000296950987 214371344 /nfs/dbraw/zinc/37/13/44/214371344.db2.gz NBYBXPVWNIYWJT-SECBINFHSA-N -2 0 368.371 0.452 20 0 FCADRL C[C@H]1C(=O)Nc2ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc21 ZINC000264467544 209888516 /nfs/dbraw/zinc/88/85/16/209888516.db2.gz HZZCPRQGWNKFED-HQJQHLMTSA-N -2 0 356.356 0.339 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cn3c(n2)CCCC3)C1 ZINC000366645795 216010090 /nfs/dbraw/zinc/01/00/90/216010090.db2.gz UBZKPSFLJHZOFH-CQSZACIVSA-N -2 0 357.388 0.160 20 0 FCADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)NCC2(N3CCOCC3)CC2)c1 ZINC000277508572 212367065 /nfs/dbraw/zinc/36/70/65/212367065.db2.gz NBYMRQQIHYAZAC-UHFFFAOYSA-N -2 0 372.418 0.975 20 0 FCADRL COc1cc(OC)cc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)c1 ZINC000275103872 211963528 /nfs/dbraw/zinc/96/35/28/211963528.db2.gz MABBRFTZGJLSAM-HNNXBMFYSA-N -2 0 373.383 0.644 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c(C)c1 ZINC000275099022 211961624 /nfs/dbraw/zinc/96/16/24/211961624.db2.gz LHLPCDSZJJQNQG-NWDGAFQWSA-N -2 0 357.384 0.800 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2noc3ccccc32)C1 ZINC000275082399 211960214 /nfs/dbraw/zinc/96/02/14/211960214.db2.gz IXJZPPYOJBETMI-HNNXBMFYSA-N -2 0 368.367 0.909 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)cc(F)c1F ZINC000374445015 217129719 /nfs/dbraw/zinc/12/97/19/217129719.db2.gz XGLSMRUTHDZTQM-CYBMUJFWSA-N -2 0 365.310 0.273 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1c(Cl)ccnc1Cl)C(=O)[O-] ZINC000275015622 211947857 /nfs/dbraw/zinc/94/78/57/211947857.db2.gz QUXXJZDATKFIIO-YFKPBYRVSA-N -2 0 357.171 0.842 20 0 FCADRL COC(=O)c1cc(C)c(C)c(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000274969088 211939787 /nfs/dbraw/zinc/93/97/87/211939787.db2.gz WEPAZNWHKPNPDR-SNVBAGLBSA-N -2 0 359.356 0.296 20 0 FCADRL CC(=O)N1CCCc2ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc21 ZINC000274940459 211934807 /nfs/dbraw/zinc/93/48/07/211934807.db2.gz QUYKRQAKHLPEQH-LBPRGKRZSA-N -2 0 370.383 0.192 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)Cc2noc3ccccc32)C[C@H]1C(=O)[O-] ZINC000274975672 211941945 /nfs/dbraw/zinc/94/19/45/211941945.db2.gz CUINZUJTNDJWKT-MWLCHTKSSA-N -2 0 368.367 0.765 20 0 FCADRL CSc1nc(=NC(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)s[n-]1 ZINC000417761982 245720674 /nfs/dbraw/zinc/72/06/74/245720674.db2.gz LBCUCKRNTMXXLQ-YUMQZZPRSA-N -2 0 373.460 0.514 20 0 FCADRL C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000424394447 247206240 /nfs/dbraw/zinc/20/62/40/247206240.db2.gz TXXBFVPYIAQTOL-YUMQZZPRSA-N -2 0 368.371 0.310 20 0 FCADRL CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000436774057 248050350 /nfs/dbraw/zinc/05/03/50/248050350.db2.gz VESYCHPUXMCVEU-UHFFFAOYSA-N -2 0 355.328 0.791 20 0 FCADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)c1 ZINC000481431762 250336072 /nfs/dbraw/zinc/33/60/72/250336072.db2.gz DLPIQRQNOCBNFQ-UHFFFAOYSA-N -2 0 366.351 0.822 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC000485289935 250579781 /nfs/dbraw/zinc/57/97/81/250579781.db2.gz KFBDKUKYWBZKRH-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC000320011637 488898935 /nfs/dbraw/zinc/89/89/35/488898935.db2.gz HYYPECVHPNCEMD-UHFFFAOYSA-N -2 0 356.381 0.984 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n1 ZINC000067899378 488357659 /nfs/dbraw/zinc/35/76/59/488357659.db2.gz SHYRPZXKAJMDTE-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL O=C(CCCC(=O)/N=c1\[n-]nc2ccccn21)/N=c1\[n-]nc2ccccn21 ZINC000078870762 488425429 /nfs/dbraw/zinc/42/54/29/488425429.db2.gz XXQZAIIOZWQXIL-UHFFFAOYSA-N -2 0 364.369 0.363 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1cnc2onc(C3CC3)c2c1)C(=O)[O-] ZINC000569853924 491199056 /nfs/dbraw/zinc/19/90/56/491199056.db2.gz YEXDDMBVYDBRGV-SECBINFHSA-N -2 0 355.328 0.306 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000262742000 488589190 /nfs/dbraw/zinc/58/91/90/488589190.db2.gz GXPSCHITJNEDJV-JTQLQIEISA-N -2 0 360.363 0.513 20 0 FCADRL CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000262757461 488590569 /nfs/dbraw/zinc/59/05/69/488590569.db2.gz JZQKKTVKJVMOAN-UHFFFAOYSA-N -2 0 370.427 0.890 20 0 FCADRL CCCC[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000274068578 488681932 /nfs/dbraw/zinc/68/19/32/488681932.db2.gz KKDOSTQCEXWTFN-VIFPVBQESA-N -2 0 356.360 0.358 20 0 FCADRL O=C([O-])COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc1F ZINC000274388539 488703587 /nfs/dbraw/zinc/70/35/87/488703587.db2.gz UTWXKRIGENVOMA-VIFPVBQESA-N -2 0 361.347 0.774 20 0 FCADRL Cc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1Br ZINC000274930693 488744778 /nfs/dbraw/zinc/74/47/78/488744778.db2.gz CZSQDZCQHSVHMB-UHFFFAOYSA-N -2 0 366.189 0.917 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000274936005 488745241 /nfs/dbraw/zinc/74/52/41/488745241.db2.gz FICDKWWAHINELF-UHFFFAOYSA-N -2 0 371.289 0.788 20 0 FCADRL COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000274950567 488747241 /nfs/dbraw/zinc/74/72/41/488747241.db2.gz SMQJSBRTSJDGIX-QMMMGPOBSA-N -2 0 365.747 0.333 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccc3c2OCCO3)C[C@@H]1C(=O)[O-] ZINC000274961155 488748441 /nfs/dbraw/zinc/74/84/41/488748441.db2.gz BLHDZBDEDMRIMH-ZJUUUORDSA-N -2 0 371.367 0.254 20 0 FCADRL COC(=O)c1ccccc1CS(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-] ZINC000275008132 488752825 /nfs/dbraw/zinc/75/28/25/488752825.db2.gz PMDPCDIPJNIJJE-JTQLQIEISA-N -2 0 359.356 0.068 20 0 FCADRL COC(=O)c1cc(C)c(C)c(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1 ZINC000275019283 488753850 /nfs/dbraw/zinc/75/38/50/488753850.db2.gz RKYKTLWEYCNUDI-UHFFFAOYSA-N -2 0 359.356 0.250 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)o1 ZINC000275073394 488759191 /nfs/dbraw/zinc/75/91/91/488759191.db2.gz HITYDFHZGWZXTH-ZDUSSCGKSA-N -2 0 361.328 0.006 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2noc3ccccc32)C1 ZINC000275082403 488759913 /nfs/dbraw/zinc/75/99/13/488759913.db2.gz IXJZPPYOJBETMI-OAHLLOKOSA-N -2 0 368.367 0.909 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)c(C)c1 ZINC000275102476 488761846 /nfs/dbraw/zinc/76/18/46/488761846.db2.gz LSCCUOXFTDMVEX-HNNXBMFYSA-N -2 0 357.384 0.944 20 0 FCADRL COc1ccc(Cl)c(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000275142531 488765784 /nfs/dbraw/zinc/76/57/84/488765784.db2.gz XAXBEUZMVDQCSR-VIFPVBQESA-N -2 0 351.764 0.945 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])ccc1C ZINC000275148533 488766238 /nfs/dbraw/zinc/76/62/38/488766238.db2.gz YDTKIYOLSCKFSV-NSHDSACASA-N -2 0 359.356 0.378 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cc1 ZINC000275151608 488766581 /nfs/dbraw/zinc/76/65/81/488766581.db2.gz RRVIIKXLUZSWGD-HNNXBMFYSA-N -2 0 370.383 0.585 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000275173219 488768593 /nfs/dbraw/zinc/76/85/93/488768593.db2.gz VSMJZICSKKYFQT-OAHLLOKOSA-N -2 0 371.367 0.398 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)C1 ZINC000275200775 488771616 /nfs/dbraw/zinc/77/16/16/488771616.db2.gz YXNGFMXAAQYZOI-MRXNPFEDSA-N -2 0 369.395 0.952 20 0 FCADRL CCOc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cn1 ZINC000275213449 488773449 /nfs/dbraw/zinc/77/34/49/488773449.db2.gz ZZMNODXXHLBTIZ-QWRGUYRKSA-N -2 0 358.372 0.276 20 0 FCADRL C[C@@H](CC(C)(C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000275276688 488779505 /nfs/dbraw/zinc/77/95/05/488779505.db2.gz RFIZKXVWSJZQLP-ZETCQYMHSA-N -2 0 370.387 0.604 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccc(OC(F)F)c(F)c1)C(=O)[O-] ZINC000280450660 489009800 /nfs/dbraw/zinc/00/98/00/489009800.db2.gz KSJBLBFGRSYMMT-ZETCQYMHSA-N -2 0 357.262 0.633 20 0 FCADRL Cc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1C(=O)OC(C)C ZINC000289792744 489093717 /nfs/dbraw/zinc/09/37/17/489093717.db2.gz RBOYGZBVTQUMCB-UHFFFAOYSA-N -2 0 373.383 0.720 20 0 FCADRL CCOc1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1 ZINC000282860116 489195045 /nfs/dbraw/zinc/19/50/45/489195045.db2.gz OIJOJKOYAYUQFB-CHWSQXEVSA-N -2 0 357.384 0.881 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cn1 ZINC000298862161 489375361 /nfs/dbraw/zinc/37/53/61/489375361.db2.gz PMKQQORVEUXACG-UHFFFAOYSA-N -2 0 358.401 0.498 20 0 FCADRL O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000428063225 489635943 /nfs/dbraw/zinc/63/59/43/489635943.db2.gz SIHVAKZOPIVVRK-LBPRGKRZSA-N -2 0 354.322 0.862 20 0 FCADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000489375084 489708325 /nfs/dbraw/zinc/70/83/25/489708325.db2.gz AGMNKXLHKBIEBB-UHFFFAOYSA-N -2 0 352.372 0.344 20 0 FCADRL CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000489694361 489724575 /nfs/dbraw/zinc/72/45/75/489724575.db2.gz HRXCDNDFJWXGOR-UHFFFAOYSA-N -2 0 370.362 0.609 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1C(N)=O ZINC000474389124 489759130 /nfs/dbraw/zinc/75/91/30/489759130.db2.gz LQFBKXYBTZQBDL-UHFFFAOYSA-N -2 0 367.339 0.394 20 0 FCADRL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c(C(N)=O)n1 ZINC000430980049 489782999 /nfs/dbraw/zinc/78/29/99/489782999.db2.gz XYZHHGRKFGQGKX-UHFFFAOYSA-N -2 0 370.362 0.948 20 0 FCADRL COC(=O)c1c[nH]c(C(=O)OC)c1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000430983827 489783212 /nfs/dbraw/zinc/78/32/12/489783212.db2.gz JFNRHYRHSSHIME-UHFFFAOYSA-N -2 0 371.327 0.415 20 0 FCADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)c1 ZINC000477519950 489970869 /nfs/dbraw/zinc/97/08/69/489970869.db2.gz BBZFUTSJHHFXMJ-UHFFFAOYSA-N -3 0 367.368 0.928 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000532845084 490127687 /nfs/dbraw/zinc/12/76/87/490127687.db2.gz LJTFDNXKJBWZQI-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL CS(=O)(=O)Nc1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000390540818 490137284 /nfs/dbraw/zinc/13/72/84/490137284.db2.gz MOKGUPVZNWCPKH-UHFFFAOYSA-N -2 0 359.385 0.885 20 0 FCADRL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000507883144 490275131 /nfs/dbraw/zinc/27/51/31/490275131.db2.gz UYUYDBHSZQFCPX-UHFFFAOYSA-N -2 0 366.297 0.370 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000547577315 490322001 /nfs/dbraw/zinc/32/20/01/490322001.db2.gz YMPALVSRIYQGAA-LURJTMIESA-N -2 0 366.735 0.702 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cs1 ZINC000547608257 490328833 /nfs/dbraw/zinc/32/88/33/490328833.db2.gz ZDYFELJKVQBWKK-LBPRGKRZSA-N -2 0 365.385 0.379 20 0 FCADRL COc1cc(OC)cc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000547608280 490330324 /nfs/dbraw/zinc/33/03/24/490330324.db2.gz AMOJRRFWECJQBU-CQSZACIVSA-N -2 0 361.372 0.548 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1C(N)=O ZINC000547869678 490369736 /nfs/dbraw/zinc/36/97/36/490369736.db2.gz MJODLGALXGHBOC-UHFFFAOYSA-N -3 0 367.339 0.321 20 0 FCADRL C[C@@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@H](C(=O)[O-])C1 ZINC000547918188 490385736 /nfs/dbraw/zinc/38/57/36/490385736.db2.gz MNKBHJJMJAPHRO-XCBNKYQSSA-N -2 0 368.371 0.310 20 0 FCADRL CO[C@H](C)CS(=O)(=O)[N-]c1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000509089740 490388177 /nfs/dbraw/zinc/38/81/77/490388177.db2.gz LYUUFSHIAYWCDU-SECBINFHSA-N -2 0 364.445 0.610 20 0 FCADRL CC(=O)Nc1cc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])ccc1C ZINC000547933494 490390974 /nfs/dbraw/zinc/39/09/74/490390974.db2.gz LOSIPZVQMQBMOG-HNNXBMFYSA-N -2 0 372.399 0.797 20 0 FCADRL O=C([O-])c1ccc(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)o1 ZINC000547932374 490391310 /nfs/dbraw/zinc/39/13/10/490391310.db2.gz DCXWRQBBJAUTTI-UHFFFAOYSA-N -2 0 366.311 0.206 20 0 FCADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1n[nH]c(C)c1C(N)=O ZINC000499334863 490413795 /nfs/dbraw/zinc/41/37/95/490413795.db2.gz RGYWPDXUYDNOQR-UHFFFAOYSA-N -2 0 368.371 0.254 20 0 FCADRL CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000548207549 490438827 /nfs/dbraw/zinc/43/88/27/490438827.db2.gz LXPAXJOIMTXLMC-NSHDSACASA-N -2 0 372.399 0.877 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)N2CCc3ccccc3C2)C1 ZINC000548246216 490448913 /nfs/dbraw/zinc/44/89/13/490448913.db2.gz DPAUWZIQZZCLAY-MRXNPFEDSA-N -2 0 368.411 0.541 20 0 FCADRL COC(=O)c1ccccc1CS(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000548261325 490452662 /nfs/dbraw/zinc/45/26/62/490452662.db2.gz AZFFCZUQIUAOOI-OAHLLOKOSA-N -2 0 373.383 0.458 20 0 FCADRL CC(C)(C)c1nc(=NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)s[n-]1 ZINC000422683701 490454440 /nfs/dbraw/zinc/45/44/40/490454440.db2.gz NGEPGUGZWWANFA-XXFAHNHDSA-N -2 0 366.443 0.909 20 0 FCADRL CC(C)[C@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000564855614 491331460 /nfs/dbraw/zinc/33/14/60/491331460.db2.gz GTWLVZKPVFSKTI-XCBNKYQSSA-N -2 0 370.387 0.460 20 0 FCADRL CCc1noc2ncc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc12 ZINC000548549784 490504458 /nfs/dbraw/zinc/50/44/58/490504458.db2.gz LHZJLSLKBFRPMC-ZETCQYMHSA-N -2 0 357.344 0.239 20 0 FCADRL COC(=O)c1cccc(CS(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000548590284 490513291 /nfs/dbraw/zinc/51/32/91/490513291.db2.gz JFHOXZFGYWYNAS-OAHLLOKOSA-N -2 0 373.383 0.458 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000548593744 490514905 /nfs/dbraw/zinc/51/49/05/490514905.db2.gz LRQNUAIQAOHXAX-AWEZNQCLSA-N -2 0 359.356 0.317 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)cc1C(=O)[O-] ZINC000524229125 490526612 /nfs/dbraw/zinc/52/66/12/490526612.db2.gz JKXQVJISZYBMOG-UHFFFAOYSA-N -2 0 352.372 0.566 20 0 FCADRL CCn1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(C(N)=O)n1 ZINC000549721556 490596645 /nfs/dbraw/zinc/59/66/45/490596645.db2.gz XSKXCCUHBKRSCB-UHFFFAOYSA-N -2 0 352.372 0.430 20 0 FCADRL COC(=O)CC[C@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000565057936 491348883 /nfs/dbraw/zinc/34/88/83/491348883.db2.gz NLVQODSGWOWHIK-ZETCQYMHSA-N -2 0 373.280 0.928 20 0 FCADRL CC(C)(C)c1cc(CS(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])no1 ZINC000516775592 490877479 /nfs/dbraw/zinc/87/74/79/490877479.db2.gz VPAXOVSIHRZWJE-AWEZNQCLSA-N -2 0 362.404 0.957 20 0 FCADRL NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000544647525 490974285 /nfs/dbraw/zinc/97/42/85/490974285.db2.gz NTQVOAOIMMNKKG-UHFFFAOYSA-N -2 0 356.381 0.833 20 0 FCADRL C[C@H](C(=O)[O-])N(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C1CC1 ZINC000519652637 490982525 /nfs/dbraw/zinc/98/25/25/490982525.db2.gz NCCJYHDZPOOSNI-MRVPVSSYSA-N -2 0 362.354 0.707 20 0 FCADRL O=C([O-])CNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000562489245 491169615 /nfs/dbraw/zinc/16/96/15/491169615.db2.gz FAMIZCIEJNRYQW-UHFFFAOYSA-N -2 0 355.199 0.863 20 0 FCADRL O=c1[n-]c([C@@H]2CCCN(CC3=Nc4ccccc4S(=O)(=O)[N-]3)C2)n[nH]1 ZINC000577538874 491630841 /nfs/dbraw/zinc/63/08/41/491630841.db2.gz QYHNQIVZEALKLG-SNVBAGLBSA-N -2 0 362.415 0.712 20 0 FCADRL O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000582184081 491801498 /nfs/dbraw/zinc/80/14/98/491801498.db2.gz LHALBGRNNNTZDH-UHFFFAOYSA-N -2 0 356.342 0.873 20 0 FCADRL COCc1cccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)c1 ZINC000583540607 491847050 /nfs/dbraw/zinc/84/70/50/491847050.db2.gz BHYLRPRFGVDNPP-HNNXBMFYSA-N -2 0 357.384 0.773 20 0 FCADRL CC[C@@H](C)[C@H]1CN(C(=O)c2cc(=O)[nH][n-]2)CCN1C(=O)c1cc(=O)[nH][n-]1 ZINC000612882637 491956986 /nfs/dbraw/zinc/95/69/86/491956986.db2.gz FZVKAYCOFRYFSW-BXKDBHETSA-N -2 0 362.390 0.557 20 0 FCADRL Cn1[n-]c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc(=O)n(C)[n-]2)cc1=O ZINC000616781775 492143548 /nfs/dbraw/zinc/14/35/48/492143548.db2.gz VUWKAFDGNXCAPX-NXEZZACHSA-N -2 0 362.390 0.036 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cn1 ZINC000609575552 492214658 /nfs/dbraw/zinc/21/46/58/492214658.db2.gz IQWFXNSHVMIKJG-UHFFFAOYSA-N -2 0 359.385 0.925 20 0 FCADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(CCO)c2)c1 ZINC000619956418 492284384 /nfs/dbraw/zinc/28/43/84/492284384.db2.gz FTVBFKYOIBVWTN-UHFFFAOYSA-N -3 0 355.328 0.073 20 0 FCADRL COc1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1F ZINC000656158774 492558965 /nfs/dbraw/zinc/55/89/65/492558965.db2.gz NPQXWGIELKBSTF-IUCAKERBSA-N -2 0 361.347 0.630 20 0 FCADRL Cn1nc(C(F)(F)F)cc1S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000629294267 492603244 /nfs/dbraw/zinc/60/32/44/492603244.db2.gz CZKUDQPCGGFKGM-JTQLQIEISA-N -2 0 373.309 0.283 20 0 FCADRL Cn1nc(C(F)(F)F)cc1S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000629294268 492603303 /nfs/dbraw/zinc/60/33/03/492603303.db2.gz CZKUDQPCGGFKGM-SNVBAGLBSA-N -2 0 373.309 0.283 20 0 FCADRL COCCOc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cnn(C)c1 ZINC000629324861 492608349 /nfs/dbraw/zinc/60/83/49/492608349.db2.gz XQJCFDSIBYXITB-UHFFFAOYSA-N -2 0 355.372 0.944 20 0 FCADRL CC(C)(C)CN(CC(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000656527374 492630396 /nfs/dbraw/zinc/63/03/96/492630396.db2.gz KAKBCLLEYBKIOH-UHFFFAOYSA-N -2 0 370.387 0.557 20 0 FCADRL COc1ncc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1Cl ZINC000650392599 492637586 /nfs/dbraw/zinc/63/75/86/492637586.db2.gz QEMPRANYRVVYPO-QMMMGPOBSA-N -2 0 352.752 0.340 20 0 FCADRL COc1ccc(F)cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000650417670 492640053 /nfs/dbraw/zinc/64/00/53/492640053.db2.gz URNLRBVXABMLOZ-VHSXEESVSA-N -2 0 361.347 0.630 20 0 FCADRL CC(C)(C)n1cnc(=NC(=O)C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)[n-]1 ZINC000652618273 492971383 /nfs/dbraw/zinc/97/13/83/492971383.db2.gz HQUKSRQSTZJZIN-GOSISDBHSA-N -2 0 373.413 0.552 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)C1 ZINC000653309923 493091561 /nfs/dbraw/zinc/09/15/61/493091561.db2.gz PAZYWZUOZMXMKS-TUAOUCFPSA-N -2 0 352.387 0.411 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1cnn(-c2ccccc2)c1)C(=O)[O-] ZINC000681563360 493187030 /nfs/dbraw/zinc/18/70/30/493187030.db2.gz SRJGMNVEXWOBHD-GFCCVEGCSA-N -2 0 353.356 0.469 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000681582103 493190774 /nfs/dbraw/zinc/19/07/74/493190774.db2.gz QIMQLVSTCWUYTA-UHFFFAOYSA-N -2 0 371.289 0.886 20 0 FCADRL COC[C@@H](C)S(=O)(=O)N[C@@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684562350 493419360 /nfs/dbraw/zinc/41/93/60/493419360.db2.gz UVMVNJSQIZKYLT-MFKMUULPSA-N -2 0 359.400 0.264 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)ccc1OCC(=O)[O-] ZINC000671661386 493701847 /nfs/dbraw/zinc/70/18/47/493701847.db2.gz ONRPULDIKDAGFK-UHFFFAOYSA-N -2 0 354.344 0.081 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)cc1C(=O)[O-] ZINC000680837090 493731649 /nfs/dbraw/zinc/73/16/49/493731649.db2.gz AYENFPXQTULRFP-UHFFFAOYSA-N -2 0 354.344 0.406 20 0 FCADRL Cn1cccc1C(=O)N[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000047906751 674350336 /nfs/dbraw/zinc/35/03/36/674350336.db2.gz RFVZMFURQKMKNC-UHFFFAOYSA-N -2 0 353.356 0.112 20 0 FCADRL CCS(=O)(=O)N(C)CCCNS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000550828639 547108800 /nfs/dbraw/zinc/10/88/00/547108800.db2.gz LDMHUIQLBQDCPJ-UHFFFAOYSA-N -2 0 370.474 0.396 20 0 FCADRL Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N=c2ccn(CC(=O)[O-])[nH]2)c1 ZINC000485895183 547352439 /nfs/dbraw/zinc/35/24/39/547352439.db2.gz LUPLCXXVKFJSAC-UHFFFAOYSA-N -2 0 352.372 0.322 20 0 FCADRL CCC[C@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)c1nnn[n-]1 ZINC000818156995 596980774 /nfs/dbraw/zinc/98/07/74/596980774.db2.gz HPQYYRHLZFMDFU-WCQYABFASA-N -2 0 357.374 0.877 20 0 FCADRL COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N(C)[C@H](C)C(=O)[O-])cc2)[n-]1 ZINC000818506862 597463630 /nfs/dbraw/zinc/46/36/30/597463630.db2.gz OTJYAZWHHBHHLD-SNVBAGLBSA-N -2 0 361.354 0.426 20 0 FCADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000738041050 599727691 /nfs/dbraw/zinc/72/76/91/599727691.db2.gz WQAJQGWEEOLDNY-VHSXEESVSA-N -2 0 356.356 0.179 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)ccc1S(N)(=O)=O ZINC000738463835 599739945 /nfs/dbraw/zinc/73/99/45/599739945.db2.gz WUSUXTHZZJYOGA-UHFFFAOYSA-N -2 0 360.369 0.734 20 0 FCADRL O=C([O-])NCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000739957627 599797571 /nfs/dbraw/zinc/79/75/71/599797571.db2.gz XZRDKBJQXCJXBS-UHFFFAOYSA-N -2 0 358.372 0.701 20 0 FCADRL O=C([O-])CSCCC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000739845056 599800982 /nfs/dbraw/zinc/80/09/82/599800982.db2.gz CTXFLBJQEAPNEU-UHFFFAOYSA-N -2 0 352.821 0.889 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-])cc1 ZINC000736166210 599910598 /nfs/dbraw/zinc/91/05/98/599910598.db2.gz ZBDZCAQUHOXBSD-UHFFFAOYSA-N -2 0 357.388 0.840 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-])s1 ZINC000737701298 599912255 /nfs/dbraw/zinc/91/22/55/599912255.db2.gz XULHTCLECVEXFN-UHFFFAOYSA-N -2 0 364.401 0.730 20 0 FCADRL CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000737177496 599912643 /nfs/dbraw/zinc/91/26/43/599912643.db2.gz OVMRVHDDAUCIQR-LLVKDONJSA-N -2 0 359.400 0.772 20 0 FCADRL CCn1nc(C)c(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1C ZINC000737308980 600002758 /nfs/dbraw/zinc/00/27/58/600002758.db2.gz BZJBMFWZYSRSES-UHFFFAOYSA-N -2 0 358.420 0.291 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cc1C(N)=O ZINC000323955680 600052967 /nfs/dbraw/zinc/05/29/67/600052967.db2.gz PWORTIQPRWDMRE-UHFFFAOYSA-N -2 0 371.396 0.679 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCNC(=O)C3)cc2)o1 ZINC000740307666 600106168 /nfs/dbraw/zinc/10/61/68/600106168.db2.gz TUEVOBVSOMWYEO-UHFFFAOYSA-N -2 0 365.367 0.715 20 0 FCADRL CO[C@@](C)(C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000737724076 600122359 /nfs/dbraw/zinc/12/23/59/600122359.db2.gz UBOYSWSPPTZGAB-MRXNPFEDSA-N -2 0 370.427 0.706 20 0 FCADRL CCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000736840271 600129261 /nfs/dbraw/zinc/12/92/61/600129261.db2.gz WAVBPILXGZOGNG-VIFPVBQESA-N -2 0 374.440 0.900 20 0 FCADRL O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000739623065 600152190 /nfs/dbraw/zinc/15/21/90/600152190.db2.gz BCWUPKRLNLZYKJ-ZDUSSCGKSA-N -2 0 353.338 0.109 20 0 FCADRL C[C@H](Sc1ccccc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1)C(=O)[O-] ZINC000736714679 600170369 /nfs/dbraw/zinc/17/03/69/600170369.db2.gz YXPRQXZNOKFJCT-ONGXEEELSA-N -2 0 363.399 0.979 20 0 FCADRL Cc1nc(COc2ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc2)no1 ZINC000738857269 600179139 /nfs/dbraw/zinc/17/91/39/600179139.db2.gz LPTMPRXNWLHSJI-UHFFFAOYSA-N -2 0 355.328 0.101 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000739842961 600179848 /nfs/dbraw/zinc/17/98/48/600179848.db2.gz VULLZJLIDBPRQX-UHFFFAOYSA-N -2 0 353.356 0.189 20 0 FCADRL CC[C@@](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)(C(=O)[O-])c1ccccc1 ZINC000736911722 600202443 /nfs/dbraw/zinc/20/24/43/600202443.db2.gz WKDNDWFCEQZCAT-KRWDZBQOSA-N -2 0 355.354 0.578 20 0 FCADRL CNC(=O)Nc1cccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])c1 ZINC000737542934 600230499 /nfs/dbraw/zinc/23/04/99/600230499.db2.gz LKYCJFDLKGQWGO-UHFFFAOYSA-N -2 0 353.360 0.968 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(CNC(N)=O)cc2)c1C(=O)[O-] ZINC000738829108 600234328 /nfs/dbraw/zinc/23/43/28/600234328.db2.gz KCERVPXJVVHEGK-UHFFFAOYSA-N -2 0 353.360 0.385 20 0 FCADRL CON(C)C(=O)c1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cc1 ZINC000737835639 600234755 /nfs/dbraw/zinc/23/47/55/600234755.db2.gz IJZXAKIVXPKEPV-UHFFFAOYSA-N -2 0 368.371 0.851 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@H](c1ccccc1)n1cccn1 ZINC000739695105 600459663 /nfs/dbraw/zinc/45/96/63/600459663.db2.gz FLYLKXSPUDUZIS-AWEZNQCLSA-N -2 0 351.384 0.783 20 0 FCADRL CC(=O)c1cccc(O[C@H](C)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1 ZINC000736196485 600460334 /nfs/dbraw/zinc/46/03/34/600460334.db2.gz ONOFMBXFCUPHNE-LLVKDONJSA-N -2 0 357.384 0.967 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000739695116 600463047 /nfs/dbraw/zinc/46/30/47/600463047.db2.gz GKXCAPFAZJXBBG-LBPRGKRZSA-N -2 0 372.374 0.489 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000739690873 600463352 /nfs/dbraw/zinc/46/33/52/600463352.db2.gz CGDFJVLEFANRRI-UHFFFAOYSA-N -2 0 354.384 0.738 20 0 FCADRL NC(=O)CSc1ccccc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000739160151 600464248 /nfs/dbraw/zinc/46/42/48/600464248.db2.gz GUFCSQACHMKUJH-UHFFFAOYSA-N -2 0 360.413 0.188 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000739695101 600464709 /nfs/dbraw/zinc/46/47/09/600464709.db2.gz DRASKACZGJLCIW-JTQLQIEISA-N -2 0 372.374 0.489 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCn1cnc2sccc2c1=O ZINC000739691533 600464739 /nfs/dbraw/zinc/46/47/39/600464739.db2.gz IUSIUPNRCMKSBC-UHFFFAOYSA-N -2 0 373.412 0.159 20 0 FCADRL CS(=O)(=O)Cc1cccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1 ZINC000738154996 600465606 /nfs/dbraw/zinc/46/56/06/600465606.db2.gz ORORORVRUXBHGG-UHFFFAOYSA-N -2 0 363.413 0.156 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCN1C(=O)CCc2ccccc21 ZINC000739690932 600511605 /nfs/dbraw/zinc/51/16/05/600511605.db2.gz CMQZHNIIZHFHGD-UHFFFAOYSA-N -2 0 368.411 0.667 20 0 FCADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cn1 ZINC000324455858 600529299 /nfs/dbraw/zinc/52/92/99/600529299.db2.gz FLQIFPMXMGRUML-UHFFFAOYSA-N -2 0 353.356 0.930 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])cn1 ZINC000737631965 600529621 /nfs/dbraw/zinc/52/96/21/600529621.db2.gz YBXPIANUGXZPBJ-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL COC(=O)COc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1 ZINC000737623578 600530944 /nfs/dbraw/zinc/53/09/44/600530944.db2.gz WNHYZKZEEJZZMV-UHFFFAOYSA-N -2 0 369.355 0.320 20 0 FCADRL Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000324856133 600671968 /nfs/dbraw/zinc/67/19/68/600671968.db2.gz IAMGWNRLFLJIIZ-UHFFFAOYSA-N -2 0 373.412 0.480 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)cn1 ZINC000392678032 600674522 /nfs/dbraw/zinc/67/45/22/600674522.db2.gz KUSQCPIAWPZXRI-UHFFFAOYSA-N -2 0 362.371 0.408 20 0 FCADRL CCNC(=O)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c(C)c1 ZINC000326726234 600676617 /nfs/dbraw/zinc/67/66/17/600676617.db2.gz CWEIJLLQADDPAY-UHFFFAOYSA-N -2 0 366.399 0.827 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(N3CCOC3=O)cc2)cn1 ZINC000833274876 600677086 /nfs/dbraw/zinc/67/70/86/600677086.db2.gz LNWOGISICGYILI-UHFFFAOYSA-N -2 0 366.355 0.725 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)cn1 ZINC000831192180 600678238 /nfs/dbraw/zinc/67/82/38/600678238.db2.gz FFEMVUNYVNZBSL-UHFFFAOYSA-N -2 0 368.371 0.971 20 0 FCADRL COc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c(OC)c1OC ZINC000832419625 600679957 /nfs/dbraw/zinc/67/99/57/600679957.db2.gz SMEDCBKMVHZWLW-UHFFFAOYSA-N -2 0 371.371 0.794 20 0 FCADRL NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccsc1C(=O)[O-] ZINC000739201279 600680127 /nfs/dbraw/zinc/68/01/27/600680127.db2.gz NWIFIPSFLKZSMY-UHFFFAOYSA-N -2 0 362.410 0.895 20 0 FCADRL COC(=O)c1ccc(OC)cc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000831440349 600682861 /nfs/dbraw/zinc/68/28/61/600682861.db2.gz WYEOJFFABKGDPJ-UHFFFAOYSA-N -2 0 369.355 0.564 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)ccc1C ZINC000831348457 600814825 /nfs/dbraw/zinc/81/48/25/600814825.db2.gz PETKCSGBDRJFFX-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL COCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cn1 ZINC000324768750 600827051 /nfs/dbraw/zinc/82/70/51/600827051.db2.gz BUMAHVGXFJUKFJ-UHFFFAOYSA-N -2 0 355.372 0.944 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c(F)c1 ZINC000825913166 600986138 /nfs/dbraw/zinc/98/61/38/600986138.db2.gz LLMGYCOIXCOUBK-UHFFFAOYSA-N -2 0 357.323 0.261 20 0 FCADRL Cn1c2ccc(F)cc2nc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833039969 600988818 /nfs/dbraw/zinc/98/88/18/600988818.db2.gz YAMRZRVQFJSUTM-UHFFFAOYSA-N -2 0 353.335 0.794 20 0 FCADRL COc1ccc(OCCS(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1 ZINC000738049645 601047468 /nfs/dbraw/zinc/04/74/68/601047468.db2.gz SFCDPBNETGLOEU-UHFFFAOYSA-N -2 0 355.372 0.797 20 0 FCADRL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)s1 ZINC000833087054 601239460 /nfs/dbraw/zinc/23/94/60/601239460.db2.gz YQJOESXXZRDRMN-HTQZYQBOSA-N -2 0 360.413 0.543 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1C(N)=O ZINC000832954527 601239621 /nfs/dbraw/zinc/23/96/21/601239621.db2.gz IQFLVYGFCOUQEN-GHMZBOCLSA-N -2 0 368.411 0.790 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1C(N)=O ZINC000832954529 601239627 /nfs/dbraw/zinc/23/96/27/601239627.db2.gz IQFLVYGFCOUQEN-MNOVXSKESA-N -2 0 368.411 0.790 20 0 FCADRL COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1 ZINC000831125186 601326080 /nfs/dbraw/zinc/32/60/80/601326080.db2.gz YSKPFMPKTODGIS-QPJJXVBHSA-N -2 0 365.367 0.955 20 0 FCADRL COC(=O)C[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)C(=O)[O-] ZINC000831134509 601384478 /nfs/dbraw/zinc/38/44/78/601384478.db2.gz QIWJPXWAFKPEGI-VIFPVBQESA-N -2 0 351.340 0.370 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)Cc2ccc(F)cc2F)CC1 ZINC000833118881 601598954 /nfs/dbraw/zinc/59/89/54/601598954.db2.gz SLAPVHUMMBCYPQ-UHFFFAOYSA-N -2 0 362.354 0.665 20 0 FCADRL Cc1nnnn1-c1cc(NS(=O)(=O)C[C@@H](C)C(=O)[O-])ccc1C(=O)[O-] ZINC000833020037 601617346 /nfs/dbraw/zinc/61/73/46/601617346.db2.gz YNTFOWVFXGGOHD-SSDOTTSWSA-N -2 0 369.359 0.131 20 0 FCADRL COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@H](C(=O)[O-])C3CC3)cc2)[n-]1 ZINC000831188641 601703308 /nfs/dbraw/zinc/70/33/08/601703308.db2.gz FJVSYKVBFIMVCR-INIZCTEOSA-N -2 0 373.365 0.474 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1C(=O)[O-] ZINC000833053512 601785227 /nfs/dbraw/zinc/78/52/27/601785227.db2.gz WMHVOHKRFQBWPS-UHFFFAOYSA-N -2 0 351.340 0.969 20 0 FCADRL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)ccc1O ZINC000825890833 602198313 /nfs/dbraw/zinc/19/83/13/602198313.db2.gz XVJFAEWIFTVLGS-UHFFFAOYSA-N -2 0 354.344 0.433 20 0 FCADRL O=C([O-])c1cn(CC(=O)[N-]S(=O)(=O)c2cnccn2)c2ccccc12 ZINC000833119899 602201418 /nfs/dbraw/zinc/20/14/18/602201418.db2.gz MSNJFSLLQWPMAT-UHFFFAOYSA-N -2 0 360.351 0.635 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738228848 603199997 /nfs/dbraw/zinc/19/99/97/603199997.db2.gz CPHKJVGXGHZLQN-LLVKDONJSA-N -2 0 372.385 0.749 20 0 FCADRL COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000737724258 604373845 /nfs/dbraw/zinc/37/38/45/604373845.db2.gz XFVHKLFXLZGPPC-QMMMGPOBSA-N -2 0 364.401 0.632 20 0 FCADRL CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000827011846 604436807 /nfs/dbraw/zinc/43/68/07/604436807.db2.gz RNVFRNDKGNGGAU-JTQLQIEISA-N -2 0 350.331 0.386 20 0 FCADRL Cc1cc(C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000832859714 604448443 /nfs/dbraw/zinc/44/84/43/604448443.db2.gz QCMRAODKEVXUGI-JTQLQIEISA-N -2 0 364.358 0.695 20 0 FCADRL Cn1nnnc1-c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833759347 604686414 /nfs/dbraw/zinc/68/64/14/604686414.db2.gz GWIAXYQVKCXREC-UHFFFAOYSA-N -2 0 360.355 0.771 20 0 FCADRL CCOC(=O)Cc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)s1 ZINC000833658468 604701870 /nfs/dbraw/zinc/70/18/70/604701870.db2.gz CPIOAFUMJVHUCO-UHFFFAOYSA-N -2 0 372.384 0.538 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)cc1 ZINC000320516305 604889484 /nfs/dbraw/zinc/88/94/84/604889484.db2.gz FRTDUTYJCZHMKQ-UHFFFAOYSA-N -2 0 356.381 0.984 20 0 FCADRL Cc1sc2ncc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c(=O)n2c1C ZINC000833758709 605087371 /nfs/dbraw/zinc/08/73/71/605087371.db2.gz NCSVXLGTIIVSJP-UHFFFAOYSA-N -2 0 373.412 0.297 20 0 FCADRL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)[O-])C(C)C)cc1 ZINC000833700810 605231776 /nfs/dbraw/zinc/23/17/76/605231776.db2.gz SIAIMHSAGNBVHA-NSHDSACASA-N -2 0 357.388 0.143 20 0 FCADRL CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000833397934 605291971 /nfs/dbraw/zinc/29/19/71/605291971.db2.gz RGLQKZSGBOQMMT-ZDUSSCGKSA-N -2 0 356.400 0.741 20 0 FCADRL Cc1cc(C(=O)NCc2n[nH]c(=O)[n-]2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826260083 609162091 /nfs/dbraw/zinc/16/20/91/609162091.db2.gz VIGVSRFQWCDULH-UHFFFAOYSA-N -2 0 366.345 0.115 20 0 FCADRL N#Cc1ccccc1CS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000325567603 663288726 /nfs/dbraw/zinc/28/87/26/663288726.db2.gz KRMGQDFJVDQSMF-STQMWFEESA-N -2 0 352.368 0.495 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@@H](C)CCC(=O)[O-])c1 ZINC000262076490 664988529 /nfs/dbraw/zinc/98/85/29/664988529.db2.gz AZBLMFXUHPPLPG-VIFPVBQESA-N -2 0 371.415 1.000 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)C(=O)[O-] ZINC000916106260 666990439 /nfs/dbraw/zinc/99/04/39/666990439.db2.gz BNWXTDOWPTXRRI-SECBINFHSA-N -3 0 365.747 0.635 20 0 FCADRL Cc1cc(C)c(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1C(=O)[O-] ZINC000917716462 667083822 /nfs/dbraw/zinc/08/38/22/667083822.db2.gz RGZWCUZAMPZAOR-JTQLQIEISA-N -3 0 359.356 0.598 20 0 FCADRL CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1noc(CCC(=O)[O-])n1 ZINC000738167414 667906241 /nfs/dbraw/zinc/90/62/41/667906241.db2.gz BFXGEPAPKVWIFM-UHFFFAOYSA-N -2 0 369.355 0.815 20 0 FCADRL O=C(c1cccc(Br)c1[O-])N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000738265761 667910437 /nfs/dbraw/zinc/91/04/37/667910437.db2.gz CTIVCDULOODUAY-SECBINFHSA-N -2 0 354.164 0.882 20 0 FCADRL O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)[N-]O[C@@H]1CCCCO1 ZINC000773895738 668111030 /nfs/dbraw/zinc/11/10/30/668111030.db2.gz WMUIYLPMFQMYJI-GFCCVEGCSA-N -2 0 350.343 0.818 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc2[n-]c1=S ZINC000769745504 668151249 /nfs/dbraw/zinc/15/12/49/668151249.db2.gz JWHLACLCDDESFA-OAHLLOKOSA-N -2 0 351.384 0.271 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1C(=O)[O-] ZINC000774623376 668163058 /nfs/dbraw/zinc/16/30/58/668163058.db2.gz ZLJRXLUNZNDLOB-UHFFFAOYSA-N -3 0 361.282 0.896 20 0 FCADRL Cc1c(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)cnn1-c1ccccn1 ZINC000776425591 668260771 /nfs/dbraw/zinc/26/07/71/668260771.db2.gz CFBYYWZHKPCNDJ-UHFFFAOYSA-N -2 0 362.371 0.808 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])ccc1F ZINC000776437493 668261945 /nfs/dbraw/zinc/26/19/45/668261945.db2.gz KLZOFBWIDWWHEN-JTQLQIEISA-N -2 0 363.319 0.209 20 0 FCADRL C[C@](CNS(=O)(=O)c1cccc2c1COC2=O)(CC(=O)[O-])C(=O)[O-] ZINC000776584757 668274454 /nfs/dbraw/zinc/27/44/54/668274454.db2.gz NBUXEELCCYPFAA-CQSZACIVSA-N -2 0 357.340 0.201 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccc3nonc32)C[C@H]1C(=O)[O-] ZINC000776719520 668290342 /nfs/dbraw/zinc/29/03/42/668290342.db2.gz XIIBGWAEAUPETH-HTQZYQBOSA-N -2 0 355.328 0.019 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000788179734 668819805 /nfs/dbraw/zinc/81/98/05/668819805.db2.gz JBPQFKBISMRJGH-VIFPVBQESA-N -2 0 359.370 0.536 20 0 FCADRL Cn1nc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1C(=O)[O-] ZINC000790004965 668869279 /nfs/dbraw/zinc/86/92/79/668869279.db2.gz HOZVVKLAONMEAA-UHFFFAOYSA-N -2 0 350.356 0.205 20 0 FCADRL Nc1nc(Cl)cc(=NNS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])[nH]1 ZINC000790397058 668876161 /nfs/dbraw/zinc/87/61/61/668876161.db2.gz HUMMAJSASRMNTO-UHFFFAOYSA-N -2 0 359.751 0.421 20 0 FCADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)c1 ZINC000820551404 669102927 /nfs/dbraw/zinc/10/29/27/669102927.db2.gz WOPKEJVBGSBFKA-DMZKTXOQSA-N -2 0 361.441 0.428 20 0 FCADRL CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(C(=O)[O-])n(C)n3)ccc21 ZINC000821089349 669155766 /nfs/dbraw/zinc/15/57/66/669155766.db2.gz GJRHTFGXCVCZNH-UHFFFAOYSA-N -2 0 364.383 0.828 20 0 FCADRL Cn1c(Cl)ncc1S(=O)(=O)[N-]c1ccc(-n2nn[n-]c2=O)cc1 ZINC000799926320 669324390 /nfs/dbraw/zinc/32/43/90/669324390.db2.gz LTQHGMPGGCELPW-UHFFFAOYSA-N -2 0 355.767 0.556 20 0 FCADRL Cc1nc(Cl)ccc1S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000806637099 669424808 /nfs/dbraw/zinc/42/48/08/669424808.db2.gz XOFCWGYNTUNVLX-GFCCVEGCSA-N -2 0 350.780 0.887 20 0 FCADRL O=C([N-]O[C@H]1CCCCO1)[C@H]1CC[C@@H](C(=O)[N-]O[C@@H]2CCCCO2)O1 ZINC000825026870 669432552 /nfs/dbraw/zinc/43/25/52/669432552.db2.gz OSKCDINYICETBY-LVEBTZEWSA-N -2 0 358.391 0.683 20 0 FCADRL O=C([O-])c1cccc(OS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c1 ZINC000833333276 669933409 /nfs/dbraw/zinc/93/34/09/669933409.db2.gz LTVKBXGXZQLBLP-UHFFFAOYSA-N -2 0 363.307 0.902 20 0 FCADRL COCCCCS(=O)(=O)[N-]C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000816022339 669936128 /nfs/dbraw/zinc/93/61/28/669936128.db2.gz RUAZGVQOZWQPQY-VIFPVBQESA-N -2 0 362.370 0.562 20 0 FCADRL Cc1onc(N)c1S(=O)(=O)[N-]C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000816069702 669938362 /nfs/dbraw/zinc/93/83/62/669938362.db2.gz SKIREZCDTBUQKP-LURJTMIESA-N -2 0 372.325 0.073 20 0 FCADRL CC(C)(O)CO[N-]C(=O)C(C)(C)OC(C)(C)C(=O)[N-]OCC(C)(C)O ZINC000834628483 669967669 /nfs/dbraw/zinc/96/76/69/669967669.db2.gz NUDCTXDRJBJWDM-UHFFFAOYSA-N -2 0 364.439 0.198 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)c(Cl)n1 ZINC000844791787 670943880 /nfs/dbraw/zinc/94/38/80/670943880.db2.gz CJCZFCMTAGLRIL-CYBMUJFWSA-N -2 0 362.791 0.984 20 0 FCADRL O=C([O-])CCN(C1CC1)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000849157409 671320146 /nfs/dbraw/zinc/32/01/46/671320146.db2.gz WXZCBRATMLKQCN-UHFFFAOYSA-N -2 0 370.383 0.129 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc(F)cn1 ZINC000851700280 671459963 /nfs/dbraw/zinc/45/99/63/671459963.db2.gz AOTOYKQQZNTLQS-PSASIEDQSA-N -2 0 363.267 0.957 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc(F)cn1 ZINC000851700283 671460008 /nfs/dbraw/zinc/46/00/08/671460008.db2.gz AOTOYKQQZNTLQS-WCBMZHEXSA-N -2 0 363.267 0.957 20 0 FCADRL O=C([O-])CCCCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851703440 671461850 /nfs/dbraw/zinc/46/18/50/671461850.db2.gz PDMPKFKMFZWTHN-GZMMTYOYSA-N -2 0 368.308 0.754 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000852954698 671533472 /nfs/dbraw/zinc/53/34/72/671533472.db2.gz PNKYLMADJNJOIW-JTQLQIEISA-N -2 0 354.325 0.830 20 0 FCADRL Cc1nccnc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852958049 671533812 /nfs/dbraw/zinc/53/38/12/671533812.db2.gz BVNWUFIIRLFWKO-SCZZXKLOSA-N -2 0 360.292 0.521 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cc1cscn1 ZINC000852958729 671534085 /nfs/dbraw/zinc/53/40/85/671534085.db2.gz RHYYLZBZSVHBTD-PSASIEDQSA-N -2 0 365.333 0.808 20 0 FCADRL O=C([O-])C[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000853061879 671535947 /nfs/dbraw/zinc/53/59/47/671535947.db2.gz HDNMEZZITYCNRH-LBPRGKRZSA-N -2 0 369.395 0.738 20 0 FCADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F ZINC000854612176 671589674 /nfs/dbraw/zinc/58/96/74/671589674.db2.gz JFDHRBSLLVYNTI-UHFFFAOYSA-N -2 0 374.325 0.535 20 0 FCADRL CCCn1c(=O)[nH]c2cc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])ccc21 ZINC000863953509 672164269 /nfs/dbraw/zinc/16/42/69/672164269.db2.gz RAJDFCJONYDWJU-UHFFFAOYSA-N -2 0 355.372 0.822 20 0 FCADRL COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc1 ZINC000863954016 672164608 /nfs/dbraw/zinc/16/46/08/672164608.db2.gz IMMDGYHYMNKEPK-MRXNPFEDSA-N -2 0 369.395 0.920 20 0 FCADRL NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000863954230 672164858 /nfs/dbraw/zinc/16/48/58/672164858.db2.gz RYFAMSGUBSMCEO-MNOVXSKESA-N -2 0 369.399 0.161 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CCCC2)cc1C(N)=O ZINC000863954654 672165212 /nfs/dbraw/zinc/16/52/12/672165212.db2.gz IMJMWASODKFXBH-CYBMUJFWSA-N -2 0 368.411 0.790 20 0 FCADRL COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000863962153 672168940 /nfs/dbraw/zinc/16/89/40/672168940.db2.gz VIOUYFFLGOTRHV-OAHLLOKOSA-N -2 0 370.383 0.100 20 0 FCADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1C(N)=O ZINC000863962413 672169192 /nfs/dbraw/zinc/16/91/92/672169192.db2.gz KMJNBNHEKHFVAQ-OAHLLOKOSA-N -2 0 354.384 0.232 20 0 FCADRL Cc1cc(C(=O)[O-])cc(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)c1 ZINC000863962378 672169200 /nfs/dbraw/zinc/16/92/00/672169200.db2.gz JIDNTVYHLZZVKQ-UHFFFAOYSA-N -2 0 365.367 0.791 20 0 FCADRL O=C([O-])CCC(=O)[N-]S(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC000863962813 672169505 /nfs/dbraw/zinc/16/95/05/672169505.db2.gz YMVWJMBDPDGRBS-UHFFFAOYSA-N -2 0 358.372 0.224 20 0 FCADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000863963589 672169792 /nfs/dbraw/zinc/16/97/92/672169792.db2.gz BKMGVLUHYGTIRV-KOLCDFICSA-N -2 0 359.404 0.396 20 0 FCADRL Cn1c(=O)sc2cc(S(=O)(=O)[N-]C(=O)C3(C(=O)[O-])CCC3)ccc21 ZINC000863966266 672171384 /nfs/dbraw/zinc/17/13/84/672171384.db2.gz USFDLEQQSMFBDF-UHFFFAOYSA-N -2 0 370.408 0.660 20 0 FCADRL CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc(Br)c1[O-] ZINC000800552645 675678582 /nfs/dbraw/zinc/67/85/82/675678582.db2.gz AXAWRRRQKVKDTO-UHFFFAOYSA-N -2 0 365.205 0.350 20 0 FCADRL O=C([O-])CCCNC(=O)c1cnc(I)c([O-])c1 ZINC000901437009 675790182 /nfs/dbraw/zinc/79/01/82/675790182.db2.gz CJAKXOBYKXYPJN-UHFFFAOYSA-N -2 0 350.112 0.986 20 0 FCADRL C[C@@H](C(=O)[O-])N(C)C(=O)c1cnc(I)c([O-])c1 ZINC000901452326 675790940 /nfs/dbraw/zinc/79/09/40/675790940.db2.gz WTLYFGKQSDACQK-YFKPBYRVSA-N -2 0 350.112 0.937 20 0 FCADRL Cc1cc(C(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000552371614 1193926957 /nfs/dbraw/zinc/92/69/57/1193926957.db2.gz MPTIAMGLYIVGDQ-ONGXEEELSA-N -2 0 364.402 0.632 20 0 FCADRL Cc1c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)nnn1-c1cccc2cccnc21 ZINC000816731699 1203076744 /nfs/dbraw/zinc/07/67/44/1203076744.db2.gz BFYNWGMLNFLHQP-UHFFFAOYSA-N -2 0 352.314 0.511 20 0 FCADRL CN(C)C(=O)CCNC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000047031742 1211935354 /nfs/dbraw/zinc/93/53/54/1211935354.db2.gz PCLXUIQAHOOKEK-UHFFFAOYSA-N -2 0 360.374 0.000 20 0 FCADRL COc1cc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(OC)c1OC ZINC001223630006 1225721484 /nfs/dbraw/zinc/72/14/84/1225721484.db2.gz JHXWRGQZTWMWLP-RNCFNFMXSA-N -2 0 372.326 0.292 20 0 FCADRL COC(=O)c1cc(OC)ccc1COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001223697609 1225727561 /nfs/dbraw/zinc/72/75/61/1225727561.db2.gz YYZFSJPMWZGMSP-AAEUAGOBSA-N -2 0 370.310 0.061 20 0 FCADRL COc1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(OC)c1OC ZINC001223908212 1225745062 /nfs/dbraw/zinc/74/50/62/1225745062.db2.gz QJVJDUWTPCSUMB-JOYOIKCWSA-N -2 0 372.326 0.292 20 0 FCADRL CCOC(=O)c1ccccc1CCOC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001224851950 1225795571 /nfs/dbraw/zinc/79/55/71/1225795571.db2.gz AWJWZVGHJNUWCT-GXTWGEPZSA-N -2 0 368.338 0.485 20 0 FCADRL Cc1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc(-c2ccccn2)n1 ZINC001226271782 1225838068 /nfs/dbraw/zinc/83/80/68/1225838068.db2.gz FYWYTZUNBNDULD-NOZJJQNGSA-N -2 0 361.310 0.289 20 0 FCADRL CCOC(=O)COc1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228348911 1225913151 /nfs/dbraw/zinc/91/31/51/1225913151.db2.gz IOCWQJIWIOKBJR-XPTSAGLGSA-N -2 0 370.310 0.070 20 0 FCADRL COc1cc2oc(=O)ccc2cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001229475755 1226013773 /nfs/dbraw/zinc/01/37/73/1226013773.db2.gz MEUXNLFWZBUWPP-RMLUDKJBSA-N -2 0 366.278 0.243 20 0 FCADRL COC(=O)C[C@H](C)c1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001231009232 1226094221 /nfs/dbraw/zinc/09/42/21/1226094221.db2.gz DDXGBXPQKYWLOI-ONENECBXSA-N -2 0 368.338 0.795 20 0 FCADRL COC(=O)/C=C\c1ccc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001231330383 1226103479 /nfs/dbraw/zinc/10/34/79/1226103479.db2.gz MRSVAQMXZHKTRB-JCIGZYCRSA-N -2 0 368.294 0.020 20 0 FCADRL Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001123031226 1222312720 /nfs/dbraw/zinc/31/27/20/1222312720.db2.gz NHOSNYFANMURMU-UHFFFAOYSA-N -2 0 368.397 0.844 20 0 FCADRL Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]2C)c1[O-] ZINC000993904707 1250057033 /nfs/dbraw/zinc/05/70/33/1250057033.db2.gz HLIVGGZVGJGYKX-GMSGAONNSA-N -2 0 362.390 0.299 20 0 FCADRL NC(=O)c1cc2ccccc2cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001233569908 1259552080 /nfs/dbraw/zinc/55/20/80/1259552080.db2.gz QDXJWOJURVOKDB-RISCZKNCSA-N -2 0 361.306 0.381 20 0 FCADRL COc1cc2[nH]nc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2cc1OC ZINC001233619314 1259552418 /nfs/dbraw/zinc/55/24/18/1259552418.db2.gz VVLYFADRANEMQG-JVXZTZIISA-N -2 0 368.298 0.022 20 0 FCADRL CC(C)C(=O)N(C)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001234835531 1259564881 /nfs/dbraw/zinc/56/48/81/1259564881.db2.gz BTZYTVAUGIBSJZ-TZMCWYRMSA-N -2 0 367.354 0.747 20 0 FCADRL O=C1[N-]OC[C@H]1NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC001260331911 1260062936 /nfs/dbraw/zinc/06/29/36/1260062936.db2.gz YLXLPWYSPXDFBX-SSDOTTSWSA-N -2 0 357.132 0.436 20 0 FCADRL C[C@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)[C@H]1C[C@@H](C(=O)[O-])C1(C)C ZINC001552398029 1268458356 /nfs/dbraw/zinc/45/83/56/1268458356.db2.gz HOHHOVKHCOIHIO-PZISXKGQSA-N -2 0 354.403 0.864 20 0 FCADRL C[C@]1(C2CC2)COCCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001575752386 1272416194 /nfs/dbraw/zinc/41/61/94/1272416194.db2.gz GPHHVSBZRZOYSY-MRXNPFEDSA-N -2 0 356.390 0.616 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC001603187699 1287325215 /nfs/dbraw/zinc/32/52/15/1287325215.db2.gz IZVLSFBRPOUMCG-YUMQZZPRSA-N -2 0 355.372 0.448 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)OC(C)(C)C ZINC001603187537 1287325264 /nfs/dbraw/zinc/32/52/64/1287325264.db2.gz IIBCOCFKQVODOL-RKDXNWHRSA-N -2 0 351.421 0.910 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(F)cc2nccnc21 ZINC001603186810 1287323727 /nfs/dbraw/zinc/32/37/27/1287323727.db2.gz BRJIMOOMWIKHJY-SFYZADRCSA-N -2 0 355.347 0.938 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(-n2ccnn2)c1 ZINC001603186819 1287324905 /nfs/dbraw/zinc/32/49/05/1287324905.db2.gz BWQPQTHPPSJIFK-ZJUUUORDSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1c[nH]c(Br)c1 ZINC001603187710 1287325482 /nfs/dbraw/zinc/32/54/82/1287325482.db2.gz JFPDHKIWVYXWGJ-RITPCOANSA-N -2 0 353.194 0.946 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC001603189689 1287326386 /nfs/dbraw/zinc/32/63/86/1287326386.db2.gz SLUZEMCYFYFIKY-BIIVOSGPSA-N -2 0 374.337 0.095 20 0 FCADRL CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001603320386 1287355196 /nfs/dbraw/zinc/35/51/96/1287355196.db2.gz DYIFNMSGUALLAK-VIFPVBQESA-N -2 0 366.461 0.245 20 0 FCADRL CC(C)(C)N1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)CC1=O ZINC001603343328 1287358780 /nfs/dbraw/zinc/35/87/80/1287358780.db2.gz JMSAPUZYJPLJAZ-QMMMGPOBSA-N -2 0 374.440 0.898 20 0 FCADRL C[C@H](C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C1)C(=O)[O-] ZINC001603465129 1287379189 /nfs/dbraw/zinc/37/91/89/1287379189.db2.gz DNBKVRZFCLOSKB-ZJUUUORDSA-N -2 0 369.403 0.971 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O)C(=O)[O-] ZINC001603660123 1287460976 /nfs/dbraw/zinc/46/09/76/1287460976.db2.gz MWVCFVWFHORGKW-NKWVEPMBSA-N -2 0 374.337 0.000 20 0 FCADRL CC(C)=CC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1 ZINC001603706619 1287475824 /nfs/dbraw/zinc/47/58/24/1287475824.db2.gz BQTDWMYXQXRDEW-LLVKDONJSA-N -2 0 368.411 0.802 20 0 FCADRL CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1)C(=O)[O-] ZINC001603724441 1287480791 /nfs/dbraw/zinc/48/07/91/1287480791.db2.gz REJPYZGRJQTMDI-GFCCVEGCSA-N -2 0 352.343 0.562 20 0 FCADRL O=C1c2ccccc2CN1[N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001582791248 1282008363 /nfs/dbraw/zinc/00/83/63/1282008363.db2.gz WNUPFUFWYAAOPI-UHFFFAOYSA-N -2 0 357.355 0.111 20 0 FCADRL O=c1cc(CN2CCC(F)(F)[C@@H](CO)C2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582811835 1282034967 /nfs/dbraw/zinc/03/49/67/1282034967.db2.gz FIBMPSISDSZLCH-MRVPVSSYSA-N -2 0 366.332 0.065 20 0 FCADRL C[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001604255455 1287593511 /nfs/dbraw/zinc/59/35/11/1287593511.db2.gz GGVKWFWESWXPTG-MTVMDMGHSA-N -2 0 354.403 0.560 20 0 FCADRL C[C@@H](CC(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@H]1CCCO1 ZINC001589795948 1283010436 /nfs/dbraw/zinc/01/04/36/1283010436.db2.gz QLGJZWCSWKJHPB-JOYOIKCWSA-N -2 0 373.373 0.863 20 0 FCADRL CC1(C(=O)[O-])CCN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)CC1 ZINC001590071578 1283202064 /nfs/dbraw/zinc/20/20/64/1283202064.db2.gz QPEMFCQNDJBRBV-UHFFFAOYSA-N -2 0 357.417 0.804 20 0 FCADRL CC1(OCC(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCC1 ZINC001590152825 1283250417 /nfs/dbraw/zinc/25/04/17/1283250417.db2.gz NZAGNBBWMNMRBE-UHFFFAOYSA-N -2 0 359.346 0.617 20 0 FCADRL C[C@@H]1COCC[C@@H]1C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001590323649 1283466056 /nfs/dbraw/zinc/46/60/56/1283466056.db2.gz KUGOQRNNUTYWSZ-SCZZXKLOSA-N -2 0 359.346 0.331 20 0 FCADRL C[C@]1(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCCC[C@@H]1C(=O)[O-] ZINC001604592207 1287674117 /nfs/dbraw/zinc/67/41/17/1287674117.db2.gz QUFSQKUHFLJVOB-ABAIWWIYSA-N -2 0 356.400 0.803 20 0 FCADRL COCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)o1 ZINC001591456342 1284618568 /nfs/dbraw/zinc/61/85/68/1284618568.db2.gz KLHBDIHAYREJMD-UHFFFAOYSA-N -2 0 363.355 0.725 20 0 FCADRL C[C@@H]1CC[C@@](CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)(CC(=O)[O-])C1 ZINC001604699684 1287739794 /nfs/dbraw/zinc/73/97/94/1287739794.db2.gz CARMJWHRPNVZEX-ABAIWWIYSA-N -2 0 362.448 0.899 20 0 FCADRL CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)cn1 ZINC001591681742 1284825098 /nfs/dbraw/zinc/82/50/98/1284825098.db2.gz KPKYXYFCAXFTBG-UHFFFAOYSA-N -2 0 370.372 0.059 20 0 FCADRL Cc1ncsc1C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001592423453 1285354555 /nfs/dbraw/zinc/35/45/55/1285354555.db2.gz FSRKLWNEUSZGFG-UHFFFAOYSA-N -2 0 358.343 0.737 20 0 FCADRL NC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001592728285 1285639967 /nfs/dbraw/zinc/63/99/67/1285639967.db2.gz NAJUBVMWMPDOBH-UHFFFAOYSA-N -2 0 362.371 0.678 20 0 FCADRL O=C(OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1SCCS1 ZINC001593295276 1286067475 /nfs/dbraw/zinc/06/74/75/1286067475.db2.gz IFVBSKCTDVNGGJ-UHFFFAOYSA-N -2 0 365.400 0.464 20 0 FCADRL O=C([N-]Oc1cccc(-c2nn[nH]n2)c1)[C@H]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001593382189 1286102279 /nfs/dbraw/zinc/10/22/79/1286102279.db2.gz VWHXLMILUFLDLZ-RDBSUJKOSA-N -2 0 356.386 0.972 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1 ZINC001599997345 1286420278 /nfs/dbraw/zinc/42/02/78/1286420278.db2.gz UJJJCJIODGUZMJ-BLLLJJGKSA-N -2 0 369.395 0.805 20 0 FCADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N[C@H](CCO)C(=O)[O-] ZINC001600015011 1286424671 /nfs/dbraw/zinc/42/46/71/1286424671.db2.gz MDSURBMJGASEEP-SECBINFHSA-N -2 0 351.764 0.461 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c(C)n1-c1cnn(C)c1 ZINC001600096127 1286440688 /nfs/dbraw/zinc/44/06/88/1286440688.db2.gz BVSPXGPAYYNCKV-JTQLQIEISA-N -2 0 354.388 0.360 20 0 FCADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC001600123976 1286444847 /nfs/dbraw/zinc/44/48/47/1286444847.db2.gz ZPGDVQUKSRBKJK-MNOVXSKESA-N -3 0 371.367 0.489 20 0 FCADRL Cc1cc(C)c(N2C[C@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])CC2=O)c(C)c1 ZINC001600162996 1286449272 /nfs/dbraw/zinc/44/92/72/1286449272.db2.gz ZYMPCSZOTCORGE-GFCCVEGCSA-N -2 0 368.411 0.495 20 0 FCADRL Cc1cc(C)n(-c2ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc2F)n1 ZINC001600176789 1286450152 /nfs/dbraw/zinc/45/01/52/1286450152.db2.gz XTDUFALFTWQZKD-UHFFFAOYSA-N -2 0 355.347 0.772 20 0 FCADRL Cc1cc(C)n(C[C@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2)C(=O)[O-])n1 ZINC001600178843 1286451387 /nfs/dbraw/zinc/45/13/87/1286451387.db2.gz MRHCHRNLZZFEEZ-ZDUSSCGKSA-N -2 0 367.383 0.630 20 0 FCADRL Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)[N-]O[C@@H]1CCCCO1 ZINC001600290223 1286469563 /nfs/dbraw/zinc/46/95/63/1286469563.db2.gz RFHSKGCZMCJRCR-CQSZACIVSA-N -2 0 352.343 0.971 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)c2ccnc(N(C)C)c2)oc1C(=O)[O-] ZINC001600296407 1286471271 /nfs/dbraw/zinc/47/12/71/1286471271.db2.gz DRCYEARECSOJKH-UHFFFAOYSA-N -2 0 353.356 0.866 20 0 FCADRL Cc1ccc(-c2nc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cs2)n1C ZINC001600317449 1286476149 /nfs/dbraw/zinc/47/61/49/1286476149.db2.gz KZVSTTAGGNOSPC-QMMMGPOBSA-N -2 0 357.413 0.990 20 0 FCADRL Cc1ccc(-n2[n-]c(C(=O)NC[C@@H](C(=O)[O-])[C@@H]3CCOC3)cc2=O)cc1 ZINC001600321456 1286477948 /nfs/dbraw/zinc/47/79/48/1286477948.db2.gz JSLHZTKTNIGEPF-TZMCWYRMSA-N -2 0 359.382 0.941 20 0 FCADRL Cc1ccc(NC(=O)CSCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1 ZINC001600449367 1286489678 /nfs/dbraw/zinc/48/96/78/1286489678.db2.gz YOMWYCOROKPZFC-JTQLQIEISA-N -2 0 374.440 0.586 20 0 FCADRL Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cc1C(=O)[O-] ZINC001600479289 1286493388 /nfs/dbraw/zinc/49/33/88/1286493388.db2.gz RTEQKFJALIZCDV-GFCCVEGCSA-N -2 0 353.356 0.391 20 0 FCADRL Cc1cnn(C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])s2)C(=O)[O-])c1 ZINC001600636626 1286518272 /nfs/dbraw/zinc/51/82/72/1286518272.db2.gz IKMWBYWAFLXYES-QMMMGPOBSA-N -2 0 359.385 0.383 20 0 FCADRL Cc1cnn(C[C@H](NS(=O)(=O)Cc2ccccc2C(=O)[O-])C(=O)[O-])c1 ZINC001600637204 1286518443 /nfs/dbraw/zinc/51/84/43/1286518443.db2.gz YWIJUGSDFBVROG-ZDUSSCGKSA-N -2 0 367.383 0.463 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)N2CC[C@H]([C@H]3CCCO3)[C@H]2C(=O)[O-])c1C(=O)[O-] ZINC001600670607 1286522671 /nfs/dbraw/zinc/52/26/71/1286522671.db2.gz WQJBQLKXWHXNOH-KKZNHRDASA-N -2 0 373.387 0.059 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)N2CCC[C@H](C[C@@H](C)C(=O)[O-])C2)c1C(=O)[O-] ZINC001600673033 1286524106 /nfs/dbraw/zinc/52/41/06/1286524106.db2.gz SGWYEGNXBTXDET-PSASIEDQSA-N -2 0 359.404 0.928 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])sc1Br ZINC001600719604 1286532495 /nfs/dbraw/zinc/53/24/95/1286532495.db2.gz UCIVYFHDYTWGIY-YFKPBYRVSA-N -2 0 359.223 0.328 20 0 FCADRL Cc1nn(C)c2ncc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])cc12 ZINC001600775965 1286542394 /nfs/dbraw/zinc/54/23/94/1286542394.db2.gz MOHATOZVTFIGPW-IONNQARKSA-N -2 0 354.388 0.446 20 0 FCADRL Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001600790258 1286546034 /nfs/dbraw/zinc/54/60/34/1286546034.db2.gz FUSRWBHXMLOHJE-UHFFFAOYSA-N -2 0 367.368 0.311 20 0 FCADRL Cc1nnc(COCC(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)s1 ZINC001600796821 1286546760 /nfs/dbraw/zinc/54/67/60/1286546760.db2.gz YVSKIUXYQPUPRP-UHFFFAOYSA-N -2 0 361.357 0.159 20 0 FCADRL Cn1c2ccc([N-]S(=O)(=O)c3n[nH]cc3C(=O)[O-])cc2n(C)c1=O ZINC001600894351 1286563852 /nfs/dbraw/zinc/56/38/52/1286563852.db2.gz GGRZTTUKCUSHHU-UHFFFAOYSA-N -2 0 351.344 0.099 20 0 FCADRL Cn1cc(-c2ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])o2)cn1 ZINC001600923537 1286570347 /nfs/dbraw/zinc/57/03/47/1286570347.db2.gz LDNIGGYFLBXCDR-UHFFFAOYSA-N -2 0 355.372 0.851 20 0 FCADRL Cn1cc([C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)C(=O)[O-])cn1 ZINC001600938232 1286574265 /nfs/dbraw/zinc/57/42/65/1286574265.db2.gz CFXOFAVPJUPFKO-LLVKDONJSA-N -2 0 357.319 0.362 20 0 FCADRL Cn1cc(C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)C(=O)[O-])cn1 ZINC001600948671 1286577628 /nfs/dbraw/zinc/57/76/28/1286577628.db2.gz VPUFVFRISRQACN-GFCCVEGCSA-N -2 0 371.346 0.232 20 0 FCADRL Cn1cc(S(=O)(=O)N(CC(=O)[O-])Cc2ccccn2)cc1C(=O)[O-] ZINC001600967298 1286584017 /nfs/dbraw/zinc/58/40/17/1286584017.db2.gz KGNUSCWVDCIKEC-UHFFFAOYSA-N -2 0 353.356 0.394 20 0 FCADRL Cn1cnc(-c2cccc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)c2)n1 ZINC001600986816 1286589696 /nfs/dbraw/zinc/58/96/96/1286589696.db2.gz DSWMWXANWFAQAR-UHFFFAOYSA-N -2 0 362.371 0.564 20 0 FCADRL Cn1[n-]c(C(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])cc1=O ZINC001600999406 1286594583 /nfs/dbraw/zinc/59/45/83/1286594583.db2.gz FBDPIEFLSPCMAF-LLVKDONJSA-N -2 0 368.390 0.662 20 0 FCADRL Cn1nc([N-]S(=O)(=O)c2cc(C(F)(F)F)nn2C)cc1C(=O)[O-] ZINC001601016068 1286599367 /nfs/dbraw/zinc/59/93/67/1286599367.db2.gz QCIPNEIHAPAUAA-UHFFFAOYSA-N -2 0 353.282 0.671 20 0 FCADRL Cn1nccc1[C@H](NS(=O)(=O)Cc1ccccc1C(=O)[O-])C(=O)[O-] ZINC001601035262 1286612709 /nfs/dbraw/zinc/61/27/09/1286612709.db2.gz NZJDABFBJZMAMK-LBPRGKRZSA-N -2 0 353.356 0.364 20 0 FCADRL Cn1nccc1[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CCO1 ZINC001601036247 1286613605 /nfs/dbraw/zinc/61/36/05/1286613605.db2.gz FMZLDMUQDOCVCG-KWQFWETISA-N -2 0 356.360 0.305 20 0 FCADRL NC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC001601168737 1286671032 /nfs/dbraw/zinc/67/10/32/1286671032.db2.gz AWZTXJIBXXMTDB-UHFFFAOYSA-N -2 0 354.365 0.664 20 0 FCADRL NS(=O)(=O)c1cc(NC(=O)Cc2cccc(C(=O)[O-])c2)ccc1[O-] ZINC001601198238 1286692189 /nfs/dbraw/zinc/69/21/89/1286692189.db2.gz VQGMOUIPDCKCBV-UHFFFAOYSA-N -2 0 350.352 0.919 20 0 FCADRL O=C(CCOC[C@@H]1CCCO1)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001601281365 1286712072 /nfs/dbraw/zinc/71/20/72/1286712072.db2.gz PAPZUAYNECPMPJ-ZDUSSCGKSA-N -2 0 372.399 0.743 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)Cc2cn3ccccc3n2)CC1 ZINC001601372825 1286734895 /nfs/dbraw/zinc/73/48/95/1286734895.db2.gz YWHNNWLDOXCEQO-UHFFFAOYSA-N -2 0 366.399 0.034 20 0 FCADRL O=C([O-])[C@@H]1[C@H](CNC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1(F)F ZINC001601376080 1286735557 /nfs/dbraw/zinc/73/55/57/1286735557.db2.gz JNNYFOAYYPCYCC-KWQFWETISA-N -2 0 369.349 0.767 20 0 FCADRL O=C([O-])[C@@H](CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C1CCC1 ZINC001601450968 1286754395 /nfs/dbraw/zinc/75/43/95/1286754395.db2.gz ZQLUDELXTTXFAM-RWMBFGLXSA-N -2 0 352.387 0.173 20 0 FCADRL O=C([O-])[C@@H](NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1)[C@H]1CCOC1 ZINC001601679608 1286805540 /nfs/dbraw/zinc/80/55/40/1286805540.db2.gz SMFBZIHSZJOIEA-GWCFXTLKSA-N -2 0 369.395 0.571 20 0 FCADRL O=C([O-])[C@H](O)[C@@H]1CCCN(S(=O)(=O)CC2(C(=O)[O-])CCCCC2)C1 ZINC001601681922 1286807093 /nfs/dbraw/zinc/80/70/93/1286807093.db2.gz VVKJPOGBEMSFFP-VXGBXAGGSA-N -2 0 363.432 0.509 20 0 FCADRL O=C([O-])[C@H]1N(S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC12CCOCC2 ZINC001601811555 1286840131 /nfs/dbraw/zinc/84/01/31/1286840131.db2.gz YHFAMUXQBMKDPF-GRYCIOLGSA-N -2 0 361.416 0.525 20 0 FCADRL O=C([O-])[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H]2CCCC[C@@H]12 ZINC001601822325 1286842672 /nfs/dbraw/zinc/84/26/72/1286842672.db2.gz AHJHPFYVYCOIFH-QJPTWQEYSA-N -2 0 352.391 0.961 20 0 FCADRL O=C([O-])[C@@H]1Cc2ccc(O)cc2CN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001601867247 1286858879 /nfs/dbraw/zinc/85/88/79/1286858879.db2.gz VQWMKDBURRZHMJ-JTQLQIEISA-N -2 0 350.356 0.346 20 0 FCADRL O=C([O-])CCN(CCO)S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001602006673 1286895689 /nfs/dbraw/zinc/89/56/89/1286895689.db2.gz XQNKDRQHCGZGSO-UHFFFAOYSA-N -2 0 351.764 0.496 20 0 FCADRL O=C([O-])CCN1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)CC1 ZINC001602012615 1286897989 /nfs/dbraw/zinc/89/79/89/1286897989.db2.gz KNDVJIRGNXMDOI-UHFFFAOYSA-N -2 0 360.363 0.305 20 0 FCADRL O=C([O-])CCOc1ccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])cc1 ZINC001602027021 1286907383 /nfs/dbraw/zinc/90/73/83/1286907383.db2.gz BBLTUBPVTPHXMP-LLVKDONJSA-N -2 0 373.383 0.404 20 0 FCADRL O=C([O-])CCOc1ccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1 ZINC001602027022 1286907897 /nfs/dbraw/zinc/90/78/97/1286907897.db2.gz BBLTUBPVTPHXMP-NSHDSACASA-N -2 0 373.383 0.404 20 0 FCADRL O=C([O-])CNC(=O)Cc1ccc(NC(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC001602072689 1286926770 /nfs/dbraw/zinc/92/67/70/1286926770.db2.gz HYSPXTKAVUDIFX-UHFFFAOYSA-N -2 0 363.370 0.806 20 0 FCADRL O=C([O-])COc1ccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)c2ccccc12 ZINC001602088586 1286930880 /nfs/dbraw/zinc/93/08/80/1286930880.db2.gz SDGWXGMMXYSHHH-UHFFFAOYSA-N -2 0 358.310 0.945 20 0 FCADRL O=C([O-])COc1cccc(NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC001602093854 1286933248 /nfs/dbraw/zinc/93/32/48/1286933248.db2.gz QNTQQPBYFKWPCJ-NSHDSACASA-N -2 0 364.354 0.802 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N(CC(=O)[O-])Cc2ccccn2)cc1 ZINC001602130542 1286942996 /nfs/dbraw/zinc/94/29/96/1286942996.db2.gz YYSNAKCYFSOAEV-UHFFFAOYSA-N -2 0 364.379 0.984 20 0 FCADRL O=C([O-])Cc1cccc(S(=O)(=O)N[C@@H](Cc2ncccn2)C(=O)[O-])c1 ZINC001602142233 1286946825 /nfs/dbraw/zinc/94/68/25/1286946825.db2.gz RXGKHIFKTFXJNW-LBPRGKRZSA-N -2 0 365.367 0.078 20 0 FCADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)n1 ZINC001602140881 1286946986 /nfs/dbraw/zinc/94/69/86/1286946986.db2.gz RYNZSFATOZTDRR-NSHDSACASA-N -2 0 352.372 0.667 20 0 FCADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2cccnc2OCC(F)F)cn1 ZINC001602163598 1286952914 /nfs/dbraw/zinc/95/29/14/1286952914.db2.gz NHXFNJRSEGNQAM-UHFFFAOYSA-N -2 0 362.314 0.807 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccc(N3CCC3=O)c2)cn1 ZINC001602164978 1286955581 /nfs/dbraw/zinc/95/55/81/1286955581.db2.gz YMHBEKNUANTWFI-UHFFFAOYSA-N -2 0 350.356 0.505 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2noc(-c3cccs3)n2)cn1 ZINC001602164841 1286955637 /nfs/dbraw/zinc/95/56/37/1286955637.db2.gz LIRQYDRDESUBIJ-UHFFFAOYSA-N -2 0 355.357 0.880 20 0 FCADRL O=C([O-])[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@H]1c1ccccc1 ZINC001602181821 1286960572 /nfs/dbraw/zinc/96/05/72/1286960572.db2.gz LNEOCNITTVVAMQ-QWHCGFSZSA-N -2 0 360.370 0.796 20 0 FCADRL O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1c([O-])cccc1OC(F)(F)F ZINC001602192652 1286962122 /nfs/dbraw/zinc/96/21/22/1286962122.db2.gz AFUDGAFVNFMGBP-RQJHMYQMSA-N -2 0 371.289 0.499 20 0 FCADRL O=C([O-])c1c(F)cccc1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001602231872 1286973796 /nfs/dbraw/zinc/97/37/96/1286973796.db2.gz YDVRENJDIAKCRR-XLKFXECMSA-N -2 0 359.331 0.246 20 0 FCADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c1F ZINC001602263981 1286977203 /nfs/dbraw/zinc/97/72/03/1286977203.db2.gz BOSAHUHOHSXLOR-ZETCQYMHSA-N -2 0 355.727 0.291 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCc3ccccc3NC2=O)on1 ZINC001602293045 1286983854 /nfs/dbraw/zinc/98/38/54/1286983854.db2.gz FGWONSRJYQDAFJ-SNVBAGLBSA-N -2 0 351.340 0.605 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](c2ccncc2)C2(CO)CCC2)on1 ZINC001602292803 1286983937 /nfs/dbraw/zinc/98/39/37/1286983937.db2.gz HRIFOGSVKYOFRS-ZDUSSCGKSA-N -2 0 367.383 0.950 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC001602353667 1286990602 /nfs/dbraw/zinc/99/06/02/1286990602.db2.gz FPEGAIYQZBGUKP-LBPRGKRZSA-N -2 0 366.395 0.342 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)[O-])cc1 ZINC001602354665 1286990730 /nfs/dbraw/zinc/99/07/30/1286990730.db2.gz AKSSYALLACQEEG-WCQYABFASA-N -2 0 357.384 0.684 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cn1 ZINC001602401458 1286997454 /nfs/dbraw/zinc/99/74/54/1286997454.db2.gz SJHZEBQZXCXMDP-ZDUSSCGKSA-N -2 0 350.352 0.754 20 0 FCADRL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]c1cccc(N2CCOCC2)c1 ZINC001602507135 1287019412 /nfs/dbraw/zinc/01/94/12/1287019412.db2.gz NMDVHDLGLQQEHJ-UHFFFAOYSA-N -2 0 352.372 0.745 20 0 FCADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001602570454 1287028148 /nfs/dbraw/zinc/02/81/48/1287028148.db2.gz PRPRCBVWFMXOQN-MUWHJKNJSA-N -2 0 364.763 0.201 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1ncn(CC(F)(F)F)n1 ZINC001602585327 1287031880 /nfs/dbraw/zinc/03/18/80/1287031880.db2.gz QBFFWZYLHFRTLE-UHFFFAOYSA-N -2 0 357.295 0.796 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)c1cnn2cccnc12 ZINC001602599360 1287033641 /nfs/dbraw/zinc/03/36/41/1287033641.db2.gz VZRKSWNDDJNRPM-UHFFFAOYSA-N -2 0 352.353 0.608 20 0 FCADRL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001603048816 1287197005 /nfs/dbraw/zinc/19/70/05/1287197005.db2.gz SOZVXENNRSMAAB-UHFFFAOYSA-N -2 0 371.350 0.063 20 0 FCADRL CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)CC1=O ZINC001605321076 1287925644 /nfs/dbraw/zinc/92/56/44/1287925644.db2.gz BGDSHXZBAKYRTK-NSHDSACASA-N -2 0 369.399 0.416 20 0 FCADRL CCC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC)C(=O)[O-] ZINC001605360430 1287938740 /nfs/dbraw/zinc/93/87/40/1287938740.db2.gz JSEURCOBOCSMDW-LURJTMIESA-N -2 0 365.385 0.765 20 0 FCADRL Cc1cnc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)c(O)c1 ZINC001605974449 1288116287 /nfs/dbraw/zinc/11/62/87/1288116287.db2.gz ORUGQWCFRVHTMS-UHFFFAOYSA-N -2 0 357.378 0.286 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)c1ccn(C)n1 ZINC001606342001 1288264301 /nfs/dbraw/zinc/26/43/01/1288264301.db2.gz KCDPVBJQSGOKCB-NSHDSACASA-N -2 0 357.344 0.212 20 0 FCADRL COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)C23CC(C(=O)[O-])(C2)C3)cc1 ZINC001606589639 1288399149 /nfs/dbraw/zinc/39/91/49/1288399149.db2.gz FEBQQVIKRCXTAU-UHFFFAOYSA-N -2 0 367.379 0.674 20 0 FCADRL COC(=O)c1cccc(CS(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c1 ZINC001606613871 1288408510 /nfs/dbraw/zinc/40/85/10/1288408510.db2.gz BYZCAZQSTDIUHC-UHFFFAOYSA-N -2 0 354.344 0.091 20 0 FCADRL O=C(Cn1cnc(-c2nnn[n-]2)n1)C1([N-]C(=O)C(F)(F)F)CCCCC1 ZINC001606640995 1288421124 /nfs/dbraw/zinc/42/11/24/1288421124.db2.gz MLPCOWSFOQKNDP-UHFFFAOYSA-N -2 0 372.311 0.409 20 0 FCADRL COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001606644314 1288422229 /nfs/dbraw/zinc/42/22/29/1288422229.db2.gz JPBGUHYTKKZUCQ-UHFFFAOYSA-N -2 0 359.381 0.595 20 0 FCADRL CO[C@H](C[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCCC1)C(=O)[O-])C1CC1 ZINC001606668618 1288431275 /nfs/dbraw/zinc/43/12/75/1288431275.db2.gz NKPNKSMVOCYELM-VXGBXAGGSA-N -2 0 363.432 0.819 20 0 FCADRL COC1(C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])oc2C)C(=O)[O-])CCC1 ZINC001606714494 1288464380 /nfs/dbraw/zinc/46/43/80/1288464380.db2.gz LWWYEPBRCVESMZ-SECBINFHSA-N -2 0 361.372 0.977 20 0 FCADRL CO[C@H]1CN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])[C@](C)(C(=O)[O-])C1 ZINC001606770695 1288504440 /nfs/dbraw/zinc/50/44/40/1288504440.db2.gz LTESTTKPAZACGF-CLAHSXSESA-N -2 0 361.347 0.777 20 0 FCADRL COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(OC)c2)C1 ZINC001606834034 1288533759 /nfs/dbraw/zinc/53/37/59/1288533759.db2.gz HBPFXKURDUJAGW-HNNXBMFYSA-N -2 0 373.383 0.505 20 0 FCADRL COCC1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC001606834038 1288534785 /nfs/dbraw/zinc/53/47/85/1288534785.db2.gz HGLIOVINMYZKEF-UHFFFAOYSA-N -2 0 363.413 0.948 20 0 FCADRL COCC[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(=O)[O-] ZINC001606863246 1288542035 /nfs/dbraw/zinc/54/20/35/1288542035.db2.gz WXNVNDNUQDINQG-MRVPVSSYSA-N -2 0 369.754 0.945 20 0 FCADRL COCCOc1ccc(F)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-] ZINC001606912985 1288560180 /nfs/dbraw/zinc/56/01/80/1288560180.db2.gz HHHCMAVRKMFWJY-VIFPVBQESA-N -2 0 363.363 0.767 20 0 FCADRL COc1c(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cnn1-c1ccccc1 ZINC001607010033 1288588872 /nfs/dbraw/zinc/58/88/72/1288588872.db2.gz MIFWZZFRQAGHEJ-UHFFFAOYSA-N -2 0 353.356 0.415 20 0 FCADRL COc1ccc(C(=O)CCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1OC ZINC001607204010 1288684137 /nfs/dbraw/zinc/68/41/37/1288684137.db2.gz LETVHLAZEIQBCA-SECBINFHSA-N -2 0 373.383 0.586 20 0 FCADRL COc1ccc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c(Br)c1 ZINC001607206066 1288684811 /nfs/dbraw/zinc/68/48/11/1288684811.db2.gz DATCBWDBAWLYPA-UHFFFAOYSA-N -2 0 366.189 0.992 20 0 FCADRL COc1ccc(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)cc1C(=O)[O-] ZINC001607254237 1288689406 /nfs/dbraw/zinc/68/94/06/1288689406.db2.gz PTKPPJIVHIXRGB-NSHDSACASA-N -2 0 352.343 0.094 20 0 FCADRL COc1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c(C(=O)[O-])c1 ZINC001607270068 1288691529 /nfs/dbraw/zinc/69/15/29/1288691529.db2.gz FBZZKOVUDYNVIL-MWLCHTKSSA-N -2 0 364.354 0.901 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])cc1C(=O)[O-] ZINC001607286304 1288694267 /nfs/dbraw/zinc/69/42/67/1288694267.db2.gz YZCOZXWSQCYPLT-MRVPVSSYSA-N -2 0 353.299 0.780 20 0 FCADRL COc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCCC2)cc1CC(=O)[O-] ZINC001607287476 1288695221 /nfs/dbraw/zinc/69/52/21/1288695221.db2.gz QNIFMBZTIFHVAN-UHFFFAOYSA-N -2 0 357.384 0.998 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])cnn1-c1ccccn1 ZINC001607509137 1288721714 /nfs/dbraw/zinc/72/17/14/1288721714.db2.gz RUTXTHKSZMVJSC-ONGXEEELSA-N -2 0 366.399 0.745 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N[C@@H](C[C@H]1CCOC1)C(=O)[O-] ZINC001607519282 1288723488 /nfs/dbraw/zinc/72/34/88/1288723488.db2.gz DMIAROQKHDWDMN-PWSUYJOCSA-N -2 0 357.384 0.851 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])ccc1-n1cnnn1 ZINC001607579990 1288727635 /nfs/dbraw/zinc/72/76/35/1288727635.db2.gz MPCKAGNAXWUYJZ-NXEZZACHSA-N -2 0 367.387 0.140 20 0 FCADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)[O-] ZINC001607598356 1288729336 /nfs/dbraw/zinc/72/93/36/1288729336.db2.gz WRZLMBSFIZVDGI-LLVKDONJSA-N -2 0 357.384 0.946 20 0 FCADRL Cc1ccc(OCC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC001607812000 1288740226 /nfs/dbraw/zinc/74/02/26/1288740226.db2.gz HEZJLQDCOTXEGC-UHFFFAOYSA-N -2 0 356.400 0.531 20 0 FCADRL Cc1cn(-c2ccc(F)cc2)nc1C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001607901470 1288745331 /nfs/dbraw/zinc/74/53/31/1288745331.db2.gz MZORVOXXHCUQFK-SECBINFHSA-N -2 0 355.347 0.853 20 0 FCADRL Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccccc2)cc1C(=O)[O-] ZINC001608121781 1288774722 /nfs/dbraw/zinc/77/47/22/1288774722.db2.gz CJPLWVZKCUGJRX-CHWSQXEVSA-N -2 0 368.367 0.188 20 0 FCADRL Cn1nnc2ccc(C(=O)[N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc21 ZINC001608167748 1288786176 /nfs/dbraw/zinc/78/61/76/1288786176.db2.gz INYRRPAKVRJRGO-UHFFFAOYSA-N -2 0 360.351 0.785 20 0 FCADRL NC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC001608233030 1288797179 /nfs/dbraw/zinc/79/71/79/1288797179.db2.gz SSPYEXVUTSWVOK-HTQZYQBOSA-N -2 0 360.413 0.543 20 0 FCADRL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001608245610 1288802283 /nfs/dbraw/zinc/80/22/83/1288802283.db2.gz OGGNALCBNARARM-MNOVXSKESA-N -2 0 354.384 0.481 20 0 FCADRL O=C([O-])CCc1nnc([N-]S(=O)(=O)c2cccc3nonc32)s1 ZINC001608742637 1288873003 /nfs/dbraw/zinc/87/30/03/1288873003.db2.gz UXIWWOOBQSHJBN-UHFFFAOYSA-N -2 0 355.357 0.892 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cs1 ZINC001608859381 1288876628 /nfs/dbraw/zinc/87/66/28/1288876628.db2.gz QVIZVLMDHVXPEG-SSDOTTSWSA-N -2 0 358.401 0.838 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c(F)cc1Cl ZINC001608859625 1288876699 /nfs/dbraw/zinc/87/66/99/1288876699.db2.gz BRNIBWGBIJYERD-ANLVUFKYSA-N -2 0 367.738 0.386 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CCc2cccc3c2OCCO3)on1 ZINC001608861521 1288877868 /nfs/dbraw/zinc/87/78/68/1288877868.db2.gz WSPNMGCOEOKLJM-UHFFFAOYSA-N -2 0 354.340 0.665 20 0 FCADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)nn1 ZINC001609039992 1288885014 /nfs/dbraw/zinc/88/50/14/1288885014.db2.gz XHLYWHIGVDFKBA-UHFFFAOYSA-N -2 0 366.330 0.999 20 0 FCADRL O=S(=O)([N-]c1n[nH]c(C2CC2)c1-c1nnn[n-]1)c1cncc(F)c1 ZINC001609595992 1289253944 /nfs/dbraw/zinc/25/39/44/1289253944.db2.gz XXTHNQGNBWNAKO-UHFFFAOYSA-N -2 0 350.339 0.802 20 0 FCADRL CC(=O)c1ccccc1NC(=C(F)C(=O)[O-])c1c([O-])[nH]c(=S)[nH]c1=O ZINC001609630585 1289268000 /nfs/dbraw/zinc/26/80/00/1289268000.db2.gz UUUVZAZZBJMWJH-SNVBAGLBSA-N -2 0 365.342 0.509 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCCNC(=O)C(C)(C)C ZINC001609638205 1289270166 /nfs/dbraw/zinc/27/01/66/1289270166.db2.gz BWMWFWVPICDGMG-UWVGGRQHSA-N -2 0 350.437 0.484 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(C)(C)C ZINC001609638822 1289270677 /nfs/dbraw/zinc/27/06/77/1289270677.db2.gz MFUMEQPSZZYXPA-AXFHLTTASA-N -2 0 362.448 0.579 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)c1cccs1 ZINC001609639436 1289270780 /nfs/dbraw/zinc/27/07/80/1289270780.db2.gz XTYRASASXBURGL-BDAKNGLRSA-N -2 0 362.429 0.423 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(OCC(F)F)n1 ZINC001609638680 1289270891 /nfs/dbraw/zinc/27/08/91/1289270891.db2.gz JLPKYLRCXVLNMO-SFYZADRCSA-N -2 0 366.342 0.894 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)CCC1CCCC1 ZINC001609639498 1289271003 /nfs/dbraw/zinc/27/10/03/1289271003.db2.gz YPPMUMSPUHNFSA-QWRGUYRKSA-N -2 0 362.448 0.628 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(-c2cncnc2)cc1F ZINC001609642293 1289271472 /nfs/dbraw/zinc/27/14/72/1289271472.db2.gz LTSNOJLAXRTQQC-MRVPVSSYSA-N -2 0 353.331 0.815 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC001609642199 1289271605 /nfs/dbraw/zinc/27/16/05/1289271605.db2.gz IBMYRHNRSJHZAD-LURJTMIESA-N -2 0 369.804 0.276 20 0 FCADRL CC(C)CN1N=C(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])CCC1=O ZINC001609699483 1289281478 /nfs/dbraw/zinc/28/14/78/1289281478.db2.gz NBCHYNQOVKCKSG-VHSXEESVSA-N -2 0 361.420 0.176 20 0 FCADRL CC(C)CS(=O)(=O)[N-]C(=O)[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C ZINC001609700595 1289282745 /nfs/dbraw/zinc/28/27/45/1289282745.db2.gz FYEDZLURJFXHRX-JTQLQIEISA-N -2 0 366.436 0.847 20 0 FCADRL C[C@@H](CNC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001609745120 1289288802 /nfs/dbraw/zinc/28/88/02/1289288802.db2.gz BWXQFVYSTWKVAG-VIFPVBQESA-N -2 0 366.436 0.704 20 0 FCADRL C[C@H](OCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1nccn1C ZINC001609800266 1289300888 /nfs/dbraw/zinc/30/08/88/1289300888.db2.gz QVEXAFVJMSFVAX-QMMMGPOBSA-N -2 0 373.412 0.763 20 0 FCADRL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC001609865896 1289316457 /nfs/dbraw/zinc/31/64/57/1289316457.db2.gz CURQBSWWDXKXLQ-SCRDCRAPSA-N -2 0 364.464 0.431 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCN1c2ccccc2O[C@@H](C)C1=O ZINC001609879787 1289324671 /nfs/dbraw/zinc/32/46/71/1289324671.db2.gz HORDTLNXAJNCFW-VHSXEESVSA-N -2 0 370.383 0.110 20 0 FCADRL CCCc1c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)[nH]c(C)c1C(=O)[O-] ZINC001609987075 1289337544 /nfs/dbraw/zinc/33/75/44/1289337544.db2.gz XVXDVVJREKBCKR-UHFFFAOYSA-N -2 0 359.404 0.170 20 0 FCADRL CCCc1noc(CCCC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])n1 ZINC001609986133 1289337904 /nfs/dbraw/zinc/33/79/04/1289337904.db2.gz JOMYZKSILMKFAA-NXEZZACHSA-N -2 0 361.420 0.900 20 0 FCADRL CCOC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])nc1C ZINC001610022894 1289350281 /nfs/dbraw/zinc/35/02/81/1289350281.db2.gz QNZIMLBYYWHFAE-PSASIEDQSA-N -2 0 372.399 0.736 20 0 FCADRL CCc1c(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cnn1-c1ccccn1 ZINC001610053668 1289358983 /nfs/dbraw/zinc/35/89/83/1289358983.db2.gz CGCRTXYYRSHXLG-SECBINFHSA-N -2 0 352.372 0.362 20 0 FCADRL CCc1cccc(OCC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001610066447 1289362296 /nfs/dbraw/zinc/36/22/96/1289362296.db2.gz UAZIYQLCFHZSCO-UHFFFAOYSA-N -2 0 370.427 0.785 20 0 FCADRL CCc1nn(C)c(CC)c1CC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-] ZINC001610072419 1289363153 /nfs/dbraw/zinc/36/31/53/1289363153.db2.gz DDRKOZHZUBXVKW-VHSXEESVSA-N -2 0 359.448 0.643 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])cn1 ZINC001610142311 1289394971 /nfs/dbraw/zinc/39/49/71/1289394971.db2.gz NMGGZCNDPDLZOH-UHFFFAOYSA-N -2 0 372.790 0.782 20 0 FCADRL COC(=O)c1cnc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)cn1 ZINC001610218578 1289429574 /nfs/dbraw/zinc/42/95/74/1289429574.db2.gz JJDCJGXFEQINNP-UHFFFAOYSA-N -2 0 373.368 0.832 20 0 FCADRL CO[C@@H](C)CS(=O)(=O)[N-]c1cc(F)ccc1C(=O)N[C@@H](C)C(=O)[O-] ZINC001610225384 1289432238 /nfs/dbraw/zinc/43/22/38/1289432238.db2.gz QAUVEMQMELXBPU-IUCAKERBSA-N -2 0 362.379 0.805 20 0 FCADRL COCCCOc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])cn1 ZINC001610257144 1289440009 /nfs/dbraw/zinc/44/00/09/1289440009.db2.gz XTWSVVJKBMQDIE-GHMZBOCLSA-N -2 0 374.415 0.666 20 0 FCADRL COCCn1cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c2ccccc21 ZINC001610268566 1289446375 /nfs/dbraw/zinc/44/63/75/1289446375.db2.gz XAXSFEAXZGTIOS-SNVBAGLBSA-N -2 0 354.384 0.820 20 0 FCADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]C(=O)c1cnc(C(=O)[O-])cn1 ZINC001610275229 1289448741 /nfs/dbraw/zinc/44/87/41/1289448741.db2.gz HVYNOYGYARLPRA-UHFFFAOYSA-N -2 0 365.367 0.919 20 0 FCADRL CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)cn1 ZINC001610378582 1289475594 /nfs/dbraw/zinc/47/55/94/1289475594.db2.gz DUGOYCHEJBLFNF-UHFFFAOYSA-N -2 0 357.369 0.379 20 0 FCADRL Cc1c([C@H](NS(=O)(=O)CC2(C(=O)[O-])CCCC2)C(=O)[O-])cnn1C ZINC001610411093 1289481888 /nfs/dbraw/zinc/48/18/88/1289481888.db2.gz MJWXIXJVRIJWHB-NSHDSACASA-N -2 0 359.404 0.419 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccnn2C)cc(C)c1OCC(=O)[O-] ZINC001610436597 1289486940 /nfs/dbraw/zinc/48/69/40/1289486940.db2.gz CJTWMEGLFLXNCS-UHFFFAOYSA-N -2 0 367.383 0.619 20 0 FCADRL Cc1cc(C)n(-c2ccc(CC(=O)[N-]S(=O)(=O)CC(=O)[O-])cc2)n1 ZINC001610459123 1289489619 /nfs/dbraw/zinc/48/96/19/1289489619.db2.gz VHONARRAJUMVSX-UHFFFAOYSA-N -2 0 351.384 0.562 20 0 FCADRL Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2cnn(C)c2)c(C(=O)[O-])c1 ZINC001610512254 1289498762 /nfs/dbraw/zinc/49/87/62/1289498762.db2.gz BYUOMZZNAQGYOW-LBPRGKRZSA-N -2 0 353.356 0.531 20 0 FCADRL Cc1nc(CNS(=O)(=O)c2ccc(C(=O)[O-])nc2)sc1C(=O)[O-] ZINC001610556086 1289509669 /nfs/dbraw/zinc/50/96/69/1289509669.db2.gz PCODKVANQQUQLJ-UHFFFAOYSA-N -2 0 357.369 0.721 20 0 FCADRL Cc1nn(C)c(C)c1C[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-] ZINC001610568912 1289513085 /nfs/dbraw/zinc/51/30/85/1289513085.db2.gz ONZLNCKQRJHEMV-HOTUBEGUSA-N -2 0 359.448 0.771 20 0 FCADRL Cn1cc([C@H](NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)C(=O)[O-])cn1 ZINC001610601618 1289522325 /nfs/dbraw/zinc/52/23/25/1289522325.db2.gz JVXHAPSGXSKCEU-NSHDSACASA-N -2 0 373.774 0.876 20 0 FCADRL Cn1ncc2cc(S(=O)(=O)[N-]C(=O)c3ccc(C(=O)[O-])o3)cnc21 ZINC001610614919 1289529668 /nfs/dbraw/zinc/52/96/68/1289529668.db2.gz DETHJHPWDBIMSQ-UHFFFAOYSA-N -2 0 350.312 0.378 20 0 FCADRL Cn1nnc2cc(C(=O)[N-]S(=O)(=O)Cc3cccc(C(=O)[O-])c3)ccc21 ZINC001610617188 1289530915 /nfs/dbraw/zinc/53/09/15/1289530915.db2.gz PWEXEVPUEVDQGF-UHFFFAOYSA-N -2 0 374.378 0.926 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)/C=C/c2cncc(F)c2)CC1 ZINC001610652688 1289542888 /nfs/dbraw/zinc/54/28/88/1289542888.db2.gz YWRZCLVPPPDCIB-OWOJBTEDSA-N -2 0 357.363 0.392 20 0 FCADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C(=O)CCc2cnccn2)c1F ZINC001610660745 1289545122 /nfs/dbraw/zinc/54/51/22/1289545122.db2.gz IJGIVFYILVBGTB-UHFFFAOYSA-N -2 0 371.321 0.891 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)CC2(C(=O)[O-])CCCC2)C1 ZINC001610753015 1289578730 /nfs/dbraw/zinc/57/87/30/1289578730.db2.gz KUFHYRAWLXALQY-CQSZACIVSA-N -3 0 363.388 0.213 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccnc(OCC(F)F)c1 ZINC001610771762 1289586108 /nfs/dbraw/zinc/58/61/08/1289586108.db2.gz YFKAUCLHYKAXLJ-UHFFFAOYSA-N -2 0 352.315 0.650 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)/C=C/c1ccc(Br)o1 ZINC001610775255 1289587233 /nfs/dbraw/zinc/58/72/33/1289587233.db2.gz LTLQGCHZJUZERA-DUXPYHPUSA-N -2 0 352.162 0.976 20 0 FCADRL O=C([O-])CN(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C1CC1 ZINC001610779770 1289588666 /nfs/dbraw/zinc/58/86/66/1289588666.db2.gz JCVFUQYFSRXANW-UHFFFAOYSA-N -2 0 368.411 0.866 20 0 FCADRL O=C([O-])COCCNS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001610785867 1289592182 /nfs/dbraw/zinc/59/21/82/1289592182.db2.gz ZUZLOMZEGFPDST-UHFFFAOYSA-N -2 0 371.289 0.783 20 0 FCADRL O=C([O-])COc1ccc(S(=O)(=O)N[C@@H](CC2CC2)C(=O)[O-])cc1F ZINC001610788125 1289593347 /nfs/dbraw/zinc/59/33/47/1289593347.db2.gz HGXXTXGRRDDQKZ-NSHDSACASA-N -2 0 361.347 0.821 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)NC[C@@H](F)C(=O)[O-])ccc1Br ZINC001610816862 1289600913 /nfs/dbraw/zinc/60/09/13/1289600913.db2.gz RIQFVCZXKMHVNI-MRVPVSSYSA-N -2 0 370.152 0.848 20 0 FCADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2Cn2cncn2)nn1 ZINC001610836579 1289604242 /nfs/dbraw/zinc/60/42/42/1289604242.db2.gz QUEYCWBQDPGZFC-UHFFFAOYSA-N -2 0 360.355 0.615 20 0 FCADRL O=C([O-])c1cnc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cn1 ZINC001610886892 1289618181 /nfs/dbraw/zinc/61/81/81/1289618181.db2.gz JEWJNSKYLNFQID-UHFFFAOYSA-N -2 0 350.312 0.307 20 0 FCADRL Cc1cc(C(=O)NCc2nnn[n-]2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000747388855 836239339 /nfs/dbraw/zinc/23/93/39/836239339.db2.gz FXEJUTOSCYZXTC-UHFFFAOYSA-N -2 0 364.309 0.700 20 0 FCADRL CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCCOP(=O)([O-])[O-] ZINC001146291327 849555633 /nfs/dbraw/zinc/55/56/33/849555633.db2.gz JYCIFPCDYCHRSS-QMMMGPOBSA-N -2 0 356.337 0.522 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cc(Br)cn2ccnc12 ZINC001151656082 849691405 /nfs/dbraw/zinc/69/14/05/849691405.db2.gz CAFYUQLSCKGXNX-UHFFFAOYSA-N -2 0 364.092 0.936 20 0 FCADRL N=C(NC(=O)c1cc(=O)c2cccc(O)c2[n-]1)SCCS(=O)(=O)[O-] ZINC001152680631 849719355 /nfs/dbraw/zinc/71/93/55/849719355.db2.gz SJXRYTLPQXMNOI-UHFFFAOYSA-N -2 0 371.396 0.932 20 0 FCADRL CCOC(=O)c1cnc(NCCOP(=O)([O-])[O-])nc1C(=O)OCC ZINC001157788031 849995429 /nfs/dbraw/zinc/99/54/29/849995429.db2.gz WWYONFOVRBABOS-UHFFFAOYSA-N -2 0 363.263 0.351 20 0 FCADRL Cc1cc(=O)n(-c2ccc(NC(=N)SCCS(=O)(=O)[O-])nn2)[n-]1 ZINC001168091213 850571385 /nfs/dbraw/zinc/57/13/85/850571385.db2.gz SGFCXWJNYXSYOX-UHFFFAOYSA-N -2 0 358.405 0.557 20 0 FCADRL CON(C)C(=O)[C@@H]1CCc2cc(NCCOP(=O)([O-])[O-])ccc2O1 ZINC001168595714 850590791 /nfs/dbraw/zinc/59/07/91/850590791.db2.gz LTRMMJOGEJSQJW-ZDUSSCGKSA-N -2 0 360.303 0.921 20 0 FCADRL COc1ccc(CCC(=O)NCCOP(=O)([O-])[O-])c(OC)c1OC ZINC001182197795 851163654 /nfs/dbraw/zinc/16/36/54/851163654.db2.gz KYEJCPWNYUBETN-UHFFFAOYSA-N -2 0 363.303 0.871 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])[C@@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC001182682792 851191605 /nfs/dbraw/zinc/19/16/05/851191605.db2.gz BTTJTCKZFGKUQV-LBPRGKRZSA-N -2 0 360.278 0.656 20 0 FCADRL COc1nc(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc(=O)[n-]1 ZINC001185272092 851347788 /nfs/dbraw/zinc/34/77/88/851347788.db2.gz XQMUPIBMMWHQDN-UHFFFAOYSA-N -2 0 355.328 0.698 20 0 FCADRL COc1ccc(S(=O)(=O)NCC[N-]C(=O)C(F)(F)F)cc1C(=O)[O-] ZINC001185322824 851351303 /nfs/dbraw/zinc/35/13/03/851351303.db2.gz HBRDLXJMINIHKW-UHFFFAOYSA-N -2 0 370.305 0.350 20 0 FCADRL O=P([O-])([O-])OCCNS(=O)(=O)c1cncc(Br)c1 ZINC001186428283 851432608 /nfs/dbraw/zinc/43/26/08/851432608.db2.gz NNIBLUZWGRTUTI-UHFFFAOYSA-N -2 0 361.110 0.232 20 0 FCADRL NC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188279590 851664331 /nfs/dbraw/zinc/66/43/31/851664331.db2.gz JERNEJNJYHWWEE-UHFFFAOYSA-N -2 0 356.747 0.728 20 0 FCADRL CN=c1c(N)cc(Cl)nn1C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189870282 851832841 /nfs/dbraw/zinc/83/28/41/851832841.db2.gz DLHQBYKJYVMBBV-UHFFFAOYSA-N -2 0 358.678 0.809 20 0 FCADRL CCOC(=O)CC1(NC(=O)c2ccccc2OP(=O)([O-])[O-])COC1 ZINC001189899376 851839605 /nfs/dbraw/zinc/83/96/05/851839605.db2.gz AKIKVKFWGZNZIS-UHFFFAOYSA-N -2 0 359.271 0.610 20 0 FCADRL Cc1noc(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)c1C(N)=O ZINC001189914609 851842396 /nfs/dbraw/zinc/84/23/96/851842396.db2.gz LICNBVCPFARYHL-UHFFFAOYSA-N -2 0 369.311 0.279 20 0 FCADRL C[C@@H]1CC[C@@H](CO)CN1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189923765 851843161 /nfs/dbraw/zinc/84/31/61/851843161.db2.gz OSMHRUJNRKFFBW-NXEZZACHSA-N -2 0 357.384 0.865 20 0 FCADRL C[NH+](C)C[C@H]1COCCN1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189923962 851844322 /nfs/dbraw/zinc/84/43/22/851844322.db2.gz GOSHDNVVFMYWPH-LBPRGKRZSA-N -2 0 372.399 0.034 20 0 FCADRL Cn1cc2c(n1)CCN(C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1)C2 ZINC001189924023 851844456 /nfs/dbraw/zinc/84/44/56/851844456.db2.gz SMICTGKZSHVKOD-UHFFFAOYSA-N -2 0 365.367 0.564 20 0 FCADRL O=C([O-])c1cc(C(=O)N2CCC(=O)C(F)(F)C2)cc(S(=O)(=O)[O-])c1 ZINC001189924896 851844537 /nfs/dbraw/zinc/84/45/37/851844537.db2.gz UWWLHBXXZGBEFU-UHFFFAOYSA-N -2 0 363.294 0.682 20 0 FCADRL COc1ccc(CNC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)nn1 ZINC001189933362 851845260 /nfs/dbraw/zinc/84/52/60/851845260.db2.gz INIVMZCXXJKXRK-UHFFFAOYSA-N -2 0 367.339 0.360 20 0 FCADRL O=C([O-])c1cc(C(=O)NCC(=O)NC2CCCC2)cc(S(=O)(=O)[O-])c1 ZINC001189932438 851845772 /nfs/dbraw/zinc/84/57/72/851845772.db2.gz BWHZRLLYKXQIFF-UHFFFAOYSA-N -2 0 370.383 0.420 20 0 FCADRL CC(=O)NC[C@H](C)CNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189942194 851846859 /nfs/dbraw/zinc/84/68/59/851846859.db2.gz WDQNSENYXUEEIQ-QMMMGPOBSA-N -2 0 358.372 0.134 20 0 FCADRL Cc1cc(N(C(=N)N)C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)n[nH]1 ZINC001189942407 851847528 /nfs/dbraw/zinc/84/75/28/851847528.db2.gz ZCJCYKREOVWYHK-UHFFFAOYSA-N -2 0 367.343 0.203 20 0 FCADRL NC(=O)c1[nH]nc2c1CN(C(=O)c1ccccc1OP(=O)([O-])[O-])CC2 ZINC001278367178 862307643 /nfs/dbraw/zinc/30/76/43/862307643.db2.gz WSFIFLCXUFHZRM-UHFFFAOYSA-N -2 0 366.270 0.179 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)n2ncnc2n1 ZINC001192683796 852275243 /nfs/dbraw/zinc/27/52/43/852275243.db2.gz UOIBJDGCIYVNMD-UHFFFAOYSA-N -2 0 363.355 0.697 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)NCCOP(=O)([O-])[O-])c(Cl)c1 ZINC001193371184 852415823 /nfs/dbraw/zinc/41/58/23/852415823.db2.gz MVOXRKUBVLHDMW-UHFFFAOYSA-N -2 0 372.723 0.686 20 0 FCADRL NC(=O)c1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195194060 852722652 /nfs/dbraw/zinc/72/26/52/852722652.db2.gz ADXIUMCNVUYSHO-UHFFFAOYSA-N -2 0 357.294 0.958 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cn(Cc2c(F)cccc2F)nn1 ZINC001195386494 852754722 /nfs/dbraw/zinc/75/47/22/852754722.db2.gz CJZNBXXSXUPPRK-UHFFFAOYSA-N -2 0 362.229 0.444 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1nc(C2CC2)ncc1Br ZINC001195981152 852859664 /nfs/dbraw/zinc/85/96/64/852859664.db2.gz PCZGGMYCPAFFEP-UHFFFAOYSA-N -2 0 366.108 0.956 20 0 FCADRL COc1ccc([N-]S(=O)(=O)c2cnc(C)n2C)c(S(=O)(=O)[O-])c1 ZINC001198400932 853264176 /nfs/dbraw/zinc/26/41/76/853264176.db2.gz VNEVMAOVDACTEC-UHFFFAOYSA-N -2 0 361.401 0.785 20 0 FCADRL COc1ccccc1-c1ncc(C(=O)NCCOP(=O)([O-])[O-])cn1 ZINC001199326884 853408172 /nfs/dbraw/zinc/40/81/72/853408172.db2.gz KPOAHFJQMHJDQF-UHFFFAOYSA-N -2 0 353.271 0.991 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cncc(OCC2CCOCC2)c1 ZINC001199532378 853439946 /nfs/dbraw/zinc/43/99/46/853439946.db2.gz FHRIUUVMEPIIIA-UHFFFAOYSA-N -2 0 360.303 0.726 20 0 FCADRL COC(=O)c1ccc(CS(=O)(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001201228129 853520183 /nfs/dbraw/zinc/52/01/83/853520183.db2.gz VZUOCMSNYYWMOG-UHFFFAOYSA-N -2 0 353.289 0.002 20 0 FCADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(Nc2cncc(CO)c2)c1 ZINC001211106737 854158508 /nfs/dbraw/zinc/15/85/08/854158508.db2.gz SFQGUULBOSRXSB-UHFFFAOYSA-N -2 0 360.369 0.811 20 0 FCADRL Cc1nc(-c2ccc(COC(=O)[C@H](O)COP(=O)([O-])[O-])cc2)no1 ZINC001223461262 856918812 /nfs/dbraw/zinc/91/88/12/856918812.db2.gz QCSKAMDOOKWITP-LLVKDONJSA-N -2 0 358.243 0.558 20 0 FCADRL COC(=O)[C@H](OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1ccc(Cl)cc1 ZINC001223577973 856927601 /nfs/dbraw/zinc/92/76/01/856927601.db2.gz XPCIDISVXZEUOU-YUSALJHKSA-N -2 0 374.729 0.634 20 0 FCADRL COc1ccc(COC(=O)[C@H](O)COP(=O)([O-])[O-])c(OC)c1OC ZINC001223907838 856950535 /nfs/dbraw/zinc/95/05/35/856950535.db2.gz NFRGSPLTOAULMY-SECBINFHSA-N -2 0 366.259 0.226 20 0 FCADRL CCOC(=O)CCCCCCCOC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001224371251 856981519 /nfs/dbraw/zinc/98/15/19/856981519.db2.gz FQWQJRLKOXFPMC-FZMZJTMJSA-N -2 0 362.375 0.970 20 0 FCADRL COC(=O)c1ccc(Cl)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225382649 857038606 /nfs/dbraw/zinc/03/86/06/857038606.db2.gz QDRLHJRNXGPTCA-GZMMTYOYSA-N -2 0 360.702 0.568 20 0 FCADRL COc1cccc(Br)c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001225802557 857061297 /nfs/dbraw/zinc/06/12/97/857061297.db2.gz RZBYNLQOVVUYRI-SSDOTTSWSA-N -2 0 371.076 0.833 20 0 FCADRL CC(C)OC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001226072601 857083535 /nfs/dbraw/zinc/08/35/35/857083535.db2.gz JDGJEDPFXWANRK-DGCLKSJQSA-N -2 0 354.311 0.694 20 0 FCADRL Nc1nc(-c2cccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2)cs1 ZINC001226109405 857085608 /nfs/dbraw/zinc/08/56/08/857085608.db2.gz FUJASHIKLZAGKK-JOYOIKCWSA-N -2 0 366.351 0.834 20 0 FCADRL Cc1ccc2oc(=O)cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2c1 ZINC001226161789 857086595 /nfs/dbraw/zinc/08/65/95/857086595.db2.gz MVTKDMQGWVWJDK-XPTSAGLGSA-N -2 0 350.279 0.543 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1nc(Cl)nc2cc(F)ccc21)[C@H](O)C(=O)[O-] ZINC001226375737 857099443 /nfs/dbraw/zinc/09/94/43/857099443.db2.gz WUSLSUBPYHSMOX-XCBNKYQSSA-N -2 0 372.692 0.864 20 0 FCADRL Cc1nc2ccc(Cl)cc2c(OC(=O)[C@H](O)COP(=O)([O-])[O-])n1 ZINC001226683773 857120778 /nfs/dbraw/zinc/12/07/78/857120778.db2.gz UZQIOUOQLXIQRC-SNVBAGLBSA-N -2 0 362.662 0.967 20 0 FCADRL Cc1nc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(C(F)(F)F)n1 ZINC001226712757 857121411 /nfs/dbraw/zinc/12/14/11/857121411.db2.gz VJRUXZQJKKQSEN-ANLVUFKYSA-N -2 0 352.221 0.246 20 0 FCADRL COC(=O)c1cccc(Cl)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001226984382 857135887 /nfs/dbraw/zinc/13/58/87/857135887.db2.gz ZETSUIRNSKZBEE-XVKPBYJWSA-N -2 0 360.702 0.568 20 0 FCADRL COC(=O)c1ccc(Cl)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001227157335 857146780 /nfs/dbraw/zinc/14/67/80/857146780.db2.gz TXUOHANCHJOCFD-HQJQHLMTSA-N -2 0 360.702 0.568 20 0 FCADRL COC(=O)c1ccc(Cl)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001227157336 857147003 /nfs/dbraw/zinc/14/70/03/857147003.db2.gz TXUOHANCHJOCFD-RDDDGLTNSA-N -2 0 360.702 0.568 20 0 FCADRL CC(=O)Nc1ccc(C(C)=O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1 ZINC001227182484 857147785 /nfs/dbraw/zinc/14/77/85/857147785.db2.gz HFDVQCHYORVEIH-LLVKDONJSA-N -2 0 361.243 0.223 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ncc(Br)cc1F)[C@H](O)C(=O)[O-] ZINC001227402094 857158452 /nfs/dbraw/zinc/15/84/52/857158452.db2.gz OUKPLPUSBYJJRP-XRGYYRRGSA-N -2 0 366.095 0.425 20 0 FCADRL COc1ccc2c(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc(=O)oc2c1 ZINC001227528693 857163542 /nfs/dbraw/zinc/16/35/42/857163542.db2.gz WGQPXYYLHDZQBG-SECBINFHSA-N -2 0 360.211 0.177 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1nccc2cc(Cl)ncc21)[C@H](O)C(=O)[O-] ZINC001227855605 857179940 /nfs/dbraw/zinc/17/99/40/857179940.db2.gz QVMVFBMIWVTGOG-CPCISQLKSA-N -2 0 354.702 0.725 20 0 FCADRL Cc1ccnc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1Br ZINC001227903909 857183235 /nfs/dbraw/zinc/18/32/35/857183235.db2.gz HZNAMUFIDGTGIH-HZGVNTEJSA-N -2 0 362.132 0.594 20 0 FCADRL COC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1Cl ZINC001227937215 857185452 /nfs/dbraw/zinc/18/54/52/857185452.db2.gz FXODSIWTCYXISC-KWQFWETISA-N -2 0 360.702 0.568 20 0 FCADRL CCC(=O)c1c(O)cc(O)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228554370 857215514 /nfs/dbraw/zinc/21/55/14/857215514.db2.gz HXWYEFMDZRJIHH-UHLUBPPHSA-N -2 0 356.283 0.132 20 0 FCADRL CCOC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc1C ZINC001228808855 857231090 /nfs/dbraw/zinc/23/10/90/857231090.db2.gz DIIJKSJWBRHTTE-JOYOIKCWSA-N -2 0 355.299 0.009 20 0 FCADRL Cc1nc2c(c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1)CSCC2 ZINC001228824799 857231209 /nfs/dbraw/zinc/23/12/09/857231209.db2.gz STUYJCCLWLUEJO-HQJQHLMTSA-N -2 0 356.356 0.016 20 0 FCADRL Cc1nc2c(c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1)CSCC2 ZINC001228824802 857231245 /nfs/dbraw/zinc/23/12/45/857231245.db2.gz STUYJCCLWLUEJO-RDDDGLTNSA-N -2 0 356.356 0.016 20 0 FCADRL O=C(Oc1[n-]c(=O)nc2ccc(Cl)cc21)[C@H](O)COP(=O)([O-])[O-] ZINC001228911103 857238021 /nfs/dbraw/zinc/23/80/21/857238021.db2.gz AJKATVQKPJEAHA-MRVPVSSYSA-N -3 0 364.634 0.364 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cccc(O)c1Br)[C@H](O)C(=O)[O-] ZINC001229140306 857253325 /nfs/dbraw/zinc/25/33/25/857253325.db2.gz AFFNVCLWBVTGJQ-RRAGMBSWSA-N -2 0 363.116 0.597 20 0 FCADRL Cc1cc(=O)oc2ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc12 ZINC001229196685 857257179 /nfs/dbraw/zinc/25/71/79/857257179.db2.gz XYVGZUYMLGKKFQ-IINYFYTJSA-N -2 0 350.279 0.543 20 0 FCADRL Cc1ccnc(Br)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001229207709 857258893 /nfs/dbraw/zinc/25/88/93/857258893.db2.gz PJTOZAMIKQQPKI-SVRRBLITSA-N -2 0 362.132 0.594 20 0 FCADRL COC(=O)c1c(C)cc(O)c(C)c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001229332830 857265415 /nfs/dbraw/zinc/26/54/15/857265415.db2.gz KOPMRUCHRFCOTF-SECBINFHSA-N -2 0 364.243 0.171 20 0 FCADRL CCCC(=O)Nc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001229484382 857271938 /nfs/dbraw/zinc/27/19/38/857271938.db2.gz LMQAQFCKYSJGBU-FZMZJTMJSA-N -2 0 353.327 0.867 20 0 FCADRL CCOC(=O)Cc1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001229719015 857284656 /nfs/dbraw/zinc/28/46/56/857284656.db2.gz COJXCNZNFYBAFP-FZMZJTMJSA-N -2 0 354.311 0.234 20 0 FCADRL O=S(=O)([O-])c1cc(O)c(OC[C@@H]2CCCO2)c(S(=O)(=O)[O-])c1 ZINC001230143973 857307671 /nfs/dbraw/zinc/30/76/71/857307671.db2.gz KGLJGUHDUCOUSP-ZETCQYMHSA-N -2 0 354.358 0.443 20 0 FCADRL COC(=O)c1cc(C)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1C ZINC001230527987 857343740 /nfs/dbraw/zinc/34/37/40/857343740.db2.gz LJZWYJGTLQBTNE-GXFFZTMASA-N -2 0 354.311 0.532 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2cccc(Cl)c21)[C@H](O)C(=O)[O-] ZINC001230884225 857350606 /nfs/dbraw/zinc/35/06/06/857350606.db2.gz DYTVUKLQFORXAF-FWOIEVBISA-N -3 0 370.701 0.431 20 0 FCADRL CCc1cccc(C(=O)OC)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230963015 857352774 /nfs/dbraw/zinc/35/27/74/857352774.db2.gz BCOAMTZALOYWDL-PWSUYJOCSA-N -2 0 354.311 0.477 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cnc2c(ccc(F)c2F)c1)[C@@H](O)C(=O)[O-] ZINC001231154782 857356527 /nfs/dbraw/zinc/35/65/27/857356527.db2.gz UVIVHIZCRBPAFQ-ISVAXAHUSA-N -2 0 355.249 0.955 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc2c(Cl)ncnc2c1)[C@@H](O)C(=O)[O-] ZINC001231115128 857356860 /nfs/dbraw/zinc/35/68/60/857356860.db2.gz KOVQMUSYYJCLEO-LDYMZIIASA-N -2 0 354.702 0.725 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc(=O)[nH]c2ccc(F)cc21)[C@H](O)C(=O)[O-] ZINC001231391845 857360470 /nfs/dbraw/zinc/36/04/70/857360470.db2.gz KYLWWSHMSBMZAJ-SDBXPKJASA-N -2 0 353.258 0.521 20 0 FCADRL CCOC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1F ZINC001233592113 857387725 /nfs/dbraw/zinc/38/77/25/857387725.db2.gz BBQOKFMJJHFORM-SKDRFNHKSA-N -2 0 358.274 0.444 20 0 FCADRL CC(=O)N1CCc2cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc21 ZINC001233645193 857388368 /nfs/dbraw/zinc/38/83/68/857388368.db2.gz GTLLGBXVRXJRFY-FZMZJTMJSA-N -2 0 351.311 0.037 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1nc(Cl)nc2ccsc21)[C@H](O)C(=O)[O-] ZINC001233877961 857390897 /nfs/dbraw/zinc/39/08/97/857390897.db2.gz INUYFRYXEUEBEZ-FBCQKBJTSA-N -2 0 360.731 0.787 20 0 FCADRL COC(=O)c1c(F)cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1F ZINC001233913233 857391807 /nfs/dbraw/zinc/39/18/07/857391807.db2.gz MCIXDVCXGIUMBU-KGFZYKRKSA-N -2 0 362.237 0.193 20 0 FCADRL O=[N+]([O-])O[C@@H]1CO[C@@H]2[C@@H](Oc3ccc(OP(=O)([O-])[O-])cc3)CO[C@H]12 ZINC001234333758 857401050 /nfs/dbraw/zinc/40/10/50/857401050.db2.gz ASEMLBOMEBGSDP-IRCOFANPSA-N -2 0 363.215 0.280 20 0 FCADRL Cc1cc(=O)c2c(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc([O-])cc2o1 ZINC001234819194 857412012 /nfs/dbraw/zinc/41/20/12/857412012.db2.gz LVXZFVQCKUKAOR-SECBINFHSA-N -3 0 360.211 0.183 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc2c(c(Cl)c1)C(=O)CC2)[C@@H](O)C(=O)[O-] ZINC001234847178 857413873 /nfs/dbraw/zinc/41/38/73/857413873.db2.gz VPSZHJXFYOIAGN-ISVAXAHUSA-N -2 0 356.714 0.911 20 0 FCADRL CC(=O)n1ncc2cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc21 ZINC001234871713 857415008 /nfs/dbraw/zinc/41/50/08/857415008.db2.gz MFQYIMAWQRVYNF-GWCFXTLKSA-N -2 0 350.283 0.138 20 0 FCADRL COc1cc(C(C)=O)c(C)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234957013 857416758 /nfs/dbraw/zinc/41/67/58/857416758.db2.gz VUNSWVYBVOUFBJ-YGRLFVJLSA-N -2 0 354.311 0.648 20 0 FCADRL CCCNC(=S)Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001244883561 857552205 /nfs/dbraw/zinc/55/22/05/857552205.db2.gz BIZOHMPNNNYCIK-UHFFFAOYSA-N -2 0 354.431 0.876 20 0 FCADRL CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CC(F)(F)F)cc1 ZINC001253101788 857859377 /nfs/dbraw/zinc/85/93/77/857859377.db2.gz LUWPQWQEDHIQDT-UHFFFAOYSA-N -2 0 360.335 0.815 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CC(F)(F)F)c([O-])c1 ZINC001253189373 857870374 /nfs/dbraw/zinc/87/03/74/857870374.db2.gz RGFCFUBMHDBGCB-UHFFFAOYSA-N -2 0 362.351 0.947 20 0 FCADRL NC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC001255496842 858015422 /nfs/dbraw/zinc/01/54/22/858015422.db2.gz BNSMFMBGTNBKMM-UHFFFAOYSA-N -2 0 373.387 0.984 20 0 FCADRL CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cnn(C)c2)cc1 ZINC001259819890 858285544 /nfs/dbraw/zinc/28/55/44/858285544.db2.gz HGVQMZQNHTVKLT-UHFFFAOYSA-N -2 0 358.401 0.046 20 0 FCADRL COC(=O)c1nsnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260210076 858355051 /nfs/dbraw/zinc/35/50/51/858355051.db2.gz PGHBAMIBLFNRTP-UHFFFAOYSA-N -2 0 361.332 0.963 20 0 FCADRL COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260217878 858355670 /nfs/dbraw/zinc/35/56/70/858355670.db2.gz JOIAEALISIPINV-VIFPVBQESA-N -2 0 363.319 0.209 20 0 FCADRL COC(=O)c1nn(C)cc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260393389 858366534 /nfs/dbraw/zinc/36/65/34/858366534.db2.gz HVBPEJYEPMGKCV-UHFFFAOYSA-N -2 0 355.328 0.411 20 0 FCADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001261029817 858439301 /nfs/dbraw/zinc/43/93/01/858439301.db2.gz SPJSGOFIFPLDGF-UHFFFAOYSA-N -2 0 356.385 0.259 20 0 FCADRL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]N=c1[n-]ncc(N)c1Cl ZINC001332538619 873549276 /nfs/dbraw/zinc/54/92/76/873549276.db2.gz QLCVJWJVRAOKFT-MRVPVSSYSA-N -2 0 351.816 0.690 20 0 FCADRL COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000324227288 971098820 /nfs/dbraw/zinc/09/88/20/971098820.db2.gz TYFRIIRPUVDCND-UHFFFAOYSA-N -2 0 354.344 0.876 20 0 FCADRL NC(=O)CSc1ccccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000324862146 971164362 /nfs/dbraw/zinc/16/43/62/971164362.db2.gz MPIZFLWWMIZYOL-UHFFFAOYSA-N -2 0 370.412 0.346 20 0 FCADRL O=C([O-])c1cnc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)cn1 ZINC001595266084 949748884 /nfs/dbraw/zinc/74/88/84/949748884.db2.gz FDJCZJDBVWMVHX-UHFFFAOYSA-N -2 0 351.296 0.022 20 0 FCADRL O=C([O-])[C@@H]1CC(C(=O)[N-]OCCN2CCCC2=O)=NN1c1ccccc1 ZINC001594785061 953659826 /nfs/dbraw/zinc/65/98/26/953659826.db2.gz IODDCUQHLLMDDF-AWEZNQCLSA-N -2 0 360.370 0.376 20 0 FCADRL C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])[C@@H]1C(=O)[O-] ZINC001589329729 953944716 /nfs/dbraw/zinc/94/47/16/953944716.db2.gz QUQSIKPSOSLUOB-HZMBPMFUSA-N -2 0 370.427 0.968 20 0 FCADRL CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC001593913667 955999002 /nfs/dbraw/zinc/99/90/02/955999002.db2.gz UZNOBJHPCPMLFK-LLVKDONJSA-N -2 0 366.355 0.316 20 0 FCADRL CO[C@H](C(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC001593913668 955999173 /nfs/dbraw/zinc/99/91/73/955999173.db2.gz UZNOBJHPCPMLFK-NSHDSACASA-N -2 0 366.355 0.316 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CC(=O)Nc1ccccn1 ZINC001594692510 956758324 /nfs/dbraw/zinc/75/83/24/956758324.db2.gz WJWKKYBWFCKAGL-CABZTGNLSA-N -2 0 374.319 0.616 20 0 FCADRL O=C([O-])c1cc(C(=O)N[C@H](c2nnn[n-]2)c2ccc(Cl)c(F)c2)[nH]n1 ZINC001594726055 957002685 /nfs/dbraw/zinc/00/26/85/957002685.db2.gz FQSDYTGHLZBHGD-JTQLQIEISA-N -2 0 365.712 0.933 20 0 FCADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2cncc(Br)c2)cn1 ZINC000044243068 957443957 /nfs/dbraw/zinc/44/39/57/957443957.db2.gz SFQPUXRRMXAUDW-UHFFFAOYSA-N -2 0 361.177 0.926 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2S(C)(=O)=O)cc1C(=O)[O-] ZINC000390295087 972273591 /nfs/dbraw/zinc/27/35/91/972273591.db2.gz JBBYCVSNMFLBQP-UHFFFAOYSA-N -2 0 358.397 0.928 20 0 FCADRL CC(=O)NCCN(C(=O)c1cccc(-c2nc(=O)o[n-]2)c1)[C@H](C)C(=O)[O-] ZINC001588508529 958752419 /nfs/dbraw/zinc/75/24/19/958752419.db2.gz PABXOPIXLPNCMX-SECBINFHSA-N -2 0 362.342 0.081 20 0 FCADRL COc1nnc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])s1 ZINC001594162050 958905865 /nfs/dbraw/zinc/90/58/65/958905865.db2.gz WOEXLSMAJKVNHQ-XPUUQOCRSA-N -2 0 368.337 0.643 20 0 FCADRL O=C([O-])[C@@H](Cc1ccncc1)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001574546465 961947854 /nfs/dbraw/zinc/94/78/54/961947854.db2.gz BBCXEZTTYZTFMG-CYBMUJFWSA-N -2 0 369.337 0.087 20 0 FCADRL O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1nn(-c3ccc(F)cc3)cc1[O-])C2 ZINC001549305643 969797669 /nfs/dbraw/zinc/79/76/69/969797669.db2.gz KDFQHTXUJZEVAM-BTDLBPIBSA-N -2 0 361.329 0.890 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccns1 ZINC001605970228 972976234 /nfs/dbraw/zinc/97/62/34/972976234.db2.gz NRAADFVERGQQEW-XPUUQOCRSA-N -2 0 351.306 0.879 20 0 FCADRL CC[C@H](O)[C@H](C)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001603585766 973755085 /nfs/dbraw/zinc/75/50/85/973755085.db2.gz BKNVNUDMIDJSQW-XKNYDFJKSA-N -2 0 354.325 0.516 20 0 FCADRL CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001591708929 975577554 /nfs/dbraw/zinc/57/75/54/975577554.db2.gz FQEDIECCIOXDFU-LLVKDONJSA-N -2 0 359.404 0.403 20 0 FCADRL CC(C)OCCO[N-]C(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC001591726990 975692077 /nfs/dbraw/zinc/69/20/77/975692077.db2.gz QNEOODFHAKGXIG-UHFFFAOYSA-N -2 0 354.315 0.525 20 0 FCADRL C[C@@H](C[C@H]1CCCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC001592463889 978192401 /nfs/dbraw/zinc/19/24/01/978192401.db2.gz JBQOPAUODFCFFV-WCQYABFASA-N -2 0 362.448 0.993 20 0 FCADRL C[C@@H](CNC(=O)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)C(=O)[O-] ZINC001592629697 978609723 /nfs/dbraw/zinc/60/97/23/978609723.db2.gz KTJDJAVXGLRUMH-VIFPVBQESA-N -2 0 373.365 0.588 20 0 FCADRL C[C@H](CNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C(=O)[O-] ZINC001592629740 978610147 /nfs/dbraw/zinc/61/01/47/978610147.db2.gz LZMOCTSNQWENIR-SNVBAGLBSA-N -2 0 363.370 0.760 20 0 FCADRL C[C@@H](CS(=O)(=O)N1CCN(Cc2ccoc2C(=O)[O-])CC1)C(=O)[O-] ZINC001592800645 979459991 /nfs/dbraw/zinc/45/99/91/979459991.db2.gz PMXQLRSPPAJKKY-JTQLQIEISA-N -2 0 360.388 0.146 20 0 FCADRL C[C@H](O)[C@H]([N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])C(=O)OCc1ccccc1 ZINC001592817110 979519857 /nfs/dbraw/zinc/51/98/57/979519857.db2.gz WJIPMKJTDDXPBY-MDZLAQPJSA-N -2 0 359.400 0.119 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(OC)ccc2C(=O)[O-])C1=O ZINC001595371408 980850933 /nfs/dbraw/zinc/85/09/33/980850933.db2.gz CQBYCYRQWMSAFK-AWEZNQCLSA-N -2 0 371.371 0.307 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)C1=O ZINC001595371740 980854731 /nfs/dbraw/zinc/85/47/31/980854731.db2.gz MINQZDMUTMASBE-PPYMECGQSA-N -2 0 367.383 0.698 20 0 FCADRL CCCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001595523233 981346776 /nfs/dbraw/zinc/34/67/76/981346776.db2.gz CNWVLGKHYPTKPK-SNVBAGLBSA-N -2 0 358.372 0.574 20 0 FCADRL CCC[C@H](NC(=O)Cc1ccccc1)C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001595597944 981565879 /nfs/dbraw/zinc/56/58/79/981565879.db2.gz DOPVHOWZPHIUCC-ZDUSSCGKSA-N -2 0 370.427 0.435 20 0 FCADRL CCC[C@H](NC(=O)Cc1ccccc1)C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001595599043 981570155 /nfs/dbraw/zinc/57/01/55/981570155.db2.gz RZEROPIBMHIPAO-LBPRGKRZSA-N -2 0 356.400 0.045 20 0 FCADRL CCC[C@@H](O)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F)C(=O)[O-] ZINC001595608613 981612445 /nfs/dbraw/zinc/61/24/45/981612445.db2.gz KYDNHZNPSPKQLQ-SKDRFNHKSA-N -2 0 363.363 0.725 20 0 FCADRL CCC[C@@H](O)[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCCCC1)C(=O)[O-] ZINC001595609360 981620405 /nfs/dbraw/zinc/62/04/05/981620405.db2.gz UYKQOHCKKDGBAI-GHMZBOCLSA-N -2 0 351.421 0.555 20 0 FCADRL CCC[C@H](O)[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCCCC1)C(=O)[O-] ZINC001595609362 981620465 /nfs/dbraw/zinc/62/04/65/981620465.db2.gz UYKQOHCKKDGBAI-QWRGUYRKSA-N -2 0 351.421 0.555 20 0 FCADRL CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C(=O)[O-] ZINC001595609377 981620513 /nfs/dbraw/zinc/62/05/13/981620513.db2.gz VFRPBGLXVZUYLP-LDYMZIIASA-N -2 0 367.326 0.556 20 0 FCADRL CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001595986326 983230993 /nfs/dbraw/zinc/23/09/93/983230993.db2.gz MPSGTPFMLIRFSE-RYUDHWBXSA-N -2 0 370.427 0.746 20 0 FCADRL CCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC ZINC001596227206 983618328 /nfs/dbraw/zinc/61/83/28/983618328.db2.gz DKWBTIQRIQYVHJ-UHFFFAOYSA-N -2 0 351.358 0.328 20 0 FCADRL CCOC(=O)CC[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC001596613508 984576557 /nfs/dbraw/zinc/57/65/57/984576557.db2.gz GGRLQUCHKBSSLD-NSHDSACASA-N -2 0 359.356 0.460 20 0 FCADRL CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)n1 ZINC001596637954 984629739 /nfs/dbraw/zinc/62/97/39/984629739.db2.gz SMPLYRQHCZLIEC-UHFFFAOYSA-N -2 0 368.371 0.649 20 0 FCADRL CCOC(=O)N[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)CC(C)C ZINC001596657795 984702059 /nfs/dbraw/zinc/70/20/59/984702059.db2.gz NXMRZVBBPDRAIK-VIFPVBQESA-N -2 0 363.392 0.812 20 0 FCADRL CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c1 ZINC001596720427 984963231 /nfs/dbraw/zinc/96/32/31/984963231.db2.gz IDSOGSIVTIGJAI-UHFFFAOYSA-N -2 0 368.371 0.649 20 0 FCADRL C/C(=C\c1cccnc1)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001589006021 984968940 /nfs/dbraw/zinc/96/89/40/984968940.db2.gz RGMFNZTXXWAXAT-PKNBQFBNSA-N -2 0 353.400 0.643 20 0 FCADRL CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)n[n-]1 ZINC001596748488 985076950 /nfs/dbraw/zinc/07/69/50/985076950.db2.gz GIMLWLROYUUGCP-OUAUKWLOSA-N -2 0 368.390 0.817 20 0 FCADRL CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1)C(C)C ZINC001589152633 985474594 /nfs/dbraw/zinc/47/45/94/985474594.db2.gz GLHVDEUNRSXHFS-GFCCVEGCSA-N -2 0 357.388 0.318 20 0 FCADRL CC(=O)Nc1nc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cs1 ZINC001589223048 985734757 /nfs/dbraw/zinc/73/47/57/985734757.db2.gz KCIJIQLEBTWCJZ-UHFFFAOYSA-N -2 0 369.380 0.918 20 0 FCADRL CCOC[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)C(=O)[O-] ZINC001596946266 986092481 /nfs/dbraw/zinc/09/24/81/986092481.db2.gz FIPTWFXNKBNXFR-JTQLQIEISA-N -2 0 351.764 0.806 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])nnn1-c1ccccc1 ZINC001599982125 986177825 /nfs/dbraw/zinc/17/78/25/986177825.db2.gz KQWOEFSNWKVHAK-ONGXEEELSA-N -2 0 366.399 0.745 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])nnn1-c1ccccc1 ZINC001599982124 986178082 /nfs/dbraw/zinc/17/80/82/986178082.db2.gz KQWOEFSNWKVHAK-MWLCHTKSSA-N -2 0 366.399 0.745 20 0 FCADRL CCOc1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)ccc1OCC(=O)[O-] ZINC001596999693 986308911 /nfs/dbraw/zinc/30/89/11/986308911.db2.gz CJBJWWMVFNNXEP-MRXNPFEDSA-N -2 0 353.327 0.522 20 0 FCADRL C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)C(=O)NCCC(=O)[O-] ZINC001594563309 986343786 /nfs/dbraw/zinc/34/37/86/986343786.db2.gz USXYIONZTNAMDV-NSHDSACASA-N -2 0 363.370 0.013 20 0 FCADRL C[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])n1ccc2ccccc2c1=O ZINC001589422347 986664660 /nfs/dbraw/zinc/66/46/60/986664660.db2.gz DUGAAFLWJRHRIH-NSHDSACASA-N -2 0 366.395 0.873 20 0 FCADRL C[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])N(C(=O)OC(C)(C)C)C1CC1 ZINC001589424085 986687400 /nfs/dbraw/zinc/68/74/00/986687400.db2.gz RQORZGAMPOQYRR-RKDXNWHRSA-N -2 0 364.420 0.694 20 0 FCADRL C[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1cnn(C)c1 ZINC001589424384 986691429 /nfs/dbraw/zinc/69/14/29/986691429.db2.gz UVWQJPXFYJIEPQ-JTQLQIEISA-N -2 0 351.384 0.868 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CN(C)C(=O)OC(C)(C)C ZINC001589452887 986855094 /nfs/dbraw/zinc/85/50/94/986855094.db2.gz NGKFUYKUDSMQHJ-IUCAKERBSA-N -2 0 352.409 0.409 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001589454691 986884397 /nfs/dbraw/zinc/88/43/97/986884397.db2.gz PTSARYISGCJTFQ-DTWKUNHWSA-N -2 0 354.384 0.740 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc2c1CC(=O)CC2 ZINC001589454828 986885297 /nfs/dbraw/zinc/88/52/97/986885297.db2.gz RRGLSIRLASYSIV-ZJUUUORDSA-N -2 0 353.396 0.913 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC001589454981 986889316 /nfs/dbraw/zinc/88/93/16/986889316.db2.gz TXMVKUPKVXGIMT-HTQZYQBOSA-N -2 0 355.372 0.448 20 0 FCADRL CCOc1cccnc1C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001597186274 987057279 /nfs/dbraw/zinc/05/72/79/987057279.db2.gz MFCKVMVAGOKFJU-UHFFFAOYSA-N -2 0 357.369 0.754 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(CN2CCCC2=O)cc1 ZINC001589491035 987057513 /nfs/dbraw/zinc/05/75/13/987057513.db2.gz HCBLLMNHWXKVLW-JTQLQIEISA-N -2 0 354.384 0.342 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1 ZINC001589496476 987079017 /nfs/dbraw/zinc/07/90/17/987079017.db2.gz WZMPOUXLULGWPJ-OQPBUACISA-N -2 0 368.383 0.255 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC001589496463 987079201 /nfs/dbraw/zinc/07/92/01/987079201.db2.gz WSSSPTTVONBBAE-UWVGGRQHSA-N -2 0 374.440 0.662 20 0 FCADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC001589602618 987435773 /nfs/dbraw/zinc/43/57/73/987435773.db2.gz HBPKFLCHGFLGBC-LLVKDONJSA-N -2 0 354.403 0.707 20 0 FCADRL CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1)C(=O)[O-] ZINC001597314283 987436952 /nfs/dbraw/zinc/43/69/52/987436952.db2.gz LBYWDXZFRNWXOV-UFBFGSQYSA-N -2 0 352.343 0.947 20 0 FCADRL CCc1c(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cnn1-c1ccccc1C ZINC001597411170 987698910 /nfs/dbraw/zinc/69/89/10/987698910.db2.gz XIHRYTPHFVVHGD-UHFFFAOYSA-N -2 0 351.384 0.887 20 0 FCADRL CC(C)(C)C(=O)NCCCC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001589692931 987762329 /nfs/dbraw/zinc/76/23/29/987762329.db2.gz RRSJOPDFAFGMMU-UHFFFAOYSA-N -2 0 360.388 0.725 20 0 FCADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])n1 ZINC001597604242 988480256 /nfs/dbraw/zinc/48/02/56/988480256.db2.gz IISKBTPPJJZLPO-ZDUSSCGKSA-N -2 0 372.381 0.508 20 0 FCADRL CCc1csc(-n2cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cn2)n1 ZINC001597639556 988632823 /nfs/dbraw/zinc/63/28/23/988632823.db2.gz LEXFFLVMOFJNJE-SSDOTTSWSA-N -2 0 358.401 0.424 20 0 FCADRL CC(C)(C)OC(=O)N1CC(CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1 ZINC001589925347 988667912 /nfs/dbraw/zinc/66/79/12/988667912.db2.gz LMYROVSLAWXUMC-UHFFFAOYSA-N -2 0 364.420 0.554 20 0 FCADRL CCc1nc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])nn1-c1ccccc1F ZINC001597650893 988683245 /nfs/dbraw/zinc/68/32/45/988683245.db2.gz NVWRZLICQVPAGX-UHFFFAOYSA-N -2 0 370.362 0.503 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@H](CC(=O)[N-]S(=O)(=O)CC(=O)[O-])C1 ZINC001590073908 989158750 /nfs/dbraw/zinc/15/87/50/989158750.db2.gz FLRDUIUPSGDBCG-SECBINFHSA-N -2 0 350.393 0.164 20 0 FCADRL CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001590118776 989332428 /nfs/dbraw/zinc/33/24/28/989332428.db2.gz XIMJDTWQGAXKGC-SSDOTTSWSA-N -2 0 374.362 0.456 20 0 FCADRL CCn1c(=O)[nH]c2ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc21 ZINC001597836515 989522532 /nfs/dbraw/zinc/52/25/32/989522532.db2.gz QQOAZOGLFKULKR-UHFFFAOYSA-N -2 0 369.399 0.932 20 0 FCADRL CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])nn3)ccc21 ZINC001597837041 989526926 /nfs/dbraw/zinc/52/69/26/989526926.db2.gz UIFQBOHXSAWNLD-UHFFFAOYSA-N -2 0 364.339 0.903 20 0 FCADRL CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1 ZINC001590298082 989727328 /nfs/dbraw/zinc/72/73/28/989727328.db2.gz ZWBJZSTWCPDSSH-MGCOHNPYSA-N -2 0 364.420 0.601 20 0 FCADRL CCn1ncc2cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])c(C)nc21 ZINC001597960123 989982002 /nfs/dbraw/zinc/98/20/02/989982002.db2.gz KZFQKJKGEWACJZ-WPRPVWTQSA-N -2 0 368.415 0.928 20 0 FCADRL CC(C)(C)n1cnc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)n1 ZINC001590603119 990264036 /nfs/dbraw/zinc/26/40/36/990264036.db2.gz PRYDJQBUSNMUQI-UHFFFAOYSA-N -2 0 366.399 0.991 20 0 FCADRL CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])n1 ZINC001598135055 990583684 /nfs/dbraw/zinc/58/36/84/990583684.db2.gz KEFAIOOQKRKQAG-UHFFFAOYSA-N -2 0 358.401 0.532 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12)C(=O)[O-] ZINC001590798161 990619249 /nfs/dbraw/zinc/61/92/49/990619249.db2.gz MMOWKXYLICLPBZ-AXFHLTTASA-N -2 0 360.432 0.238 20 0 FCADRL CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cc(O)ccc2C(=O)[O-])cn1C ZINC001598150879 990628071 /nfs/dbraw/zinc/62/80/71/990628071.db2.gz IOMHJTYGOBUNIR-UHFFFAOYSA-N -2 0 367.383 0.932 20 0 FCADRL CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2scnc2C(=O)[O-])nc1 ZINC001598155965 990641745 /nfs/dbraw/zinc/64/17/45/990641745.db2.gz CCNXFFYXPRKCBS-UHFFFAOYSA-N -2 0 356.385 0.739 20 0 FCADRL CN(C)C(=O)c1ccnc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC001598162386 990659286 /nfs/dbraw/zinc/65/92/86/990659286.db2.gz CQAXBIQDEFFPEB-UHFFFAOYSA-N -2 0 352.372 0.621 20 0 FCADRL CC(C)C(=O)N(C)Cc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1 ZINC001590928088 990938605 /nfs/dbraw/zinc/93/86/05/990938605.db2.gz RCLVMNAFNQFNJN-NSHDSACASA-N -2 0 370.427 0.834 20 0 FCADRL CC(C)C(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001590933668 990950409 /nfs/dbraw/zinc/95/04/09/990950409.db2.gz QINZHKCJHOVBIT-SNVBAGLBSA-N -2 0 358.372 0.430 20 0 FCADRL CN(CC(=O)[N-]OCCCC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC001598396553 991659421 /nfs/dbraw/zinc/65/94/21/991659421.db2.gz LYBGMPIQGKKFSQ-UHFFFAOYSA-N -2 0 364.807 0.873 20 0 FCADRL CN(CC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)[C@@H]1CCSC1 ZINC001598396844 991662988 /nfs/dbraw/zinc/66/29/88/991662988.db2.gz SPVKIPRXHDPWOA-CYBMUJFWSA-N -2 0 372.468 0.768 20 0 FCADRL COc1nc(C(=O)OCCCN2C(=O)CS/C2=C\C(=O)[O-])cc(=O)[n-]1 ZINC001599731572 991716762 /nfs/dbraw/zinc/71/67/62/991716762.db2.gz DUQSJROMALFKKP-WDZFZDKYSA-N -2 0 369.355 0.239 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)cn1 ZINC001599759960 992106891 /nfs/dbraw/zinc/10/68/91/992106891.db2.gz NXYFZDLNWPCSMR-LBPRGKRZSA-N -2 0 371.415 0.549 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])cn1 ZINC001599761401 992127237 /nfs/dbraw/zinc/12/72/37/992127237.db2.gz YHNGXGGPJPKKDL-GHMZBOCLSA-N -2 0 357.388 0.205 20 0 FCADRL CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CC1=O ZINC001598578644 993312249 /nfs/dbraw/zinc/31/22/49/993312249.db2.gz JWOBPCAPHBRNIE-MRVPVSSYSA-N -2 0 374.802 0.712 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C2CCC2)c(OC)c1C(=O)[O-] ZINC001599611481 993960466 /nfs/dbraw/zinc/96/04/66/993960466.db2.gz KRWIGZDYLSTQJQ-LBPRGKRZSA-N -2 0 373.383 0.934 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2O[C@@H](C)C[C@H]2C)c(CC(=O)[O-])c1 ZINC001599611765 993964435 /nfs/dbraw/zinc/96/44/35/993964435.db2.gz QNJBDAVQUBTSBJ-HFBDOXOYSA-N -2 0 371.411 0.941 20 0 FCADRL C[C@@H](NC(=O)c1ccc(F)cc1[N-]S(=O)(=O)N1CCCC1)C(=O)[O-] ZINC001593168343 994011704 /nfs/dbraw/zinc/01/17/04/994011704.db2.gz JOYXMCWCJNYAOG-SECBINFHSA-N -2 0 359.379 0.781 20 0 FCADRL C[C@@](NC(=O)c1cccc(-n2[n-]nnc2=N)c1)(C(=O)[O-])c1ccccc1 ZINC001593175659 994048444 /nfs/dbraw/zinc/04/84/44/994048444.db2.gz VGJQQAKJFMUXJR-KRWDZBQOSA-N -2 0 352.354 0.805 20 0 FCADRL CNC(=O)c1ccc(S(=O)(=O)[N-]c2c(C(=O)[O-])c(C)nn2C)cc1 ZINC001598659495 994573115 /nfs/dbraw/zinc/57/31/15/994573115.db2.gz MYFQWGJCQYAGHC-UHFFFAOYSA-N -2 0 352.372 0.587 20 0 FCADRL COc1cccc(CNC(=O)CS(=O)(=O)c2ncc(C(=O)[O-])[n-]2)c1 ZINC001599673198 994850360 /nfs/dbraw/zinc/85/03/60/994850360.db2.gz DSUXXKGOBVRLCJ-UHFFFAOYSA-N -2 0 353.356 0.207 20 0 FCADRL C[C@@H](NS(=O)(=O)c1ccc(Br)cc1CC(=O)[O-])C(=O)[O-] ZINC001593331026 994898199 /nfs/dbraw/zinc/89/81/99/994898199.db2.gz QXTCRPYLXHRPAM-ZCFIWIBFSA-N -2 0 366.189 0.828 20 0 FCADRL COc1cccc(OC)c1CC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC001599681060 994981766 /nfs/dbraw/zinc/98/17/66/994981766.db2.gz YZIUAYYJNVYPEZ-NXEZZACHSA-N -2 0 359.400 0.802 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)c1 ZINC001599682711 995008778 /nfs/dbraw/zinc/00/87/78/995008778.db2.gz DNNJQKCPCHGNEL-MYYSRTQBSA-N -2 0 355.412 0.487 20 0 FCADRL COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001598693716 995102981 /nfs/dbraw/zinc/10/29/81/995102981.db2.gz FWZBTDKMTPRSOA-SECBINFHSA-N -2 0 365.747 0.333 20 0 FCADRL COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC001598693746 995103655 /nfs/dbraw/zinc/10/36/55/995103655.db2.gz GYTJZTTXZIHDPN-SSDOTTSWSA-N -2 0 357.718 0.913 20 0 FCADRL C[C@@](O)(CNS(=O)(=O)c1c2ccccc2sc1C(=O)[O-])C(=O)[O-] ZINC001593417123 995202746 /nfs/dbraw/zinc/20/27/46/995202746.db2.gz LZZPAEYAEDSJEV-CYBMUJFWSA-N -2 0 359.381 0.713 20 0 FCADRL C[C@](O)(CNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)C(=O)[O-] ZINC001593417358 995204643 /nfs/dbraw/zinc/20/46/43/995204643.db2.gz SSTUJYZTBFIPSY-NSHDSACASA-N -2 0 372.182 0.806 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])c1ccsc1 ZINC001598711497 995354341 /nfs/dbraw/zinc/35/43/41/995354341.db2.gz ZYCHNDNQQFERRP-SECBINFHSA-N -2 0 359.385 0.670 20 0 FCADRL C[C@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001593608626 995797802 /nfs/dbraw/zinc/79/78/02/995797802.db2.gz MMIRXRBAHXUKHP-SMDDNHRTSA-N -2 0 371.411 0.915 20 0 FCADRL COC(=O)[C@@H]1CN(C(=O)c2ncc(Br)cc2[O-])C[C@H]1C(=O)[O-] ZINC001598819313 996306693 /nfs/dbraw/zinc/30/66/93/996306693.db2.gz BKTPDUIDFMBSMD-HTQZYQBOSA-N -2 0 373.159 0.496 20 0 FCADRL COC(=O)/C=C\c1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])o1 ZINC001598829474 996420244 /nfs/dbraw/zinc/42/02/44/996420244.db2.gz DCOLSQUYJCEKCB-XOPPAYCJSA-N -2 0 359.356 0.635 20 0 FCADRL COC(=O)CN(CC(=O)[O-])C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001598863434 996694274 /nfs/dbraw/zinc/69/42/74/996694274.db2.gz NOIULVZTHITUIB-UHFFFAOYSA-N -2 0 367.745 0.931 20 0 FCADRL CC1(C)CCc2[nH]c(=O)c(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cc2C1 ZINC001593915852 996812761 /nfs/dbraw/zinc/81/27/61/996812761.db2.gz GCXAINZRGUHRIX-UHFFFAOYSA-N -2 0 356.400 0.836 20 0 FCADRL CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)C1 ZINC001599073557 996817706 /nfs/dbraw/zinc/81/77/06/996817706.db2.gz NKSCSIVNVAPGTK-INIZCTEOSA-N -2 0 363.395 0.538 20 0 FCADRL COC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C)C(=O)[O-] ZINC001599177386 996875059 /nfs/dbraw/zinc/87/50/59/996875059.db2.gz LBJLZAZPFXGWOD-SECBINFHSA-N -2 0 351.764 0.725 20 0 FCADRL COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001598893002 997027402 /nfs/dbraw/zinc/02/74/02/997027402.db2.gz JHLBRROHEPBCNO-LLVKDONJSA-N -2 0 365.317 0.853 20 0 FCADRL COCc1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC001599290255 997052765 /nfs/dbraw/zinc/05/27/65/997052765.db2.gz NDIVLTBBUHMONN-UHFFFAOYSA-N -2 0 356.400 0.604 20 0 FCADRL COC1(C[C@@H](NS(=O)(=O)CC2(C(=O)[O-])CCCC2)C(=O)[O-])CCC1 ZINC001599087969 997134966 /nfs/dbraw/zinc/13/49/66/997134966.db2.gz CHUFULNBBRBEON-LLVKDONJSA-N -2 0 363.432 0.963 20 0 FCADRL COCCN(CC(=O)[O-])C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001593998943 997332751 /nfs/dbraw/zinc/33/27/51/997332751.db2.gz TXMKZACXBSFQDD-UHFFFAOYSA-N -2 0 352.265 0.631 20 0 FCADRL COc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)N(C)CCC(=O)[O-])cc1 ZINC001599514834 997365345 /nfs/dbraw/zinc/36/53/45/997365345.db2.gz MMZQYYRIGDDIPH-GFCCVEGCSA-N -2 0 360.388 0.452 20 0 FCADRL COC(=O)c1[nH]cc(C(=O)[O-])c1[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC001598913068 997404688 /nfs/dbraw/zinc/40/46/88/997404688.db2.gz RVNMBPWLSDGRKM-UHFFFAOYSA-N -2 0 368.371 0.907 20 0 FCADRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)NCCCC(=O)[O-] ZINC001598916046 997468763 /nfs/dbraw/zinc/46/87/63/997468763.db2.gz NMKGOLOTQDGGKQ-UHFFFAOYSA-N -2 0 365.385 0.684 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)c1 ZINC001598921428 997571378 /nfs/dbraw/zinc/57/13/78/997571378.db2.gz FTKJKEDWIZVUHH-LBPRGKRZSA-N -2 0 371.367 0.703 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NCC[C@H](C)C(=O)[O-])c1 ZINC001598921578 997573687 /nfs/dbraw/zinc/57/36/87/997573687.db2.gz HAQBGPRGORUMJM-QMMMGPOBSA-N -2 0 359.356 0.561 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC001598923183 997607021 /nfs/dbraw/zinc/60/70/21/997607021.db2.gz KWICBDUCHNBTAK-JGZJWPJOSA-N -2 0 371.367 0.655 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])c1 ZINC001598923293 997608345 /nfs/dbraw/zinc/60/83/45/997608345.db2.gz GUCVRJQAFUYLRN-LBPRGKRZSA-N -2 0 373.383 0.949 20 0 FCADRL COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001599232623 997888857 /nfs/dbraw/zinc/88/88/57/997888857.db2.gz PNXXPSYKRMFKNX-NSHDSACASA-N -2 0 351.421 0.773 20 0 FCADRL COc1c(S(=O)(=O)[N-]C(=O)c2cc(C)c(C(=O)[O-])o2)c(C)nn1C ZINC001599344402 997977173 /nfs/dbraw/zinc/97/71/73/997977173.db2.gz HXKZYJBEDYEJGW-UHFFFAOYSA-N -2 0 357.344 0.455 20 0 FCADRL CO[C@@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)[C@@](C)(C(=O)[O-])C1 ZINC001599136355 998050488 /nfs/dbraw/zinc/05/04/88/998050488.db2.gz FPJJPPHEORISDO-XHDPSFHLSA-N -2 0 357.384 0.566 20 0 FCADRL CO[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2C)[C@@](C)(C(=O)[O-])C1 ZINC001599136609 998055475 /nfs/dbraw/zinc/05/54/75/998055475.db2.gz MEEOIOAJRRXXAP-ZUZCIYMTSA-N -2 0 357.384 0.946 20 0 FCADRL CO[C@@H]1COCC[C@@H]1CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001599137886 998075034 /nfs/dbraw/zinc/07/50/34/998075034.db2.gz INPZWAMXEVIRBE-ZIAGYGMSSA-N -2 0 371.411 0.772 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCOC2)C(=O)[O-])on1 ZINC001598954235 998211857 /nfs/dbraw/zinc/21/18/57/998211857.db2.gz QAXIJQIIPQTCNW-BDAKNGLRSA-N -2 0 362.360 0.009 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-][C@](C)(CC(=O)[O-])c2ccccn2)on1 ZINC001598954304 998213437 /nfs/dbraw/zinc/21/34/37/998213437.db2.gz SORQRKVPCSUCNR-CQSZACIVSA-N -2 0 369.355 0.525 20 0 FCADRL COC[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1)C(=O)[O-] ZINC001599155195 998360911 /nfs/dbraw/zinc/36/09/11/998360911.db2.gz NOBDJQARGZDZMZ-LLVKDONJSA-N -2 0 355.752 0.488 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@@H](CC2CC2)C(=O)[O-])c1 ZINC001598963612 998376608 /nfs/dbraw/zinc/37/66/08/998376608.db2.gz LWYWXZIYFUCMRQ-NSHDSACASA-N -2 0 371.367 0.703 20 0 FCADRL COCCOc1cccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001599260569 998377826 /nfs/dbraw/zinc/37/78/26/998377826.db2.gz HEOACHYIVQWFDQ-GHMZBOCLSA-N -2 0 359.400 0.881 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)c1 ZINC001598964392 998389710 /nfs/dbraw/zinc/38/97/10/998389710.db2.gz XCVFFLSONRTYIU-WCBMZHEXSA-N -2 0 369.351 0.479 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)c1 ZINC001598964668 998394074 /nfs/dbraw/zinc/39/40/74/998394074.db2.gz YCFXZRFFVQCAQG-PSASIEDQSA-N -2 0 371.367 0.655 20 0 FCADRL COc1ccc(-n2cc([O-])c(C(=O)N[C@@]3(CC(=O)[O-])CCOC3)n2)cc1 ZINC001599473689 998492448 /nfs/dbraw/zinc/49/24/48/998492448.db2.gz KLNVOKOEIYDHLQ-QGZVFWFLSA-N -2 0 361.354 0.950 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)NC(C)(C)CC(=O)[O-] ZINC001598970260 998502990 /nfs/dbraw/zinc/50/29/90/998502990.db2.gz IUZSXVNHYAWRGL-UHFFFAOYSA-N -2 0 359.356 0.703 20 0 FCADRL COC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C(=O)[O-] ZINC001599172319 998623909 /nfs/dbraw/zinc/62/39/09/998623909.db2.gz XMJNXOUMUDCFAN-GFCCVEGCSA-N -2 0 372.399 0.006 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C(=O)[O-])cnn2C)cc1OC ZINC001598990259 998730362 /nfs/dbraw/zinc/73/03/62/998730362.db2.gz BRUCVXBOWJJKJO-UHFFFAOYSA-N -2 0 369.355 0.714 20 0 FCADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)C1 ZINC001594209555 998811166 /nfs/dbraw/zinc/81/11/66/998811166.db2.gz DHKGJPDGGJIEMQ-DGCLKSJQSA-N -2 0 354.403 0.659 20 0 FCADRL COC(=O)c1oc(S(=O)(=O)[N-]C(=O)C23CC(C(=O)[O-])(C2)C3)cc1C ZINC001599019349 998965837 /nfs/dbraw/zinc/96/58/37/998965837.db2.gz GOJJIMWEVFXSRQ-UHFFFAOYSA-N -2 0 357.340 0.434 20 0 FCADRL CO[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1cnn(C)c1 ZINC001599029421 999039408 /nfs/dbraw/zinc/03/94/08/999039408.db2.gz ZKXBPLBUXVQKJX-ZDUSSCGKSA-N -2 0 367.383 0.452 20 0 FCADRL CO[C@H](C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(=O)[O-])C1CC1 ZINC001599042337 999126921 /nfs/dbraw/zinc/12/69/21/999126921.db2.gz BCEKVQQALYRLOI-NWDGAFQWSA-N -2 0 358.372 0.326 20 0 FCADRL CO[C@H](CNS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-])CC(=O)[O-] ZINC001599054919 999222754 /nfs/dbraw/zinc/22/27/54/999222754.db2.gz DXJHMZLREUPIJX-VIFPVBQESA-N -2 0 368.367 0.701 20 0 FCADRL CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ncn(CC(=O)[O-])n1 ZINC001599057450 999240241 /nfs/dbraw/zinc/24/02/41/999240241.db2.gz FOYKPEXXVGQGTR-LBPRGKRZSA-N -2 0 354.388 0.362 20 0 FCADRL C[C@@H]1CN(C(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CC[C@@H]1C(=O)[O-] ZINC001594453086 999654400 /nfs/dbraw/zinc/65/44/00/999654400.db2.gz DMKQOQOPHRPQNN-GRYCIOLGSA-N -2 0 352.387 0.269 20 0 FCADRL C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C(=O)[O-])s2)CC[C@@H]1C(=O)[O-] ZINC001594457735 999662934 /nfs/dbraw/zinc/66/29/34/999662934.db2.gz JHSPVQVARJBHNE-SCZZXKLOSA-N -2 0 354.384 0.632 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)n1 ZINC000265601018 210175859 /nfs/dbraw/zinc/17/58/59/210175859.db2.gz UVRHNCVOCAIVRS-UHFFFAOYSA-N -2 0 366.399 0.577 20 0 FCADRL COc1cc(Cl)c(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1OC ZINC000280388034 212633995 /nfs/dbraw/zinc/63/39/95/212633995.db2.gz FHIJCHMPAYCUMF-UHFFFAOYSA-N -2 0 367.763 0.517 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])c(C)c1 ZINC000278720606 212481001 /nfs/dbraw/zinc/48/10/01/212481001.db2.gz OTFJFBQLLWGMPJ-LLVKDONJSA-N -2 0 373.383 0.768 20 0 FCADRL CCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1 ZINC000275206172 211983725 /nfs/dbraw/zinc/98/37/25/211983725.db2.gz ZGTORGJBDXLPED-OLZOCXBDSA-N -2 0 357.384 0.881 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000274971743 211940814 /nfs/dbraw/zinc/94/08/14/211940814.db2.gz KOFWJNIJAACDGX-UHFFFAOYSA-N -2 0 357.262 0.745 20 0 FCADRL COC(=O)C1(c2ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc2)CC1 ZINC000274967616 211939394 /nfs/dbraw/zinc/93/93/94/211939394.db2.gz VXJYEHGXTRZXLO-NSHDSACASA-N -2 0 371.367 0.097 20 0 FCADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)c1 ZINC000436993561 248057239 /nfs/dbraw/zinc/05/72/39/248057239.db2.gz DLJWKHILRHPHJR-UHFFFAOYSA-N -2 0 361.339 0.867 20 0 FCADRL COC(=O)c1coc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)c1 ZINC000443409700 248324423 /nfs/dbraw/zinc/32/44/23/248324423.db2.gz LLGQSTYDPPIGTF-UHFFFAOYSA-N -2 0 365.327 0.548 20 0 FCADRL CN(C)c1ncc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cn1 ZINC000443469781 248326345 /nfs/dbraw/zinc/32/63/45/248326345.db2.gz SOEMKNHKLBRZPM-UHFFFAOYSA-N -2 0 352.372 0.807 20 0 FCADRL C[C@](O)(CNC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC000471442651 250102417 /nfs/dbraw/zinc/10/24/17/250102417.db2.gz SSLKJLSNUIKHET-LBPRGKRZSA-N -2 0 350.780 0.277 20 0 FCADRL NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000481435380 250335507 /nfs/dbraw/zinc/33/55/07/250335507.db2.gz MADRYBNGGRMBNV-UHFFFAOYSA-N -2 0 372.380 0.539 20 0 FCADRL CCOC(=O)c1cccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])c1 ZINC000278745062 488893678 /nfs/dbraw/zinc/89/36/78/488893678.db2.gz QNGJIVFVDHMDTK-GFCCVEGCSA-N -2 0 373.383 0.850 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cccc1S(N)(=O)=O ZINC000320069183 488899268 /nfs/dbraw/zinc/89/92/68/488899268.db2.gz RYFFHYIRAQODBG-UHFFFAOYSA-N -2 0 359.385 0.470 20 0 FCADRL NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000315616990 488897075 /nfs/dbraw/zinc/89/70/75/488897075.db2.gz WDDCLCQOPMPPJH-UHFFFAOYSA-N -2 0 362.410 0.895 20 0 FCADRL COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000326746851 488916148 /nfs/dbraw/zinc/91/61/48/488916148.db2.gz KRRUASKBDLCJSW-UHFFFAOYSA-N -2 0 367.383 0.890 20 0 FCADRL NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1 ZINC000047202427 488018596 /nfs/dbraw/zinc/01/85/96/488018596.db2.gz ZFMQZZCRXMYEPJ-UHFFFAOYSA-N -2 0 374.371 0.972 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(=O)[O-])cc2)cn1 ZINC000066577645 488331880 /nfs/dbraw/zinc/33/18/80/488331880.db2.gz YONRHCNHYOFBBW-UHFFFAOYSA-N -2 0 352.372 0.518 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(CCO)c2)cc2c1OCCO2 ZINC000067659897 488354485 /nfs/dbraw/zinc/35/44/85/488354485.db2.gz DMMLPERAQMWWMN-UHFFFAOYSA-N -2 0 369.355 0.146 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000262223122 488558221 /nfs/dbraw/zinc/55/82/21/488558221.db2.gz ZPMQYIKFAWFARS-MFKMUULPSA-N -2 0 356.400 0.762 20 0 FCADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000274342308 488699888 /nfs/dbraw/zinc/69/98/88/488699888.db2.gz INSLSOVUIRVDHB-NSHDSACASA-N -2 0 357.384 0.808 20 0 FCADRL C[C@@H](CN(C)C(=O)c1cc(F)ccc1[N-]S(C)(=O)=O)c1nnn[n-]1 ZINC000274749551 488731864 /nfs/dbraw/zinc/73/18/64/488731864.db2.gz HEBNJSPXYXLATO-QMMMGPOBSA-N -2 0 356.383 0.586 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)CC[C@@H]1C(=O)[O-] ZINC000274958278 488748037 /nfs/dbraw/zinc/74/80/37/488748037.db2.gz BEKYKJYJFRBIBO-RYUDHWBXSA-N -2 0 355.368 0.418 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccccc1Br)C(=O)[O-] ZINC000275030195 488754890 /nfs/dbraw/zinc/75/48/90/488754890.db2.gz TZQNOKDHEFTIGB-SSDOTTSWSA-N -2 0 366.189 0.903 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1sccc1Br)C(=O)[O-] ZINC000275046964 488756443 /nfs/dbraw/zinc/75/64/43/488756443.db2.gz WMXIEDODJGCXJW-YFKPBYRVSA-N -2 0 372.218 0.964 20 0 FCADRL COC(=O)c1cccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1C ZINC000275057498 488757063 /nfs/dbraw/zinc/75/70/63/488757063.db2.gz YHEDPMNCEAYTAQ-VIFPVBQESA-N -2 0 359.356 0.235 20 0 FCADRL Cc1ccc(Br)c(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1 ZINC000275058631 488757686 /nfs/dbraw/zinc/75/76/86/488757686.db2.gz YJPGCDNBWSVPLM-UHFFFAOYSA-N -2 0 366.189 0.917 20 0 FCADRL CCCOC(=O)c1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000275069532 488758698 /nfs/dbraw/zinc/75/86/98/488758698.db2.gz LATKIPGUSMFLBG-LBPRGKRZSA-N -2 0 373.383 0.850 20 0 FCADRL COc1cccc(OC)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000275076319 488759231 /nfs/dbraw/zinc/75/92/31/488759231.db2.gz HUSOHWMZDMKYET-NXEZZACHSA-N -2 0 373.383 0.500 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000275080386 488759527 /nfs/dbraw/zinc/75/95/27/488759527.db2.gz NEXANLYEKBPNFZ-YFKPBYRVSA-N -2 0 357.171 0.985 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(C)c1 ZINC000275083787 488759959 /nfs/dbraw/zinc/75/99/59/488759959.db2.gz NSLSIJLQOQWPFC-JTQLQIEISA-N -2 0 359.356 0.378 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1c(Cl)ccnc1Cl)C(=O)[O-] ZINC000275091044 488760565 /nfs/dbraw/zinc/76/05/65/488760565.db2.gz OYBYVPAUZLFQLN-LURJTMIESA-N -2 0 357.171 0.985 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)C[C@@H]1C(=O)[O-] ZINC000275143314 488765893 /nfs/dbraw/zinc/76/58/93/488765893.db2.gz QNALHACTGGJLJW-ZJUUUORDSA-N -2 0 362.791 0.672 20 0 FCADRL COc1ccc(C)cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000275173253 488768638 /nfs/dbraw/zinc/76/86/38/488768638.db2.gz VUFHLSLXJKVPBB-WDEREUQCSA-N -2 0 357.384 0.800 20 0 FCADRL CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)n1 ZINC000290748718 489162735 /nfs/dbraw/zinc/16/27/35/489162735.db2.gz XYPJGNYFCURCLU-UHFFFAOYSA-N -2 0 366.399 0.399 20 0 FCADRL CC(C)(C)c1cc(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)no1 ZINC000563712910 491264927 /nfs/dbraw/zinc/26/49/27/491264927.db2.gz FCEJMHPOLDBXKL-GHMZBOCLSA-N -2 0 374.415 0.909 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1C(N)=O ZINC000474388456 489759616 /nfs/dbraw/zinc/75/96/16/489759616.db2.gz FOARXANCUMQOCY-UHFFFAOYSA-N -2 0 354.344 0.027 20 0 FCADRL COc1ncc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1C(N)=O ZINC000475556841 489836107 /nfs/dbraw/zinc/83/61/07/489836107.db2.gz UJAKVZHHXRPFKL-UHFFFAOYSA-N -2 0 370.325 0.499 20 0 FCADRL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2noc(-c3ccccc3)n2)s1 ZINC000433307231 489876172 /nfs/dbraw/zinc/87/61/72/489876172.db2.gz UTJNJEHXYUDGNA-UHFFFAOYSA-N -2 0 366.384 1.212 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)cn1 ZINC000476393644 489884228 /nfs/dbraw/zinc/88/42/28/489884228.db2.gz ARPYIQPGIPYPFS-UHFFFAOYSA-N -2 0 373.412 0.806 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)cc1C(=O)[O-] ZINC000477522860 489970796 /nfs/dbraw/zinc/97/07/96/489970796.db2.gz DWCXPTZVFMKJFQ-UHFFFAOYSA-N -3 0 364.343 0.205 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n1 ZINC000506630262 490117749 /nfs/dbraw/zinc/11/77/49/490117749.db2.gz KEBKEXKUUFMAJN-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cn1C ZINC000392449710 490150119 /nfs/dbraw/zinc/15/01/19/490150119.db2.gz GQAQWJOIOOPEOT-UHFFFAOYSA-N -2 0 351.384 0.813 20 0 FCADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccn(CCC(N)=O)n1 ZINC000466289421 490175102 /nfs/dbraw/zinc/17/51/02/490175102.db2.gz QPNMWGDRYDMNQQ-UHFFFAOYSA-N -2 0 352.372 0.566 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)n1 ZINC000466284529 490175167 /nfs/dbraw/zinc/17/51/67/490175167.db2.gz ALDBFEQXSLASCD-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL COc1cc(OC)c(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1Cl ZINC000520984189 490210225 /nfs/dbraw/zinc/21/02/25/490210225.db2.gz ZSFJLFJYBCDANJ-ZETCQYMHSA-N -2 0 367.763 0.563 20 0 FCADRL CC(C)(CCC(=O)[O-])NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000534051416 490312967 /nfs/dbraw/zinc/31/29/67/490312967.db2.gz YLZVQIDJTLHCEU-UHFFFAOYSA-N -2 0 356.360 0.358 20 0 FCADRL CCn1c(=O)oc2cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])ccc21 ZINC000547582006 490323514 /nfs/dbraw/zinc/32/35/14/490323514.db2.gz FXVZHBBKANIQLG-VIFPVBQESA-N -2 0 372.355 0.211 20 0 FCADRL C[C@H]1C(=O)Nc2ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc21 ZINC000547900583 490382039 /nfs/dbraw/zinc/38/20/39/490382039.db2.gz WPZMVKXVCSWVSY-HTQZYQBOSA-N -2 0 356.356 0.196 20 0 FCADRL C[C@](CNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)(CC(=O)[O-])C(=O)[O-] ZINC000547936113 490392690 /nfs/dbraw/zinc/39/26/90/490392690.db2.gz XDSRRFFTNQXPJQ-OAHLLOKOSA-N -2 0 368.367 0.372 20 0 FCADRL O=c1[n-]nnn1-c1ccc([N-]S(=O)(=O)c2cccc3c2OCO3)cc1 ZINC000509390946 490421753 /nfs/dbraw/zinc/42/17/53/490421753.db2.gz IYNIRSBNIWJYHY-UHFFFAOYSA-N -2 0 361.339 0.897 20 0 FCADRL COCCn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC000509599104 490442107 /nfs/dbraw/zinc/44/21/07/490442107.db2.gz FOCQKPUAMWUCHH-UHFFFAOYSA-N -3 0 369.355 0.727 20 0 FCADRL COC(=O)c1cc(C)ccc1S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000548265577 490454162 /nfs/dbraw/zinc/45/41/62/490454162.db2.gz FHIKZLGPWOBZGB-OAHLLOKOSA-N -2 0 373.383 0.626 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000535322007 490479473 /nfs/dbraw/zinc/47/94/73/490479473.db2.gz QHJUQZGVFHPUAW-VIFPVBQESA-N -2 0 368.394 0.730 20 0 FCADRL C[C@@](CNS(=O)(=O)c1ccc(F)c(F)c1F)(CC(=O)[O-])C(=O)[O-] ZINC000548594411 490514774 /nfs/dbraw/zinc/51/47/74/490514774.db2.gz GPLJQBZJACGQNI-LBPRGKRZSA-N -2 0 355.290 0.948 20 0 FCADRL Cc1nc(=NC(=O)c2cncc(C(=O)N=c3nc(C)[n-]s3)c2)s[n-]1 ZINC000486607121 490652420 /nfs/dbraw/zinc/65/24/20/490652420.db2.gz TZFAYPWKKNMOMK-UHFFFAOYSA-N -2 0 361.412 0.750 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1C(N)=O ZINC000539194322 490767410 /nfs/dbraw/zinc/76/74/10/490767410.db2.gz PPJWRMRAYWNJTB-UHFFFAOYSA-N -2 0 354.344 0.027 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(F)c1 ZINC000514755164 490786523 /nfs/dbraw/zinc/78/65/23/490786523.db2.gz AMYIJRVQIRUZAJ-VIFPVBQESA-N -2 0 363.319 0.209 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1C(=O)[O-] ZINC000539841678 490797690 /nfs/dbraw/zinc/79/76/90/490797690.db2.gz BSCRPMBSDLBGBH-UHFFFAOYSA-N -3 0 355.328 0.626 20 0 FCADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CC(N)=O)n1 ZINC000516414537 490862872 /nfs/dbraw/zinc/86/28/72/490862872.db2.gz LCQLWGLHYAGECE-UHFFFAOYSA-N -2 0 352.372 0.430 20 0 FCADRL CC(C)(C)c1cc(CS(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])no1 ZINC000516775593 490877506 /nfs/dbraw/zinc/87/75/06/490877506.db2.gz VPAXOVSIHRZWJE-CQSZACIVSA-N -2 0 362.404 0.957 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000566908630 491474071 /nfs/dbraw/zinc/47/40/71/491474071.db2.gz FIZPSGKTRLPEDV-LURJTMIESA-N -2 0 357.262 0.633 20 0 FCADRL C[C@@]1(C(=O)[O-])CCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000568268694 491565540 /nfs/dbraw/zinc/56/55/40/491565540.db2.gz GAVDXSSKMFVSCH-CQSZACIVSA-N -2 0 362.354 0.566 20 0 FCADRL C[C@]1(C(=O)[O-])CCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000568268693 491565608 /nfs/dbraw/zinc/56/56/08/491565608.db2.gz GAVDXSSKMFVSCH-AWEZNQCLSA-N -2 0 362.354 0.566 20 0 FCADRL O=c1[n-]c([C@H]2CCCN(CC3=Nc4ccccc4S(=O)(=O)[N-]3)C2)n[nH]1 ZINC000577538873 491630641 /nfs/dbraw/zinc/63/06/41/491630641.db2.gz QYHNQIVZEALKLG-JTQLQIEISA-N -2 0 362.415 0.712 20 0 FCADRL COC(=O)C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000576997450 491663407 /nfs/dbraw/zinc/66/34/07/491663407.db2.gz UBXOPWSIPSXWAM-SSDOTTSWSA-N -2 0 357.718 0.913 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)c(F)c1 ZINC000580503206 491733773 /nfs/dbraw/zinc/73/37/73/491733773.db2.gz FMKWSWYFJHNDMN-AWEZNQCLSA-N -2 0 361.347 0.774 20 0 FCADRL CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC000589260767 491759810 /nfs/dbraw/zinc/75/98/10/491759810.db2.gz YTUJQWZLAIVERS-UHFFFAOYSA-N -2 0 352.372 0.470 20 0 FCADRL COC(=O)C(C)(C)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000583641982 491849309 /nfs/dbraw/zinc/84/93/09/491849309.db2.gz KTMYLYBJSXTCFR-LLVKDONJSA-N -2 0 373.383 0.343 20 0 FCADRL C[C@@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@H]1C(=O)[O-] ZINC000583935076 491854984 /nfs/dbraw/zinc/85/49/84/491854984.db2.gz NOGICAYISIFHKP-GMSGAONNSA-N -2 0 368.371 0.167 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)CCOCc2ccccc2)C[C@H]1C(=O)[O-] ZINC000584157157 491859673 /nfs/dbraw/zinc/85/96/73/491859673.db2.gz RRVGNXSZLSNTCW-UONOGXRCSA-N -2 0 371.411 0.640 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s1 ZINC000614327655 492024567 /nfs/dbraw/zinc/02/45/67/492024567.db2.gz SRUJLQVUPKITTH-ZCFIWIBFSA-N -2 0 351.358 0.131 20 0 FCADRL COCCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC000614836317 492059049 /nfs/dbraw/zinc/05/90/49/492059049.db2.gz CHFIZUJYAMVLLV-UHFFFAOYSA-N -2 0 369.355 0.727 20 0 FCADRL COCCS(=O)(=O)[N-]c1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000607104081 492138343 /nfs/dbraw/zinc/13/83/43/492138343.db2.gz QZXFQTCHSHIYEN-UHFFFAOYSA-N -2 0 350.418 0.221 20 0 FCADRL O=C(NCc1nnn[n-]1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000599344713 492163114 /nfs/dbraw/zinc/16/31/14/492163114.db2.gz USMOEWFFHWNYJM-UHFFFAOYSA-N -2 0 364.412 0.992 20 0 FCADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CCO)c1 ZINC000619956439 492284394 /nfs/dbraw/zinc/28/43/94/492284394.db2.gz QXQFGZGUMCSYKM-UHFFFAOYSA-N -2 0 355.372 0.312 20 0 FCADRL CC(C)[C@@H](CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000655559919 492457341 /nfs/dbraw/zinc/45/73/41/492457341.db2.gz SIKNOVMHYAEELY-SECBINFHSA-N -2 0 364.370 0.716 20 0 FCADRL O=C(N[C@H](c1nnn[n-]1)c1ccccc1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000622609617 492480180 /nfs/dbraw/zinc/48/01/80/492480180.db2.gz CYFBYMCQTAAFPT-NSHDSACASA-N -2 0 364.325 0.469 20 0 FCADRL Cc1cc(C(N)=O)cc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)c1 ZINC000656514015 492627695 /nfs/dbraw/zinc/62/76/95/492627695.db2.gz IHXDFLCVSMGOHT-OAHLLOKOSA-N -2 0 370.383 0.034 20 0 FCADRL COCc1ccc(OC)c(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000650392842 492637754 /nfs/dbraw/zinc/63/77/54/492637754.db2.gz KLBCMOPNNUITLL-SNVBAGLBSA-N -2 0 361.372 0.438 20 0 FCADRL O=C([O-])CC[C@@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000650392944 492637916 /nfs/dbraw/zinc/63/79/16/492637916.db2.gz SQBSNGHFCZDHIP-ZCFIWIBFSA-N -3 0 359.253 0.839 20 0 FCADRL C[C@@H](COC1CCCC1)CS(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000650392855 492637918 /nfs/dbraw/zinc/63/79/18/492637918.db2.gz LACSCHLDUCRRML-CMPLNLGQSA-N -2 0 351.421 0.819 20 0 FCADRL CC(C)[C@@](C)(CNC(=O)c1cc(=O)n(C)[n-]1)NC(=O)c1cc(=O)n(C)[n-]1 ZINC000668760160 493406354 /nfs/dbraw/zinc/40/63/54/493406354.db2.gz XJPMQKPNHCTHJM-MRXNPFEDSA-N -2 0 364.406 0.139 20 0 FCADRL O=C([O-])Cc1ccc(C[C@@H](NS(=O)(=O)c2ccco2)C(=O)[O-])cc1 ZINC000684561403 493419310 /nfs/dbraw/zinc/41/93/10/493419310.db2.gz AZELGRABKHNREI-GFCCVEGCSA-N -2 0 353.352 0.881 20 0 FCADRL Cn1cnc(S(=O)(=O)N[C@@H](Cc2ccc(CC(=O)[O-])cc2)C(=O)[O-])c1 ZINC000684562252 493419340 /nfs/dbraw/zinc/41/93/40/493419340.db2.gz VDZDDTGHKIQQLS-LBPRGKRZSA-N -2 0 367.383 0.021 20 0 FCADRL NC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000684894958 493437551 /nfs/dbraw/zinc/43/75/51/493437551.db2.gz NYUSEYBSHOBBBW-SECBINFHSA-N -2 0 364.763 0.035 20 0 FCADRL COc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000663292039 493582516 /nfs/dbraw/zinc/58/25/16/493582516.db2.gz RZPFMTBDSIAKOL-NXEZZACHSA-N -2 0 361.347 0.630 20 0 FCADRL O=C([O-])Cc1ccc(C[C@H](NS(=O)(=O)c2ccoc2)C(=O)[O-])cc1 ZINC000671645066 493701533 /nfs/dbraw/zinc/70/15/33/493701533.db2.gz QAWJLZXTFKFGPZ-ZDUSSCGKSA-N -2 0 353.352 0.881 20 0 FCADRL NC(=O)c1c[nH]nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000680837079 493731392 /nfs/dbraw/zinc/73/13/92/493731392.db2.gz ADIIHWGMWFVPMP-UHFFFAOYSA-N -2 0 350.356 0.496 20 0 FCADRL CCOC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)n1 ZINC000594461685 546794633 /nfs/dbraw/zinc/79/46/33/546794633.db2.gz BJKXFZOKXNYVCE-UHFFFAOYSA-N -2 0 357.344 0.847 20 0 FCADRL CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@]1(C(=O)[O-])CCOC1 ZINC000594689130 546815165 /nfs/dbraw/zinc/81/51/65/546815165.db2.gz DBADVTMSXFLXMD-GMSGAONNSA-N -2 0 363.310 0.034 20 0 FCADRL C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc21 ZINC000324182152 546847495 /nfs/dbraw/zinc/84/74/95/546847495.db2.gz HZZCPRQGWNKFED-WRWORJQWSA-N -2 0 356.356 0.339 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)cc1C(=O)[O-] ZINC000392230906 547415074 /nfs/dbraw/zinc/41/50/74/547415074.db2.gz WSXKPFKLUVOXSI-UHFFFAOYSA-N -2 0 373.412 0.654 20 0 FCADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000738041055 599727693 /nfs/dbraw/zinc/72/76/93/599727693.db2.gz WQAJQGWEEOLDNY-ZJUUUORDSA-N -2 0 356.356 0.179 20 0 FCADRL CCS[C@@H](C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)C(C)C ZINC000737230633 599729040 /nfs/dbraw/zinc/72/90/40/599729040.db2.gz UNCBDMDCEACNMG-LLVKDONJSA-N -2 0 352.478 0.922 20 0 FCADRL CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccn(CC(=O)[O-])n3)ccc21 ZINC000736138575 599738969 /nfs/dbraw/zinc/73/89/69/599738969.db2.gz JWWVJPYZRLTGCI-UHFFFAOYSA-N -2 0 364.383 0.678 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c(C)c1 ZINC000737703400 599738975 /nfs/dbraw/zinc/73/89/75/599738975.db2.gz WLKJLINPEMNZOH-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL O=C([O-])CSCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000739849581 599797583 /nfs/dbraw/zinc/79/75/83/599797583.db2.gz NENTXYZLSNDGDG-UHFFFAOYSA-N -2 0 361.397 0.471 20 0 FCADRL O=C([O-])COc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1 ZINC000739824583 599799144 /nfs/dbraw/zinc/79/91/44/599799144.db2.gz SAYPTIKGTQHFGI-ZDUSSCGKSA-N -2 0 357.384 0.779 20 0 FCADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)n1 ZINC000738632901 600054231 /nfs/dbraw/zinc/05/42/31/600054231.db2.gz ILVJJSFKTGWVTG-UHFFFAOYSA-N -2 0 366.384 0.547 20 0 FCADRL NC(=O)c1cnc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)s1 ZINC000739184559 600055377 /nfs/dbraw/zinc/05/53/77/600055377.db2.gz SMLAWTIRMOGIQY-UHFFFAOYSA-N -2 0 371.396 0.896 20 0 FCADRL O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1nnc([N-]S(=O)(=O)c2ccccc2)s1 ZINC000739551899 600113810 /nfs/dbraw/zinc/11/38/10/600113810.db2.gz FFUGKDJHGUKZIC-IUCAKERBSA-N -2 0 368.396 0.998 20 0 FCADRL Cn1nnc2cc(C(=O)[N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)ccc21 ZINC000739061856 600163191 /nfs/dbraw/zinc/16/31/91/600163191.db2.gz BHPMFWWVEVRCML-UHFFFAOYSA-N -2 0 360.351 0.785 20 0 FCADRL CCNC(=O)c1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cc1 ZINC000737123814 600232207 /nfs/dbraw/zinc/23/22/07/600232207.db2.gz INBBLBZKNPQBOL-UHFFFAOYSA-N -2 0 352.372 0.967 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cnn(C[C@@H]3CCCO3)c2)c1C(=O)[O-] ZINC000738828207 600233831 /nfs/dbraw/zinc/23/38/31/600233831.db2.gz RQFNPRVIEQCNIP-JTQLQIEISA-N -2 0 355.376 0.593 20 0 FCADRL CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])N1CCCC1=O ZINC000736348544 600241311 /nfs/dbraw/zinc/24/13/11/600241311.db2.gz ZFESZCFEEGPHNV-LLVKDONJSA-N -2 0 374.440 0.898 20 0 FCADRL COc1cc(C=CC(=O)[O-])cc(S(=O)(=O)[N-]c2nnc[nH]2)c1OC ZINC000737870591 600243773 /nfs/dbraw/zinc/24/37/73/600243773.db2.gz FNYZBXNPINHXKW-ONEGZZNKSA-N -2 0 354.344 0.721 20 0 FCADRL O=C([O-])CCSCc1cccc(NC(=O)C(=O)NCc2nnn[n-]2)c1 ZINC000739754514 600341741 /nfs/dbraw/zinc/34/17/41/600341741.db2.gz UKCVLYVJLYEUOX-UHFFFAOYSA-N -2 0 364.387 0.163 20 0 FCADRL Cc1ccnc(S(=O)(=O)[N-]C(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC000738798653 600360608 /nfs/dbraw/zinc/36/06/08/600360608.db2.gz SYNBONJJDDZCNC-UHFFFAOYSA-N -2 0 350.352 0.972 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-])cc1C(N)=O ZINC000738651520 600440557 /nfs/dbraw/zinc/44/05/57/600440557.db2.gz AYPYNYHVLAQHKK-UHFFFAOYSA-N -2 0 357.388 0.289 20 0 FCADRL CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1 ZINC000736869797 600462066 /nfs/dbraw/zinc/46/20/66/600462066.db2.gz SVHDXFQDIGBMNM-NWDGAFQWSA-N -2 0 362.448 0.582 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cccn1Cc1ccncc1 ZINC000739696424 600462148 /nfs/dbraw/zinc/46/21/48/600462148.db2.gz ZHEHKNJSCCFIGP-UHFFFAOYSA-N -2 0 351.384 0.856 20 0 FCADRL C[C@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])NC(=O)c1ccccc1 ZINC000736549501 600462872 /nfs/dbraw/zinc/46/28/72/600462872.db2.gz WDSAULFYQCRHIQ-LLVKDONJSA-N -2 0 356.400 0.506 20 0 FCADRL COc1cccc(CCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1OC ZINC000738095372 600465120 /nfs/dbraw/zinc/46/51/20/600465120.db2.gz YCZRYOXMCASQEC-UHFFFAOYSA-N -2 0 359.400 0.947 20 0 FCADRL CCOC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1 ZINC000737147255 600465630 /nfs/dbraw/zinc/46/56/30/600465630.db2.gz VYPQHTQPBUHSSX-JTQLQIEISA-N -2 0 350.393 0.166 20 0 FCADRL Cc1cccc2c(=O)n(CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cnc12 ZINC000738747860 600465644 /nfs/dbraw/zinc/46/56/44/600465644.db2.gz NNJDOMUGYHJCSN-UHFFFAOYSA-N -2 0 367.383 0.016 20 0 FCADRL CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cc1 ZINC000737135849 600518446 /nfs/dbraw/zinc/51/84/46/600518446.db2.gz LVNXBVAILOSYIQ-LBPRGKRZSA-N -2 0 370.383 0.387 20 0 FCADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)cn1 ZINC000739911824 600531262 /nfs/dbraw/zinc/53/12/62/600531262.db2.gz NIPADJUMRUIVCX-UHFFFAOYSA-N -2 0 364.383 0.661 20 0 FCADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 ZINC000740248878 600577294 /nfs/dbraw/zinc/57/72/94/600577294.db2.gz JHEBNLQVCSIYKC-UHFFFAOYSA-N -2 0 362.323 0.110 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2)cn1 ZINC000392708181 600674077 /nfs/dbraw/zinc/67/40/77/600674077.db2.gz KTQIARZXKHGOJR-UHFFFAOYSA-N -2 0 366.355 0.725 20 0 FCADRL CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000825819467 600679195 /nfs/dbraw/zinc/67/91/95/600679195.db2.gz MBDUSMHJJPPTBZ-UHFFFAOYSA-N -2 0 352.372 0.751 20 0 FCADRL COCCOc1ccc(F)cc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000831774102 600679915 /nfs/dbraw/zinc/67/99/15/600679915.db2.gz OCQFLZKKAJPXDB-UHFFFAOYSA-N -2 0 373.362 0.933 20 0 FCADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)n1 ZINC000833277317 600680372 /nfs/dbraw/zinc/68/03/72/600680372.db2.gz LUVZIADTHXVJJY-UHFFFAOYSA-N -2 0 372.746 0.856 20 0 FCADRL O=C([O-])C[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)c2ccccc21 ZINC000739646303 600859789 /nfs/dbraw/zinc/85/97/89/600859789.db2.gz JXYPKJATVKFLFL-JTQLQIEISA-N -2 0 353.338 0.676 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccnc2N2CCOCC2)cn1 ZINC000833274123 600979913 /nfs/dbraw/zinc/97/99/13/600979913.db2.gz QTMGYSPJGROJKA-UHFFFAOYSA-N -2 0 367.387 0.000 20 0 FCADRL CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n1 ZINC000830556909 600983757 /nfs/dbraw/zinc/98/37/57/600983757.db2.gz KAUGVEDZBAHQPE-UHFFFAOYSA-N -2 0 371.350 0.004 20 0 FCADRL CCOC(=O)c1cc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)ccc1F ZINC000829878161 600986338 /nfs/dbraw/zinc/98/63/38/600986338.db2.gz LJONOOUFTAEKKU-UHFFFAOYSA-N -2 0 372.334 0.479 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)n1 ZINC000833277379 600987737 /nfs/dbraw/zinc/98/77/37/600987737.db2.gz OSNUKUWBZSBXPI-UHFFFAOYSA-N -2 0 374.762 0.588 20 0 FCADRL O=C([O-])C[C@@H]1CSCCN1CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000833220849 601022918 /nfs/dbraw/zinc/02/29/18/601022918.db2.gz BLVNNZNFWJAHDL-SNVBAGLBSA-N -2 0 355.441 0.901 20 0 FCADRL CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000826130089 601142686 /nfs/dbraw/zinc/14/26/86/601142686.db2.gz GBVVYZAKKMHUOV-SECBINFHSA-N -2 0 366.461 0.245 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)C1CCN(c2cnccn2)CC1 ZINC000833228787 601193176 /nfs/dbraw/zinc/19/31/76/601193176.db2.gz ZGDSWRFLWPVVDX-UHFFFAOYSA-N -2 0 356.404 0.004 20 0 FCADRL COC(=O)CN(CC(=O)[O-])C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000831170334 601246053 /nfs/dbraw/zinc/24/60/53/601246053.db2.gz KOJRUNXNAZIRJJ-UHFFFAOYSA-N -2 0 365.317 0.725 20 0 FCADRL NC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC000833083830 601326557 /nfs/dbraw/zinc/32/65/57/601326557.db2.gz OCNUQBAQSAWWOO-ZZXKWVIFSA-N -2 0 350.356 0.267 20 0 FCADRL COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1 ZINC000831192389 601361389 /nfs/dbraw/zinc/36/13/89/601361389.db2.gz KHCVBNVRNDYCSJ-UHFFFAOYSA-N -2 0 358.307 0.089 20 0 FCADRL COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000831074398 601757683 /nfs/dbraw/zinc/75/76/83/601757683.db2.gz XHUAGLTXEGRSIM-SNVBAGLBSA-N -2 0 351.290 0.463 20 0 FCADRL COC(=O)c1nscc1S(=O)(=O)[N-]c1nc(CC(=O)[O-])cs1 ZINC000831471883 601767288 /nfs/dbraw/zinc/76/72/88/601767288.db2.gz YFDMKFLPAAEVRK-UHFFFAOYSA-N -2 0 363.398 0.814 20 0 FCADRL CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000828700635 601769791 /nfs/dbraw/zinc/76/97/91/601769791.db2.gz PKTDWLYSNAIRTG-VHSXEESVSA-N -2 0 366.461 0.245 20 0 FCADRL CNC(=O)Cc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000830997033 601834759 /nfs/dbraw/zinc/83/47/59/601834759.db2.gz NPTRGVBRRTZYEP-UHFFFAOYSA-N -2 0 355.397 0.931 20 0 FCADRL NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1 ZINC000833089640 601854783 /nfs/dbraw/zinc/85/47/83/601854783.db2.gz ZBBZXLCTXKIQAS-UHFFFAOYSA-N -2 0 374.371 0.972 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc(C(=O)[O-])c1F ZINC000832904309 601985054 /nfs/dbraw/zinc/98/50/54/601985054.db2.gz GJGUFZJSZFCMGK-UHFFFAOYSA-N -3 0 357.319 0.914 20 0 FCADRL Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])c1 ZINC000833062346 602155624 /nfs/dbraw/zinc/15/56/24/602155624.db2.gz POJDYBCNOZCIST-UHFFFAOYSA-N -2 0 366.384 0.833 20 0 FCADRL CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-])s1 ZINC000825876484 602186651 /nfs/dbraw/zinc/18/66/51/602186651.db2.gz ZJFJKDGLQVAFBB-QMMMGPOBSA-N -2 0 362.429 0.342 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1C(N)=O ZINC000832654750 602320135 /nfs/dbraw/zinc/32/01/35/602320135.db2.gz WTPWAULDURHPQV-UHFFFAOYSA-N -2 0 369.330 0.827 20 0 FCADRL CC(C)[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1 ZINC000736373616 602671805 /nfs/dbraw/zinc/67/18/05/602671805.db2.gz FSKVWCUIUJZDMY-ZDUSSCGKSA-N -2 0 355.416 0.698 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])c(F)c2)cc1C(N)=O ZINC000833053904 604879788 /nfs/dbraw/zinc/87/97/88/604879788.db2.gz NQTRZIUNIPJFRT-UHFFFAOYSA-N -2 0 369.330 0.080 20 0 FCADRL COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000833723412 604880229 /nfs/dbraw/zinc/88/02/29/604880229.db2.gz CKNILVFOJQIFTQ-UHFFFAOYSA-N -2 0 351.764 0.760 20 0 FCADRL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)NC(=O)[O-])cc1 ZINC000833700648 605231695 /nfs/dbraw/zinc/23/16/95/605231695.db2.gz POYANKPSWAUGRI-GFCCVEGCSA-N -2 0 371.415 0.533 20 0 FCADRL O=C([O-])[C@H](CO)NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000833767868 605280827 /nfs/dbraw/zinc/28/08/27/605280827.db2.gz SDVGQMDMWYYZGF-NSHDSACASA-N -2 0 370.408 0.724 20 0 FCADRL Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1 ZINC000822623560 606710257 /nfs/dbraw/zinc/71/02/57/606710257.db2.gz ZYKXNWTURFRMKV-UHFFFAOYSA-N -2 0 367.322 0.238 20 0 FCADRL NC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cn1 ZINC000325846548 663341417 /nfs/dbraw/zinc/34/14/17/663341417.db2.gz SIDVPKVDEXXMAI-UHFFFAOYSA-N -2 0 360.298 0.146 20 0 FCADRL CC[C@@H](C)C(=O)N[N-]S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000057118565 664221724 /nfs/dbraw/zinc/22/17/24/664221724.db2.gz SIPZMHSYDIEZKD-MRVPVSSYSA-N -2 0 358.372 0.512 20 0 FCADRL COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-] ZINC000912525716 666449772 /nfs/dbraw/zinc/44/97/72/666449772.db2.gz DCJKQJGARAXOOS-UHFFFAOYSA-N -2 0 361.282 0.974 20 0 FCADRL CC(C)C[C@H](NS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2)C(=O)[O-] ZINC000919954814 667208881 /nfs/dbraw/zinc/20/88/81/667208881.db2.gz VFKQHZPFIPIRJW-NSHDSACASA-N -2 0 373.383 0.934 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)cn1 ZINC000759558570 667811896 /nfs/dbraw/zinc/81/18/96/667811896.db2.gz NYJHJFVGBCZFEH-UHFFFAOYSA-N -2 0 356.326 0.165 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1C ZINC000768049245 668067768 /nfs/dbraw/zinc/06/77/68/668067768.db2.gz LGHFIILTJUKYCA-UHFFFAOYSA-N -2 0 370.362 0.576 20 0 FCADRL COC(=O)c1ccc(F)c(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000776437227 668261951 /nfs/dbraw/zinc/26/19/51/668261951.db2.gz DGIDYOOSHPQQFC-SECBINFHSA-N -2 0 363.319 0.209 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1c(Cl)nc2sccn21)C(=O)[O-] ZINC000776441646 668262884 /nfs/dbraw/zinc/26/28/84/668262884.db2.gz NJWGBEMPJXRLLO-SCSAIBSYSA-N -2 0 353.765 0.255 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1c(Cl)nc2sccn21)C(=O)[O-] ZINC000776441645 668262942 /nfs/dbraw/zinc/26/29/42/668262942.db2.gz NJWGBEMPJXRLLO-BYPYZUCNSA-N -2 0 353.765 0.255 20 0 FCADRL C[C@](CNS(=O)(=O)c1cccc(-c2nnco2)c1)(CC(=O)[O-])C(=O)[O-] ZINC000776585795 668274702 /nfs/dbraw/zinc/27/47/02/668274702.db2.gz ZGXRPJHPIOVCIC-CQSZACIVSA-N -2 0 369.355 0.581 20 0 FCADRL CN1CCCc2ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc21 ZINC000776585127 668274798 /nfs/dbraw/zinc/27/47/98/668274798.db2.gz SCEXCAYTLXSPQR-MRXNPFEDSA-N -2 0 370.427 0.913 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc2oc(=O)ccc2c1)C(=O)[O-] ZINC000776636213 668281237 /nfs/dbraw/zinc/28/12/37/668281237.db2.gz VTTXDHHWPRSIFQ-VIFPVBQESA-N -2 0 355.324 0.247 20 0 FCADRL COc1cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cnc1Cl ZINC000776636216 668281402 /nfs/dbraw/zinc/28/14/02/668281402.db2.gz VYELRIXJGRXOOM-LURJTMIESA-N -2 0 352.752 0.197 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2cccc3c2COC3=O)CC[C@@H]1C(=O)[O-] ZINC000776718325 668290313 /nfs/dbraw/zinc/29/03/13/668290313.db2.gz NRKXBLADVYANDN-WPRPVWTQSA-N -2 0 369.351 0.153 20 0 FCADRL O=C(NCc1nnn[n-]1)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC000782687694 668575354 /nfs/dbraw/zinc/57/53/54/668575354.db2.gz PODUPYZGTVRFBF-UHFFFAOYSA-N -2 0 350.282 0.391 20 0 FCADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CCC(N)=O)n1 ZINC000793393229 668926402 /nfs/dbraw/zinc/92/64/02/668926402.db2.gz CWOUEIFZODWYBE-UHFFFAOYSA-N -2 0 370.362 0.705 20 0 FCADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000820565467 669103495 /nfs/dbraw/zinc/10/34/95/669103495.db2.gz ZZNUAZWNUCTBHL-YTEVENLXSA-N -2 0 361.441 0.428 20 0 FCADRL CS(=O)(=O)Nc1ccccc1[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000821145379 669161077 /nfs/dbraw/zinc/16/10/77/669161077.db2.gz WOZZQYUUPUUWDS-UHFFFAOYSA-N -2 0 367.474 0.977 20 0 FCADRL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(-n2nn[n-]c2=O)cc1 ZINC000821198515 669168195 /nfs/dbraw/zinc/16/81/95/669168195.db2.gz NQZZZJOMLBIGPD-LBPRGKRZSA-N -2 0 369.403 0.841 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000815997691 669934263 /nfs/dbraw/zinc/93/42/63/669934263.db2.gz ULGCIQZECZSIOB-BDAKNGLRSA-N -2 0 360.354 0.172 20 0 FCADRL CC(C)(C)OCCS(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000835917327 670020249 /nfs/dbraw/zinc/02/02/49/670020249.db2.gz KFZPGUZGMKIMFV-UHFFFAOYSA-N -2 0 362.370 0.705 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-] ZINC000837283661 670093625 /nfs/dbraw/zinc/09/36/25/670093625.db2.gz GKIXKCWEMXHISY-ZCFIWIBFSA-N -2 0 363.735 0.473 20 0 FCADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000837290947 670095234 /nfs/dbraw/zinc/09/52/34/670095234.db2.gz HYHMWLINPCVBAN-RQJHMYQMSA-N -2 0 364.342 0.835 20 0 FCADRL Cc1ccncc1S(=O)(=O)[N-]C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000842397016 670683286 /nfs/dbraw/zinc/68/32/86/670683286.db2.gz YMMLHGTXAACBPP-JTQLQIEISA-N -2 0 367.349 0.898 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C[C@H]1C(=O)[O-] ZINC000844793034 670944360 /nfs/dbraw/zinc/94/43/60/670944360.db2.gz REURRCLGTPVWRX-HTQZYQBOSA-N -2 0 366.754 0.670 20 0 FCADRL CCO[N-]C(=O)C[N-]S(=O)(=O)c1nc(C)c(Br)s1 ZINC000846003709 671065472 /nfs/dbraw/zinc/06/54/72/671065472.db2.gz LDFDUDDQEBLJMY-UHFFFAOYSA-N -2 0 358.239 0.560 20 0 FCADRL CCOC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1 ZINC000848457048 671277184 /nfs/dbraw/zinc/27/71/84/671277184.db2.gz UDYCKNUNJHQYND-UHFFFAOYSA-N -2 0 356.360 0.284 20 0 FCADRL COC(=O)c1cc(C)c(F)c(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1 ZINC000848675556 671289018 /nfs/dbraw/zinc/28/90/18/671289018.db2.gz FKMHSSHLEUXBBE-UHFFFAOYSA-N -2 0 363.319 0.081 20 0 FCADRL CCc1nc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])no1 ZINC000852736821 671521940 /nfs/dbraw/zinc/52/19/40/671521940.db2.gz OOJNQUSSUQLSBM-GMSGAONNSA-N -2 0 350.297 0.728 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cc1cscn1 ZINC000852958730 671534095 /nfs/dbraw/zinc/53/40/95/671534095.db2.gz RHYYLZBZSVHBTD-SCZZXKLOSA-N -2 0 365.333 0.808 20 0 FCADRL CCc1ccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1C(=O)[O-] ZINC000853062396 671536113 /nfs/dbraw/zinc/53/61/13/671536113.db2.gz NMCVRDFLCRZHMO-NSHDSACASA-N -2 0 357.384 0.811 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)[N-]N2CCOC2=O)cn1 ZINC000862699184 672067947 /nfs/dbraw/zinc/06/79/47/672067947.db2.gz GDQSFRSBUBNDDG-UHFFFAOYSA-N -2 0 371.400 0.379 20 0 FCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)CC=CC1 ZINC000863952467 672163923 /nfs/dbraw/zinc/16/39/23/672163923.db2.gz XLWCPAATIUBMOB-UHFFFAOYSA-N -2 0 353.352 0.684 20 0 FCADRL NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)cc1 ZINC000863954308 672164886 /nfs/dbraw/zinc/16/48/86/672164886.db2.gz VORPSTUFSFKHNC-UHFFFAOYSA-N -2 0 367.383 0.081 20 0 FCADRL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)c1 ZINC000863955199 672165141 /nfs/dbraw/zinc/16/51/41/672165141.db2.gz DCQNRDSGZSNBTN-UHFFFAOYSA-N -2 0 366.395 0.614 20 0 FCADRL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC000863955166 672165282 /nfs/dbraw/zinc/16/52/82/672165282.db2.gz BTOLBWOYCBOITN-GFCCVEGCSA-N -2 0 370.427 0.940 20 0 FCADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000863962210 672169268 /nfs/dbraw/zinc/16/92/68/672169268.db2.gz ZKNBQRNXXOAVNU-CYBMUJFWSA-N -2 0 355.397 0.997 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)c(C(F)(F)F)n1 ZINC000863964049 672170176 /nfs/dbraw/zinc/17/01/76/672170176.db2.gz MNPNNLVZOVMRBF-UHFFFAOYSA-N -2 0 367.305 0.665 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NC2CC(C(=O)[O-])C2)c1 ZINC000864205623 672179791 /nfs/dbraw/zinc/17/97/91/672179791.db2.gz PCYZAEMXFRQUOR-UHFFFAOYSA-N -2 0 369.399 0.610 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cccnc1F ZINC000902065415 675824459 /nfs/dbraw/zinc/82/44/59/675824459.db2.gz LTRQPQAOHZZFTR-IUCAKERBSA-N -2 0 363.267 0.957 20 0 FCADRL O=C(NC[C@@H]1CCCOC1)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000057162510 1196501243 /nfs/dbraw/zinc/50/12/43/1196501243.db2.gz ZDAKCLJPNMTDSJ-LBPRGKRZSA-N -2 0 359.386 0.949 20 0 FCADRL CCO[N-]C(=O)CNc1cc(NCC(=O)[N-]OCC)c2ccncc2n1 ZINC000845718905 1204548245 /nfs/dbraw/zinc/54/82/45/1204548245.db2.gz WQILHVYGLCFQII-UHFFFAOYSA-N -2 0 362.390 0.589 20 0 FCADRL O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)c1ccccc1-c1nn[nH]n1 ZINC001187008966 1206512322 /nfs/dbraw/zinc/51/23/22/1206512322.db2.gz LGXWODIQOBAQEK-UHFFFAOYSA-N -2 0 370.350 0.551 20 0 FCADRL COC(=O)c1cccc(OC)c1COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001223405459 1225703859 /nfs/dbraw/zinc/70/38/59/1225703859.db2.gz DQQWUZNLXNQFCL-TVQRCGJNSA-N -2 0 370.310 0.061 20 0 FCADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)n1 ZINC000826834972 1218908752 /nfs/dbraw/zinc/90/87/52/1218908752.db2.gz ZDDDMXMAPFAIMZ-AWEZNQCLSA-N -2 0 369.385 0.867 20 0 FCADRL COc1ccc2[nH]c(=O)cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2c1 ZINC001226932868 1225858036 /nfs/dbraw/zinc/85/80/36/1225858036.db2.gz STVDOPHGNPRUJS-XPTSAGLGSA-N -2 0 365.294 0.391 20 0 FCADRL CCOC(=O)c1c(C)cc(O)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227213193 1225866299 /nfs/dbraw/zinc/86/62/99/1225866299.db2.gz SPVGRGYBQVSMRT-ZANVPECISA-N -2 0 370.310 0.319 20 0 FCADRL COc1cc2ccc(=O)oc2cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227565122 1225878966 /nfs/dbraw/zinc/87/89/66/1225878966.db2.gz WLANJYGVVFGUMV-RTHLEPHNSA-N -2 0 366.278 0.243 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccccc1C(=O)N1CCCC1)[C@@H](O)C(=O)[O-] ZINC001227778158 1225885216 /nfs/dbraw/zinc/88/52/16/1225885216.db2.gz PKGYBBUMDGLNDZ-SMDDNHRTSA-N -2 0 365.338 0.364 20 0 FCADRL CCOC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(OC)c1 ZINC001228053091 1225894235 /nfs/dbraw/zinc/89/42/35/1225894235.db2.gz SPWMXRRLMBTQSL-NOZJJQNGSA-N -2 0 370.310 0.314 20 0 FCADRL COc1cc(C(C)=O)cc(OC)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228242282 1225904822 /nfs/dbraw/zinc/90/48/22/1225904822.db2.gz SGZSTADJKOOEJG-ZANVPECISA-N -2 0 370.310 0.348 20 0 FCADRL O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1ccc2oc(=O)nc-2[n-]1 ZINC001098212837 1219741305 /nfs/dbraw/zinc/74/13/05/1219741305.db2.gz NGQGRIZCWKABLM-QNSHHTMESA-N -2 0 371.357 0.287 20 0 FCADRL COc1cc(OC)c(C(C)=O)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001229474533 1226013514 /nfs/dbraw/zinc/01/35/14/1226013514.db2.gz WSOLLANBCAOOGS-OTYXRUKQSA-N -2 0 370.310 0.348 20 0 FCADRL COCCOc1ccc(F)cc1S(=O)(=O)[N-]C(=O)CCCC(=O)[O-] ZINC001335428513 1259659069 /nfs/dbraw/zinc/65/90/69/1259659069.db2.gz GPTWPODQQFOTJW-UHFFFAOYSA-N -2 0 363.363 0.911 20 0 FCADRL Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)c1cccc([S-])c1)C2 ZINC001278680748 1260717681 /nfs/dbraw/zinc/71/76/81/1260717681.db2.gz HOGALROVSRESNI-UHFFFAOYSA-N -2 0 370.398 0.052 20 0 FCADRL CCC[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)c1nnn[n-]1 ZINC001566227216 1269624314 /nfs/dbraw/zinc/62/43/14/1269624314.db2.gz QQCFUOLUIIVHDW-SNVBAGLBSA-N -2 0 374.373 0.414 20 0 FCADRL C[C@H]1COC2(CCC2)CN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001576377227 1273204965 /nfs/dbraw/zinc/20/49/65/1273204965.db2.gz XZCSDMBIBCCWRS-JTQLQIEISA-N -2 0 356.390 0.758 20 0 FCADRL CCOC(=O)[C@H]1CCCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001578250719 1275551714 /nfs/dbraw/zinc/55/17/14/1275551714.db2.gz DZLTURDMAOZXGO-LLVKDONJSA-N -2 0 358.362 0.143 20 0 FCADRL C[C@H](C(=O)N1CCc2sccc2C1)S(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001603147545 1287315839 /nfs/dbraw/zinc/31/58/39/1287315839.db2.gz AEHHSLKVSXLJCU-MRVPVSSYSA-N -2 0 369.424 0.917 20 0 FCADRL C[C@@H](C(=O)NCCc1cccs1)S(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001603166877 1287318531 /nfs/dbraw/zinc/31/85/31/1287318531.db2.gz PPQUQJWPNKGZAF-QMMMGPOBSA-N -2 0 357.413 0.691 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC001603187886 1287325240 /nfs/dbraw/zinc/32/52/40/1287325240.db2.gz KIHZWSFNFQIRMA-NGZCFLSTSA-N -2 0 359.375 0.932 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)C1CCN(CC(F)F)CC1 ZINC001603186758 1287324289 /nfs/dbraw/zinc/32/42/89/1287324289.db2.gz BCSMVBHAVCGTAX-BDAKNGLRSA-N -2 0 356.391 0.519 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)cs1 ZINC001603188634 1287325350 /nfs/dbraw/zinc/32/53/50/1287325350.db2.gz ORRXISLMAGOGIS-RNFRBKRXSA-N -2 0 369.442 0.320 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(-n2ccnn2)c1 ZINC001603186816 1287325360 /nfs/dbraw/zinc/32/53/60/1287325360.db2.gz BWQPQTHPPSJIFK-NXEZZACHSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(Cn2ccnn2)c1 ZINC001603188564 1287325181 /nfs/dbraw/zinc/32/51/81/1287325181.db2.gz OFWBEKYVZGQNQW-WDEREUQCSA-N -2 0 366.399 0.495 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1(c2cccc(F)c2)CCOCC1 ZINC001603202447 1287329167 /nfs/dbraw/zinc/32/91/67/1287329167.db2.gz ZULHCYSLJYRMCK-JTQLQIEISA-N -2 0 359.375 0.793 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001603201507 1287329707 /nfs/dbraw/zinc/32/97/07/1287329707.db2.gz HDQBVBLSPBTZGG-WCBMZHEXSA-N -2 0 362.404 0.519 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCc1ccc2c(c1)OC(F)(F)O2 ZINC001603204435 1287331294 /nfs/dbraw/zinc/33/12/94/1287331294.db2.gz OSEZVKOIGUDMKB-SSDOTTSWSA-N -2 0 365.310 0.860 20 0 FCADRL CC(C)(C)C(=O)NCCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001603300426 1287350001 /nfs/dbraw/zinc/35/00/01/1287350001.db2.gz HKECIDVXMUPMBW-UHFFFAOYSA-N -2 0 362.429 0.804 20 0 FCADRL CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)[N-]OCCCC(=O)[O-])=NO2 ZINC001603387459 1287366329 /nfs/dbraw/zinc/36/63/29/1287366329.db2.gz TZZKQFQLIFYYEP-UHFFFAOYSA-N -2 0 357.363 0.665 20 0 FCADRL CC(C)(C)OC(=O)NCCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001603467093 1287380738 /nfs/dbraw/zinc/38/07/38/1287380738.db2.gz DCPGGRWGRXUFDL-VHSXEESVSA-N -2 0 364.420 0.458 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@@H]1COc2cc(F)ccc2C1)C(=O)[O-] ZINC001603660128 1287460798 /nfs/dbraw/zinc/46/07/98/1287460798.db2.gz MWVPLHXAIWZSKT-JTQLQIEISA-N -2 0 359.375 0.934 20 0 FCADRL CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1)C(=O)[O-] ZINC001603724444 1287480252 /nfs/dbraw/zinc/48/02/52/1287480252.db2.gz REJPYZGRJQTMDI-LBPRGKRZSA-N -2 0 352.343 0.562 20 0 FCADRL C[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)C1 ZINC001603752849 1287487173 /nfs/dbraw/zinc/48/71/73/1287487173.db2.gz ZJQYGBXGHWPVGC-AWEZNQCLSA-N -2 0 369.378 0.881 20 0 FCADRL O=C(NCC1(Nc2ccc(-c3nn[nH]n3)nn2)CC1)c1ncccc1O ZINC001582394389 1281455841 /nfs/dbraw/zinc/45/58/41/1281455841.db2.gz IPIKBSFRFGUCJE-UHFFFAOYSA-N -2 0 353.346 0.132 20 0 FCADRL O=C(c1ncccc1O)N1CCC(Nc2nccnc2-c2nn[nH]n2)CC1 ZINC001582751554 1281976083 /nfs/dbraw/zinc/97/60/83/1281976083.db2.gz LJSGPXQTDBEFCC-UHFFFAOYSA-N -2 0 367.373 0.474 20 0 FCADRL O=C(c1ncccc1O)N1CCC[C@@H](Nc2nccnc2-c2nn[nH]n2)C1 ZINC001582751703 1281976430 /nfs/dbraw/zinc/97/64/30/1281976430.db2.gz SDVCGYZMBVVHOB-SNVBAGLBSA-N -2 0 367.373 0.474 20 0 FCADRL O=C(c1nc[n-]c(=O)c1Br)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001635138884 1282383562 /nfs/dbraw/zinc/38/35/62/1282383562.db2.gz VIXNEDTYMVDVSR-LURJTMIESA-N -2 0 369.179 0.788 20 0 FCADRL C[C@H](NC(=O)C(=O)N1CCC(CC(=O)[O-])CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001604255695 1287593696 /nfs/dbraw/zinc/59/36/96/1287593696.db2.gz JJIPMUJNSBACPQ-WCFLWFBJSA-N -2 0 368.430 0.951 20 0 FCADRL C[C@@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001590247016 1283377327 /nfs/dbraw/zinc/37/73/27/1283377327.db2.gz IBVPENVFAJJMIJ-NXEZZACHSA-N -2 0 350.404 0.893 20 0 FCADRL CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)c1 ZINC001590365547 1283505095 /nfs/dbraw/zinc/50/50/95/1283505095.db2.gz QGWVVAXQCQIOFT-MRVPVSSYSA-N -2 0 356.346 0.956 20 0 FCADRL COc1cc(-c2nn[nH]n2)ccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001591495523 1284673559 /nfs/dbraw/zinc/67/35/59/1284673559.db2.gz RHXKHFPWGBUZCF-UHFFFAOYSA-N -2 0 364.343 0.702 20 0 FCADRL COc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001591647750 1284777958 /nfs/dbraw/zinc/77/79/58/1284777958.db2.gz GLRPIIXRVDQNHJ-UHFFFAOYSA-N -2 0 373.394 0.923 20 0 FCADRL Cc1c([C@H](C)NCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)cnn1C ZINC001591814706 1284923649 /nfs/dbraw/zinc/92/36/49/1284923649.db2.gz WJCXVJAOEZLYLP-QMMMGPOBSA-N -2 0 354.378 0.508 20 0 FCADRL O=C([O-])[C@@H]1N(S(=O)(=O)c2ccsc2-c2nnn[n-]2)CC12CCC2 ZINC001593276130 1286059613 /nfs/dbraw/zinc/05/96/13/1286059613.db2.gz GYXSDJKUSCPMLH-VIFPVBQESA-N -2 0 355.401 0.556 20 0 FCADRL COC(=O)C12CCC(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])(CC1)C2 ZINC001598729118 1286402710 /nfs/dbraw/zinc/40/27/10/1286402710.db2.gz RKUVIIAJFQVUKY-UHFFFAOYSA-N -2 0 361.416 0.667 20 0 FCADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O ZINC001600015039 1286423958 /nfs/dbraw/zinc/42/39/58/1286423958.db2.gz NLIFBUZIJKIXFR-WKEGUHRASA-N -2 0 351.764 0.459 20 0 FCADRL Cc1c(CCC(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])cnn1C ZINC001600011200 1286424079 /nfs/dbraw/zinc/42/40/79/1286424079.db2.gz GUYHEJXKYWDVJX-UHFFFAOYSA-N -2 0 358.401 0.321 20 0 FCADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)NCC[C@H](O)C(=O)[O-] ZINC001600015586 1286424426 /nfs/dbraw/zinc/42/44/26/1286424426.db2.gz YVHWSBGHMOKERI-VIFPVBQESA-N -2 0 351.764 0.461 20 0 FCADRL Cc1c(NC(=O)c2nc[n-]c(=O)c2Br)cnn1CC(=O)[O-] ZINC001600048994 1286432555 /nfs/dbraw/zinc/43/25/55/1286432555.db2.gz IDLKIYLSTILGQQ-UHFFFAOYSA-N -2 0 356.136 0.787 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])c(C)n1Cc1ccncc1 ZINC001600096182 1286440704 /nfs/dbraw/zinc/44/07/04/1286440704.db2.gz DSRZHMLEIVJGBY-UHFFFAOYSA-N -2 0 351.384 0.692 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])c1F ZINC001600112255 1286442522 /nfs/dbraw/zinc/44/25/22/1286442522.db2.gz STLSVMIYWPTQSP-JTQLQIEISA-N -2 0 361.347 0.697 20 0 FCADRL Cc1cc(C(=O)[O-])cc(Cl)c1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001600112304 1286442709 /nfs/dbraw/zinc/44/27/09/1286442709.db2.gz MAXDBEZJWSIUHY-JTQLQIEISA-N -2 0 370.745 0.597 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC[C@@H](C)C[C@H]3C(=O)[O-])cc2=O)n1 ZINC001600181746 1286451078 /nfs/dbraw/zinc/45/10/78/1286451078.db2.gz NVYILSMEJPMECO-RNCFNFMXSA-N -2 0 359.386 0.898 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3C[C@H](C)[C@@](C)(C(=O)[O-])C3)cc2=O)n1 ZINC001600181291 1286451334 /nfs/dbraw/zinc/45/13/34/1286451334.db2.gz CBDGRARDTWIRIV-XYZCENFISA-N -2 0 359.386 0.755 20 0 FCADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001600224800 1286454577 /nfs/dbraw/zinc/45/45/77/1286454577.db2.gz QITFQEGZTRPAGC-QPUJVOFHSA-N -2 0 361.347 0.600 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)c(C(=O)[O-])[nH]1 ZINC001600281549 1286467458 /nfs/dbraw/zinc/46/74/58/1286467458.db2.gz GQBTUIDDMNZNCJ-UHFFFAOYSA-N -2 0 354.388 0.862 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)oc1C(=O)[O-] ZINC001600297402 1286471775 /nfs/dbraw/zinc/47/17/75/1286471775.db2.gz OKLMLFXGZWFOOQ-VHSXEESVSA-N -2 0 353.356 0.628 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)CCc2cnn(C)c2C)oc1C(=O)[O-] ZINC001600298066 1286472380 /nfs/dbraw/zinc/47/23/80/1286472380.db2.gz ZXWCNTFECHSRHL-UHFFFAOYSA-N -2 0 355.372 0.766 20 0 FCADRL Cc1ccc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])cc1S(C)(=O)=O ZINC001600442040 1286488839 /nfs/dbraw/zinc/48/88/39/1286488839.db2.gz WSVLRXRRLPBWTB-UHFFFAOYSA-N -2 0 358.372 0.250 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC(C)(C)OC[C@H]2C(=O)[O-])c(C(=O)[O-])c1 ZINC001600475254 1286492729 /nfs/dbraw/zinc/49/27/29/1286492729.db2.gz SHHYTGPOMKYKPS-NSHDSACASA-N -2 0 357.384 0.946 20 0 FCADRL Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1c(C(=O)[O-])cnn1C ZINC001600484203 1286497292 /nfs/dbraw/zinc/49/72/92/1286497292.db2.gz USRFXUPZLRCGTQ-UHFFFAOYSA-N -2 0 373.412 0.631 20 0 FCADRL Cc1cccc(-n2cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])nn2)c1 ZINC001600509358 1286500838 /nfs/dbraw/zinc/50/08/38/1286500838.db2.gz UJARGZPVZHGIQF-UHFFFAOYSA-N -2 0 366.399 0.746 20 0 FCADRL Cc1cccc(CC(=O)[N-]S(=O)(=O)CC(=O)[O-])c1Br ZINC001600525080 1286502052 /nfs/dbraw/zinc/50/20/52/1286502052.db2.gz VHYSSCVSCCCCCL-UHFFFAOYSA-N -2 0 350.190 0.831 20 0 FCADRL Cc1ccccc1CCNC(=O)[C@H](C)S(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001600579495 1286509460 /nfs/dbraw/zinc/50/94/60/1286509460.db2.gz GWEIPBRNUBHFSK-NSHDSACASA-N -2 0 365.411 0.937 20 0 FCADRL Cc1nc(-c2ccc(C)c(NC(=O)C(=O)[N-]OCCCC(=O)[O-])c2)n[nH]1 ZINC001600676206 1286526336 /nfs/dbraw/zinc/52/63/36/1286526336.db2.gz LQEOUWWWTTXFMB-UHFFFAOYSA-N -2 0 361.358 0.940 20 0 FCADRL Cc1ncc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccn2)cc1C(=O)[O-] ZINC001600746778 1286536688 /nfs/dbraw/zinc/53/66/88/1286536688.db2.gz JTMTWRCVQVBAAY-UHFFFAOYSA-N -2 0 364.383 0.986 20 0 FCADRL Cc1nc(-c2ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])cc2)n[nH]1 ZINC001600790879 1286545482 /nfs/dbraw/zinc/54/54/82/1286545482.db2.gz WRFZYYHAYCELHN-BDAKNGLRSA-N -2 0 366.399 0.949 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]1CCCO1 ZINC001600834395 1286553225 /nfs/dbraw/zinc/55/32/25/1286553225.db2.gz OLPWCDKBDOEMTQ-UWVGGRQHSA-N -2 0 361.372 0.675 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)CCOC[C@@H]1CCCO1 ZINC001600834479 1286553381 /nfs/dbraw/zinc/55/33/81/1286553381.db2.gz RSQJDZQETGXCPJ-JTQLQIEISA-N -2 0 361.372 0.677 20 0 FCADRL Cc1oc(CN(C)C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600840077 1286555185 /nfs/dbraw/zinc/55/51/85/1286555185.db2.gz LRPJNXXYMYVHFU-VHSXEESVSA-N -2 0 352.343 0.614 20 0 FCADRL Cn1cc(C(=O)CCC(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cn1 ZINC001600927853 1286572110 /nfs/dbraw/zinc/57/21/10/1286572110.db2.gz HZKSRURWRUTLJE-UHFFFAOYSA-N -2 0 355.328 0.179 20 0 FCADRL Cn1cc([C@@H](NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])C(=O)[O-])cn1 ZINC001600938741 1286574207 /nfs/dbraw/zinc/57/42/07/1286574207.db2.gz DNPFHDRQBVIZIN-LLVKDONJSA-N -2 0 357.319 0.362 20 0 FCADRL Cn1cc(C[C@@H](CNS(=O)(=O)c2ccsc2C(=O)[O-])C(=O)[O-])cn1 ZINC001600949134 1286578045 /nfs/dbraw/zinc/57/80/45/1286578045.db2.gz YLOABVFLPVZEQY-VIFPVBQESA-N -2 0 373.412 0.402 20 0 FCADRL Cn1cc(S(=O)(=O)N=c2nc(C(F)(F)F)[n-]n2C)cc1C(=O)[O-] ZINC001600969679 1286586096 /nfs/dbraw/zinc/58/60/96/1286586096.db2.gz LOFSLWXWUFMBFB-UHFFFAOYSA-N -2 0 353.282 0.093 20 0 FCADRL Cn1nc(C(=O)[O-])cc1NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001601002551 1286594237 /nfs/dbraw/zinc/59/42/37/1286594237.db2.gz BXFJCQVVSUSZOU-UHFFFAOYSA-N -2 0 374.325 0.314 20 0 FCADRL Cn1[n-]c(C(F)(F)F)nc1=NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001601008004 1286596491 /nfs/dbraw/zinc/59/64/91/1286596491.db2.gz REQIKHVREVYCQL-UHFFFAOYSA-N -2 0 368.268 0.894 20 0 FCADRL NC(=O)Cc1ccc(CNS(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC001601152623 1286660845 /nfs/dbraw/zinc/66/08/45/1286660845.db2.gz HOBQCPUWXRWNCL-UHFFFAOYSA-N -2 0 355.397 0.348 20 0 FCADRL NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001601162772 1286667169 /nfs/dbraw/zinc/66/71/69/1286667169.db2.gz MBAAYWDBKBEDGY-UHFFFAOYSA-N -2 0 362.363 0.744 20 0 FCADRL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)Cc2cccc(C(=O)[O-])c2)s1 ZINC001601167402 1286669302 /nfs/dbraw/zinc/66/93/02/1286669302.db2.gz OOPSBFJCSVVFHC-UHFFFAOYSA-N -2 0 368.392 0.593 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)/C=C/c1cncc(F)c1 ZINC001601244651 1286706435 /nfs/dbraw/zinc/70/64/35/1286706435.db2.gz SAIWNIGZMPSZHN-OWOJBTEDSA-N -2 0 357.344 0.894 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)CCCNC(=O)C2CC2)c1 ZINC001601267968 1286710003 /nfs/dbraw/zinc/71/00/03/1286710003.db2.gz KRKGADVFDFWJAO-UHFFFAOYSA-N -2 0 354.384 0.496 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)CCCc2cccnc2)CC1 ZINC001601271625 1286710196 /nfs/dbraw/zinc/71/01/96/1286710196.db2.gz VNRNZXZRYSRGRM-UHFFFAOYSA-N -2 0 355.416 0.562 20 0 FCADRL O=C([O-])c1coc(CNC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC001601327642 1286729068 /nfs/dbraw/zinc/72/90/68/1286729068.db2.gz SVNDCHULPKARFH-UHFFFAOYSA-N -2 0 374.321 0.851 20 0 FCADRL O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1 ZINC001601379164 1286736879 /nfs/dbraw/zinc/73/68/79/1286736879.db2.gz ZUWNSPLYLVCQNR-NWDGAFQWSA-N -2 0 353.338 0.898 20 0 FCADRL O=C([O-])[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccc(Br)cc1 ZINC001601395158 1286740548 /nfs/dbraw/zinc/74/05/48/1286740548.db2.gz DBLWLBXNMKTSAT-ZETCQYMHSA-N -2 0 369.131 0.601 20 0 FCADRL O=C([O-])[C@H](Cn1cncn1)NC(=O)c1cc(Br)cc(F)c1[O-] ZINC001601428130 1286744957 /nfs/dbraw/zinc/74/49/57/1286744957.db2.gz HEUBMQFEMYQMBN-VIFPVBQESA-N -2 0 373.138 0.769 20 0 FCADRL O=C([O-])[C@@H](CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)c1ccccc1 ZINC001601454380 1286754809 /nfs/dbraw/zinc/75/48/09/1286754809.db2.gz CUKFOPFJYZBSQB-AWEZNQCLSA-N -2 0 368.349 0.864 20 0 FCADRL O=C([O-])c1ccc(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)s1 ZINC001601535755 1286781409 /nfs/dbraw/zinc/78/14/09/1286781409.db2.gz NMKDXWOXAZNJGY-SNVBAGLBSA-N -2 0 354.384 0.680 20 0 FCADRL O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001601805923 1286839139 /nfs/dbraw/zinc/83/91/39/1286839139.db2.gz ABRCQJRZWOFCRV-AXFHLTTASA-N -2 0 358.420 0.663 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)CCO1 ZINC001601850044 1286850397 /nfs/dbraw/zinc/85/03/97/1286850397.db2.gz LTYZUDYIJSEPCJ-GFCCVEGCSA-N -2 0 355.368 0.277 20 0 FCADRL O=C([O-])C=Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cc1 ZINC001601883707 1286861380 /nfs/dbraw/zinc/86/13/80/1286861380.db2.gz ONWFRABMPDUIHA-ACVFHECNSA-N -2 0 365.367 0.482 20 0 FCADRL O=C([O-])C[C@@H](O)CNC(=O)c1cccc(I)c1[O-] ZINC001601911666 1286868714 /nfs/dbraw/zinc/86/87/14/1286868714.db2.gz WPOWTIKZFXSUNH-ZCFIWIBFSA-N -2 0 365.123 0.562 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)N[C@H](Cc2ccc(O)cc2)C(=O)[O-])CC1 ZINC001601923543 1286872162 /nfs/dbraw/zinc/87/21/62/1286872162.db2.gz BCOZFCPDSAHEAH-GFCCVEGCSA-N -2 0 357.384 0.562 20 0 FCADRL O=C([O-])C[C@]1(NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CCCOC1 ZINC001601932384 1286875260 /nfs/dbraw/zinc/87/52/60/1286875260.db2.gz YKFTVHGSJIHBLX-MRXNPFEDSA-N -2 0 362.342 0.020 20 0 FCADRL O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CCc3c(cccc3C(=O)[O-])C2)C1 ZINC001601949637 1286882056 /nfs/dbraw/zinc/88/20/56/1286882056.db2.gz ROOPIJPCHJYFPR-LBPRGKRZSA-N -2 0 374.393 0.983 20 0 FCADRL O=C([O-])CN(CCN1CCOCC1)C(=O)Cc1ccccc1C(=O)[O-] ZINC001602054810 1286913500 /nfs/dbraw/zinc/91/35/00/1286913500.db2.gz CSXYJMUCQOFYAB-UHFFFAOYSA-N -2 0 350.371 0.173 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC001602097890 1286935529 /nfs/dbraw/zinc/93/55/29/1286935529.db2.gz XYBOIAGFUUGSNM-GFCCVEGCSA-N -2 0 366.395 0.059 20 0 FCADRL O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)C2(C(=O)[O-])CC2)cc1 ZINC001602098154 1286935729 /nfs/dbraw/zinc/93/57/29/1286935729.db2.gz NCDAMUBZHRDVNM-UHFFFAOYSA-N -2 0 355.368 0.167 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cc1 ZINC001602131357 1286944226 /nfs/dbraw/zinc/94/42/26/1286944226.db2.gz QMLGOYJFRPYJQZ-LLVKDONJSA-N -2 0 366.399 0.706 20 0 FCADRL O=C([O-])Cc1cccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)F)c1 ZINC001602142236 1286946575 /nfs/dbraw/zinc/94/65/75/1286946575.db2.gz SHNNDIRFTIQVQS-SECBINFHSA-N -2 0 351.327 0.948 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc2c1OCCO2 ZINC001602292535 1286982995 /nfs/dbraw/zinc/98/29/95/1286982995.db2.gz TYARFOMVJXEOKW-IAZYJMLFSA-N -2 0 369.351 0.107 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CCCNC(=O)c2cccs2)on1 ZINC001602295793 1286986556 /nfs/dbraw/zinc/98/65/56/1286986556.db2.gz VSDRYUHSQPUMRN-UHFFFAOYSA-N -2 0 359.385 0.533 20 0 FCADRL O=C([O-])c1cn([C@@H]2CCN(C(=O)NCc3ccc(C(=O)[O-])cc3)C2)nn1 ZINC001602341376 1286989346 /nfs/dbraw/zinc/98/93/46/1286989346.db2.gz PJYWIXBPNIPQQU-GFCCVEGCSA-N -2 0 359.342 0.831 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)c2nnc3ccccc3n2)cc1 ZINC001602355284 1286990935 /nfs/dbraw/zinc/99/09/35/1286990935.db2.gz UWWNZGBHGVSHRS-UHFFFAOYSA-N -2 0 372.362 0.983 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)N[C@@H](Cc2ncccn2)C(=O)[O-])cc1 ZINC001602354779 1286991111 /nfs/dbraw/zinc/99/11/11/1286991111.db2.gz FXSSOIWEYNEMQA-LBPRGKRZSA-N -2 0 365.367 0.290 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CCC(F)(F)[C@@H](C(=O)[O-])C2)cn1 ZINC001602395257 1286994973 /nfs/dbraw/zinc/99/49/73/1286994973.db2.gz UIGSQHFFXBFEAB-MRVPVSSYSA-N -2 0 350.299 0.510 20 0 FCADRL O=C([O-])c1cn(C2CCN(C(=O)NC[C@@H](C(=O)[O-])C3CCC3)CC2)nn1 ZINC001602495330 1287013832 /nfs/dbraw/zinc/01/38/32/1287013832.db2.gz BRUNCAWVYGBFDL-GFCCVEGCSA-N -2 0 365.390 0.824 20 0 FCADRL O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001602507628 1287019041 /nfs/dbraw/zinc/01/90/41/1287019041.db2.gz FTIOTBJCNWFYST-JTQLQIEISA-N -2 0 357.319 0.221 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)C(F)(F)F)c1 ZINC001602557021 1287025967 /nfs/dbraw/zinc/02/59/67/1287025967.db2.gz OKYFRDKPHIYHCE-RXMQYKEDSA-N -2 0 353.221 0.815 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)CC2)cc1Cl ZINC001602637766 1287043970 /nfs/dbraw/zinc/04/39/70/1287043970.db2.gz HAYMZMVURBHEHK-QMMMGPOBSA-N -2 0 374.802 0.759 20 0 FCADRL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])ccn1 ZINC001605193782 1287906123 /nfs/dbraw/zinc/90/61/23/1287906123.db2.gz MHTMKUJAZRFBLZ-NSHDSACASA-N -2 0 358.372 0.571 20 0 FCADRL CCO[C@@H]1C[C@](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)(C(=O)[O-])C1(C)C ZINC001605610285 1288032942 /nfs/dbraw/zinc/03/29/42/1288032942.db2.gz KKBWTPULCYCFNY-YGRLFVJLSA-N -2 0 360.388 0.650 20 0 FCADRL CCOc1cn(-c2ccccc2)nc1C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001605714433 1288057691 /nfs/dbraw/zinc/05/76/91/1288057691.db2.gz JTOSVSJPPGEYLT-SNVBAGLBSA-N -2 0 367.383 0.804 20 0 FCADRL CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@H](Oc1ccccc1)C(=O)[O-] ZINC001605734599 1288066787 /nfs/dbraw/zinc/06/67/87/1288066787.db2.gz QGBSFGUMFWHFPI-GFCCVEGCSA-N -2 0 364.445 0.861 20 0 FCADRL COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC001606325944 1288262485 /nfs/dbraw/zinc/26/24/85/1288262485.db2.gz QIRQAQKSHNZOQB-LURJTMIESA-N -2 0 359.253 0.538 20 0 FCADRL COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC001606325945 1288262848 /nfs/dbraw/zinc/26/28/48/1288262848.db2.gz QIRQAQKSHNZOQB-ZCFIWIBFSA-N -2 0 359.253 0.538 20 0 FCADRL COC(=O)[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001606401258 1288287754 /nfs/dbraw/zinc/28/77/54/1288287754.db2.gz UMMBIMSMIPZQEE-IUCAKERBSA-N -2 0 359.356 0.762 20 0 FCADRL COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001606510186 1288352923 /nfs/dbraw/zinc/35/29/23/1288352923.db2.gz AGTODCMWIHNYMD-WCQYABFASA-N -2 0 369.395 0.920 20 0 FCADRL COC(=O)[C@@H]1[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)C1(F)F ZINC001606513649 1288354471 /nfs/dbraw/zinc/35/44/71/1288354471.db2.gz BGIWNYIJGGOUPO-FSPLSTOPSA-N -2 0 373.717 0.964 20 0 FCADRL COC(=O)c1cc(NC(=O)C(=O)[N-]OC/C=C/Cl)ccc1C(=O)[O-] ZINC001606548055 1288376753 /nfs/dbraw/zinc/37/67/53/1288376753.db2.gz HCUUUMZXLCETLE-GORDUTHDSA-N -2 0 356.718 0.910 20 0 FCADRL COC(=O)c1cc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)ccc1C(=O)[O-] ZINC001606548324 1288377261 /nfs/dbraw/zinc/37/72/61/1288377261.db2.gz UYFUBAFFBBBRBG-VIFPVBQESA-N -2 0 366.326 0.194 20 0 FCADRL COC(=O)c1ccoc1S(=O)(=O)[N-][C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001606622869 1288414491 /nfs/dbraw/zinc/41/44/91/1288414491.db2.gz HJJYCVYBULOZIO-VOZQYIJBSA-N -2 0 373.383 0.757 20 0 FCADRL CO[C@@H]1CCN(C(=O)c2nc[n-]c(=O)c2Br)[C@H](C(=O)[O-])C1 ZINC001606756005 1288492742 /nfs/dbraw/zinc/49/27/42/1288492742.db2.gz ZFKQXXRZERICIV-RQJHMYQMSA-N -2 0 360.164 0.649 20 0 FCADRL COC[C@@](C)(CC(=O)[O-])NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001606779261 1288510268 /nfs/dbraw/zinc/51/02/68/1288510268.db2.gz ISSZZZCFEZUJBA-SUMWQHHRSA-N -2 0 363.370 0.702 20 0 FCADRL COCCOc1ccc(S(=O)(=O)[N-]c2nnc(CC(=O)[O-])[nH]2)cc1 ZINC001606915330 1288561188 /nfs/dbraw/zinc/56/11/88/1288561188.db2.gz KXLZDCJYOAUJJG-UHFFFAOYSA-N -2 0 356.360 0.258 20 0 FCADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2nc(N(C)C)n[nH]2)c1 ZINC001606941917 1288571097 /nfs/dbraw/zinc/57/10/97/1288571097.db2.gz OOASWYSPVYFWGY-UHFFFAOYSA-N -2 0 355.376 0.516 20 0 FCADRL O=C([O-])CN(Cc1ccccn1)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001606958420 1288574554 /nfs/dbraw/zinc/57/45/54/1288574554.db2.gz UIZKBNIRUXGKNK-UHFFFAOYSA-N -2 0 364.343 0.130 20 0 FCADRL O=C([O-])[C@H](CCF)[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001606960908 1288576567 /nfs/dbraw/zinc/57/65/67/1288576567.db2.gz UYJJFJNFDSFMRN-QMMMGPOBSA-N -2 0 365.293 0.236 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001606961138 1288576712 /nfs/dbraw/zinc/57/67/12/1288576712.db2.gz XDQKEVDFWFONHC-RNSXUZJQSA-N -2 0 353.360 0.334 20 0 FCADRL COCc1nocc1C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001606982901 1288581115 /nfs/dbraw/zinc/58/11/15/1288581115.db2.gz ZKCYGDYVJCXJFX-UHFFFAOYSA-N -2 0 354.340 0.779 20 0 FCADRL COc1ccc([C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C(=O)[O-])cc1 ZINC001607227700 1288687270 /nfs/dbraw/zinc/68/72/70/1288687270.db2.gz YMJNGGKYIKXXSI-LBPRGKRZSA-N -2 0 350.331 0.420 20 0 FCADRL COc1ccc(S(=O)(=O)N2[C@@H](C)SC[C@@H]2C(=O)[O-])cc1C(=O)[O-] ZINC001607284541 1288692670 /nfs/dbraw/zinc/69/26/70/1288692670.db2.gz HIMDISCPLHYZHE-GMSGAONNSA-N -2 0 361.397 0.930 20 0 FCADRL COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)c(CC(=O)[O-])c1 ZINC001607284899 1288693215 /nfs/dbraw/zinc/69/32/15/1288693215.db2.gz CIVOHJKVDCXOKV-JTQLQIEISA-N -2 0 357.384 0.808 20 0 FCADRL COc1cccc([C@H](NS(=O)(=O)c2ccc(C(=O)[O-])nc2)C(=O)[O-])c1 ZINC001607312810 1288698463 /nfs/dbraw/zinc/69/84/63/1288698463.db2.gz JMLRAFMXTPEPLT-ZDUSSCGKSA-N -2 0 366.351 0.893 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001607376383 1288702086 /nfs/dbraw/zinc/70/20/86/1288702086.db2.gz DDKDPEPTOOMGKJ-JOYOIKCWSA-N -2 0 374.390 0.664 20 0 FCADRL Cc1ccc(C2(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])CCOCC2)cc1 ZINC001607765766 1288738211 /nfs/dbraw/zinc/73/82/11/1288738211.db2.gz RVPNWXWJJOTWRZ-LBPRGKRZSA-N -2 0 355.412 0.962 20 0 FCADRL Cn1cc(C[C@@H](CNS(=O)(=O)CC2(C(=O)[O-])CCCC2)C(=O)[O-])cn1 ZINC001608109230 1288771094 /nfs/dbraw/zinc/77/10/94/1288771094.db2.gz AAOICQWJJJHDQH-LBPRGKRZSA-N -2 0 373.431 0.228 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)cc1C(=O)[O-] ZINC001608120452 1288774183 /nfs/dbraw/zinc/77/41/83/1288774183.db2.gz XIKUSPCQXYWKKE-UHFFFAOYSA-N -2 0 370.408 0.953 20 0 FCADRL Cn1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)CC(C)(C)C)cc1C(=O)[O-] ZINC001608121812 1288775165 /nfs/dbraw/zinc/77/51/65/1288775165.db2.gz FGJRUTBAVHGXEA-GHMZBOCLSA-N -2 0 362.404 0.252 20 0 FCADRL O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1n[nH]c(=O)[n-]1 ZINC001608356933 1288829653 /nfs/dbraw/zinc/82/96/53/1288829653.db2.gz SGPRIIAOGUYPRF-NSHDSACASA-N -2 0 361.383 0.896 20 0 FCADRL O=C([O-])[C@H](CNS(=O)(=O)CC1(C(=O)[O-])CCCC1)Cc1ccccn1 ZINC001608538306 1288855140 /nfs/dbraw/zinc/85/51/40/1288855140.db2.gz ISPBXWMMZJTBLS-LBPRGKRZSA-N -2 0 370.427 0.889 20 0 FCADRL O=C([O-])[C@@]1(O)CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])C1 ZINC001608578795 1288857047 /nfs/dbraw/zinc/85/70/47/1288857047.db2.gz LNCJAVXDQGOEFC-LLVKDONJSA-N -2 0 355.290 0.621 20 0 FCADRL O=C([O-])CCN(C1CCOCC1)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001608720784 1288869118 /nfs/dbraw/zinc/86/91/18/1288869118.db2.gz DXTFRFIEIPDNGT-UHFFFAOYSA-N -2 0 358.372 0.424 20 0 FCADRL O=C([O-])CCN(C(=O)C(=O)Nc1ccccc1C(=O)[O-])C1CCOCC1 ZINC001608720465 1288869372 /nfs/dbraw/zinc/86/93/72/1288869372.db2.gz PCPCZZNYLVWDGT-UHFFFAOYSA-N -2 0 364.354 0.806 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])c[nH]1 ZINC001608860847 1288877155 /nfs/dbraw/zinc/87/71/55/1288877155.db2.gz CNNFANTXTVYTGG-NSHDSACASA-N -2 0 352.368 0.935 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CCn2ccc(C(F)(F)F)n2)on1 ZINC001608861363 1288877262 /nfs/dbraw/zinc/87/72/62/1288877262.db2.gz GNGHQRFLNIACDX-UHFFFAOYSA-N -2 0 354.266 0.567 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])c[nH]1 ZINC001608860846 1288877948 /nfs/dbraw/zinc/87/79/48/1288877948.db2.gz CNNFANTXTVYTGG-LLVKDONJSA-N -2 0 352.368 0.935 20 0 FCADRL O=C([O-])c1noc2c1CN(S(=O)(=O)c1ccc(C(=O)[O-])nc1)CC2 ZINC001608909999 1288878524 /nfs/dbraw/zinc/87/85/24/1288878524.db2.gz OWQSDNIOGNEIEA-UHFFFAOYSA-N -2 0 353.312 0.213 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)NCCc2cccc(C(=O)[O-])n2)c1 ZINC001608938482 1288879843 /nfs/dbraw/zinc/87/98/43/1288879843.db2.gz OKHSDMOUSSUZDD-UHFFFAOYSA-N -2 0 350.352 0.999 20 0 FCADRL CC1(C(=O)[O-])CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)CC1 ZINC001609142919 1288945061 /nfs/dbraw/zinc/94/50/61/1288945061.db2.gz SEOJUJFSEOJOHA-UHFFFAOYSA-N -2 0 352.376 0.137 20 0 FCADRL CC(=O)CCc1ccc(OCCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1 ZINC001609572946 1289235391 /nfs/dbraw/zinc/23/53/91/1289235391.db2.gz GJAAPWRIJBMYQG-LBPRGKRZSA-N -2 0 371.411 0.896 20 0 FCADRL O=C(OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@@H](O)C1CCCCC1 ZINC001609575737 1289235950 /nfs/dbraw/zinc/23/59/50/1289235950.db2.gz GEWDTYXCIRPDFW-ZDUSSCGKSA-N -2 0 373.373 0.599 20 0 FCADRL O=C(OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@@H]1CC12CCOCC2 ZINC001609575731 1289237020 /nfs/dbraw/zinc/23/70/20/1289237020.db2.gz FXAQWWPZVVLLHQ-NSHDSACASA-N -2 0 371.357 0.475 20 0 FCADRL CC(=O)N1c2ccccc2C[C@H]1C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001609611808 1289263660 /nfs/dbraw/zinc/26/36/60/1289263660.db2.gz KCHNJDZDIOOKIN-ZDUSSCGKSA-N -2 0 368.411 0.521 20 0 FCADRL CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001609621633 1289265712 /nfs/dbraw/zinc/26/57/12/1289265712.db2.gz SKBHIOZYVKTWPD-SNVBAGLBSA-N -2 0 372.399 0.293 20 0 FCADRL CC(=O)Nc1ccc(CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])cc1 ZINC001609624224 1289267379 /nfs/dbraw/zinc/26/73/79/1289267379.db2.gz YZFWJKXPWRGICU-UWVGGRQHSA-N -2 0 356.400 0.743 20 0 FCADRL CC(=O)Nc1ccncc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001609626127 1289267690 /nfs/dbraw/zinc/26/76/90/1289267690.db2.gz XPHVDBMKNGLOFS-UHFFFAOYSA-N -2 0 365.367 0.726 20 0 FCADRL CC(=O)c1cccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001609629664 1289268257 /nfs/dbraw/zinc/26/82/57/1289268257.db2.gz CGTMDCKKRPFKKU-UHFFFAOYSA-N -2 0 354.384 0.660 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001609636667 1289269747 /nfs/dbraw/zinc/26/97/47/1289269747.db2.gz YWIRFZOJVRTPLE-DTWKUNHWSA-N -2 0 363.413 0.113 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc2ccccc2c(=O)n1C ZINC001609639304 1289270722 /nfs/dbraw/zinc/27/07/22/1289270722.db2.gz VETBYQDWBDECEG-NXEZZACHSA-N -2 0 366.395 0.707 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC001609639025 1289270725 /nfs/dbraw/zinc/27/07/25/1289270725.db2.gz PPMMLXRMIRGGMT-HBNTYKKESA-N -2 0 372.399 0.183 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1cccnc1 ZINC001609639372 1289270918 /nfs/dbraw/zinc/27/09/18/1289270918.db2.gz WDZGWQINLHMPTP-VHSXEESVSA-N -2 0 366.399 0.651 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CCNC(=O)c1ccsc1 ZINC001609639475 1289271040 /nfs/dbraw/zinc/27/10/40/1289271040.db2.gz YDGVUYLNAVHRLF-RKDXNWHRSA-N -2 0 362.429 0.423 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C[C@@H](c1ccccc1)N1CCOC1=O ZINC001609642522 1289271316 /nfs/dbraw/zinc/27/13/16/1289271316.db2.gz VHUQXTKZCLWFJZ-PWSUYJOCSA-N -2 0 370.383 0.489 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCN1C(=O)CCc2ccccc21 ZINC001609642492 1289271597 /nfs/dbraw/zinc/27/15/97/1289271597.db2.gz TWMGULKGZHSHEV-JTQLQIEISA-N -2 0 354.384 0.275 20 0 FCADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC001609650470 1289272619 /nfs/dbraw/zinc/27/26/19/1289272619.db2.gz XINPPBAOQMAUTJ-SNVBAGLBSA-N -2 0 359.404 0.479 20 0 FCADRL CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)[N-]S(=O)(=O)CCC(=O)[O-])C1 ZINC001609659800 1289274564 /nfs/dbraw/zinc/27/45/64/1289274564.db2.gz JJIFEUVKBNULKW-SNVBAGLBSA-N -2 0 368.383 0.112 20 0 FCADRL CC(C)(C)OC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])C1CCC1 ZINC001609664433 1289276533 /nfs/dbraw/zinc/27/65/33/1289276533.db2.gz QRTHMDDWDSFVNU-LLVKDONJSA-N -2 0 364.420 0.601 20 0 FCADRL CC(C)(C)n1cnc(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)n1 ZINC001609672527 1289278202 /nfs/dbraw/zinc/27/82/02/1289278202.db2.gz WSJBDVBLERIXNU-UHFFFAOYSA-N -2 0 366.399 0.991 20 0 FCADRL CC(C)(C)n1cnc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC001609672546 1289278215 /nfs/dbraw/zinc/27/82/15/1289278215.db2.gz YFVAEKWXSIVDBS-UHFFFAOYSA-N -2 0 352.372 0.850 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])N(Cc1ccncc1)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001609683449 1289278581 /nfs/dbraw/zinc/27/85/81/1289278581.db2.gz JOOVSYGWAYZZAS-AWEZNQCLSA-N -2 0 373.431 0.644 20 0 FCADRL CC(C)CCn1cc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])nn1 ZINC001609697143 1289281118 /nfs/dbraw/zinc/28/11/18/1289281118.db2.gz XCHVLCROTXTPJE-UHFFFAOYSA-N -2 0 373.416 0.598 20 0 FCADRL CC(C)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)c(C(=O)[O-])c1 ZINC001609719360 1289285836 /nfs/dbraw/zinc/28/58/36/1289285836.db2.gz CQSPWOOPTGRNAW-ZDUSSCGKSA-N -2 0 364.354 0.759 20 0 FCADRL C[C@@H](CS(=O)(=O)[N-][C@@H](CO)c1nc(-c2ccccc2)no1)C(=O)[O-] ZINC001609750527 1289290267 /nfs/dbraw/zinc/29/02/67/1289290267.db2.gz PMGXEYMKDHQHNH-ONGXEEELSA-N -2 0 355.372 0.410 20 0 FCADRL C[C@@H](NC(=O)C1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001609759130 1289292753 /nfs/dbraw/zinc/29/27/53/1289292753.db2.gz GNVKXVLTHRBEKW-MRVPVSSYSA-N -2 0 374.440 0.946 20 0 FCADRL C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)C1 ZINC001609814989 1289303358 /nfs/dbraw/zinc/30/33/58/1289303358.db2.gz QXJZFMPHKUKUEO-YVEFUNNKSA-N -2 0 354.403 0.803 20 0 FCADRL C[C@@H]1C(=O)CC[C@@H](C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1(C)C ZINC001609829634 1289306884 /nfs/dbraw/zinc/30/68/84/1289306884.db2.gz DBVBLZRSRYVJAR-PWSUYJOCSA-N -2 0 374.459 0.785 20 0 FCADRL C[C@H]1[C@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001609838276 1289309188 /nfs/dbraw/zinc/30/91/88/1289309188.db2.gz XJMVNBQJMLLKBV-VHSXEESVSA-N -2 0 364.420 0.553 20 0 FCADRL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])N1C[C@@H](C)O[C@H](C)C1 ZINC001609865888 1289316381 /nfs/dbraw/zinc/31/63/81/1289316381.db2.gz CURQBSWWDXKXLQ-BZPMIXESSA-N -2 0 364.464 0.431 20 0 FCADRL CC[C@@H](C)n1nc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1C ZINC001609911329 1289327207 /nfs/dbraw/zinc/32/72/07/1289327207.db2.gz PYDDLBGPGPBMRR-SNVBAGLBSA-N -2 0 372.447 0.934 20 0 FCADRL CCO[C@H]1C[C@](NS(=O)(=O)CC2(CC(=O)[O-])CC2)(C(=O)[O-])C1(C)C ZINC001610032573 1289352865 /nfs/dbraw/zinc/35/28/65/1289352865.db2.gz UBVAZALYQYGAMX-BONVTDFDSA-N -2 0 363.432 0.819 20 0 FCADRL CCOC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)C(=O)[O-] ZINC001610037474 1289354428 /nfs/dbraw/zinc/35/44/28/1289354428.db2.gz OZKFWJGIYRKNTA-VIFPVBQESA-N -2 0 351.764 0.806 20 0 FCADRL CCc1nc(C)c(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)s1 ZINC001610071576 1289362591 /nfs/dbraw/zinc/36/25/91/1289362591.db2.gz PNILGBUOIXYZGB-UHFFFAOYSA-N -2 0 361.445 0.785 20 0 FCADRL CN(C)C(=O)c1ccc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])cc1Cl ZINC001610098356 1289370705 /nfs/dbraw/zinc/37/07/05/1289370705.db2.gz ZTVURYVTNGJTFX-UHFFFAOYSA-N -2 0 371.777 0.893 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001610114191 1289377385 /nfs/dbraw/zinc/37/73/85/1289377385.db2.gz HFPMRSLHYQKTPM-UHFFFAOYSA-N -2 0 364.807 0.878 20 0 FCADRL CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001610141866 1289395223 /nfs/dbraw/zinc/39/52/23/1289395223.db2.gz WTAUUKYJGYUHCH-UHFFFAOYSA-N -2 0 352.372 0.885 20 0 FCADRL COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cccc(CC(=O)[O-])c1 ZINC001610149764 1289399624 /nfs/dbraw/zinc/39/96/24/1289399624.db2.gz PKZBGTQCZSTWFA-UHFFFAOYSA-N -2 0 357.384 0.573 20 0 FCADRL COC(=O)c1[nH]c(C)c(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1C ZINC001610192895 1289419603 /nfs/dbraw/zinc/41/96/03/1289419603.db2.gz UUPABSJVYYEHQK-UHFFFAOYSA-N -2 0 360.388 0.589 20 0 FCADRL CO[C@H]1CCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)[C@@H](C(=O)[O-])C1 ZINC001610236073 1289433043 /nfs/dbraw/zinc/43/30/43/1289433043.db2.gz BYWWLTITXAVYKQ-AEJSXWLSSA-N -2 0 354.325 0.780 20 0 FCADRL COCc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001610275809 1289448769 /nfs/dbraw/zinc/44/87/69/1289448769.db2.gz YPHWOVPBISCNFT-UHFFFAOYSA-N -2 0 357.344 0.285 20 0 FCADRL COc1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)cc(C(=O)[O-])c1OC ZINC001610307341 1289456736 /nfs/dbraw/zinc/45/67/36/1289456736.db2.gz QQYRMAPYXCVCJR-LLVKDONJSA-N -2 0 373.383 0.934 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCOC2)c(CC(=O)[O-])c1 ZINC001610346009 1289466500 /nfs/dbraw/zinc/46/65/00/1289466500.db2.gz LSUNTEYRKGFWMT-SNVBAGLBSA-N -2 0 357.384 0.554 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)/C=C/[C@@H]2CCCO2)c(CC(=O)[O-])c1 ZINC001610346228 1289466798 /nfs/dbraw/zinc/46/67/98/1289466798.db2.gz ONKBDVQSKMNNBM-PZBABLGHSA-N -2 0 369.395 0.862 20 0 FCADRL Cc1c(NC(=O)C(=O)[N-]OCc2ccc(F)cc2)cnn1CC(=O)[O-] ZINC001610420810 1289484019 /nfs/dbraw/zinc/48/40/19/1289484019.db2.gz YCESUCXEVDNDEH-UHFFFAOYSA-N -2 0 350.306 0.602 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])nn1-c1nc(C)cc(C)n1 ZINC001610458046 1289488967 /nfs/dbraw/zinc/48/89/67/1289488967.db2.gz JIUJDMFOQANENH-SNVBAGLBSA-N -2 0 367.387 0.120 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])nn1-c1nc(C)cc(C)n1 ZINC001610458044 1289489357 /nfs/dbraw/zinc/48/93/57/1289489357.db2.gz JIUJDMFOQANENH-JTQLQIEISA-N -2 0 367.387 0.120 20 0 FCADRL Cc1cnn(-c2c(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c(C)nn2C)c1 ZINC001610542370 1289504479 /nfs/dbraw/zinc/50/44/79/1289504479.db2.gz ZCAAJKPFNOGGAS-UHFFFAOYSA-N -2 0 369.403 0.147 20 0 FCADRL Cc1nn(C)c(-n2cccn2)c1C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001610568417 1289512653 /nfs/dbraw/zinc/51/26/53/1289512653.db2.gz GSVKTVKFJDQOOR-SCZZXKLOSA-N -2 0 369.403 0.083 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@H]1CCCc2nn(C)cc21 ZINC001610581976 1289516515 /nfs/dbraw/zinc/51/65/15/1289516515.db2.gz XVGIPOAMCOPESL-VIFPVBQESA-N -2 0 367.383 0.945 20 0 FCADRL Cn1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c(-c2ccoc2)n1 ZINC001610600564 1289523165 /nfs/dbraw/zinc/52/31/65/1289523165.db2.gz ZHNYUNZCAMWLHY-UHFFFAOYSA-N -2 0 355.372 0.851 20 0 FCADRL Cn1cnc(-c2ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc2)n1 ZINC001610610791 1289527687 /nfs/dbraw/zinc/52/76/87/1289527687.db2.gz LFGYYDRLDAEZES-UHFFFAOYSA-N -2 0 366.399 0.653 20 0 FCADRL Cn1ncc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC001610613751 1289528848 /nfs/dbraw/zinc/52/88/48/1289528848.db2.gz FYXUNMTYAGCOIO-UHFFFAOYSA-N -2 0 364.383 0.811 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)CC2(C(=O)[O-])CCCCC2)n1 ZINC001610637957 1289535649 /nfs/dbraw/zinc/53/56/49/1289535649.db2.gz VAGKKJCTQJWGRJ-UHFFFAOYSA-N -2 0 358.420 0.535 20 0 FCADRL NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])c1 ZINC001610646717 1289540315 /nfs/dbraw/zinc/54/03/15/1289540315.db2.gz DUXZQVULFUBEEB-UHFFFAOYSA-N -2 0 362.410 0.895 20 0 FCADRL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NC[C@@H](O)C3CCC3)cc2)[nH]1 ZINC001610791523 1289594670 /nfs/dbraw/zinc/59/46/70/1289594670.db2.gz GPSRIHIQUHMFJR-OAHLLOKOSA-N -2 0 359.382 0.684 20 0 FCADRL O=C([O-])Cc1nnc([N-]S(=O)(=O)c2ccccc2Br)[nH]1 ZINC001610798722 1289595994 /nfs/dbraw/zinc/59/59/94/1289595994.db2.gz PIVGQIAIHIZDFE-UHFFFAOYSA-N -2 0 361.177 0.995 20 0 FCADRL O=C([O-])c1c(F)cccc1S(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001610806703 1289599605 /nfs/dbraw/zinc/59/96/05/1289599605.db2.gz RTNJFGWBQHKQAR-UHFFFAOYSA-N -2 0 361.347 0.684 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@]3(CCOC3)C2)cs1 ZINC001610816242 1289600581 /nfs/dbraw/zinc/60/05/81/1289600581.db2.gz ZAAUQGRFGIWUIZ-TVQRCGJNSA-N -2 0 361.397 0.558 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cc(F)c1F ZINC001610816442 1289600670 /nfs/dbraw/zinc/60/06/70/1289600670.db2.gz KRBPMDLXNXODKA-SECBINFHSA-N -2 0 351.283 0.137 20 0 FCADRL O=C([O-])c1csc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)c1 ZINC001610868793 1289612927 /nfs/dbraw/zinc/61/29/27/1289612927.db2.gz SOLVIGCLDYXEPW-UHFFFAOYSA-N -2 0 358.401 0.838 20 0 FCADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc2c1OCC(=O)N2 ZINC001610886411 1289617559 /nfs/dbraw/zinc/61/75/59/1289617559.db2.gz AHISIGSIMBHQRF-UHFFFAOYSA-N -2 0 355.353 0.973 20 0 FCADRL Cn1cnnc1C1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])CC1 ZINC000751211971 836471934 /nfs/dbraw/zinc/47/19/34/836471934.db2.gz AAZRNOXAXJURRJ-UHFFFAOYSA-N -2 0 366.399 0.787 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cc2cccc3c2n(c1=O)CCC3 ZINC001150561528 849666543 /nfs/dbraw/zinc/66/65/43/849666543.db2.gz SNKBWORBCSRALN-UHFFFAOYSA-N -2 0 352.283 0.787 20 0 FCADRL CCc1c(Cl)nc(S(C)(=O)=O)nc1NCCOP(=O)([O-])[O-] ZINC001168585664 850589791 /nfs/dbraw/zinc/58/97/91/850589791.db2.gz ASTSIGSLWZPYRX-UHFFFAOYSA-N -2 0 359.728 0.617 20 0 FCADRL NS(=O)(=O)c1cnc(NCCOP(=O)([O-])[O-])c(C(F)(F)F)c1 ZINC001168589348 850590131 /nfs/dbraw/zinc/59/01/31/850590131.db2.gz HQJOVAXSNNBANT-UHFFFAOYSA-N -2 0 365.226 0.269 20 0 FCADRL CN(C)c1ncc(Nc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])cn1 ZINC001176331822 850786124 /nfs/dbraw/zinc/78/61/24/850786124.db2.gz DJHWVVITGATBGI-UHFFFAOYSA-N -2 0 374.400 0.780 20 0 FCADRL C[C@H](C(=O)NCCOP(=O)([O-])[O-])N(c1ccccc1)S(C)(=O)=O ZINC001182101827 851153352 /nfs/dbraw/zinc/15/33/52/851153352.db2.gz WCSZJIDIXQUUIO-SNVBAGLBSA-N -2 0 366.332 0.067 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2ccnn2C2COC2)cc1C(=O)[O-] ZINC001185269371 851348151 /nfs/dbraw/zinc/34/81/51/851348151.db2.gz KMHFUBULRWVPQS-UHFFFAOYSA-N -2 0 353.356 0.962 20 0 FCADRL COC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185276024 851349733 /nfs/dbraw/zinc/34/97/33/851349733.db2.gz UEXPUIJTDVGXPP-UHFFFAOYSA-N -2 0 369.355 0.714 20 0 FCADRL Cc1nn(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1C(N)=O ZINC001187545640 851576622 /nfs/dbraw/zinc/57/66/22/851576622.db2.gz UDMZXBXRZRDPMF-UHFFFAOYSA-N -2 0 372.790 0.980 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@H]2C[C@]21C(=O)NCCOP(=O)([O-])[O-] ZINC001187604201 851584800 /nfs/dbraw/zinc/58/48/00/851584800.db2.gz ZOKZXGVUFUUZIY-TVQRCGJNSA-N -2 0 350.308 0.611 20 0 FCADRL COC(=O)C[C@H]1CN(C(=O)c2ccccc2OP(=O)([O-])[O-])CCO1 ZINC001189886927 851836948 /nfs/dbraw/zinc/83/69/48/851836948.db2.gz KEVZYYOJQQZHOJ-JTQLQIEISA-N -2 0 359.271 0.562 20 0 FCADRL O=C(NCCNC(=O)c1ccccc1OP(=O)([O-])[O-])c1ccncc1 ZINC001189900092 851839003 /nfs/dbraw/zinc/83/90/03/851839003.db2.gz PNOGGUSZBHFMNY-UHFFFAOYSA-N -2 0 365.282 0.713 20 0 FCADRL CC(=O)c1nn(C)cc1NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189914021 851841987 /nfs/dbraw/zinc/84/19/87/851841987.db2.gz CJODTXMEJDGUCD-UHFFFAOYSA-N -2 0 367.339 0.820 20 0 FCADRL CCN(CCn1cccn1)C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189924038 851844080 /nfs/dbraw/zinc/84/40/80/851844080.db2.gz HZIMBSHKAUDGHO-UHFFFAOYSA-N -2 0 367.383 0.990 20 0 FCADRL C[C@H](NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1)c1cnn(C)c1 ZINC001189933867 851845574 /nfs/dbraw/zinc/84/55/74/851845574.db2.gz NYMRJJZSBFBGBQ-QMMMGPOBSA-N -2 0 353.356 0.856 20 0 FCADRL O=C([O-])c1cc(C(=O)NCCOc2ccncc2)cc(S(=O)(=O)[O-])c1 ZINC001189941446 851847430 /nfs/dbraw/zinc/84/74/30/851847430.db2.gz LCGUHUMNJHBGAE-UHFFFAOYSA-N -2 0 366.351 0.835 20 0 FCADRL COC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccncc2)cc1 ZINC001190896790 851979913 /nfs/dbraw/zinc/97/99/13/851979913.db2.gz RWROWNXCMVMYFZ-UHFFFAOYSA-N -2 0 371.396 0.927 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1ccc(OCC2CCOCC2)nc1 ZINC001191929131 852155590 /nfs/dbraw/zinc/15/55/90/852155590.db2.gz KWJZNVGTTMUCLE-UHFFFAOYSA-N -2 0 360.303 0.726 20 0 FCADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc3n(n2)CCCO3)cc1 ZINC001192685154 852275124 /nfs/dbraw/zinc/27/51/24/852275124.db2.gz HHAALKPSCCJGAK-UHFFFAOYSA-N -2 0 353.356 0.930 20 0 FCADRL O=C([O-])CCC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001194034117 852528360 /nfs/dbraw/zinc/52/83/60/852528360.db2.gz SNWVSCCJIREHCU-UHFFFAOYSA-N -2 0 367.738 0.890 20 0 FCADRL COC(=O)c1cncc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)[O-])c2)c1 ZINC001201852377 853550841 /nfs/dbraw/zinc/55/08/41/853550841.db2.gz AHCOQIGHCAPTOV-UHFFFAOYSA-N -2 0 372.380 0.916 20 0 FCADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(Nc2cnc3ccnn3c2)c1 ZINC001204813360 853593102 /nfs/dbraw/zinc/59/31/02/853593102.db2.gz CUFZHCRUAVVGRX-UHFFFAOYSA-N -2 0 370.368 0.966 20 0 FCADRL O=C([O-])C[C@H](C(=O)OCc1nc(-c2ccccc2)no1)[C@@H](O)C(=O)[O-] ZINC001223197536 856899822 /nfs/dbraw/zinc/89/98/22/856899822.db2.gz PPSUTIYBRUVDJH-JOYOIKCWSA-N -2 0 350.283 0.316 20 0 FCADRL CCOC(=O)c1cccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001223283542 856906305 /nfs/dbraw/zinc/90/63/05/856906305.db2.gz VIKITTWBCIREGE-YPMHNXCESA-N -2 0 354.311 0.443 20 0 FCADRL COC(=O)[C@H](OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1cccc(Cl)c1 ZINC001223928792 856953021 /nfs/dbraw/zinc/95/30/21/856953021.db2.gz FKZREZBQMRYQNL-ZMLRMANQSA-N -2 0 374.729 0.634 20 0 FCADRL CCOC(=O)CCCCCCCOC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001224373291 856981779 /nfs/dbraw/zinc/98/17/79/856981779.db2.gz XYQCGMUWEFKXHY-LLVKDONJSA-N -2 0 356.308 0.904 20 0 FCADRL CC(C)(C)OC(=O)NCCCCOC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001224516271 856986147 /nfs/dbraw/zinc/98/61/47/856986147.db2.gz VVYGIZJJZCZOAX-SECBINFHSA-N -2 0 357.296 0.305 20 0 FCADRL CC(C)(C)OC(=O)NC1(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])CC1 ZINC001224796132 857001210 /nfs/dbraw/zinc/00/12/10/857001210.db2.gz FCOCBVOFRJIOMJ-WCBMZHEXSA-N -2 0 361.347 0.123 20 0 FCADRL COc1cc2c(cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])CCC2=O ZINC001225371531 857037357 /nfs/dbraw/zinc/03/73/57/857037357.db2.gz PXKQERZFKSRDJT-XPTSAGLGSA-N -2 0 352.295 0.266 20 0 FCADRL CCc1cc(C(=O)OC)ccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225419391 857040642 /nfs/dbraw/zinc/04/06/42/857040642.db2.gz WKBWYXVGHSSFBJ-MFKMUULPSA-N -2 0 354.311 0.477 20 0 FCADRL O=C(Oc1cc(F)cc(Br)c1)[C@H](O)COP(=O)([O-])[O-] ZINC001225718204 857057327 /nfs/dbraw/zinc/05/73/27/857057327.db2.gz KRTYOOJCLBWKPY-MRVPVSSYSA-N -2 0 359.040 0.964 20 0 FCADRL Cc1cc(Br)cnc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001226092084 857084080 /nfs/dbraw/zinc/08/40/80/857084080.db2.gz VFCGPOAPAWUFGL-APPZFPTMSA-N -2 0 362.132 0.594 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1nc(Cl)nc2cc(F)ccc21)[C@H](O)C(=O)[O-] ZINC001226375740 857100078 /nfs/dbraw/zinc/10/00/78/857100078.db2.gz WUSLSUBPYHSMOX-XVKPBYJWSA-N -2 0 372.692 0.864 20 0 FCADRL Cc1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cnc1Br ZINC001226999193 857136402 /nfs/dbraw/zinc/13/64/02/857136402.db2.gz JIEKTXXUBAUDLK-APPZFPTMSA-N -2 0 362.132 0.594 20 0 FCADRL Cc1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cnc1Br ZINC001226999196 857136630 /nfs/dbraw/zinc/13/66/30/857136630.db2.gz JIEKTXXUBAUDLK-VXNVDRBHSA-N -2 0 362.132 0.594 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(Br)nc1F)[C@H](O)C(=O)[O-] ZINC001227608194 857167118 /nfs/dbraw/zinc/16/71/18/857167118.db2.gz VGDNGLCOHSKLPX-NVNXEXLPSA-N -2 0 366.095 0.425 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1nccc2cc(Cl)ncc21)[C@H](O)C(=O)[O-] ZINC001227855608 857179972 /nfs/dbraw/zinc/17/99/72/857179972.db2.gz QVMVFBMIWVTGOG-HQJQHLMTSA-N -2 0 354.702 0.725 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ncnc2ccc(Cl)cc21)[C@H](O)C(=O)[O-] ZINC001227964136 857186709 /nfs/dbraw/zinc/18/67/09/857186709.db2.gz KHEPMWSQJGHTAI-KCJUWKMLSA-N -2 0 354.702 0.725 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccn(-c2ccc(Cl)cc2)n1)[C@H](O)C(=O)[O-] ZINC001228003320 857188844 /nfs/dbraw/zinc/18/88/44/857188844.db2.gz WMZWZTHEKUDPJO-GWCFXTLKSA-N -2 0 368.729 0.968 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccn(-c2ccc(Cl)cc2)n1)[C@@H](O)C(=O)[O-] ZINC001228003321 857188861 /nfs/dbraw/zinc/18/88/61/857188861.db2.gz WMZWZTHEKUDPJO-GXFFZTMASA-N -2 0 368.729 0.968 20 0 FCADRL Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(Br)n1 ZINC001228064184 857190404 /nfs/dbraw/zinc/19/04/04/857190404.db2.gz BNJHXZWWUVFGEI-HZGVNTEJSA-N -2 0 362.132 0.594 20 0 FCADRL Cc1cc(Br)cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001228058400 857190525 /nfs/dbraw/zinc/19/05/25/857190525.db2.gz JBXSTBBBUUGRTL-GMSGAONNSA-N -2 0 362.132 0.594 20 0 FCADRL Cc1cnc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(Br)c1 ZINC001228172295 857194651 /nfs/dbraw/zinc/19/46/51/857194651.db2.gz SQRBBNGETXSIEL-IMTBSYHQSA-N -2 0 362.132 0.594 20 0 FCADRL CC(=O)c1ccc2nc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])oc2c1 ZINC001228667983 857221119 /nfs/dbraw/zinc/22/11/19/857221119.db2.gz AQXKTKTXDDYGAW-QPUJVOFHSA-N -2 0 351.267 0.472 20 0 FCADRL Cc1cc(Br)ncc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001228702255 857224741 /nfs/dbraw/zinc/22/47/41/857224741.db2.gz NUEYIATXYORAAT-ZCFIWIBFSA-N -2 0 356.065 0.528 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=S)nc2ccccc21)[C@@H](O)C(=O)[O-] ZINC001228766747 857227910 /nfs/dbraw/zinc/22/79/10/857227910.db2.gz VCBZMVOWIZRLTP-GMSGAONNSA-N -2 0 352.324 0.360 20 0 FCADRL COc1ccc2ncnc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2c1 ZINC001228869851 857232964 /nfs/dbraw/zinc/23/29/64/857232964.db2.gz RPRPHUROUAGVBS-BXKDBHETSA-N -2 0 350.283 0.080 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cccc(O)c1Br)[C@H](O)C(=O)[O-] ZINC001229140301 857253247 /nfs/dbraw/zinc/25/32/47/857253247.db2.gz AFFNVCLWBVTGJQ-FWOIEVBISA-N -2 0 363.116 0.597 20 0 FCADRL CC(=O)Nc1cc(Cl)ccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001229415351 857268874 /nfs/dbraw/zinc/26/88/74/857268874.db2.gz ISWLTTSKOCFNOA-PELKAZGASA-N -2 0 359.718 0.740 20 0 FCADRL CCCC(=O)Nc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001229484384 857272092 /nfs/dbraw/zinc/27/20/92/857272092.db2.gz LMQAQFCKYSJGBU-SMDDNHRTSA-N -2 0 353.327 0.867 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cc(Cl)c2cccnc2n1)[C@H](O)C(=O)[O-] ZINC001229511920 857272567 /nfs/dbraw/zinc/27/25/67/857272567.db2.gz QPXUOVPZGGENDW-CPCISQLKSA-N -2 0 354.702 0.725 20 0 FCADRL O=C(Oc1[nH]c(=S)nc2sccc21)[C@H](O)COP(=O)([O-])[O-] ZINC001229565564 857275812 /nfs/dbraw/zinc/27/58/12/857275812.db2.gz JJGGOJUVOHYIAK-RXMQYKEDSA-N -2 0 352.286 0.356 20 0 FCADRL Cc1ncc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1Br ZINC001229890802 857291426 /nfs/dbraw/zinc/29/14/26/857291426.db2.gz MHAKLTBKKAYYIZ-XVKPBYJWSA-N -2 0 362.132 0.594 20 0 FCADRL O=S(=O)([O-])c1cc(O)c(O[C@H]2CCOC[C@H]2F)c(S(=O)(=O)[O-])c1 ZINC001230144241 857307449 /nfs/dbraw/zinc/30/74/49/857307449.db2.gz MGAGFVILYFUMSZ-APPZFPTMSA-N -2 0 372.348 0.391 20 0 FCADRL CC[C@@H](COc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-])OC ZINC001230145010 857307638 /nfs/dbraw/zinc/30/76/38/857307638.db2.gz UNDXUVRDRYYNQE-ZETCQYMHSA-N -2 0 356.374 0.689 20 0 FCADRL O=S(=O)([O-])c1cc(O)c(OC[C@@H]2CCC=CO2)c(S(=O)(=O)[O-])c1 ZINC001230147142 857307684 /nfs/dbraw/zinc/30/76/84/857307684.db2.gz ROPZFHMDHWNTBU-QMMMGPOBSA-N -2 0 366.369 0.957 20 0 FCADRL COC(=O)c1cc(C)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1C ZINC001230527986 857343677 /nfs/dbraw/zinc/34/36/77/857343677.db2.gz LJZWYJGTLQBTNE-GWCFXTLKSA-N -2 0 354.311 0.532 20 0 FCADRL COc1ccc2c(c1)ncnc2OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001230868660 857350365 /nfs/dbraw/zinc/35/03/65/857350365.db2.gz VMAIANSZBWAQHJ-JOYOIKCWSA-N -2 0 350.283 0.080 20 0 FCADRL CCc1cccc(C(=O)OC)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230963012 857352852 /nfs/dbraw/zinc/35/28/52/857352852.db2.gz BCOAMTZALOYWDL-JQWIXIFHSA-N -2 0 354.311 0.477 20 0 FCADRL COC(=O)c1cccc(C(C)=O)c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001231070424 857355860 /nfs/dbraw/zinc/35/58/60/857355860.db2.gz VBRYMDQPATZITR-SNVBAGLBSA-N -2 0 362.227 0.051 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cnc2cc(F)c(F)cc2c1)[C@@H](O)C(=O)[O-] ZINC001231141326 857356484 /nfs/dbraw/zinc/35/64/84/857356484.db2.gz AKMWEUBOIBDZHU-ISVAXAHUSA-N -2 0 355.249 0.955 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cnc2cc(F)c(F)cc2c1)[C@@H](O)C(=O)[O-] ZINC001231141324 857357103 /nfs/dbraw/zinc/35/71/03/857357103.db2.gz AKMWEUBOIBDZHU-AMIZOPFISA-N -2 0 355.249 0.955 20 0 FCADRL CCCOC(=O)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001231341129 857359791 /nfs/dbraw/zinc/35/97/91/857359791.db2.gz UJZONRMCPPBISO-GXFFZTMASA-N -2 0 354.311 0.695 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(=O)[nH]c2ccc(F)cc21)[C@H](O)C(=O)[O-] ZINC001231391844 857360634 /nfs/dbraw/zinc/36/06/34/857360634.db2.gz KYLWWSHMSBMZAJ-OQPBUACISA-N -2 0 353.258 0.521 20 0 FCADRL CCOC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(Cl)c1 ZINC001233581784 857387070 /nfs/dbraw/zinc/38/70/70/857387070.db2.gz CKSHTUIMYPNDDH-PRHODGIISA-N -2 0 374.729 0.959 20 0 FCADRL CCCC(=O)c1ccc([O-])cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001233650523 857388121 /nfs/dbraw/zinc/38/81/21/857388121.db2.gz MDNVQXCLCFODMB-HZMBPMFUSA-N -2 0 354.311 0.817 20 0 FCADRL COC(=O)c1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccc1Cl ZINC001233971938 857393921 /nfs/dbraw/zinc/39/39/21/857393921.db2.gz IKXLXSNRYKMJIS-GZMMTYOYSA-N -2 0 360.702 0.568 20 0 FCADRL COc1cc(OC)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1Cl ZINC001234944031 857415960 /nfs/dbraw/zinc/41/59/60/857415960.db2.gz VTHRRUXWGQAXQD-QTTZVWFDSA-N -2 0 362.718 0.799 20 0 FCADRL NC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)ccn1 ZINC001259213725 858248799 /nfs/dbraw/zinc/24/87/99/858248799.db2.gz JECLMPQQUFMHDM-UHFFFAOYSA-N -2 0 373.749 0.894 20 0 FCADRL CCCc1nn(C)c(C(N)=O)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260183876 858351783 /nfs/dbraw/zinc/35/17/83/858351783.db2.gz GFLULLSULYLSSO-UHFFFAOYSA-N -2 0 366.399 0.971 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc(N3CCOCC3)nc2)cc1 ZINC001260221557 858356374 /nfs/dbraw/zinc/35/63/74/858356374.db2.gz IWKWEYKRMHYSCE-UHFFFAOYSA-N -2 0 364.383 0.812 20 0 FCADRL CN(CCO)c1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)ncn1 ZINC001260392891 858365648 /nfs/dbraw/zinc/36/56/48/858365648.db2.gz UJUXLACSEXFWHU-UHFFFAOYSA-N -2 0 368.371 0.110 20 0 FCADRL COc1ncnc(OC)c1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260392675 858365926 /nfs/dbraw/zinc/36/59/26/858365926.db2.gz MGOBLSQDWYDORX-UHFFFAOYSA-N -2 0 355.328 0.698 20 0 FCADRL CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)CCCC(=O)[O-])s1 ZINC001261843199 858683753 /nfs/dbraw/zinc/68/37/53/858683753.db2.gz YTCVIMUOTDEJMN-UHFFFAOYSA-N -2 0 362.429 0.487 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001262174700 858806458 /nfs/dbraw/zinc/80/64/58/858806458.db2.gz DWCOAZHPKUYETA-UHFFFAOYSA-N -2 0 360.363 0.249 20 0 FCADRL O=C([O-])CCCC(=O)[N-]S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC001330255157 872544460 /nfs/dbraw/zinc/54/44/60/872544460.db2.gz SNMQJAALXMTUHF-UHFFFAOYSA-N -2 0 357.384 0.821 20 0 FCADRL NS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000321990186 970833301 /nfs/dbraw/zinc/83/33/01/970833301.db2.gz OIYMTFRKUOQAKN-UHFFFAOYSA-N -2 0 356.381 0.833 20 0 FCADRL C[C@@H]1[C@H](NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCS1(=O)=O ZINC000324497113 971125737 /nfs/dbraw/zinc/12/57/37/971125737.db2.gz RCNRVTAJRHQFPY-HTRCEHHLSA-N -2 0 369.367 0.517 20 0 FCADRL CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)cc1 ZINC000325362520 971208151 /nfs/dbraw/zinc/20/81/51/971208151.db2.gz HZDWJXPOGRBQJF-UHFFFAOYSA-N -2 0 371.396 0.489 20 0 FCADRL NS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000326313155 971281981 /nfs/dbraw/zinc/28/19/81/971281981.db2.gz MALHZWSJNISUKL-UHFFFAOYSA-N -2 0 374.371 0.972 20 0 FCADRL COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000326579929 951101542 /nfs/dbraw/zinc/10/15/42/951101542.db2.gz ZCWYPZYMRFLOQY-ZDUSSCGKSA-N -2 0 360.344 0.412 20 0 FCADRL CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)[N-]OCC(F)F)C1 ZINC001602893475 971811424 /nfs/dbraw/zinc/81/14/24/971811424.db2.gz YBMSMNRKRPRHIL-ZDUSSCGKSA-N -2 0 354.306 0.390 20 0 FCADRL C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CC[C@@H]1C(=O)[O-] ZINC001589393247 954347063 /nfs/dbraw/zinc/34/70/63/954347063.db2.gz WIXQQGQSQQQUFT-JQWIXIFHSA-N -2 0 370.427 0.825 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1csc(=O)[nH]1 ZINC001594888351 954484908 /nfs/dbraw/zinc/48/49/08/954484908.db2.gz CCJOVEFKXHRYGO-VDTYLAMSSA-N -2 0 367.305 0.585 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCc1cnccn1 ZINC001594891102 954526957 /nfs/dbraw/zinc/52/69/57/954526957.db2.gz SZRPJCIPZQTHSB-JQWIXIFHSA-N -2 0 374.319 0.532 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1n[nH]cc1F ZINC001594897180 954577100 /nfs/dbraw/zinc/57/71/00/954577100.db2.gz WCZAUYHVRGSZBH-XPUUQOCRSA-N -2 0 352.244 0.285 20 0 FCADRL Nc1cccnc1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001594665809 956574277 /nfs/dbraw/zinc/57/42/77/956574277.db2.gz OHRPKSGUSYANJJ-WPRPVWTQSA-N -2 0 360.292 0.400 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)c2cnc(C(=O)[O-])cn2)c(F)cc1F ZINC001594329037 958201925 /nfs/dbraw/zinc/20/19/25/958201925.db2.gz KTQGHMHIBLHCKD-UHFFFAOYSA-N -2 0 357.294 0.880 20 0 FCADRL C[C@H](C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-])c1cnccn1 ZINC001573363644 958607850 /nfs/dbraw/zinc/60/78/50/958607850.db2.gz KULJIDPRTFMMII-IQJOONFLSA-N -2 0 374.319 0.703 20 0 FCADRL CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cccc(Cl)c1[O-] ZINC001588508768 958754254 /nfs/dbraw/zinc/75/42/54/958754254.db2.gz RFMIEPZZSCROAT-QMMMGPOBSA-N -2 0 364.807 0.646 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001594247217 959587449 /nfs/dbraw/zinc/58/74/49/959587449.db2.gz BIXGQTLJMPFUCO-PWSUYJOCSA-N -2 0 357.370 0.860 20 0 FCADRL Cc1nnc(CC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])o1 ZINC001594490387 959691860 /nfs/dbraw/zinc/69/18/60/959691860.db2.gz DAWZWILXPNRVEZ-XCBNKYQSSA-N -2 0 364.280 0.043 20 0 FCADRL Cc1nnc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])s1 ZINC001594491269 959712622 /nfs/dbraw/zinc/71/26/22/959712622.db2.gz OTHBUGVQNFYBNK-APPZFPTMSA-N -2 0 352.338 0.943 20 0 FCADRL C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C[C@@H]1C(=O)[O-] ZINC001573736197 960438116 /nfs/dbraw/zinc/43/81/16/960438116.db2.gz RBYDWENKSHLHBS-GWCFXTLKSA-N -2 0 370.427 0.825 20 0 FCADRL COC(=O)CCN(CC(=O)[O-])C(=O)c1nc[n-]c(=O)c1Br ZINC001574056869 962194297 /nfs/dbraw/zinc/19/42/97/962194297.db2.gz UHYPOSJUKDTMKF-UHFFFAOYSA-N -2 0 362.136 0.035 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)C2)on1 ZINC000315396668 963895068 /nfs/dbraw/zinc/89/50/68/963895068.db2.gz LOPOVGQADOFQRB-LBPRGKRZSA-N -2 0 351.384 0.926 20 0 FCADRL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N=c1cc[nH]cc1C(=O)[O-] ZINC000397431900 973000582 /nfs/dbraw/zinc/00/05/82/973000582.db2.gz RTZBYYUUTXJHKX-UHFFFAOYSA-N -2 0 353.312 0.919 20 0 FCADRL Cn1nccc1[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000402590107 973628671 /nfs/dbraw/zinc/62/86/71/973628671.db2.gz ZOBFDPTVYDHIRV-JTQLQIEISA-N -2 0 358.307 0.572 20 0 FCADRL CC[C@H](CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC001603553001 973631729 /nfs/dbraw/zinc/63/17/29/973631729.db2.gz WWEUDOQDRGAEIC-MRVPVSSYSA-N -2 0 350.343 0.470 20 0 FCADRL Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)c3ccc4oc(=O)nc-4[n-]3)C2)cn1 ZINC001605489822 973636885 /nfs/dbraw/zinc/63/68/85/973636885.db2.gz HPGSVYPOGCWJJQ-UWVGGRQHSA-N -2 0 371.353 0.992 20 0 FCADRL COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)c2cnc(C(=O)[O-])cn2)c1 ZINC001604822101 974065519 /nfs/dbraw/zinc/06/55/19/974065519.db2.gz KWYUQIACRXYTTI-UHFFFAOYSA-N -2 0 367.339 0.311 20 0 FCADRL CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])n(C)n1 ZINC001591930584 976422299 /nfs/dbraw/zinc/42/22/99/976422299.db2.gz PBEGEYJZGUDYEX-UHFFFAOYSA-N -2 0 358.401 0.817 20 0 FCADRL C[C@@H](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001592370585 977884033 /nfs/dbraw/zinc/88/40/33/977884033.db2.gz GYQCPUFNCGJUMK-AAEUAGOBSA-N -2 0 362.448 0.851 20 0 FCADRL C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC001592406260 977982678 /nfs/dbraw/zinc/98/26/78/977982678.db2.gz QJWKJYYNEGGRGJ-SSDOTTSWSA-N -2 0 367.326 0.509 20 0 FCADRL C[C@@H](CCC(=O)[N-]S(=O)(=O)CCC(=O)[O-])NC(=O)OC(C)(C)C ZINC001592471381 978231528 /nfs/dbraw/zinc/23/15/28/978231528.db2.gz RJRNRUYXZXZKQY-VIFPVBQESA-N -2 0 352.409 0.601 20 0 FCADRL C[C@@](CO)(CNS(=O)(=O)c1ccc(CC(=O)[O-])s1)CC(=O)[O-] ZINC001592728571 979238192 /nfs/dbraw/zinc/23/81/92/979238192.db2.gz IDVJRAOAWIFYIB-LBPRGKRZSA-N -2 0 351.402 0.127 20 0 FCADRL C[C@@H](CS(=O)(=O)N(CCOc1ccccc1)[C@H](C)C(=O)[O-])C(=O)[O-] ZINC001592790174 979437536 /nfs/dbraw/zinc/43/75/36/979437536.db2.gz WYVPOEXNDVNMTB-NWDGAFQWSA-N -2 0 359.400 0.891 20 0 FCADRL C[C@H](CS(=O)(=O)N1C[C@H](c2ccccc2)[C@@](F)(C(=O)[O-])C1)C(=O)[O-] ZINC001592790199 979438502 /nfs/dbraw/zinc/43/85/02/979438502.db2.gz XHNHBZSHCQQLEI-IXPVHAAZSA-N -2 0 359.375 0.929 20 0 FCADRL C[C@H](CS(=O)(=O)N1CCN(Cc2ccoc2C(=O)[O-])CC1)C(=O)[O-] ZINC001592800647 979459689 /nfs/dbraw/zinc/45/96/89/979459689.db2.gz PMXQLRSPPAJKKY-SNVBAGLBSA-N -2 0 360.388 0.146 20 0 FCADRL C[C@H](CSCCNS(=O)(=O)c1scnc1C(=O)[O-])C(=O)[O-] ZINC001592825940 979547063 /nfs/dbraw/zinc/54/70/63/979547063.db2.gz PLBVBFNUTDJRIQ-ZCFIWIBFSA-N -2 0 354.431 0.574 20 0 FCADRL CC[C@](COC)([N-]S(=O)(=O)Cc1ccccc1C(=O)[O-])C(=O)OC ZINC001595199367 979939167 /nfs/dbraw/zinc/93/91/67/979939167.db2.gz CFAXELVGJHQTOQ-OAHLLOKOSA-N -2 0 359.400 0.772 20 0 FCADRL C[C@H](NC(=O)CC(C)(C)C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001593011232 980245953 /nfs/dbraw/zinc/24/59/53/980245953.db2.gz OPGBHXMKPIDXME-UTLUCORTSA-N -2 0 350.437 0.483 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])C1=O ZINC001595372073 980857935 /nfs/dbraw/zinc/85/79/35/980857935.db2.gz WMQXGKKIOODLSD-CYBMUJFWSA-N -2 0 359.335 0.438 20 0 FCADRL CC[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cc(C(=O)[O-])no2)C1=O ZINC001595397721 980966954 /nfs/dbraw/zinc/96/69/54/980966954.db2.gz VWCHKBJFFRELLU-INIZCTEOSA-N -2 0 358.310 0.875 20 0 FCADRL CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001595506233 981286726 /nfs/dbraw/zinc/28/67/26/981286726.db2.gz SVHZEVCMKWVHBQ-FWAPLPHYSA-N -2 0 364.445 0.165 20 0 FCADRL CCC[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-])C(=O)[O-] ZINC001595607452 981600820 /nfs/dbraw/zinc/60/08/20/981600820.db2.gz FWJVSLPOYZJPSW-ONGXEEELSA-N -2 0 365.791 0.931 20 0 FCADRL CCC[C@@H](O)[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1)C(=O)[O-] ZINC001595609147 981617852 /nfs/dbraw/zinc/61/78/52/981617852.db2.gz PPCTUHOJNPTQES-PWSUYJOCSA-N -2 0 361.372 0.286 20 0 FCADRL CC[C@@](C)(CNS(=O)(=O)c1cc(C(=O)[O-])ccc1C(=O)OC)C(=O)[O-] ZINC001594834693 982022907 /nfs/dbraw/zinc/02/29/07/982022907.db2.gz JWSHOPJUKGVCGT-HNNXBMFYSA-N -2 0 373.383 0.951 20 0 FCADRL CCCN(CC(=O)[O-])S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1OC ZINC001595859690 982792118 /nfs/dbraw/zinc/79/21/18/982792118.db2.gz WHZVQECRWXNELW-UHFFFAOYSA-N -2 0 361.372 0.887 20 0 FCADRL CCN(CC)S(=O)(=O)[N-]C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC001596283069 983702553 /nfs/dbraw/zinc/70/25/53/983702553.db2.gz IDXQBMKSQJLNTR-UHFFFAOYSA-N -2 0 359.404 0.469 20 0 FCADRL CCNC(=O)COc1cccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])c1 ZINC001596462767 984176813 /nfs/dbraw/zinc/17/68/13/984176813.db2.gz DZSYTQNLLXMDSC-UHFFFAOYSA-N -2 0 368.371 0.424 20 0 FCADRL CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC001596637808 984628805 /nfs/dbraw/zinc/62/88/05/984628805.db2.gz LYWVVIZHMLSFBW-UHFFFAOYSA-N -2 0 354.344 0.340 20 0 FCADRL CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC1 ZINC001589066680 985203165 /nfs/dbraw/zinc/20/31/65/985203165.db2.gz SFWSYNXRQJEIGZ-UHFFFAOYSA-N -2 0 372.443 0.478 20 0 FCADRL CC(=O)N[C@H](CCC(C)C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001589115652 985367132 /nfs/dbraw/zinc/36/71/32/985367132.db2.gz OEUWMQWCVQNDEL-JFGNBEQYSA-N -2 0 350.437 0.483 20 0 FCADRL CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])o2)s1 ZINC001589149761 985467049 /nfs/dbraw/zinc/46/70/49/985467049.db2.gz MTJKXYQZTNDDDJ-UHFFFAOYSA-N -2 0 372.380 0.794 20 0 FCADRL CC(=O)Nc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])ccc1F ZINC001589170180 985522239 /nfs/dbraw/zinc/52/22/39/985522239.db2.gz FDWLZLBHYCGPDR-JGVFFNPUSA-N -2 0 360.363 0.953 20 0 FCADRL CC(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc1F ZINC001589185891 985570938 /nfs/dbraw/zinc/57/09/38/985570938.db2.gz CYOQSPISOYZYMT-UHFFFAOYSA-N -2 0 360.363 0.955 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cc1 ZINC001589200199 985646483 /nfs/dbraw/zinc/64/64/83/985646483.db2.gz CBGZIAIWLVEUDK-NEPJUHHUSA-N -2 0 356.356 0.082 20 0 FCADRL CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001596875392 985718732 /nfs/dbraw/zinc/71/87/32/985718732.db2.gz AYERKOJUOQUGTK-GFCCVEGCSA-N -2 0 363.374 0.134 20 0 FCADRL CC(=O)c1cccc(S(=O)(=O)NCC(=O)[N-]OCCCC(=O)[O-])c1 ZINC001589318060 986115836 /nfs/dbraw/zinc/11/58/36/986115836.db2.gz GDGBYZSEYGHJEC-UHFFFAOYSA-N -2 0 358.372 0.080 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])s2)[C@H](C(=O)[O-])[C@@H](C)O1 ZINC001594557075 986299711 /nfs/dbraw/zinc/29/97/11/986299711.db2.gz NIKUBLQNJZGMFP-RWYTXXIDSA-N -2 0 363.413 0.626 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1 ZINC001589424083 986687506 /nfs/dbraw/zinc/68/75/06/986687506.db2.gz RQORZGAMPOQYRR-DTWKUNHWSA-N -2 0 364.420 0.694 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)n1nnnc1C(C)(C)C ZINC001589450698 986841578 /nfs/dbraw/zinc/84/15/78/986841578.db2.gz FHXJAOCWJKLALZ-YIZRAAEISA-N -2 0 361.424 0.087 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCCc1nc(C2CC2)no1 ZINC001589450975 986843417 /nfs/dbraw/zinc/84/34/17/986843417.db2.gz GRTRLDSOCGFCMQ-BDAKNGLRSA-N -2 0 359.404 0.825 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CN1C(=O)CCc2ccccc21 ZINC001589451481 986844219 /nfs/dbraw/zinc/84/42/19/986844219.db2.gz IJTLFLFYNSTBQZ-QWRGUYRKSA-N -2 0 368.411 0.521 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC001589452733 986850396 /nfs/dbraw/zinc/85/03/96/986850396.db2.gz MSPZWDQESKIYBV-CIUDSAMLSA-N -2 0 360.354 0.426 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)OCCO2 ZINC001589453989 986870856 /nfs/dbraw/zinc/87/08/56/986870856.db2.gz SJGUFFVZRNTBOV-VHSXEESVSA-N -2 0 357.384 0.556 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc2c1O[C@@H](C)C(=O)N2 ZINC001594651257 986876098 /nfs/dbraw/zinc/87/60/98/986876098.db2.gz QIMBCPXIQZUULW-XHNCKOQMSA-N -2 0 370.383 0.575 20 0 FCADRL CCOc1cccc2c1OCC(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])=C2 ZINC001597164797 986981120 /nfs/dbraw/zinc/98/11/20/986981120.db2.gz HYOFSAKQKJXPSI-SECBINFHSA-N -2 0 355.368 0.780 20 0 FCADRL C[C@@H](C(=O)[O-])N(Cc1cccnc1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001589487119 987043299 /nfs/dbraw/zinc/04/32/99/987043299.db2.gz RFOHJANQUUYCAJ-VIFPVBQESA-N -2 0 353.356 0.772 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC001589490438 987054464 /nfs/dbraw/zinc/05/44/64/987054464.db2.gz BHZIKUKCIAGYKY-SECBINFHSA-N -2 0 350.352 0.778 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)COc1ccc2ccc(=O)oc2c1 ZINC001589491024 987057274 /nfs/dbraw/zinc/05/72/74/987057274.db2.gz GXMDIBPRAGXURJ-QMMMGPOBSA-N -2 0 355.324 0.091 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1sc(N2CCCC2)nc1Cl ZINC001589492621 987064123 /nfs/dbraw/zinc/06/41/23/987064123.db2.gz WDEYFRYEFWSPAC-ZCFIWIBFSA-N -2 0 367.836 0.929 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC001589494343 987070962 /nfs/dbraw/zinc/07/09/62/987070962.db2.gz IRQMAFVTZMNBDF-QMMMGPOBSA-N -2 0 350.393 0.163 20 0 FCADRL CCOc1nc(C(F)(F)F)ccc1C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001597192303 987073880 /nfs/dbraw/zinc/07/38/80/987073880.db2.gz OHZWFIOXGXBTNW-UHFFFAOYSA-N -2 0 356.278 0.643 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCC(=O)N1CCOc2ccccc21 ZINC001589495598 987074428 /nfs/dbraw/zinc/07/44/28/987074428.db2.gz PLPAZQIALGNCPQ-JTQLQIEISA-N -2 0 370.383 0.111 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC001589496440 987078993 /nfs/dbraw/zinc/07/89/93/987078993.db2.gz WMDROWGAUKDSOB-DTWKUNHWSA-N -2 0 374.802 0.612 20 0 FCADRL CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC001597288319 987370021 /nfs/dbraw/zinc/37/00/21/987370021.db2.gz CLTZYCTUGSWTLA-SECBINFHSA-N -2 0 352.409 0.601 20 0 FCADRL CC(C)(C(=O)[O-])[C@H](NC(=O)C(=O)NCCCC(=O)[O-])c1ccccc1 ZINC001589588553 987383947 /nfs/dbraw/zinc/38/39/47/987383947.db2.gz ADZRVKNBSRTFOF-CYBMUJFWSA-N -2 0 350.371 0.936 20 0 FCADRL CC(C)(C(=O)[O-])c1csc(NC(=O)CCCn2c(=O)[n-][nH]c2=O)n1 ZINC001589648907 987583939 /nfs/dbraw/zinc/58/39/39/987583939.db2.gz DZNVUVRMJZQGPF-UHFFFAOYSA-N -2 0 355.376 0.927 20 0 FCADRL CCc1c(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cnn1C ZINC001597410774 987695828 /nfs/dbraw/zinc/69/58/28/987695828.db2.gz JIWLKQNFARIOGO-UHFFFAOYSA-N -2 0 351.384 0.941 20 0 FCADRL CC(C)(C)C(=O)NCCC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001589691179 987757950 /nfs/dbraw/zinc/75/79/50/987757950.db2.gz SDDOIEDSHBEICB-UHFFFAOYSA-N -2 0 370.427 0.883 20 0 FCADRL CCc1cc(C(=O)[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)nn1C ZINC001597431141 987771404 /nfs/dbraw/zinc/77/14/04/987771404.db2.gz JDUZBQFJFLWFPO-UHFFFAOYSA-N -2 0 369.374 0.867 20 0 FCADRL CCc1ccc(CS(=O)(=O)[N-]C(=O)Cn2cc(C(=O)[O-])cn2)cc1 ZINC001597530018 988179019 /nfs/dbraw/zinc/17/90/19/988179019.db2.gz AMXVSMWHJORLEL-UHFFFAOYSA-N -2 0 351.384 0.790 20 0 FCADRL CC(C)(C)OC(=O)[C@]1([N-]S(=O)(=O)CC2(CC(=O)[O-])CC2)CCOC1 ZINC001589858578 988420593 /nfs/dbraw/zinc/42/05/93/988420593.db2.gz YRIFIDJHGDNEIG-HNNXBMFYSA-N -2 0 363.432 0.662 20 0 FCADRL CC(C)(C)OC(=O)N(CCC(=O)[N-]S(=O)(=O)CC(=O)[O-])C1CC1 ZINC001589905371 988615675 /nfs/dbraw/zinc/61/56/75/988615675.db2.gz GQFWGTRAIZEZBV-UHFFFAOYSA-N -2 0 350.393 0.307 20 0 FCADRL C[C@@H](OC(C)(C)C)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)[O-] ZINC001599847333 988955840 /nfs/dbraw/zinc/95/58/40/988955840.db2.gz QKAAUIZZWKIVIB-KCJUWKMLSA-N -2 0 362.404 0.658 20 0 FCADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001597718659 988995513 /nfs/dbraw/zinc/99/55/13/988995513.db2.gz WQQAYGNWYAKWKH-UHFFFAOYSA-N -2 0 355.416 0.605 20 0 FCADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncn(CC(=O)N(C)C)n1 ZINC001597790441 989310611 /nfs/dbraw/zinc/31/06/11/989310611.db2.gz BPQSGYNPXPJWJB-UHFFFAOYSA-N -2 0 371.375 0.021 20 0 FCADRL CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)n1 ZINC001597932319 989888942 /nfs/dbraw/zinc/88/89/42/989888942.db2.gz IZFDZBAHLNLQFD-UHFFFAOYSA-N -2 0 374.325 0.702 20 0 FCADRL CC(C)(C)n1nnc(CC(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC001590609762 990277259 /nfs/dbraw/zinc/27/72/59/990277259.db2.gz RDCVZBYSTHCWBO-UHFFFAOYSA-N -2 0 367.387 0.174 20 0 FCADRL CN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@@H](COC1CCC1)C(=O)[O-] ZINC001598079001 990390463 /nfs/dbraw/zinc/39/04/63/990390463.db2.gz PCZSRDIUQFRNRJ-LBPRGKRZSA-N -2 0 372.399 0.134 20 0 FCADRL CC(C)(CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)CC(=O)[O-] ZINC001590713203 990466684 /nfs/dbraw/zinc/46/66/84/990466684.db2.gz VDHDWUZNTQSVQE-UHFFFAOYSA-N -2 0 364.370 0.860 20 0 FCADRL CC(C)(CS(=O)(=O)N1CCC(O)(C(C)(C)C(=O)[O-])CC1)C(=O)[O-] ZINC001590789489 990615271 /nfs/dbraw/zinc/61/52/71/990615271.db2.gz XSSLJOBMDNCVIH-UHFFFAOYSA-N -2 0 351.421 0.365 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)CCS(=O)(=O)C1CCCC1)C(=O)[O-] ZINC001590798590 990623175 /nfs/dbraw/zinc/62/31/75/990623175.db2.gz YWUOEZACXNHLOO-UHFFFAOYSA-N -2 0 369.461 0.291 20 0 FCADRL COc1cccc(S([O-])=CC(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC001599683553 990949827 /nfs/dbraw/zinc/94/98/27/990949827.db2.gz QIANRGBPEKVXFB-PVXORQTGSA-N -2 0 355.412 0.656 20 0 FCADRL CN(C)S(=O)(=O)[N-]C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001598266475 991112983 /nfs/dbraw/zinc/11/29/83/991112983.db2.gz CHUFLGDVQVXBRV-UHFFFAOYSA-N -2 0 351.178 0.684 20 0 FCADRL COc1ccccc1[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC001599700604 991212370 /nfs/dbraw/zinc/21/23/70/991212370.db2.gz WWCYTOAWMBZFSD-ZDUSSCGKSA-N -2 0 372.399 0.452 20 0 FCADRL CN(C)c1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1F ZINC001598312475 991281118 /nfs/dbraw/zinc/28/11/18/991281118.db2.gz ARJLHDXZXXAGIZ-UHFFFAOYSA-N -2 0 373.406 0.663 20 0 FCADRL CN(CC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)[C@H]1CCSC1 ZINC001598396845 991663111 /nfs/dbraw/zinc/66/31/11/991663111.db2.gz SPVKIPRXHDPWOA-ZDUSSCGKSA-N -2 0 372.468 0.768 20 0 FCADRL COc1ncc(/C=C/C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cn1 ZINC001599736465 991782538 /nfs/dbraw/zinc/78/25/38/991782538.db2.gz VQZGSGRGRAXUKO-DUXPYHPUSA-N -2 0 369.380 0.763 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001598470220 992014694 /nfs/dbraw/zinc/01/46/94/992014694.db2.gz RDVDTMZRHPAZNV-ZDUSSCGKSA-N -2 0 369.399 0.405 20 0 FCADRL CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001591462675 992574545 /nfs/dbraw/zinc/57/45/45/992574545.db2.gz LYESJPKLFPUBFW-ZJUUUORDSA-N -2 0 366.436 0.845 20 0 FCADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001598538011 992863347 /nfs/dbraw/zinc/86/33/47/992863347.db2.gz XOGFXFIFGGIGGW-ZKCHVHJHSA-N -2 0 364.383 0.335 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c(OC)c1C(=O)[O-] ZINC001599609362 993930734 /nfs/dbraw/zinc/93/07/34/993930734.db2.gz AJQRTQZTAORMHS-DTWKUNHWSA-N -2 0 373.383 0.886 20 0 FCADRL COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c(OC)c1C(=O)[O-] ZINC001599610683 993948224 /nfs/dbraw/zinc/94/82/24/993948224.db2.gz IIRMYOKFTZHSBT-MRVPVSSYSA-N -2 0 359.356 0.640 20 0 FCADRL COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])c(OC)c1C(=O)[O-] ZINC001599610684 993948325 /nfs/dbraw/zinc/94/83/25/993948325.db2.gz IIRMYOKFTZHSBT-QMMMGPOBSA-N -2 0 359.356 0.640 20 0 FCADRL COc1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])OC)c(CC(=O)[O-])c1 ZINC001599615296 994006951 /nfs/dbraw/zinc/00/69/51/994006951.db2.gz YBJMHZNSTMNEFJ-LLVKDONJSA-N -2 0 361.372 0.090 20 0 FCADRL COc1cccc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c1OC(F)F ZINC001599642194 994375604 /nfs/dbraw/zinc/37/56/04/994375604.db2.gz BHTAJQZILUSAQR-UHFFFAOYSA-N -2 0 353.299 0.831 20 0 FCADRL CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)C23CC(C(=O)[O-])(C2)C3)cc1 ZINC001598657995 994554120 /nfs/dbraw/zinc/55/41/20/994554120.db2.gz PZOVECHJWPBGTL-UHFFFAOYSA-N -2 0 366.395 0.247 20 0 FCADRL CNC(=O)c1cncc(/C=C\C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001598662184 994614889 /nfs/dbraw/zinc/61/48/89/994614889.db2.gz VERTUWDQHKJQTL-BYIQDMNASA-N -2 0 369.399 0.010 20 0 FCADRL COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001598687980 995022580 /nfs/dbraw/zinc/02/25/80/995022580.db2.gz CETYBBRGRUJKRG-XOPPAYCJSA-N -2 0 359.356 0.635 20 0 FCADRL C[C@](O)(CNS(=O)(=O)c1c2ccccc2sc1C(=O)[O-])C(=O)[O-] ZINC001593417125 995203236 /nfs/dbraw/zinc/20/32/36/995203236.db2.gz LZZPAEYAEDSJEV-ZDUSSCGKSA-N -2 0 359.381 0.713 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccnn1C ZINC001598714278 995385927 /nfs/dbraw/zinc/38/59/27/995385927.db2.gz QONLGXTVJOVEAB-JTQLQIEISA-N -2 0 359.385 0.372 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccccc1F ZINC001598715264 995398088 /nfs/dbraw/zinc/39/80/88/995398088.db2.gz XIXLSNZQYSSDOS-NSHDSACASA-N -2 0 358.303 0.705 20 0 FCADRL C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C1 ZINC001593784777 996503602 /nfs/dbraw/zinc/50/36/02/996503602.db2.gz WZMDHUSHULSIDW-INIZCTEOSA-N -2 0 352.318 0.715 20 0 FCADRL COC(=O)CCCO[N-]C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC001598852426 996615860 /nfs/dbraw/zinc/61/58/60/996615860.db2.gz PAOMAZYBFQAZQG-UHFFFAOYSA-N -2 0 358.734 0.978 20 0 FCADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)N1[C@@H](C)SC[C@H]1C(=O)[O-] ZINC001599380778 996839815 /nfs/dbraw/zinc/83/98/15/996839815.db2.gz TVIANEGVELETSS-APPZFPTMSA-N -2 0 361.397 0.930 20 0 FCADRL COC[C@@]1(C(=O)[O-])CCCCN1C(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001599182817 996973562 /nfs/dbraw/zinc/97/35/62/996973562.db2.gz KKUJAVXDNXKIGD-QGZVFWFLSA-N -2 0 353.419 0.857 20 0 FCADRL COC1(C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])nc2)C(=O)[O-])CCC1 ZINC001599087986 997134954 /nfs/dbraw/zinc/13/49/54/997134954.db2.gz DFBZKMJIBZTZHM-LLVKDONJSA-N -2 0 358.372 0.471 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001599502049 997142373 /nfs/dbraw/zinc/14/23/73/997142373.db2.gz XACWCNZYXVUYFD-UHFFFAOYSA-N -2 0 373.383 0.553 20 0 FCADRL COC(=O)[C@@H]1[C@H](CNS(=O)(=O)c2cc(C(=O)[O-])ccn2)C1(F)F ZINC001598901240 997174007 /nfs/dbraw/zinc/17/40/07/997174007.db2.gz BVBZMHUQDLJQJH-CBAPKCEASA-N -2 0 350.299 0.112 20 0 FCADRL COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)C1 ZINC001599194215 997184441 /nfs/dbraw/zinc/18/44/41/997184441.db2.gz IKRNEENEBRQVNI-HNNXBMFYSA-N -2 0 357.384 0.805 20 0 FCADRL COCc1cncc(C(=O)[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)c1 ZINC001599298541 997191005 /nfs/dbraw/zinc/19/10/05/997191005.db2.gz HIDLHFSDNSOESX-UHFFFAOYSA-N -2 0 354.340 0.946 20 0 FCADRL COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C1 ZINC001599194614 997191892 /nfs/dbraw/zinc/19/18/92/997191892.db2.gz LHEAXHAYBVATSG-AWEZNQCLSA-N -2 0 361.347 0.636 20 0 FCADRL COC(=O)c1[nH]cc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(OC)nc1 ZINC001598911777 997383966 /nfs/dbraw/zinc/38/39/66/997383966.db2.gz ASZAJMYEQWIYEE-UHFFFAOYSA-N -2 0 355.328 0.704 20 0 FCADRL COc1cc(CS(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)sn1 ZINC001599417042 997529731 /nfs/dbraw/zinc/52/97/31/997529731.db2.gz PLWUZNCDYBZHAZ-KYZUINATSA-N -2 0 362.429 0.989 20 0 FCADRL COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC001599232546 997887594 /nfs/dbraw/zinc/88/75/94/997887594.db2.gz MKOZOVGODSBLHI-SECBINFHSA-N -2 0 363.363 0.943 20 0 FCADRL CO[C@H]1CN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)[C@](C)(C(=O)[O-])C1 ZINC001599136427 998052155 /nfs/dbraw/zinc/05/21/55/998052155.db2.gz HPRXJGHQWCAUMZ-DOMZBBRYSA-N -2 0 357.384 0.779 20 0 FCADRL COC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001598950140 998134351 /nfs/dbraw/zinc/13/43/51/998134351.db2.gz ZVNUOKVLVYROPF-UHFFFAOYSA-N -2 0 355.328 0.704 20 0 FCADRL COc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)nn1C ZINC001599355519 998172360 /nfs/dbraw/zinc/17/23/60/998172360.db2.gz YSSQUFSZRMAWFY-UHFFFAOYSA-N -2 0 353.356 0.387 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])c2ccccc2)on1 ZINC001598953679 998201457 /nfs/dbraw/zinc/20/14/57/998201457.db2.gz QTUAZKUKWHKRDH-JTQLQIEISA-N -2 0 354.340 0.608 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nn2)cnc1C ZINC001598955264 998229647 /nfs/dbraw/zinc/22/96/47/998229647.db2.gz PSQOCURJEPNSSE-UHFFFAOYSA-N -2 0 352.328 0.466 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](Cc2ccc(F)cc2)C(=O)[O-])on1 ZINC001598955505 998233593 /nfs/dbraw/zinc/23/35/93/998233593.db2.gz GOAFXOOYFFMMNP-JTQLQIEISA-N -2 0 372.330 0.575 20 0 FCADRL COc1cc(S(=O)(=O)N[C@H](CCSC)C(=O)[O-])ccc1C(=O)[O-] ZINC001599461312 998277983 /nfs/dbraw/zinc/27/79/83/998277983.db2.gz RZLDAIIAABXHRX-SNVBAGLBSA-N -2 0 363.413 0.878 20 0 FCADRL COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1C ZINC001598960431 998318444 /nfs/dbraw/zinc/31/84/44/998318444.db2.gz XUNHKGNRYUWFTR-UHFFFAOYSA-N -2 0 366.351 0.629 20 0 FCADRL COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001599367428 998357165 /nfs/dbraw/zinc/35/71/65/998357165.db2.gz LPXBYEZDJOPSQL-MWLCHTKSSA-N -2 0 364.354 0.901 20 0 FCADRL COc1cc2cc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])[nH]c2c(OC)c1OC ZINC001599466267 998367444 /nfs/dbraw/zinc/36/74/44/998367444.db2.gz UMARNJSBASBBSQ-UHFFFAOYSA-N -2 0 372.355 0.338 20 0 FCADRL COCCOc1ccnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)n1 ZINC001599261958 998400922 /nfs/dbraw/zinc/40/09/22/998400922.db2.gz ZYESKFKOPQVRJX-UHFFFAOYSA-N -2 0 357.344 0.902 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001598970891 998512549 /nfs/dbraw/zinc/51/25/49/998512549.db2.gz WKTHIYDMNGARSH-SNVBAGLBSA-N -2 0 369.351 0.623 20 0 FCADRL COc1ccc(Br)cc1C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001599477264 998553843 /nfs/dbraw/zinc/55/38/43/998553843.db2.gz YKODLGZOHAMBOK-LURJTMIESA-N -2 0 366.189 0.990 20 0 FCADRL COC(=O)c1ccc(NC(=O)NCCCc2c[nH][nH]c2=O)cc1C(=O)[O-] ZINC001598980990 998657435 /nfs/dbraw/zinc/65/74/35/998657435.db2.gz WDHRRTOPUNWTQU-VIFPVBQESA-N -2 0 362.342 0.805 20 0 FCADRL COC(=O)c1ccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])nn1 ZINC001598982867 998673947 /nfs/dbraw/zinc/67/39/47/998673947.db2.gz KYXFDNIXXJQLSS-UHFFFAOYSA-N -2 0 355.328 0.972 20 0 FCADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)nn1 ZINC001598982904 998674285 /nfs/dbraw/zinc/67/42/85/998674285.db2.gz NBQDPZFHMMSKHM-UHFFFAOYSA-N -2 0 352.328 0.466 20 0 FCADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)C1 ZINC001594209754 998812375 /nfs/dbraw/zinc/81/23/75/998812375.db2.gz HPOHWCYFDILCJY-ZJUUUORDSA-N -2 0 366.374 0.211 20 0 FCADRL COC(=O)c1cnccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001599011420 998901559 /nfs/dbraw/zinc/90/15/59/998901559.db2.gz PYVRURGBKKBMNX-UHFFFAOYSA-N -2 0 354.315 0.928 20 0 FCADRL CO[C@@H](C(=O)[O-])C(=O)N1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001599025843 999015472 /nfs/dbraw/zinc/01/54/72/999015472.db2.gz GTEGCFULAOQHSX-QWHCGFSZSA-N -2 0 370.789 0.710 20 0 FCADRL CO[C@H](CC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)C(F)(F)F ZINC001599043237 999132516 /nfs/dbraw/zinc/13/25/16/999132516.db2.gz KKRTXJAERXGVQM-MRVPVSSYSA-N -2 0 362.326 0.111 20 0 FCADRL CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ncn(CC(=O)[O-])n1 ZINC001599057448 999240447 /nfs/dbraw/zinc/24/04/47/999240447.db2.gz FOYKPEXXVGQGTR-GFCCVEGCSA-N -2 0 354.388 0.362 20 0 FCADRL C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC[C@@H]1C(=O)[O-] ZINC001594459894 999671523 /nfs/dbraw/zinc/67/15/23/999671523.db2.gz YQNFIEMDDXRVMV-SKDRFNHKSA-N -2 0 366.345 0.961 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c(F)cc1C ZINC000296923230 214369369 /nfs/dbraw/zinc/36/93/69/214369369.db2.gz KYJDOCPWBOWCKQ-SECBINFHSA-N -2 0 363.319 0.127 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)sc1C(=O)[O-] ZINC000265613578 210178346 /nfs/dbraw/zinc/17/83/46/210178346.db2.gz XRYJTEPLIAABKW-UHFFFAOYSA-N -2 0 358.401 0.627 20 0 FCADRL CCCN(CC(=O)[O-])C(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O ZINC000262391228 209581893 /nfs/dbraw/zinc/58/18/93/209581893.db2.gz RNDJAJOQCOGKKB-UHFFFAOYSA-N -2 0 371.415 0.953 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=Cc3ccccc3OC2)C[C@@H]1C(=O)[O-] ZINC000277365229 212353919 /nfs/dbraw/zinc/35/39/19/212353919.db2.gz YVYCMVBJXXAOLP-OLZOCXBDSA-N -2 0 367.379 0.857 20 0 FCADRL COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000277209661 212340465 /nfs/dbraw/zinc/34/04/65/212340465.db2.gz GKVVLMIAZXHMSR-QMMMGPOBSA-N -2 0 360.344 0.319 20 0 FCADRL O=C([O-])CCCNC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000414630075 245306411 /nfs/dbraw/zinc/30/64/11/245306411.db2.gz SNSPENKDEGKSAB-GXTWGEPZSA-N -2 0 363.370 0.577 20 0 FCADRL CC(C)CN(CC(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000275304145 212004347 /nfs/dbraw/zinc/00/43/47/212004347.db2.gz NLDHPMVUQSWIHH-UHFFFAOYSA-N -2 0 356.360 0.167 20 0 FCADRL CNS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)CCOCC2CC2)c1 ZINC000424071586 247166754 /nfs/dbraw/zinc/16/67/54/247166754.db2.gz VAGWVZBGJJJPNR-UHFFFAOYSA-N -2 0 364.445 0.469 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cn1 ZINC000436963904 248054891 /nfs/dbraw/zinc/05/48/91/248054891.db2.gz FBJAHHGTNUFGOO-UHFFFAOYSA-N -2 0 372.380 0.690 20 0 FCADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)c1O ZINC000436998096 248057078 /nfs/dbraw/zinc/05/70/78/248057078.db2.gz XOFYJEOJYXLQAH-UHFFFAOYSA-N -2 0 361.339 0.867 20 0 FCADRL COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1N ZINC000439260517 248117066 /nfs/dbraw/zinc/11/70/66/248117066.db2.gz SWGANLJRMVYXLK-UHFFFAOYSA-N -2 0 353.356 0.893 20 0 FCADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000271332495 211383295 /nfs/dbraw/zinc/38/32/95/211383295.db2.gz ANTFTQNZSYEJRN-UHFFFAOYSA-N -2 0 366.399 0.598 20 0 FCADRL CC(C)C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)c1nc(-c2nnc[n-]2)no1 ZINC000270973892 211310312 /nfs/dbraw/zinc/31/03/12/211310312.db2.gz IKSRYQKYFGNWRV-SECBINFHSA-N -2 0 374.361 0.171 20 0 FCADRL NC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000481450805 250334978 /nfs/dbraw/zinc/33/49/78/250334978.db2.gz JBOOEPOPDMKXKX-UHFFFAOYSA-N -2 0 350.352 0.919 20 0 FCADRL O=c1[n-]nnn1-c1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1 ZINC000195505725 229274665 /nfs/dbraw/zinc/27/46/65/229274665.db2.gz BGYIVJYDFXEAHQ-UHFFFAOYSA-N -2 0 357.355 0.633 20 0 FCADRL O=C([O-])CCC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCO2)C(=O)[O-] ZINC000278589667 488882924 /nfs/dbraw/zinc/88/29/24/488882924.db2.gz FBJBORSILIORAA-GFCCVEGCSA-N -2 0 357.384 0.998 20 0 FCADRL Nc1ncc(Cl)cc1S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000278777763 488895593 /nfs/dbraw/zinc/89/55/93/488895593.db2.gz UBNRPVXPLUCSPM-SSDOTTSWSA-N -2 0 351.768 0.304 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])ccc1C ZINC000278810666 488897307 /nfs/dbraw/zinc/89/73/07/488897307.db2.gz WZEWIKNKSJWACV-GFCCVEGCSA-N -2 0 373.383 0.768 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cnn(C[C@H]3CCCO3)c2)cc1C(=O)[O-] ZINC000324876237 488907769 /nfs/dbraw/zinc/90/77/69/488907769.db2.gz LMOUBLIMJZJIHC-LLVKDONJSA-N -2 0 354.388 0.900 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2cccnc2-n2cncn2)cc1C(=O)[O-] ZINC000326495871 488915363 /nfs/dbraw/zinc/91/53/63/488915363.db2.gz OCLFXBKYKZDZDQ-UHFFFAOYSA-N -2 0 362.371 0.983 20 0 FCADRL CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])ccc21 ZINC000327486007 488919619 /nfs/dbraw/zinc/91/96/19/488919619.db2.gz KKZUTLLGGQNWHZ-LBPRGKRZSA-N -2 0 370.383 0.192 20 0 FCADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cnn(C)c2)c(OC)c1OC ZINC000055576194 488244215 /nfs/dbraw/zinc/24/42/15/488244215.db2.gz HLCJHBHQMNLKEW-UHFFFAOYSA-N -2 0 371.371 0.945 20 0 FCADRL C[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC000274874291 488739871 /nfs/dbraw/zinc/73/98/71/488739871.db2.gz BKCYQASZLUEKMI-AJAUBTJJSA-N -2 0 374.159 0.840 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1)C(=O)[O-] ZINC000274926146 488744342 /nfs/dbraw/zinc/74/43/42/488744342.db2.gz NYIHXOOIWIFVFB-MRVPVSSYSA-N -2 0 357.262 0.791 20 0 FCADRL CN(Cc1c(F)cccc1Cl)S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000274942945 488746148 /nfs/dbraw/zinc/74/61/48/488746148.db2.gz RGTKVAQYWPYTIF-JTQLQIEISA-N -2 0 368.770 0.673 20 0 FCADRL COC(=O)c1ccc(CS(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000275014305 488753395 /nfs/dbraw/zinc/75/33/95/488753395.db2.gz QNNUIOKWVJWUTB-LLVKDONJSA-N -2 0 359.356 0.068 20 0 FCADRL COC(=O)c1ccc(CS(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000275022738 488754152 /nfs/dbraw/zinc/75/41/52/488754152.db2.gz DMQMJSWLGWBJCJ-NSHDSACASA-N -2 0 359.356 0.211 20 0 FCADRL Nc1ncc(Cl)cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000275071160 488758673 /nfs/dbraw/zinc/75/86/73/488758673.db2.gz HBHKUNNTURLVJO-HTQZYQBOSA-N -2 0 363.779 0.113 20 0 FCADRL CCN(Cc1ccccc1)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000275081603 488759993 /nfs/dbraw/zinc/75/99/93/488759993.db2.gz IULMDVUPXYJXIL-KGLIPLIRSA-N -2 0 370.427 0.861 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1F ZINC000275084454 488760210 /nfs/dbraw/zinc/76/02/10/488760210.db2.gz JENHZRDPZYOJMW-NXEZZACHSA-N -2 0 361.347 0.630 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000275102517 488761828 /nfs/dbraw/zinc/76/18/28/488761828.db2.gz LSUFFSDSXRNGER-CQSZACIVSA-N -2 0 370.339 0.061 20 0 FCADRL CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000275105142 488761841 /nfs/dbraw/zinc/76/18/41/488761841.db2.gz MDSUOKYPYSSJBF-CQSZACIVSA-N -2 0 368.371 0.311 20 0 FCADRL Cc1cc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cnc1Cl ZINC000275175389 488769072 /nfs/dbraw/zinc/76/90/72/488769072.db2.gz WAGAVUGIUBMBOD-ZDUSSCGKSA-N -2 0 362.791 0.984 20 0 FCADRL C[C@@H]1Cc2cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc(Cl)c2O1 ZINC000275190490 488770719 /nfs/dbraw/zinc/77/07/19/488770719.db2.gz FMBQAHUOJBRXTH-LHLIQPBNSA-N -2 0 363.775 0.870 20 0 FCADRL COC(=O)c1cc(OC)c(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])s1 ZINC000275259352 488778065 /nfs/dbraw/zinc/77/80/65/488778065.db2.gz LZMLDUIQMQXRQX-YFKPBYRVSA-N -2 0 373.355 0.930 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1sccc1Br)C(=O)[O-] ZINC000166505583 488811959 /nfs/dbraw/zinc/81/19/59/488811959.db2.gz WKHPZJHIBYMHSJ-RXMQYKEDSA-N -2 0 358.191 0.717 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s1 ZINC000298867904 489375928 /nfs/dbraw/zinc/37/59/28/489375928.db2.gz SRUJLQVUPKITTH-LURJTMIESA-N -2 0 351.358 0.131 20 0 FCADRL CCc1oc(C(=O)OC)cc1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000555470319 491251016 /nfs/dbraw/zinc/25/10/16/491251016.db2.gz QPHAAESWBJBAMD-ZETCQYMHSA-N -2 0 363.344 0.225 20 0 FCADRL CCCc1nc(=NC(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)s[n-]1 ZINC000417801349 489665974 /nfs/dbraw/zinc/66/59/74/489665974.db2.gz VRDLEYIWYUZICL-KOLCDFICSA-N -2 0 369.447 0.744 20 0 FCADRL CCCN(CC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000571166099 491289694 /nfs/dbraw/zinc/28/96/94/491289694.db2.gz RZIGDHAOBGXJCG-UHFFFAOYSA-N -2 0 350.343 0.566 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])cn1 ZINC000462384959 489972669 /nfs/dbraw/zinc/97/26/69/489972669.db2.gz SDEIXPAQSUCSIM-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)Cc2cccc(F)c2F)C[C@H]1C(=O)[O-] ZINC000571214452 491293352 /nfs/dbraw/zinc/29/33/52/491293352.db2.gz KZUPJJZAFCCOAA-VHSXEESVSA-N -2 0 363.338 0.902 20 0 FCADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000391565643 490141656 /nfs/dbraw/zinc/14/16/56/490141656.db2.gz IYOYCHNQSZQEMX-UHFFFAOYSA-N -2 0 353.356 0.632 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cn1 ZINC000391846119 490144699 /nfs/dbraw/zinc/14/46/99/490144699.db2.gz OTGAWTKZXIHBKD-UHFFFAOYSA-N -2 0 352.372 0.057 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2C(N)=O)cc1CC(=O)[O-] ZINC000546180618 490204449 /nfs/dbraw/zinc/20/44/49/490204449.db2.gz GYKZZNYXKRVOQS-UHFFFAOYSA-N -2 0 368.371 0.254 20 0 FCADRL Cc1nc(=NC(=O)Cc2occc2C(=O)N=c2nc(C)[n-]s2)s[n-]1 ZINC000498340485 490286481 /nfs/dbraw/zinc/28/64/81/490286481.db2.gz XYUVUPHKCWMBNR-UHFFFAOYSA-N -2 0 364.412 0.877 20 0 FCADRL CC1(C)C(=O)Nc2ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc21 ZINC000547547556 490313101 /nfs/dbraw/zinc/31/31/01/490313101.db2.gz JZGWSNPRUKTEOY-UHFFFAOYSA-N -2 0 356.356 0.076 20 0 FCADRL COc1ccc(OC)c(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)c1 ZINC000547593523 490325234 /nfs/dbraw/zinc/32/52/34/490325234.db2.gz WXXUJEFUGGJLSH-HNNXBMFYSA-N -2 0 373.383 0.644 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cc(Br)ccc1F ZINC000547876529 490374055 /nfs/dbraw/zinc/37/40/55/490374055.db2.gz MQGDVUQAQQDTMQ-UHFFFAOYSA-N -2 0 370.152 0.748 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cn1 ZINC000547885449 490377422 /nfs/dbraw/zinc/37/74/22/490377422.db2.gz NAKGOVDYYYKJIV-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)COC3)C[C@H]1C(=O)[O-] ZINC000547921221 490386778 /nfs/dbraw/zinc/38/67/78/490386778.db2.gz GDLCKZOPZFMRRB-QWHCGFSZSA-N -2 0 355.368 0.513 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1cnn(-c2ccccc2F)c1)C(=O)[O-] ZINC000547921447 490386849 /nfs/dbraw/zinc/38/68/49/490386849.db2.gz CXDLKRAIXAEHPO-NSHDSACASA-N -2 0 371.346 0.608 20 0 FCADRL NC(=O)C(=O)Nc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000509390983 490421663 /nfs/dbraw/zinc/42/16/63/490421663.db2.gz JNGAILALYLFJFU-UHFFFAOYSA-N -2 0 369.380 0.671 20 0 FCADRL CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)[N-]c1ccnn1C ZINC000534900049 490424384 /nfs/dbraw/zinc/42/43/84/490424384.db2.gz KWEBPEYCAAVKAL-UHFFFAOYSA-N -2 0 374.444 0.991 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC)cn1 ZINC000484555285 490440510 /nfs/dbraw/zinc/44/05/10/490440510.db2.gz RCFPCNBTPZLPJE-UHFFFAOYSA-N -2 0 369.355 0.564 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cn1 ZINC000484570592 490442881 /nfs/dbraw/zinc/44/28/81/490442881.db2.gz KXFWACNYFSUHMK-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL COCCOc1cc([N-]S(=O)(=O)c2c[nH]cn2)c(C(=O)[O-])cc1OC ZINC000509656397 490448455 /nfs/dbraw/zinc/44/84/55/490448455.db2.gz ZBLXIHYAIJTOTC-UHFFFAOYSA-N -2 0 371.371 0.943 20 0 FCADRL CCCSC[C@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)C(=O)[O-] ZINC000548250385 490450638 /nfs/dbraw/zinc/45/06/38/490450638.db2.gz WZWXLIOQNUDLAG-ZETCQYMHSA-N -2 0 368.458 0.804 20 0 FCADRL CCn1cnc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2-n2cnnc2)c1 ZINC000548268829 490454015 /nfs/dbraw/zinc/45/40/15/490454015.db2.gz JNMQJBONDLWERA-UHFFFAOYSA-N -2 0 362.371 0.983 20 0 FCADRL COCCOc1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000548556087 490505266 /nfs/dbraw/zinc/50/52/66/490505266.db2.gz JVFVTLOEJWLIHI-SNVBAGLBSA-N -2 0 361.372 0.166 20 0 FCADRL COCc1ccccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000548573168 490508345 /nfs/dbraw/zinc/50/83/45/490508345.db2.gz GAWRZLCKUZTMQS-VXGBXAGGSA-N -2 0 357.384 0.629 20 0 FCADRL CCc1noc2ncc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc12 ZINC000548591281 490513349 /nfs/dbraw/zinc/51/33/49/490513349.db2.gz LCMSXVFUFMGQET-AWEZNQCLSA-N -2 0 371.371 0.629 20 0 FCADRL COC(=O)Cc1ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC000548588651 490513735 /nfs/dbraw/zinc/51/37/35/490513735.db2.gz QAFGNVUDQXVNQO-HNNXBMFYSA-N -2 0 373.383 0.246 20 0 FCADRL C[C@](CNS(=O)(=O)c1cc(F)c(F)c(F)c1)(CC(=O)[O-])C(=O)[O-] ZINC000548594306 490514640 /nfs/dbraw/zinc/51/46/40/490514640.db2.gz DZXCHHDHULOJQD-GFCCVEGCSA-N -2 0 355.290 0.948 20 0 FCADRL NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC000485250761 490519176 /nfs/dbraw/zinc/51/91/76/490519176.db2.gz FBFKPMKIWNCCMG-UHFFFAOYSA-N -2 0 374.371 0.972 20 0 FCADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c(O)c1 ZINC000524475715 490539622 /nfs/dbraw/zinc/53/96/22/490539622.db2.gz FCRROWRDTSHWGO-UHFFFAOYSA-N -2 0 361.339 0.867 20 0 FCADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC(=O)[O-])cc2)c1 ZINC000501259730 490592205 /nfs/dbraw/zinc/59/22/05/490592205.db2.gz UILMCYPOLZOZOB-UHFFFAOYSA-N -2 0 364.383 0.587 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(=O)N3C)cc1C(=O)[O-] ZINC000525680617 490618356 /nfs/dbraw/zinc/61/83/56/490618356.db2.gz JXGYZTMHWQIEHW-UHFFFAOYSA-N -2 0 365.367 0.879 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])ccc1OC ZINC000536991368 490631934 /nfs/dbraw/zinc/63/19/34/490631934.db2.gz LKAXWYKLHGDSCU-UHFFFAOYSA-N -2 0 369.355 0.714 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c(F)c1 ZINC000514982074 490801253 /nfs/dbraw/zinc/80/12/53/490801253.db2.gz CUABNAARTLNOJS-UHFFFAOYSA-N -2 0 357.319 0.845 20 0 FCADRL Cc1cc(C(=O)Nc2nc(CC(N)=O)cs2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000530569089 490913386 /nfs/dbraw/zinc/91/33/86/490913386.db2.gz FLLZFOSLRFYRDM-UHFFFAOYSA-N -2 0 360.355 0.481 20 0 FCADRL O=C([O-])[C@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000569576660 491170254 /nfs/dbraw/zinc/17/02/54/491170254.db2.gz DMGNAOYRXWZONJ-LLVKDONJSA-N -2 0 362.354 0.709 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccc3c2OCO3)C[C@@H]1C(=O)[O-] ZINC000573388098 491430310 /nfs/dbraw/zinc/43/03/10/491430310.db2.gz HILLTTLXKYUCFC-BDAKNGLRSA-N -2 0 357.340 0.211 20 0 FCADRL COC(=O)C[C@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000567740411 491526550 /nfs/dbraw/zinc/52/65/50/491526550.db2.gz WDWVKFWGHPACOH-LURJTMIESA-N -2 0 359.253 0.538 20 0 FCADRL CC1(C)CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@H]1C(=O)[O-] ZINC000560889239 491562512 /nfs/dbraw/zinc/56/25/12/491562512.db2.gz WJYWIXIUTZVQLD-VIFPVBQESA-N -2 0 368.371 0.310 20 0 FCADRL COCc1ccc(OC)c(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000579839380 491706571 /nfs/dbraw/zinc/70/65/71/491706571.db2.gz VAIPLXMKDNEAMD-JTQLQIEISA-N -2 0 361.372 0.295 20 0 FCADRL CNC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000588077888 491738539 /nfs/dbraw/zinc/73/85/39/491738539.db2.gz KCHBPPMJFGGFEA-UHFFFAOYSA-N -2 0 367.383 0.892 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c(F)c1 ZINC000581422281 491772072 /nfs/dbraw/zinc/77/20/72/491772072.db2.gz HSDYEDSXJWYMFN-NXEZZACHSA-N -2 0 361.347 0.630 20 0 FCADRL COC(=O)c1nscc1S(=O)(=O)N[C@H](C)[C@@H](C(=O)[O-])C(C)C ZINC000581483701 491774659 /nfs/dbraw/zinc/77/46/59/491774659.db2.gz DUMKOCDNPIPBFZ-APPZFPTMSA-N -2 0 350.418 0.953 20 0 FCADRL C[C@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@@H]1C(=O)[O-] ZINC000583935079 491854951 /nfs/dbraw/zinc/85/49/51/491854951.db2.gz NOGICAYISIFHKP-XVKPBYJWSA-N -2 0 368.371 0.167 20 0 FCADRL COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000614327618 492024477 /nfs/dbraw/zinc/02/44/77/492024477.db2.gz JPKQIXNAFFHFEW-SECBINFHSA-N -2 0 363.319 0.209 20 0 FCADRL O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000614518589 492037286 /nfs/dbraw/zinc/03/72/86/492037286.db2.gz IJTSXGJTSOQCCS-NSHDSACASA-N -2 0 356.342 0.873 20 0 FCADRL CC[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000647629300 492338969 /nfs/dbraw/zinc/33/89/69/492338969.db2.gz JLJFMCNCDLATDN-GMSGAONNSA-N -2 0 368.371 0.452 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC2=O)C(=O)[O-] ZINC000654767953 492348963 /nfs/dbraw/zinc/34/89/63/492348963.db2.gz AVSCGIJUDRPTBG-GFCCVEGCSA-N -2 0 355.368 0.802 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655568421 492458034 /nfs/dbraw/zinc/45/80/34/492458034.db2.gz JTBPVRZQYUWUOD-GFCCVEGCSA-N -2 0 359.386 0.963 20 0 FCADRL CCC(CC)(C(=O)[O-])C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000653310024 493091599 /nfs/dbraw/zinc/09/15/99/493091599.db2.gz RYVKZDOQOYGIIA-LLVKDONJSA-N -2 0 354.403 0.802 20 0 FCADRL CNS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@@H](OC)C(C)C)c1 ZINC000647133358 493169626 /nfs/dbraw/zinc/16/96/26/493169626.db2.gz AVXWXKAJSPRTQB-CYBMUJFWSA-N -2 0 366.461 0.713 20 0 FCADRL COc1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1NC(C)=O ZINC000681578203 493189220 /nfs/dbraw/zinc/18/92/20/493189220.db2.gz KYMUZFBHPUXHIV-VIFPVBQESA-N -2 0 374.371 0.107 20 0 FCADRL CC(=O)NCCN(C(=O)c1ccc(OCC(=O)[O-])cc1)[C@H](C)C(=O)[O-] ZINC000659761619 493288222 /nfs/dbraw/zinc/28/82/22/493288222.db2.gz PAAQIPYSJZWPMA-SNVBAGLBSA-N -2 0 352.343 0.201 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000682896427 493325749 /nfs/dbraw/zinc/32/57/49/493325749.db2.gz LNNWXOIBEGWRFV-SSDOTTSWSA-N -2 0 356.278 0.697 20 0 FCADRL CCCCN(C)S(=O)(=O)N[C@@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684561495 493419043 /nfs/dbraw/zinc/41/90/43/493419043.db2.gz FDIOOKAANVLRLU-AWEZNQCLSA-N -2 0 372.443 0.876 20 0 FCADRL COCC[C@@H](C)S(=O)(=O)N[C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684561791 493419115 /nfs/dbraw/zinc/41/91/15/493419115.db2.gz MHKCCFAUPVBILI-BXUZGUMPSA-N -2 0 373.427 0.654 20 0 FCADRL O=C([O-])Cc1ccc(C[C@@H](NS(=O)(=O)[C@@H]2CCOC2)C(=O)[O-])cc1 ZINC000684562525 493419192 /nfs/dbraw/zinc/41/91/92/493419192.db2.gz ZUBUHRCMHSHMQD-CHWSQXEVSA-N -2 0 357.384 0.018 20 0 FCADRL COc1cc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)c(Cl)cc1C(=O)[O-] ZINC000671661450 493701922 /nfs/dbraw/zinc/70/19/22/493701922.db2.gz SCUYZXDFGDWIEI-UHFFFAOYSA-N -2 0 374.762 0.670 20 0 FCADRL COc1cc(F)c(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1OC ZINC000324156491 546847607 /nfs/dbraw/zinc/84/76/07/546847607.db2.gz BIHVWKRSSAJPFZ-MRVPVSSYSA-N -2 0 365.335 0.439 20 0 FCADRL O=C([O-])CSCC(=O)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000740486849 597106618 /nfs/dbraw/zinc/10/66/18/597106618.db2.gz LAKLIQGKAFTHSU-UHFFFAOYSA-N -2 0 369.218 0.467 20 0 FCADRL CN(CCC(=O)[O-])C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000820580037 598195648 /nfs/dbraw/zinc/19/56/48/598195648.db2.gz QSNIWWIYQCXUPA-SECBINFHSA-N -2 0 374.371 0.064 20 0 FCADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1S(N)(=O)=O ZINC000738633045 599736367 /nfs/dbraw/zinc/73/63/67/599736367.db2.gz WFLQLUUQWYRJLQ-UHFFFAOYSA-N -2 0 360.369 0.734 20 0 FCADRL Cc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000319657842 599736935 /nfs/dbraw/zinc/73/69/35/599736935.db2.gz SHDWTGMBECUSHO-UHFFFAOYSA-N -2 0 360.369 0.734 20 0 FCADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)n1 ZINC000739919622 599739366 /nfs/dbraw/zinc/73/93/66/599739366.db2.gz CNXYFRDCMFKPRX-UHFFFAOYSA-N -2 0 352.328 0.099 20 0 FCADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)n1 ZINC000739920944 599739764 /nfs/dbraw/zinc/73/97/64/599739764.db2.gz YCKKEYPGEVDOCH-UHFFFAOYSA-N -2 0 353.356 0.930 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)C(=O)[O-])c2)no1 ZINC000738463420 599759954 /nfs/dbraw/zinc/75/99/54/599759954.db2.gz BIFLKKRYOQQGBK-VIFPVBQESA-N -2 0 353.356 0.987 20 0 FCADRL CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC000737544247 600056807 /nfs/dbraw/zinc/05/68/07/600056807.db2.gz BQKFLGNUOWCWFI-UHFFFAOYSA-N -2 0 363.351 0.258 20 0 FCADRL O=C([O-])[C@H]1C[C@H]1C(=O)Nc1nnc([N-]S(=O)(=O)c2ccccc2)s1 ZINC000739551892 600113818 /nfs/dbraw/zinc/11/38/18/600113818.db2.gz FFUGKDJHGUKZIC-BDAKNGLRSA-N -2 0 368.396 0.998 20 0 FCADRL COc1ccc([C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C(=O)[O-])cc1 ZINC000737959947 600153657 /nfs/dbraw/zinc/15/36/57/600153657.db2.gz GSOIZDAQDOXNKB-ZDUSSCGKSA-N -2 0 357.326 0.022 20 0 FCADRL Cn1nnc2cc(C(=O)[N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)ccc21 ZINC000739062538 600163062 /nfs/dbraw/zinc/16/30/62/600163062.db2.gz TVLRHOMFHRCLKH-UHFFFAOYSA-N -2 0 366.380 0.847 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CC3)C2)s1 ZINC000740174112 600163256 /nfs/dbraw/zinc/16/32/56/600163256.db2.gz SHCMBQGZKJXSEC-ZETCQYMHSA-N -2 0 358.397 0.262 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000738163320 600183037 /nfs/dbraw/zinc/18/30/37/600183037.db2.gz AYBCFEUJLCWCHN-UHFFFAOYSA-N -2 0 357.323 0.195 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2C)c1C(=O)[O-] ZINC000738660490 600231048 /nfs/dbraw/zinc/23/10/48/600231048.db2.gz PXHGCLNXTGWJOO-UHFFFAOYSA-N -2 0 373.412 0.929 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(CC(=O)N(C)C)cc2)c1C(=O)[O-] ZINC000738829300 600232651 /nfs/dbraw/zinc/23/26/51/600232651.db2.gz PXRVAOWMNKBLFC-UHFFFAOYSA-N -2 0 366.399 0.848 20 0 FCADRL NC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC000739160035 600232764 /nfs/dbraw/zinc/23/27/64/600232764.db2.gz FLQFIOJZUZHZOY-UHFFFAOYSA-N -2 0 360.298 0.146 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC000737542302 600233746 /nfs/dbraw/zinc/23/37/46/600233746.db2.gz CRYBRLAANKFMTK-UHFFFAOYSA-N -2 0 374.325 0.406 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(N)=O)c1C(=O)[O-] ZINC000738828466 600234379 /nfs/dbraw/zinc/23/43/79/600234379.db2.gz CRSBZPFGSYMZDA-UHFFFAOYSA-N -2 0 358.763 0.969 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccccc2Cn2cncn2)c1C(=O)[O-] ZINC000738828217 600234409 /nfs/dbraw/zinc/23/44/09/600234409.db2.gz RYGIAZOJDROVMD-UHFFFAOYSA-N -2 0 362.371 0.857 20 0 FCADRL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-])c1 ZINC000737361945 600246858 /nfs/dbraw/zinc/24/68/58/600246858.db2.gz SJAQLQLAWQYCEO-UHFFFAOYSA-N -2 0 374.440 0.401 20 0 FCADRL C[C@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000736606962 600255030 /nfs/dbraw/zinc/25/50/30/600255030.db2.gz NUMSZHXJGOEFNZ-SECBINFHSA-N -2 0 368.367 0.889 20 0 FCADRL COc1ccc2c(c1)OC[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C2 ZINC000738079003 600460283 /nfs/dbraw/zinc/46/02/83/600460283.db2.gz FFPPCUHEVUUKNU-LLVKDONJSA-N -2 0 357.384 0.557 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000739691263 600460792 /nfs/dbraw/zinc/46/07/92/600460792.db2.gz HBIMJJZKQNKBRZ-UHFFFAOYSA-N -2 0 354.384 0.886 20 0 FCADRL CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736272267 600461265 /nfs/dbraw/zinc/46/12/65/600461265.db2.gz GPQIJQXZLHLKQF-SNVBAGLBSA-N -2 0 364.420 0.697 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000739692510 600463720 /nfs/dbraw/zinc/46/37/20/600463720.db2.gz QQEQIBKDKNSTSI-UHFFFAOYSA-N -2 0 367.383 0.579 20 0 FCADRL Cc1nn(C(F)F)c(C)c1CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000738906071 600465176 /nfs/dbraw/zinc/46/51/76/600465176.db2.gz QWQTVGHKUYGJHV-UHFFFAOYSA-N -2 0 353.347 0.748 20 0 FCADRL NC(=O)N[C@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccccc1 ZINC000739168027 600466046 /nfs/dbraw/zinc/46/60/46/600466046.db2.gz QKJGBDJQXXTLLW-LLVKDONJSA-N -2 0 357.388 0.097 20 0 FCADRL O=C([O-])[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000739549115 600518835 /nfs/dbraw/zinc/51/88/35/600518835.db2.gz RXXUSGAJQURCKX-VHSXEESVSA-N -2 0 353.331 0.537 20 0 FCADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cn1 ZINC000324416275 600529349 /nfs/dbraw/zinc/52/93/49/600529349.db2.gz XFMQIBBYCCGCME-UHFFFAOYSA-N -2 0 370.774 0.917 20 0 FCADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC000738463817 600529703 /nfs/dbraw/zinc/52/97/03/600529703.db2.gz PEDOVVFSRNJMSW-UHFFFAOYSA-N -3 0 355.328 0.481 20 0 FCADRL Cc1[nH]c(C(=O)CSc2n[n-]c3nc(=O)c(C)nn32)c(C)c1C(=O)[O-] ZINC000738379970 600552154 /nfs/dbraw/zinc/55/21/54/600552154.db2.gz WSMASPCFOHKDTR-UHFFFAOYSA-N -2 0 362.371 0.739 20 0 FCADRL CS(=O)(=O)CCn1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])n1 ZINC000738154448 600785474 /nfs/dbraw/zinc/78/54/74/600785474.db2.gz FRYLEYGCGKDSRK-UHFFFAOYSA-N -2 0 373.412 0.427 20 0 FCADRL O=C(CCCOc1cccnc1)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000833098510 600943924 /nfs/dbraw/zinc/94/39/24/600943924.db2.gz UDRFESSZJOPOBO-UHFFFAOYSA-N -2 0 371.415 0.398 20 0 FCADRL CN1CCN(c2ccncc2[N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000830960418 600979278 /nfs/dbraw/zinc/97/92/78/600979278.db2.gz MQNRIKMYVOSPOX-UHFFFAOYSA-N -2 0 365.415 0.661 20 0 FCADRL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccn1 ZINC000832725231 600982902 /nfs/dbraw/zinc/98/29/02/600982902.db2.gz JTDQKEHBJGHRQI-UHFFFAOYSA-N -2 0 356.381 0.984 20 0 FCADRL COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)n1 ZINC000831192577 600986741 /nfs/dbraw/zinc/98/67/41/600986741.db2.gz OREYBWZXVZVHRA-UHFFFAOYSA-N -2 0 354.344 0.259 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)n1 ZINC000833276943 600987509 /nfs/dbraw/zinc/98/75/09/600987509.db2.gz UBPJICARJYFVGY-UHFFFAOYSA-N -2 0 362.371 0.408 20 0 FCADRL CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1 ZINC000736124075 601047053 /nfs/dbraw/zinc/04/70/53/601047053.db2.gz SRJWBRTZSGCSRJ-UHFFFAOYSA-N -2 0 352.372 0.751 20 0 FCADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1-n1cnnn1 ZINC000738041886 601118270 /nfs/dbraw/zinc/11/82/70/601118270.db2.gz OKKSZFZMGBHBHD-UHFFFAOYSA-N -2 0 365.327 0.763 20 0 FCADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1nc2ncccn2n1 ZINC000831950420 601200924 /nfs/dbraw/zinc/20/09/24/601200924.db2.gz TUTMYXVXNPTYCU-UHFFFAOYSA-N -2 0 355.357 0.693 20 0 FCADRL Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3ccc(CC(=O)[O-])cc3)nc2n1 ZINC000832859286 601201172 /nfs/dbraw/zinc/20/11/72/601201172.db2.gz XGDUEMGZOWKLJK-UHFFFAOYSA-N -2 0 363.355 0.154 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC000391799078 601324346 /nfs/dbraw/zinc/32/43/46/601324346.db2.gz FLSYVVXDSIXOEU-UHFFFAOYSA-N -2 0 356.335 0.267 20 0 FCADRL COC[C@@](C)(NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)C(=O)[O-] ZINC000831608476 601693103 /nfs/dbraw/zinc/69/31/03/601693103.db2.gz QBIKIFSURLNRRR-MRXNPFEDSA-N -2 0 365.411 0.681 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)cc2[n-]c1=S ZINC000830412083 601766669 /nfs/dbraw/zinc/76/66/69/601766669.db2.gz MDZMVFQDIUZRDM-INIZCTEOSA-N -2 0 363.395 0.679 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)N[C@]3(C(=O)[O-])CCOC3)cc2[n-]c1=S ZINC000830412084 601766677 /nfs/dbraw/zinc/76/66/77/601766677.db2.gz MDZMVFQDIUZRDM-MRXNPFEDSA-N -2 0 363.395 0.679 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)cc1C(=O)[O-] ZINC000833053118 601783705 /nfs/dbraw/zinc/78/37/05/601783705.db2.gz QNFPCVTXJJEOKT-UHFFFAOYSA-N -2 0 362.371 0.715 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC000391862447 601828321 /nfs/dbraw/zinc/82/83/21/601828321.db2.gz XHRVJICJSDUSFP-UHFFFAOYSA-N -2 0 372.790 0.782 20 0 FCADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(C(=O)NCCO)cc1 ZINC000833140162 601835898 /nfs/dbraw/zinc/83/58/98/601835898.db2.gz KMONKALCZFNDCC-UHFFFAOYSA-N -2 0 371.396 0.364 20 0 FCADRL CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000831000846 601843750 /nfs/dbraw/zinc/84/37/50/601843750.db2.gz NPGOXHHLGRQWJB-UHFFFAOYSA-N -2 0 373.778 0.177 20 0 FCADRL CN1CCc2ccc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)cc2C1=O ZINC000830968502 602119100 /nfs/dbraw/zinc/11/91/00/602119100.db2.gz FJZKSVDCKUKNSR-UHFFFAOYSA-N -2 0 364.383 0.397 20 0 FCADRL Cc1nn(C)c(C)c1OCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000833014491 602187849 /nfs/dbraw/zinc/18/78/49/602187849.db2.gz YDMQQHVPVHSWOO-UHFFFAOYSA-N -2 0 367.383 0.619 20 0 FCADRL CC(C)[C@H](CCO)NC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1 ZINC000826688095 604310226 /nfs/dbraw/zinc/31/02/26/604310226.db2.gz UTGSWUWPLAPZKK-HNNXBMFYSA-N -2 0 361.398 0.930 20 0 FCADRL COC(=O)c1ccc(NC(=O)C(=O)[N-]OCC(F)(F)F)cc1C(=O)[O-] ZINC000831393492 604424820 /nfs/dbraw/zinc/42/48/20/604424820.db2.gz MXXJVIQICDKMDM-UHFFFAOYSA-N -2 0 364.232 0.720 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(OCC(=O)[O-])cc2)nc1C ZINC000833682345 604740115 /nfs/dbraw/zinc/74/01/15/604740115.db2.gz SOEUOCVEFZMVKO-UHFFFAOYSA-N -2 0 367.383 0.794 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)c1C(=O)[O-] ZINC000832992080 604793213 /nfs/dbraw/zinc/79/32/13/604793213.db2.gz WUFPWIRXOYENHG-UHFFFAOYSA-N -2 0 353.282 0.976 20 0 FCADRL C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000833408869 604880874 /nfs/dbraw/zinc/88/08/74/604880874.db2.gz XVOHCFRZYVZROW-BYPYZUCNSA-N -2 0 356.150 0.834 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cn2)cn1 ZINC000833274597 605014330 /nfs/dbraw/zinc/01/43/30/605014330.db2.gz HFWXEMZALQEITO-UHFFFAOYSA-N -2 0 365.371 0.290 20 0 FCADRL C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cncc(C(=O)[O-])c2)C1=O ZINC000833578723 605028886 /nfs/dbraw/zinc/02/88/86/605028886.db2.gz RQZXVSSARUBRLA-QGZVFWFLSA-N -2 0 354.322 0.892 20 0 FCADRL CS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000319852479 605049893 /nfs/dbraw/zinc/04/98/93/605049893.db2.gz PWITZHHKGJYLCT-UHFFFAOYSA-N -2 0 359.385 0.172 20 0 FCADRL CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)cn1C ZINC000833687566 605165393 /nfs/dbraw/zinc/16/53/93/605165393.db2.gz VKELIHVSHDTCMR-UHFFFAOYSA-N -2 0 352.372 0.621 20 0 FCADRL O=C([O-])[C@H](CO)NC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC000833767545 605244987 /nfs/dbraw/zinc/24/49/87/605244987.db2.gz GJUWHSSWBLOXJS-QMMMGPOBSA-N -2 0 356.278 0.123 20 0 FCADRL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]NC(=O)c1ccccn1 ZINC000066574881 664034055 /nfs/dbraw/zinc/03/40/55/664034055.db2.gz ZKTWRRDSDIKRRZ-UHFFFAOYSA-N -2 0 353.331 0.631 20 0 FCADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)C2(Cl)CC2)c1 ZINC000893233752 664217821 /nfs/dbraw/zinc/21/78/21/664217821.db2.gz QVQBRJLOWQMGEI-HXUWFJFHSA-N -2 0 351.833 0.978 20 0 FCADRL COc1ccccc1C(=O)N[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000067437618 665010790 /nfs/dbraw/zinc/01/07/90/665010790.db2.gz SWBPNTYBJHGWRH-UHFFFAOYSA-N -2 0 367.339 0.932 20 0 FCADRL Cc1cc(C)c(S(=O)(=O)[N-][N-]C(=O)c2cnccn2)cc1C(=O)[O-] ZINC000055579910 666543497 /nfs/dbraw/zinc/54/34/97/666543497.db2.gz IMQMLXKJBUBEJU-UHFFFAOYSA-N -3 0 350.356 0.415 20 0 FCADRL NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000324139712 666694435 /nfs/dbraw/zinc/69/44/35/666694435.db2.gz KFQQNSWWCWBQSB-UHFFFAOYSA-N -2 0 374.371 0.972 20 0 FCADRL COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C)C(=O)[O-] ZINC000917730157 667084685 /nfs/dbraw/zinc/08/46/85/667084685.db2.gz ZWSVGGXOMVCYNM-JTQLQIEISA-N -2 0 359.356 0.296 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000788206290 667710239 /nfs/dbraw/zinc/71/02/39/667710239.db2.gz XKGJJSXQVCADPX-QMMMGPOBSA-N -2 0 371.312 0.729 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H](O)C(F)(F)F ZINC000923255083 667819631 /nfs/dbraw/zinc/81/96/31/667819631.db2.gz HPMHZHARTRDJIU-XVMARJQXSA-N -2 0 352.231 0.506 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@H](O)C(F)(F)F ZINC000923255082 667819869 /nfs/dbraw/zinc/81/98/69/667819869.db2.gz HPMHZHARTRDJIU-VQVTYTSYSA-N -2 0 352.231 0.506 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)c1cccn1C ZINC000839067709 667975251 /nfs/dbraw/zinc/97/52/51/667975251.db2.gz WTKRFQLXSVSHBQ-VIFPVBQESA-N -2 0 355.338 0.533 20 0 FCADRL CCN(C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000744240896 668057862 /nfs/dbraw/zinc/05/78/62/668057862.db2.gz SRDMRZXUTDUQAL-UHFFFAOYSA-N -2 0 370.456 0.631 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)NC[C@](C)(O)C(=O)[O-])cc2[n-]c1=S ZINC000769745498 668151290 /nfs/dbraw/zinc/15/12/90/668151290.db2.gz JWHLACLCDDESFA-HNNXBMFYSA-N -2 0 351.384 0.271 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)OCc2n[nH]c(=O)[n-]2)c1 ZINC000774944216 668186155 /nfs/dbraw/zinc/18/61/55/668186155.db2.gz POIQBXJNJUFJQP-UHFFFAOYSA-N -2 0 369.359 0.197 20 0 FCADRL COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000776635754 668281223 /nfs/dbraw/zinc/28/12/23/668281223.db2.gz SJEMKOFCSKFAKL-ZPMKCOPCSA-N -2 0 371.367 0.327 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)OC3)C[C@@H]1C(=O)[O-] ZINC000776718650 668290289 /nfs/dbraw/zinc/29/02/89/668290289.db2.gz PHNOIJNYVLTGPR-PWSUYJOCSA-N -2 0 369.351 0.153 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc3c2COC3=O)C1 ZINC000776719294 668290329 /nfs/dbraw/zinc/29/03/29/668290329.db2.gz UMMBICLVANDAPY-HNNXBMFYSA-N -2 0 369.351 0.297 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)C3(C)CC3)cc2[n-]c1=S ZINC000806028490 668956304 /nfs/dbraw/zinc/95/63/04/668956304.db2.gz RXXUYDZCUGTFFQ-UHFFFAOYSA-N -2 0 353.425 0.834 20 0 FCADRL CCN=c1nc2[n-]nc(SCC(=O)[N-]OC3CCC3)n2c(NCC)n1 ZINC000812788079 669815716 /nfs/dbraw/zinc/81/57/16/669815716.db2.gz NWSBTRUZYGJFSD-UHFFFAOYSA-N -2 0 366.451 0.497 20 0 FCADRL Cc1c(S(=O)(=O)[N-]C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)cnn1C ZINC000816094491 669939956 /nfs/dbraw/zinc/93/99/56/669939956.db2.gz WCWOLQOCTBBKTP-VIFPVBQESA-N -2 0 370.353 0.237 20 0 FCADRL COCCO[N-]C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000817881985 670046560 /nfs/dbraw/zinc/04/65/60/670046560.db2.gz SURWABIFJXJSMI-UHFFFAOYSA-N -2 0 361.148 0.780 20 0 FCADRL CO[C@@H]1COCC[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000840891702 670524166 /nfs/dbraw/zinc/52/41/66/670524166.db2.gz ZOKQIUOTEVTLMW-QPUJVOFHSA-N -2 0 365.354 0.993 20 0 FCADRL Cc1ccncc1S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000842394762 670683384 /nfs/dbraw/zinc/68/33/84/670683384.db2.gz QYSSDVCSIMSBRB-UHFFFAOYSA-N -2 0 353.322 0.652 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1cc2c(cc1Cl)CCC2=O)C(=O)[O-] ZINC000844782797 670942303 /nfs/dbraw/zinc/94/23/03/670942303.db2.gz HTKRQZNNYIIVJF-VIFPVBQESA-N -2 0 361.759 0.675 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CCCF ZINC000849231874 671323510 /nfs/dbraw/zinc/32/35/10/671323510.db2.gz IZCGNIOUPOCFCD-SFYZADRCSA-N -2 0 364.317 0.272 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cscn1 ZINC000851700871 671460532 /nfs/dbraw/zinc/46/05/32/671460532.db2.gz DIKLCRTZCUXCOQ-XPUUQOCRSA-N -2 0 351.306 0.879 20 0 FCADRL Cc1cc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n(C)n1 ZINC000851703942 671462182 /nfs/dbraw/zinc/46/21/82/671462182.db2.gz RLQMWDAMOIGIQY-PSASIEDQSA-N -2 0 362.308 0.465 20 0 FCADRL Cc1nccc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1 ZINC000851704297 671462479 /nfs/dbraw/zinc/46/24/79/671462479.db2.gz VDTZVZOWSILSQU-SCZZXKLOSA-N -2 0 360.292 0.521 20 0 FCADRL Cc1nnsc1CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852733288 671520056 /nfs/dbraw/zinc/52/00/56/671520056.db2.gz OQYJJOLYPBHJFK-VXNVDRBHSA-N -2 0 352.338 0.943 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1csnn1 ZINC000852959271 671534167 /nfs/dbraw/zinc/53/41/67/671534167.db2.gz ZJHAIWGVAUVQCH-VDTYLAMSSA-N -2 0 352.294 0.274 20 0 FCADRL COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])CC2(C)C)cc1 ZINC000863954015 672164582 /nfs/dbraw/zinc/16/45/82/672164582.db2.gz IMMDGYHYMNKEPK-INIZCTEOSA-N -2 0 369.395 0.920 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000863955904 672165898 /nfs/dbraw/zinc/16/58/98/672165898.db2.gz DAIYEOGBVKTKOX-CQSZACIVSA-N -2 0 371.411 0.923 20 0 FCADRL O=C([O-])CCC(=O)[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000863956849 672166220 /nfs/dbraw/zinc/16/62/20/672166220.db2.gz UQAKXSIOAJSLEG-UHFFFAOYSA-N -2 0 362.747 0.341 20 0 FCADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000863957609 672166502 /nfs/dbraw/zinc/16/65/02/672166502.db2.gz QNYYDEAKEVVCEL-UHFFFAOYSA-N -2 0 364.405 0.192 20 0 FCADRL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)cc1 ZINC000863958222 672166824 /nfs/dbraw/zinc/16/68/24/672166824.db2.gz PSRWTNSNRBOWRL-UHFFFAOYSA-N -2 0 354.384 0.448 20 0 FCADRL COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000863959294 672167365 /nfs/dbraw/zinc/16/73/65/672167365.db2.gz ZTYDKZUAYIBMAV-NXEZZACHSA-N -2 0 373.383 0.407 20 0 FCADRL COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)c1 ZINC000863959739 672167663 /nfs/dbraw/zinc/16/76/63/672167663.db2.gz AZPKPJJFCCZEKX-UHFFFAOYSA-N -2 0 367.379 0.840 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CCc2ccc(Cl)cc2)O1 ZINC000863963025 672169506 /nfs/dbraw/zinc/16/95/06/672169506.db2.gz GREYAMWRSLHXIM-NEPJUHHUSA-N -2 0 361.803 0.961 20 0 FCADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)cc1 ZINC000863963643 672169883 /nfs/dbraw/zinc/16/98/83/672169883.db2.gz CSJPQBZEGYJIRF-LBPRGKRZSA-N -2 0 365.367 0.661 20 0 FCADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C1CCCC1 ZINC000863964558 672170523 /nfs/dbraw/zinc/17/05/23/672170523.db2.gz WJMQZPBJHZRDOG-YPMHNXCESA-N -2 0 371.415 0.540 20 0 FCADRL CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)[N-]n1c(=O)[n-][nH]c1=O ZINC000854612181 1209636002 /nfs/dbraw/zinc/63/60/02/1209636002.db2.gz GNNJYJKSFABQOV-UHFFFAOYSA-N -2 0 371.300 0.018 20 0 FCADRL CN(C)C(=O)COc1ccc(C(F)(F)C(=O)[N-]n2c(=O)[n-][nH]c2=O)cc1 ZINC000854614057 1209636079 /nfs/dbraw/zinc/63/60/79/1209636079.db2.gz WRAMYKGIUQCDTL-UHFFFAOYSA-N -2 0 371.300 0.018 20 0 FCADRL O=C([N-]NC(=O)NCCNC(=O)C1CC1)c1nn(-c2ccccc2)cc1[O-] ZINC000043308976 1211913265 /nfs/dbraw/zinc/91/32/65/1211913265.db2.gz COKMWNMFBWMBPI-UHFFFAOYSA-N -2 0 372.385 0.048 20 0 FCADRL CN1CC[C@@H](C(=O)N[N-]C(=O)c2nn(-c3ccccc3)cc2[O-])CC1=O ZINC000044341207 1211919896 /nfs/dbraw/zinc/91/98/96/1211919896.db2.gz UGSAYZGNQOWEFO-LLVKDONJSA-N -2 0 357.370 0.207 20 0 FCADRL COC(=O)c1ccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1OC ZINC001223288959 1225696408 /nfs/dbraw/zinc/69/64/08/1225696408.db2.gz UJDGUGNNXYMZQP-MFKMUULPSA-N -2 0 370.310 0.061 20 0 FCADRL Cc1nc(-c2ccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc2)no1 ZINC001223460963 1225707293 /nfs/dbraw/zinc/70/72/93/1225707293.db2.gz KRXMCDYIRXFDPB-DGCLKSJQSA-N -2 0 364.310 0.625 20 0 FCADRL COC(=O)c1cc(OC)ccc1COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001223697612 1225727344 /nfs/dbraw/zinc/72/73/44/1225727344.db2.gz YYZFSJPMWZGMSP-YPMHNXCESA-N -2 0 370.310 0.061 20 0 FCADRL O=C([O-])C[C@H](C(=O)OCc1ccc(C(=O)NC2CC2)cc1)[C@@H](O)C(=O)[O-] ZINC001223824788 1225739048 /nfs/dbraw/zinc/73/90/48/1225739048.db2.gz VCFVDURDZDQBSG-GXTWGEPZSA-N -2 0 365.338 0.158 20 0 FCADRL CC(C)C(=O)Oc1cccc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001223894921 1225743836 /nfs/dbraw/zinc/74/38/36/1225743836.db2.gz DTWUWFPJJLGUKN-JSGCOSHPSA-N -2 0 368.338 0.828 20 0 FCADRL Cc1cc(=O)oc2cc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc12 ZINC001226532566 1225846047 /nfs/dbraw/zinc/84/60/47/1225846047.db2.gz TVWRJOXCZGQUKV-CLAHSXSESA-N -3 0 366.278 0.249 20 0 FCADRL COc1ccc2[nH]c(=O)cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2c1 ZINC001226932866 1225858134 /nfs/dbraw/zinc/85/81/34/1225858134.db2.gz STVDOPHGNPRUJS-OTYXRUKQSA-N -2 0 365.294 0.391 20 0 FCADRL CCOC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(OC)c1 ZINC001228053095 1225894369 /nfs/dbraw/zinc/89/43/69/1225894369.db2.gz SPWMXRRLMBTQSL-ZANVPECISA-N -2 0 370.310 0.314 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc2c3c1CCCN3CCC2)[C@H](O)C(=O)[O-] ZINC001228426469 1225923500 /nfs/dbraw/zinc/92/35/00/1225923500.db2.gz LNINYKGCLRGWAJ-WBMJQRKESA-N -2 0 363.366 0.827 20 0 FCADRL Cc1cc(=O)oc2c1ccc(O)c2OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228622409 1225937478 /nfs/dbraw/zinc/93/74/78/1225937478.db2.gz IOSXLYFZTAVQSO-PRHODGIISA-N -2 0 366.278 0.249 20 0 FCADRL C[C@@H](CO[N-]C(=O)Cn1[n-]cc2c(=O)ncnc1-2)NC(=O)OC(C)(C)C ZINC000783664797 1221215401 /nfs/dbraw/zinc/21/54/01/1221215401.db2.gz ZWJFEBDUDGBKFS-VIFPVBQESA-N -2 0 366.378 0.032 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(-n2ccccc2=O)cc1)[C@H](O)C(=O)[O-] ZINC001229734613 1226031140 /nfs/dbraw/zinc/03/11/40/1226031140.db2.gz YZSVNBWDBFVTSD-DOMZBBRYSA-N -2 0 361.306 0.279 20 0 FCADRL CCOC(=O)/C=C/c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001230414038 1226082251 /nfs/dbraw/zinc/08/22/51/1226082251.db2.gz GUBQMSLGOTYQKV-XYZMPQSBSA-N -2 0 366.322 0.705 20 0 FCADRL COC(=O)c1cc(F)c(OC)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001231111693 1226099021 /nfs/dbraw/zinc/09/90/21/1226099021.db2.gz YACPUJWBQPEOAI-CPCISQLKSA-N -2 0 374.273 0.063 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(C(=O)c2ccncc2)cc1)[C@@H](O)C(=O)[O-] ZINC001231023574 1226094873 /nfs/dbraw/zinc/09/48/73/1226094873.db2.gz GORIZIABYDCHET-CZUORRHYSA-N -2 0 373.317 0.754 20 0 FCADRL Cc1cc(C(=O)N[C@@H]2CCOC23CCOCC3)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001158805868 1223109702 /nfs/dbraw/zinc/10/97/02/1223109702.db2.gz DUICYRUTVAJGFI-LLVKDONJSA-N -2 0 360.370 0.812 20 0 FCADRL Cc1cc(C(=O)N[C@H]2CCOC23CCOCC3)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001158805869 1223110057 /nfs/dbraw/zinc/11/00/57/1223110057.db2.gz DUICYRUTVAJGFI-NSHDSACASA-N -2 0 360.370 0.812 20 0 FCADRL Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c(C)nc[nH]c2=O)c1[O-] ZINC001002057079 1252424336 /nfs/dbraw/zinc/42/43/36/1252424336.db2.gz RAPVDWYXZRZBJM-MXWKQRLJSA-N -2 0 372.385 0.403 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ncccc1C(=O)c1ccccc1)[C@@H](O)C(=O)[O-] ZINC001234663829 1259563559 /nfs/dbraw/zinc/56/35/59/1259563559.db2.gz QBAALEKEVPGTSH-IUODEOHRSA-N -2 0 373.317 0.754 20 0 FCADRL COc1cc2c(ccnc2OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1F ZINC001234866488 1259564617 /nfs/dbraw/zinc/56/46/17/1259564617.db2.gz BUJGKKSQOKXPDZ-ZANVPECISA-N -2 0 367.285 0.824 20 0 FCADRL COc1cc(O)c(C)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1C(C)=O ZINC001234792736 1259565102 /nfs/dbraw/zinc/56/51/02/1259565102.db2.gz GVPCNEZPBIXXNR-OQPBUACISA-N -2 0 370.310 0.354 20 0 FCADRL COc1cc(F)cc(F)c1S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC001338370533 1267922402 /nfs/dbraw/zinc/92/24/02/1267922402.db2.gz ARDBXSQGXKWKJG-ZDUSSCGKSA-N -2 0 367.326 0.817 20 0 FCADRL CCC[C@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)c1nnn[n-]1 ZINC001566227215 1269624484 /nfs/dbraw/zinc/62/44/84/1269624484.db2.gz QQCFUOLUIIVHDW-JTQLQIEISA-N -2 0 374.373 0.414 20 0 FCADRL O=C([O-])[C@@H](CO)[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC001574817867 1271560862 /nfs/dbraw/zinc/56/08/62/1271560862.db2.gz ZCILQKOKPDBOOO-SSDOTTSWSA-N -2 0 364.173 0.919 20 0 FCADRL CCOC(=O)[C@H](C)N(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CC1 ZINC001578242554 1275545173 /nfs/dbraw/zinc/54/51/73/1275545173.db2.gz KHGXGXYFPLFXFR-VIFPVBQESA-N -2 0 372.389 0.531 20 0 FCADRL COC(=O)[C@@H]1CCN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)[C@H](C)C1 ZINC001579466628 1277363779 /nfs/dbraw/zinc/36/37/79/1277363779.db2.gz FMSZIKICGVCAJS-NXEZZACHSA-N -2 0 372.389 0.389 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)cs1 ZINC001603188633 1287324865 /nfs/dbraw/zinc/32/48/65/1287324865.db2.gz ORRXISLMAGOGIS-NKWVEPMBSA-N -2 0 369.442 0.320 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001603201700 1287329120 /nfs/dbraw/zinc/32/91/20/1287329120.db2.gz KHFIDUPRWRVMLC-FZMZJTMJSA-N -2 0 371.411 0.842 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc(N2CCCC2=O)ccc1F ZINC001603205553 1287330555 /nfs/dbraw/zinc/33/05/55/1287330555.db2.gz XCQLUNVFVBUKFM-QMMMGPOBSA-N -2 0 358.347 0.485 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cnn(-c2ccc(Cl)cc2)n1 ZINC001603204404 1287330602 /nfs/dbraw/zinc/33/06/02/1287330602.db2.gz OLWIMVXYIXMJRP-ZETCQYMHSA-N -2 0 358.763 0.453 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]c1c[nH]cc(Br)c1=O)C(=O)[O-] ZINC001603661478 1287461137 /nfs/dbraw/zinc/46/11/37/1287461137.db2.gz SPCYZVQLYCLQSA-UHFFFAOYSA-N -2 0 353.194 0.990 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001603668874 1287463213 /nfs/dbraw/zinc/46/32/13/1287463213.db2.gz KYGADTMGQULWLK-UHFFFAOYSA-N -3 0 372.277 0.240 20 0 FCADRL O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cccc(C(F)(F)F)c1[O-] ZINC001582528914 1281713011 /nfs/dbraw/zinc/71/30/11/1281713011.db2.gz SUIUWDUMKKXJIV-UHFFFAOYSA-N -2 0 368.279 0.613 20 0 FCADRL C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C[C@H]1CC(=O)[O-] ZINC001603913420 1287530396 /nfs/dbraw/zinc/53/03/96/1287530396.db2.gz WVGCVEQNKWOXLJ-RKDXNWHRSA-N -2 0 355.376 0.581 20 0 FCADRL C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)CC[C@H]1CCC(=O)[O-] ZINC001603939907 1287539911 /nfs/dbraw/zinc/53/99/11/1287539911.db2.gz XGDTXGTZZSVJRB-VHSXEESVSA-N -2 0 369.403 0.971 20 0 FCADRL O=C(c1ncccc1O)N1CCC[C@H](Nc2cncc(-c3nn[nH]n3)n2)C1 ZINC001582751584 1281975967 /nfs/dbraw/zinc/97/59/67/1281975967.db2.gz MQRAHNSWJXFHCA-JTQLQIEISA-N -2 0 367.373 0.474 20 0 FCADRL C[C@@H](CS(=O)(=O)N(CC(=O)[O-])Cc1ccc2c(c1)OCCO2)C(=O)[O-] ZINC001604206381 1287590135 /nfs/dbraw/zinc/59/01/35/1287590135.db2.gz IWFRUXIEWCZJEN-JTQLQIEISA-N -2 0 373.383 0.395 20 0 FCADRL C[C@H](CS(=O)(=O)NCCc1nc2cc(C(=O)[O-])ccc2[nH]1)C(=O)[O-] ZINC001604209048 1287592040 /nfs/dbraw/zinc/59/20/40/1287592040.db2.gz IJSROADIRGENQY-MRVPVSSYSA-N -2 0 355.372 0.444 20 0 FCADRL CC1(C)CC[C@@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)O1 ZINC001590088925 1283211215 /nfs/dbraw/zinc/21/12/15/1283211215.db2.gz KAYKRJMPXFEJFF-JTQLQIEISA-N -2 0 359.346 0.616 20 0 FCADRL C[C@@H]1C[C@@H](C)[C@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)O1 ZINC001590190771 1283295639 /nfs/dbraw/zinc/29/56/39/1283295639.db2.gz GHGWMAZGZHGRNZ-DNSOKLHBSA-N -2 0 359.346 0.472 20 0 FCADRL CN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)Cc1cccc(=O)[nH]1 ZINC001591130756 1284205248 /nfs/dbraw/zinc/20/52/48/1284205248.db2.gz RRVYKLYYAWZVOJ-UHFFFAOYSA-N -2 0 353.346 0.348 20 0 FCADRL COc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)cccc1C(N)=O ZINC001591479765 1284656121 /nfs/dbraw/zinc/65/61/21/1284656121.db2.gz YKUKFGMPLKTBNK-UHFFFAOYSA-N -2 0 364.343 0.368 20 0 FCADRL COc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001591507138 1284692451 /nfs/dbraw/zinc/69/24/51/1284692451.db2.gz SZNSXDANINCRPZ-SNVBAGLBSA-N -2 0 367.387 0.361 20 0 FCADRL Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001592451176 1285386756 /nfs/dbraw/zinc/38/67/56/1285386756.db2.gz ZGMXMHHXCSYMNX-UHFFFAOYSA-N -2 0 373.358 0.545 20 0 FCADRL O=C([O-])[C@]12C[C@H]1CCCN2S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001593278802 1286061754 /nfs/dbraw/zinc/06/17/54/1286061754.db2.gz CDBCILITBLBNEY-KRTXAFLBSA-N -2 0 355.401 0.556 20 0 FCADRL O=C([O-])[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001593279263 1286061809 /nfs/dbraw/zinc/06/18/09/1286061809.db2.gz AVGFEGJQXFGNEW-SFYZADRCSA-N -2 0 357.417 0.850 20 0 FCADRL O=C(OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CCC(O)CC1 ZINC001593295943 1286066972 /nfs/dbraw/zinc/06/69/72/1286066972.db2.gz WBBJWPPFPIMNHA-UHFFFAOYSA-N -2 0 359.346 0.209 20 0 FCADRL O=C(OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@H]1C[C@@]12CCOC2 ZINC001593295067 1286067974 /nfs/dbraw/zinc/06/79/74/1286067974.db2.gz BRZIVJDOIRWRRW-MEBBXXQBSA-N -2 0 357.330 0.085 20 0 FCADRL O=C1C[C@H](c2cccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)o3)c2)CN1 ZINC001593384119 1286104277 /nfs/dbraw/zinc/10/42/77/1286104277.db2.gz KVTIAUJUUMCTAW-JTQLQIEISA-N -2 0 374.382 0.864 20 0 FCADRL O=S(=O)([N-]c1cccc(-n2ccnn2)c1)c1ccc(-c2nnn[n-]2)o1 ZINC001593445122 1286158950 /nfs/dbraw/zinc/15/89/50/1286158950.db2.gz KLTQTVMDYFPUQV-UHFFFAOYSA-N -2 0 358.343 0.841 20 0 FCADRL Cc1c([C@H](NS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C(=O)[O-])cnn1C ZINC001600009027 1286422895 /nfs/dbraw/zinc/42/28/95/1286422895.db2.gz GUOFIYATEWIRQO-WCQGTBRESA-N -2 0 359.404 0.417 20 0 FCADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nn(C)cc1C(N)=O ZINC001600020062 1286425715 /nfs/dbraw/zinc/42/57/15/1286425715.db2.gz AWGIEUYQEGIABK-UHFFFAOYSA-N -2 0 356.335 0.466 20 0 FCADRL Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)C(=O)[N-]OCCCC(=O)[O-] ZINC001600060497 1286434822 /nfs/dbraw/zinc/43/48/22/1286434822.db2.gz LAIKNVDBARVZMZ-UHFFFAOYSA-N -2 0 362.342 0.737 20 0 FCADRL Cc1cc(C)cc(C[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])C(=O)[O-])c1 ZINC001600172590 1286450279 /nfs/dbraw/zinc/45/02/79/1286450279.db2.gz YQSDNBWULWVLPW-ZDUSSCGKSA-N -2 0 358.416 0.540 20 0 FCADRL Cc1cc(C)n(C[C@@H](NS(=O)(=O)CC2(C(=O)[O-])CCCC2)C(=O)[O-])n1 ZINC001600178804 1286450373 /nfs/dbraw/zinc/45/03/73/1286450373.db2.gz LDFOMXCKGXWSJJ-GFCCVEGCSA-N -2 0 373.431 0.518 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2ccn(CC(=O)N(C)C)n2)oc1C(=O)[O-] ZINC001600301748 1286472895 /nfs/dbraw/zinc/47/28/95/1286472895.db2.gz YGKXLEICALDULF-UHFFFAOYSA-N -2 0 356.360 0.372 20 0 FCADRL Cc1ccc(-n2[n-]c(C(=O)N[C@H](Cc3c[nH]cn3)C(=O)[O-])cc2=O)cc1 ZINC001600321871 1286477195 /nfs/dbraw/zinc/47/71/95/1286477195.db2.gz WNQUKELHUQGQKF-CQSZACIVSA-N -2 0 355.354 0.623 20 0 FCADRL Cc1ccc([C@@H](CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)C(=O)[O-])cc1 ZINC001600376592 1286481280 /nfs/dbraw/zinc/48/12/80/1286481280.db2.gz AAANBRCWUAQXHL-OAHLLOKOSA-N -2 0 366.381 0.981 20 0 FCADRL Cc1ccc(CN2C(=O)CC[C@H]2C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1 ZINC001600411650 1286484200 /nfs/dbraw/zinc/48/42/00/1286484200.db2.gz MIBLKERZQGSXCE-YPMHNXCESA-N -2 0 368.411 0.405 20 0 FCADRL Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1C(=O)[O-] ZINC001600479290 1286494021 /nfs/dbraw/zinc/49/40/21/1286494021.db2.gz RTEQKFJALIZCDV-LBPRGKRZSA-N -2 0 353.356 0.391 20 0 FCADRL Cc1ccccc1CNC(=O)[C@H](C)S(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001600580230 1286509246 /nfs/dbraw/zinc/50/92/46/1286509246.db2.gz AAZYEFDYLYTPHH-JTQLQIEISA-N -2 0 351.384 0.895 20 0 FCADRL Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CCc1ccccc1C(=O)[O-] ZINC001600635466 1286518596 /nfs/dbraw/zinc/51/85/96/1286518596.db2.gz KRCATCBPNNDLID-UHFFFAOYSA-N -2 0 351.384 0.864 20 0 FCADRL Cc1cnn(C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)C(=O)[O-])c1 ZINC001600636615 1286518735 /nfs/dbraw/zinc/51/87/35/1286518735.db2.gz IADRHDYNCMRKST-LLVKDONJSA-N -2 0 371.346 0.461 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccsc2)c1C(=O)[O-] ZINC001600673146 1286523972 /nfs/dbraw/zinc/52/39/72/1286523972.db2.gz OPCRNVQLNZLPMF-MRVPVSSYSA-N -2 0 359.385 0.972 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccsc2)c1C(=O)[O-] ZINC001600673147 1286524020 /nfs/dbraw/zinc/52/40/20/1286524020.db2.gz OPCRNVQLNZLPMF-QMMMGPOBSA-N -2 0 359.385 0.972 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])c1C(=O)[O-] ZINC001600673442 1286524983 /nfs/dbraw/zinc/52/49/83/1286524983.db2.gz QMIUWWNFUDKHAG-JTQLQIEISA-N -2 0 371.346 0.530 20 0 FCADRL Cc1nc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])nn1-c1ccccc1 ZINC001600684845 1286527459 /nfs/dbraw/zinc/52/74/59/1286527459.db2.gz AKODRPUAXRSZMM-ZJUUUORDSA-N -2 0 366.399 0.745 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]C(=O)CCc2ccccc2C(=O)[O-])cn1C ZINC001600719242 1286532054 /nfs/dbraw/zinc/53/20/54/1286532054.db2.gz NZBUCPDVTOBHDA-UHFFFAOYSA-N -2 0 351.384 0.864 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]C(=O)CCc2ccc(C(=O)[O-])cc2)cn1C ZINC001600719690 1286532150 /nfs/dbraw/zinc/53/21/50/1286532150.db2.gz WJUWPXRHFWSSME-UHFFFAOYSA-N -2 0 351.384 0.864 20 0 FCADRL Cc1nn(C)c2nc(C3CC3)cc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c12 ZINC001600776207 1286542294 /nfs/dbraw/zinc/54/22/94/1286542294.db2.gz ACWJAXQZTJPFDT-UHFFFAOYSA-N -2 0 366.399 0.688 20 0 FCADRL Cc1oc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])cc1S(C)(=O)=O ZINC001600823229 1286552128 /nfs/dbraw/zinc/55/21/28/1286552128.db2.gz IZVUJVOBKUZNOO-POYBYMJQSA-N -2 0 367.401 0.160 20 0 FCADRL Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001600858837 1286558821 /nfs/dbraw/zinc/55/88/21/1286558821.db2.gz GYDSPSNKMNCVMV-SVRRBLITSA-N -2 0 371.371 0.004 20 0 FCADRL Cn1c(=O)c2ccc(C(=O)NC[C@@]3(C(=O)[O-])CCOC3)cc2[n-]c1=S ZINC001600920488 1286569055 /nfs/dbraw/zinc/56/90/55/1286569055.db2.gz YOBBUDIOSNZKDF-INIZCTEOSA-N -2 0 363.395 0.443 20 0 FCADRL Cn1cc([C@H](NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)C(=O)[O-])cn1 ZINC001600938238 1286574618 /nfs/dbraw/zinc/57/46/18/1286574618.db2.gz CFXOFAVPJUPFKO-NSHDSACASA-N -2 0 357.319 0.362 20 0 FCADRL Cn1cc([C@H]([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)C(F)(F)F)cn1 ZINC001600939319 1286575466 /nfs/dbraw/zinc/57/54/66/1286575466.db2.gz HGINKYZEBDVCLA-JTQLQIEISA-N -2 0 367.309 0.283 20 0 FCADRL Cn1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C2CCOCC2)cc1C(=O)[O-] ZINC001600968455 1286583836 /nfs/dbraw/zinc/58/38/36/1286583836.db2.gz WNDRDDBXKOFLQK-LLVKDONJSA-N -2 0 360.388 0.272 20 0 FCADRL Cn1ccc(Nc2ccc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cc2)n1 ZINC001600977557 1286586987 /nfs/dbraw/zinc/58/69/87/1286586987.db2.gz VRBWDFBGLOYTOP-UHFFFAOYSA-N -2 0 352.372 0.698 20 0 FCADRL Cn1nccc1[C@H](NS(=O)(=O)c1ccc(CC(=O)[O-])s1)C(=O)[O-] ZINC001601035256 1286613229 /nfs/dbraw/zinc/61/32/29/1286613229.db2.gz NSSBVHJZNVFIMC-NSHDSACASA-N -2 0 359.385 0.213 20 0 FCADRL Cn1nccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CCO1 ZINC001601036248 1286613867 /nfs/dbraw/zinc/61/38/67/1286613867.db2.gz FMZLDMUQDOCVCG-LDYMZIIASA-N -2 0 356.360 0.305 20 0 FCADRL NC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC001601145480 1286653811 /nfs/dbraw/zinc/65/38/11/1286653811.db2.gz QIHMSPQSSXWSHI-CHWSQXEVSA-N -2 0 368.411 0.623 20 0 FCADRL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)s1 ZINC001601167622 1286669479 /nfs/dbraw/zinc/66/94/79/1286669479.db2.gz WUHVMTAOVBWSAZ-ZKCHVHJHSA-N -2 0 360.413 0.543 20 0 FCADRL O=C([O-])[C@H](NC(=O)CCc1nnn[n-]1)c1ccccc1Br ZINC001601295974 1286713978 /nfs/dbraw/zinc/71/39/78/1286713978.db2.gz MTYBQJMOMYUNOA-LLVKDONJSA-N -2 0 354.164 0.837 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)COCCc1ccccc1 ZINC001601338812 1286730820 /nfs/dbraw/zinc/73/08/20/1286730820.db2.gz PNZHDYDZWGWKMO-UHFFFAOYSA-N -2 0 370.408 0.906 20 0 FCADRL O=C([O-])c1cnc(S(=O)(=O)CC(=O)NCCOc2ccc(F)cc2)[n-]1 ZINC001601346852 1286733201 /nfs/dbraw/zinc/73/32/01/1286733201.db2.gz GGBNCDYKFFGMRB-UHFFFAOYSA-N -2 0 371.346 0.216 20 0 FCADRL O=C([O-])c1cnn(CC(=O)[N-]S(=O)(=O)CCc2ccc(F)cc2)c1 ZINC001601379411 1286736494 /nfs/dbraw/zinc/73/64/94/1286736494.db2.gz PDWMUGYNSVIREA-UHFFFAOYSA-N -2 0 355.347 0.409 20 0 FCADRL O=C([O-])c1cn(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)c2ccccc12 ZINC001601378172 1286736510 /nfs/dbraw/zinc/73/65/10/1286736510.db2.gz NUCFNXJKASNKNL-NSHDSACASA-N -2 0 366.395 0.965 20 0 FCADRL O=C([O-])c1cc2c(cc1NC(=O)Cn1[n-]cc3c(=O)ncnc1-3)OCO2 ZINC001601379118 1286736571 /nfs/dbraw/zinc/73/65/71/1286736571.db2.gz WNAKLKBONLAMEO-UHFFFAOYSA-N -2 0 357.282 0.137 20 0 FCADRL O=C([O-])[C@H](Cn1ccnc1)NC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001601426629 1286745230 /nfs/dbraw/zinc/74/52/30/1286745230.db2.gz ZWIQPSGCJUKITC-NSHDSACASA-N -2 0 359.317 0.797 20 0 FCADRL O=C([O-])c1ccc(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)s1 ZINC001601535754 1286781042 /nfs/dbraw/zinc/78/10/42/1286781042.db2.gz NMKDXWOXAZNJGY-JTQLQIEISA-N -2 0 354.384 0.680 20 0 FCADRL O=C([O-])[C@@H](Cc1ccncn1)NS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001601660553 1286802288 /nfs/dbraw/zinc/80/22/88/1286802288.db2.gz QICFXDOLUDGVMZ-GFCCVEGCSA-N -2 0 371.415 0.427 20 0 FCADRL O=C([O-])[C@H](O)[C@H]1CCCN(S(=O)(=O)CC2(C(=O)[O-])CCCCC2)C1 ZINC001601681920 1286806788 /nfs/dbraw/zinc/80/67/88/1286806788.db2.gz VVKJPOGBEMSFFP-NWDGAFQWSA-N -2 0 363.432 0.509 20 0 FCADRL O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001601810662 1286839790 /nfs/dbraw/zinc/83/97/90/1286839790.db2.gz VXCLZDLQAWSEIO-MNOVXSKESA-N -2 0 358.420 0.663 20 0 FCADRL O=C([O-])/C=C/c1ccc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)cc1 ZINC001601884206 1286861174 /nfs/dbraw/zinc/86/11/74/1286861174.db2.gz BYIDQWVAWLPUMX-ZZXKWVIFSA-N -2 0 369.395 0.944 20 0 FCADRL COc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCOC1 ZINC001609338495 1289106799 /nfs/dbraw/zinc/10/67/99/1289106799.db2.gz FAEOSRQRYLSCIK-VIFPVBQESA-N -2 0 367.387 0.107 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccccc2)CC1 ZINC001601921704 1286870975 /nfs/dbraw/zinc/87/09/75/1286870975.db2.gz JRYDWSBREDWLKX-OLZOCXBDSA-N -2 0 357.384 0.348 20 0 FCADRL O=C([O-])C[C@@]1(NCC2=Nc3ccccc3S(=O)(=O)[N-]2)CCCOC1 ZINC001601934120 1286876513 /nfs/dbraw/zinc/87/65/13/1286876513.db2.gz DZSQPMPIUAVFOJ-HNNXBMFYSA-N -2 0 353.400 0.622 20 0 FCADRL O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C(=O)[O-])s2)C1 ZINC001601949547 1286881707 /nfs/dbraw/zinc/88/17/07/1286881707.db2.gz JWCRTTYJTFUVQB-VIFPVBQESA-N -2 0 354.384 0.776 20 0 FCADRL O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)C1 ZINC001601949533 1286882019 /nfs/dbraw/zinc/88/20/19/1286882019.db2.gz IAOCJOPNPRXMBL-VXGBXAGGSA-N -2 0 352.387 0.413 20 0 FCADRL O=C([O-])CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)C1 ZINC001601975115 1286891613 /nfs/dbraw/zinc/89/16/13/1286891613.db2.gz UVASHSPWSKMKRM-WCQYABFASA-N -2 0 354.403 0.707 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cccc2c1OC(F)(F)O2 ZINC001601999014 1286893636 /nfs/dbraw/zinc/89/36/36/1286893636.db2.gz FHSUHJHCULUQDM-UHFFFAOYSA-N -2 0 351.283 0.933 20 0 FCADRL O=C([O-])CCNC(=O)c1ccc(NC(=O)C(=O)[N-]OC2CCCC2)cc1 ZINC001602023730 1286906308 /nfs/dbraw/zinc/90/63/08/1286906308.db2.gz QCTKSBJMRIYVOF-UHFFFAOYSA-N -2 0 363.370 0.820 20 0 FCADRL O=C([O-])COCC(=O)N1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001602076726 1286930396 /nfs/dbraw/zinc/93/03/96/1286930396.db2.gz LJNNUTOXAWTYTP-HNNXBMFYSA-N -2 0 370.789 0.711 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC001602097849 1286934350 /nfs/dbraw/zinc/93/43/50/1286934350.db2.gz WQRKJSIQIMOUGN-UHFFFAOYSA-N -2 0 367.383 0.575 20 0 FCADRL O=C([O-])c1cc(F)cc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)c1 ZINC001602272465 1286978478 /nfs/dbraw/zinc/97/84/78/1286978478.db2.gz RYUSTKIKYTWTAE-UHFFFAOYSA-N -2 0 370.362 0.916 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])cc(F)c1F ZINC001602292516 1286984210 /nfs/dbraw/zinc/98/42/10/1286984210.db2.gz RVKVTBCHBXZKRM-MRVPVSSYSA-N -2 0 353.324 0.811 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)n[nH]1 ZINC001602293892 1286984994 /nfs/dbraw/zinc/98/49/94/1286984994.db2.gz UENIRRFWEFPAHR-POYBYMJQSA-N -2 0 357.310 0.886 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1 ZINC001602392806 1286994056 /nfs/dbraw/zinc/99/40/56/1286994056.db2.gz GAEACPPMKPHEEF-QWRGUYRKSA-N -3 0 357.340 0.181 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@]3(CCOC3)C2)cc1 ZINC001602393931 1286994150 /nfs/dbraw/zinc/99/41/50/1286994150.db2.gz FHJCBEXWGVOHDB-DOMZBBRYSA-N -2 0 355.368 0.497 20 0 FCADRL O=C([O-])c1ccccc1S(=O)(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001602473427 1287006321 /nfs/dbraw/zinc/00/63/21/1287006321.db2.gz GPWRPDUZISXSQY-VIFPVBQESA-N -2 0 352.372 0.777 20 0 FCADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2ccc(C3(O)COC3)cc2)c1 ZINC001602543870 1287023859 /nfs/dbraw/zinc/02/38/59/1287023859.db2.gz XRAOBVBVXMHKIK-UHFFFAOYSA-N -2 0 350.352 0.798 20 0 FCADRL O=C([O-])c1coc(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1 ZINC001602551079 1287024198 /nfs/dbraw/zinc/02/41/98/1287024198.db2.gz ZFDNEBIOGQRJAU-VIFPVBQESA-N -2 0 355.328 0.254 20 0 FCADRL O=C([O-])c1csc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccccc2)c1 ZINC001602563054 1287025835 /nfs/dbraw/zinc/02/58/35/1287025835.db2.gz MTPQXMDSBDOGJS-NEPJUHHUSA-N -2 0 371.392 0.911 20 0 FCADRL O=C([O-])c1csc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@]3(CCOC3)C2)c1 ZINC001602563746 1287027302 /nfs/dbraw/zinc/02/73/02/1287027302.db2.gz JCEJABVCEXYNOW-NOZJJQNGSA-N -2 0 361.397 0.558 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)NC[C@@H](Cc1ccccn1)C(=O)[O-] ZINC001602583114 1287030154 /nfs/dbraw/zinc/03/01/54/1287030154.db2.gz ONUUDAIIRGHJOF-MRVPVSSYSA-N -2 0 371.396 0.458 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(-n2nn[n-]c2=O)cc1 ZINC001602598502 1287033676 /nfs/dbraw/zinc/03/36/76/1287033676.db2.gz MYTBFRQBPIZVNC-UHFFFAOYSA-N -3 0 367.368 0.928 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001602599117 1287033720 /nfs/dbraw/zinc/03/37/20/1287033720.db2.gz NVCGDLSOCZNDRE-ZETCQYMHSA-N -2 0 355.397 0.779 20 0 FCADRL O=C([O-])[C@]12CN(C(=O)c3ccc(-n4[nH]c(=O)[n-]c4=O)cc3)C[C@H]1CCCC2 ZINC001602624295 1287036630 /nfs/dbraw/zinc/03/66/30/1287036630.db2.gz OQUTWKSRMUATEQ-KZULUSFZSA-N -2 0 372.381 0.983 20 0 FCADRL C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001602796203 1287120455 /nfs/dbraw/zinc/12/04/55/1287120455.db2.gz HMLGDNXKVGESHZ-ZJUUUORDSA-N -2 0 352.368 0.421 20 0 FCADRL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001609378181 1289130714 /nfs/dbraw/zinc/13/07/14/1289130714.db2.gz OCCVJYHQSMOXNL-QGZVFWFLSA-N -2 0 374.401 0.840 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@H](CF)C(=O)[O-])c1 ZINC001603073747 1287203128 /nfs/dbraw/zinc/20/31/28/1287203128.db2.gz UANBYCPFYSXTLE-LLVKDONJSA-N -2 0 361.351 0.169 20 0 FCADRL CO[C@@H](C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)[O-])C1CC1 ZINC001605008414 1287835359 /nfs/dbraw/zinc/83/53/59/1287835359.db2.gz SULICYNHIYCVEN-SCZZXKLOSA-N -2 0 371.375 0.006 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(OC)cc2C(=O)[O-])C1=O ZINC001605135855 1287892321 /nfs/dbraw/zinc/89/23/21/1287892321.db2.gz SWFZSSZCVARWSJ-CQSZACIVSA-N -2 0 371.371 0.307 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)C1=O ZINC001605135817 1287892621 /nfs/dbraw/zinc/89/26/21/1287892621.db2.gz RSFPTUZUPHJBDT-CYBMUJFWSA-N -2 0 356.360 0.002 20 0 FCADRL CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC001605545200 1287994266 /nfs/dbraw/zinc/99/42/66/1287994266.db2.gz YHZYGHBNDFPBQQ-UHFFFAOYSA-N -2 0 373.383 0.390 20 0 FCADRL CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001605551422 1287998321 /nfs/dbraw/zinc/99/83/21/1287998321.db2.gz LCHSUCSTPSJSOE-UHFFFAOYSA-N -2 0 372.399 0.857 20 0 FCADRL CCc1c(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cnn1-c1ccccc1OC ZINC001605780956 1288082306 /nfs/dbraw/zinc/08/23/06/1288082306.db2.gz YLRUTMMZFONGSA-UHFFFAOYSA-N -2 0 367.383 0.588 20 0 FCADRL CCn1nc(C)c(CC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1C ZINC001605937107 1288105352 /nfs/dbraw/zinc/10/53/52/1288105352.db2.gz QBMZLLRBKIWPSA-UHFFFAOYSA-N -2 0 372.447 0.220 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@](C)(CCF)C(=O)[O-])c1 ZINC001606042231 1288145006 /nfs/dbraw/zinc/14/50/06/1288145006.db2.gz DVJXKCWQTSFEPO-CQSZACIVSA-N -2 0 362.379 0.575 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@](C)(CCF)C(=O)[O-])c1 ZINC001606042230 1288145103 /nfs/dbraw/zinc/14/51/03/1288145103.db2.gz DVJXKCWQTSFEPO-AWEZNQCLSA-N -2 0 362.379 0.575 20 0 FCADRL CN1C(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001606185361 1288202571 /nfs/dbraw/zinc/20/25/71/1288202571.db2.gz QUJZGAKFLZXGMW-JTQLQIEISA-N -2 0 360.775 0.464 20 0 FCADRL CN1C(=O)COc2ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc21 ZINC001606189401 1288204303 /nfs/dbraw/zinc/20/43/03/1288204303.db2.gz JFEHJQPDVZBECF-UHFFFAOYSA-N -2 0 370.383 0.212 20 0 FCADRL CN1Cc2ccccc2[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1=O ZINC001606259960 1288239615 /nfs/dbraw/zinc/23/96/15/1288239615.db2.gz URMDQVQOIUOKTR-LLVKDONJSA-N -2 0 367.408 0.833 20 0 FCADRL COC(=O)[C@H](CC(=O)[O-])NC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001606325331 1288262721 /nfs/dbraw/zinc/26/27/21/1288262721.db2.gz KVIPYBBDSZWGAJ-VIFPVBQESA-N -2 0 369.280 0.602 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C)c1ccn(C)n1 ZINC001606342200 1288264238 /nfs/dbraw/zinc/26/42/38/1288264238.db2.gz MCBFNVSZESSUHF-CYBMUJFWSA-N -2 0 367.383 0.619 20 0 FCADRL COC(=O)C[C@H](NC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])C(=O)[O-] ZINC001606442646 1288320913 /nfs/dbraw/zinc/32/09/13/1288320913.db2.gz YTQLUFGZJMDVGT-VIFPVBQESA-N -2 0 369.280 0.602 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N[C@H](C)CC(=O)[O-])c(C(=O)[O-])s1 ZINC001606563896 1288386174 /nfs/dbraw/zinc/38/61/74/1288386174.db2.gz CQSZLUSAWMEXQD-RXMQYKEDSA-N -2 0 351.358 0.374 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)[O-] ZINC001606583107 1288396130 /nfs/dbraw/zinc/39/61/30/1288396130.db2.gz HSJXMDQAPZNBPL-HTQZYQBOSA-N -2 0 359.356 0.559 20 0 FCADRL COC(=O)c1ccc(CS(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)cc1 ZINC001606589592 1288399810 /nfs/dbraw/zinc/39/98/10/1288399810.db2.gz BNEMGPORPRSZPZ-UHFFFAOYSA-N -2 0 351.340 0.903 20 0 FCADRL COC(=O)c1cccc(CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001606617124 1288410231 /nfs/dbraw/zinc/41/02/31/1288410231.db2.gz ZNDYGYPGTMOUOB-ZJUUUORDSA-N -2 0 357.384 0.571 20 0 FCADRL COC(=O)c1cnc([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cn1 ZINC001606628073 1288415524 /nfs/dbraw/zinc/41/55/24/1288415524.db2.gz IOIOMXOEKXNPDE-UHFFFAOYSA-N -2 0 351.340 0.903 20 0 FCADRL CO[C@@H](C[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)[O-])C1CC1 ZINC001606668021 1288430951 /nfs/dbraw/zinc/43/09/51/1288430951.db2.gz GPZSLDGAFGRCHW-STQMWFEESA-N -2 0 357.384 0.931 20 0 FCADRL COC1(C[C@@H](NS(=O)(=O)c2scnc2C(=O)[O-])C(=O)[O-])CCC1 ZINC001606714134 1288463680 /nfs/dbraw/zinc/46/36/80/1288463680.db2.gz FLOHNSHYALWMOV-SSDOTTSWSA-N -2 0 364.401 0.532 20 0 FCADRL CO[C@H]1CN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])[C@@](C)(C(=O)[O-])C1 ZINC001606770700 1288504262 /nfs/dbraw/zinc/50/42/62/1288504262.db2.gz LTESTTKPAZACGF-XLKFXECMSA-N -2 0 361.347 0.777 20 0 FCADRL COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001606777299 1288507685 /nfs/dbraw/zinc/50/76/85/1288507685.db2.gz ODDKPLGXFNIRRX-LBPRGKRZSA-N -2 0 357.384 0.523 20 0 FCADRL COCc1ccccc1CS(=O)(=O)[N-]C(=O)CCSCC(=O)[O-] ZINC001606968756 1288579196 /nfs/dbraw/zinc/57/91/96/1288579196.db2.gz NMQWZIUFRXBVOW-UHFFFAOYSA-N -2 0 361.441 0.987 20 0 FCADRL O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1ccc(-c2nnn[n-]2)o1 ZINC001607068748 1288641176 /nfs/dbraw/zinc/64/11/76/1288641176.db2.gz SXJUIXKSXCMHOL-UHFFFAOYSA-N -2 0 359.331 0.236 20 0 FCADRL COc1cc(NC(=O)C(=O)[N-]OCCSC)c(C(=O)[O-])cc1OC ZINC001607173649 1288679189 /nfs/dbraw/zinc/67/91/89/1288679189.db2.gz OXSLXTDDMJREDA-UHFFFAOYSA-N -2 0 358.372 0.751 20 0 FCADRL COc1ccc([C@@H]2CN(S(=O)(=O)C[C@H](C)C(=O)[O-])C[C@H]2C(=O)[O-])cc1 ZINC001607290961 1288696216 /nfs/dbraw/zinc/69/62/16/1288696216.db2.gz ZSXKJBLXLNJENG-LEWSCRJBSA-N -2 0 371.411 0.846 20 0 FCADRL COc1ccc([C@@H]2CN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C[C@H]2C(=O)[O-])cc1 ZINC001607290960 1288696230 /nfs/dbraw/zinc/69/62/30/1288696230.db2.gz ZSXKJBLXLNJENG-DDTOSNHZSA-N -2 0 371.411 0.846 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])nn1-c1ccc(F)cc1 ZINC001607579999 1288727187 /nfs/dbraw/zinc/72/71/87/1288727187.db2.gz MVIUXIDIUCNCOT-UHFFFAOYSA-N -2 0 355.347 0.854 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c(C)n1[C@H]1CCCOC1 ZINC001607579825 1288727756 /nfs/dbraw/zinc/72/77/56/1288727756.db2.gz IYZJJJBFGBBJHJ-RYUDHWBXSA-N -2 0 358.416 0.989 20 0 FCADRL Cc1cnc(COCC(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)o1 ZINC001607908388 1288745271 /nfs/dbraw/zinc/74/52/71/1288745271.db2.gz RZOCTPICQFFSDT-UHFFFAOYSA-N -2 0 368.367 0.844 20 0 FCADRL Cc1nc(CCNS(=O)(=O)c2ccc(C(=O)[O-])o2)sc1C(=O)[O-] ZINC001607954313 1288751276 /nfs/dbraw/zinc/75/12/76/1288751276.db2.gz FNKRIBIXUPINEP-UHFFFAOYSA-N -2 0 360.369 0.962 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]C(=O)c2cccc(OCC(=O)[O-])c2)cn1C ZINC001607967110 1288752670 /nfs/dbraw/zinc/75/26/70/1288752670.db2.gz OWUZPCJIEZDYGQ-UHFFFAOYSA-N -2 0 353.356 0.311 20 0 FCADRL Cc1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001607998853 1288757103 /nfs/dbraw/zinc/75/71/03/1288757103.db2.gz YIJWSGKMRSUFLD-UHFFFAOYSA-N -2 0 364.811 0.153 20 0 FCADRL Cn1cc(C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)C(=O)[O-])cn1 ZINC001608110642 1288770404 /nfs/dbraw/zinc/77/04/04/1288770404.db2.gz KCYNVVXEHCPKOW-NSHDSACASA-N -2 0 371.346 0.232 20 0 FCADRL Cn1cc(C[C@H](NS(=O)(=O)c2ccsc2C(=O)[O-])C(=O)[O-])cn1 ZINC001608110313 1288771195 /nfs/dbraw/zinc/77/11/95/1288771195.db2.gz IQBKMHZDOLVNKQ-QMMMGPOBSA-N -2 0 359.385 0.154 20 0 FCADRL Cn1cc(N2CCC[C@@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])no3)C2)cn1 ZINC001608116290 1288772528 /nfs/dbraw/zinc/77/25/28/1288772528.db2.gz BCWMYOGSVCDPTP-SECBINFHSA-N -2 0 355.376 0.054 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(=O)[O-])c2)c(C(F)(F)F)n1 ZINC001608121777 1288774767 /nfs/dbraw/zinc/77/47/67/1288774767.db2.gz BYFTTZAPZGCVKH-UHFFFAOYSA-N -2 0 366.277 0.584 20 0 FCADRL Cn1ccnc1[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)C(F)(F)F ZINC001608130916 1288777152 /nfs/dbraw/zinc/77/71/52/1288777152.db2.gz BZSRNUYJLNYKMD-ZETCQYMHSA-N -2 0 354.266 0.688 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCS(=O)(=O)C2)s1 ZINC001608296564 1288814164 /nfs/dbraw/zinc/81/41/64/1288814164.db2.gz IVOZZGUCOCJFAW-SSDOTTSWSA-N -2 0 367.426 0.076 20 0 FCADRL O=C([O-])c1cnc(S(=O)(=O)CC(=O)NCc2cccc(Cl)c2)[n-]1 ZINC001608352431 1288828139 /nfs/dbraw/zinc/82/81/39/1288828139.db2.gz BHRUYNNSZVMZDP-UHFFFAOYSA-N -2 0 357.775 0.851 20 0 FCADRL O=C([O-])[C@@H](O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC001608459452 1288845543 /nfs/dbraw/zinc/84/55/43/1288845543.db2.gz BDZHIUYUNDPXDG-CABCVRRESA-N -2 0 372.377 0.712 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CN(c3ccc(F)cc3)C2=O)on1 ZINC001608860220 1288876587 /nfs/dbraw/zinc/87/65/87/1288876587.db2.gz AOXQGYCFXFGYNV-JTQLQIEISA-N -2 0 355.303 0.206 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c(Cl)cc1Cl ZINC001608861357 1288877786 /nfs/dbraw/zinc/87/77/86/1288877786.db2.gz FZOLDEIRGUWITR-SSDOTTSWSA-N -2 0 358.155 0.415 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)NC[C@H](Cc2ccccn2)C(=O)[O-])c[nH]1 ZINC001608861134 1288877801 /nfs/dbraw/zinc/87/78/01/1288877801.db2.gz RJQKHUHRVGIBHM-VIFPVBQESA-N -2 0 353.356 0.330 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)cc1F ZINC001608909704 1288879170 /nfs/dbraw/zinc/87/91/70/1288879170.db2.gz VYGMVDQGGVEWOD-UHFFFAOYSA-N -2 0 370.362 0.916 20 0 FCADRL O=C([O-])C(F)=C(Nc1ccc(F)c(F)c1)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001609044803 1288887063 /nfs/dbraw/zinc/88/70/63/1288887063.db2.gz XWVBJJMKUDKFFI-MRVPVSSYSA-N -2 0 359.285 0.584 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)CC1(F)F ZINC001609571665 1289234681 /nfs/dbraw/zinc/23/46/81/1289234681.db2.gz PVFOSGJYMKHFCY-ZCFIWIBFSA-N -2 0 363.302 0.190 20 0 FCADRL CC(=O)Nc1cccc(CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC001609625037 1289267120 /nfs/dbraw/zinc/26/71/20/1289267120.db2.gz IAOPULFWKPNEPE-UWVGGRQHSA-N -2 0 356.400 0.743 20 0 FCADRL CC(=O)Nc1ccc(CC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC001609624223 1289267315 /nfs/dbraw/zinc/26/73/15/1289267315.db2.gz YZFWJKXPWRGICU-NXEZZACHSA-N -2 0 356.400 0.743 20 0 FCADRL CC(=O)Nc1ccc(S[C@@H](C)C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1 ZINC001609625452 1289267598 /nfs/dbraw/zinc/26/75/98/1289267598.db2.gz WVWVAERCQVQJMR-QMMMGPOBSA-N -2 0 360.413 0.656 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CCN1C(=O)OC(C)(C)C ZINC001609638653 1289270087 /nfs/dbraw/zinc/27/00/87/1289270087.db2.gz JCMRLJZUIYWDPF-OPRDCNLKSA-N -2 0 364.420 0.551 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(OCC(F)F)n1 ZINC001609638678 1289270103 /nfs/dbraw/zinc/27/01/03/1289270103.db2.gz JLPKYLRCXVLNMO-HTQZYQBOSA-N -2 0 366.342 0.894 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(C)(C)C ZINC001609638824 1289270733 /nfs/dbraw/zinc/27/07/33/1289270733.db2.gz MFUMEQPSZZYXPA-GARJFASQSA-N -2 0 362.448 0.579 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cn(C)nc1C(F)(F)F ZINC001609638761 1289271074 /nfs/dbraw/zinc/27/10/74/1289271074.db2.gz KYNFSVQMPPPCRQ-PHDIDXHHSA-N -2 0 357.310 0.608 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC001609642750 1289271689 /nfs/dbraw/zinc/27/16/89/1289271689.db2.gz CSMYQBFUBZRTDZ-JTQLQIEISA-N -2 0 370.427 0.882 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(CN2CCOCC2)c1 ZINC001609644093 1289272379 /nfs/dbraw/zinc/27/23/79/1289272379.db2.gz VILCMVHOCWRHFW-NSHDSACASA-N -2 0 356.400 0.052 20 0 FCADRL CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)[N-]S(=O)(=O)CCC(=O)[O-])C1 ZINC001609659799 1289275102 /nfs/dbraw/zinc/27/51/02/1289275102.db2.gz JJIFEUVKBNULKW-JTQLQIEISA-N -2 0 368.383 0.112 20 0 FCADRL CC(C)C(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001609682507 1289278854 /nfs/dbraw/zinc/27/88/54/1289278854.db2.gz PJUYXSGIMOHMSZ-CYBMUJFWSA-N -2 0 368.411 0.837 20 0 FCADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC001609732045 1289287745 /nfs/dbraw/zinc/28/77/45/1289287745.db2.gz XNMFSZDXPNVOKC-ZETCQYMHSA-N -2 0 358.347 0.626 20 0 FCADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCc2cccc(C(=O)[O-])c2)C1 ZINC001609839596 1289309894 /nfs/dbraw/zinc/30/98/94/1289309894.db2.gz LQZPDISRVKPEHM-FZMZJTMJSA-N -2 0 362.382 0.613 20 0 FCADRL C[C@H]1CCCC[C@@H]1OCCNC(=O)CS(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001609851548 1289312362 /nfs/dbraw/zinc/31/23/62/1289312362.db2.gz BZGZSHCYTDBYRO-JQWIXIFHSA-N -2 0 373.431 0.593 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCN1c2ccccc2O[C@@H](C)C1=O ZINC001609879786 1289324079 /nfs/dbraw/zinc/32/40/79/1289324079.db2.gz HORDTLNXAJNCFW-UWVGGRQHSA-N -2 0 370.383 0.110 20 0 FCADRL CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001609896423 1289325444 /nfs/dbraw/zinc/32/54/44/1289325444.db2.gz ZXDIARXECIMBFF-XPTSAGLGSA-N -2 0 366.436 0.847 20 0 FCADRL CC[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001609952194 1289333251 /nfs/dbraw/zinc/33/32/51/1289333251.db2.gz WDXWFJTVVUKXHA-UWVGGRQHSA-N -2 0 364.420 0.553 20 0 FCADRL CCOC(=O)c1cn(C)nc1[N-]S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001610024161 1289350182 /nfs/dbraw/zinc/35/01/82/1289350182.db2.gz QFPBHFFVXYWMGM-UHFFFAOYSA-N -2 0 368.371 0.799 20 0 FCADRL CCO[C@H]1C[C@](NS(=O)(=O)CC(C)(C)C(=O)[O-])(C(=O)[O-])C1(C)C ZINC001610031826 1289352927 /nfs/dbraw/zinc/35/29/27/1289352927.db2.gz PNBGDEBOJFYWHW-XPTSAGLGSA-N -2 0 351.421 0.675 20 0 FCADRL CCOC[C@H](NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)C(=O)[O-] ZINC001610037729 1289354482 /nfs/dbraw/zinc/35/44/82/1289354482.db2.gz XHIMUPMBRQNUQR-VIFPVBQESA-N -2 0 353.299 0.431 20 0 FCADRL CCc1ccc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cc1S(C)(=O)=O ZINC001610062509 1289361394 /nfs/dbraw/zinc/36/13/94/1289361394.db2.gz VWEUFUBFAUGCNS-UHFFFAOYSA-N -2 0 363.413 0.187 20 0 FCADRL CCc1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC001610074100 1289364425 /nfs/dbraw/zinc/36/44/25/1289364425.db2.gz XMJPTEFMQSOZMU-RNFRBKRXSA-N -2 0 351.812 0.805 20 0 FCADRL CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001610141676 1289395216 /nfs/dbraw/zinc/39/52/16/1289395216.db2.gz OKACCBYDLAHDCU-UHFFFAOYSA-N -2 0 370.362 0.645 20 0 FCADRL CNS(=O)(=O)c1cc(NC(=O)c2ccc(C(=O)[O-])nc2)ccc1[O-] ZINC001610149063 1289399597 /nfs/dbraw/zinc/39/95/97/1289399597.db2.gz XEKMTLQCITUYPZ-UHFFFAOYSA-N -2 0 351.340 0.646 20 0 FCADRL COC(=O)CC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1F)C(=O)[O-] ZINC001610182826 1289414203 /nfs/dbraw/zinc/41/42/03/1289414203.db2.gz RDVXZPLFZRNXAE-VIFPVBQESA-N -2 0 363.319 0.209 20 0 FCADRL COC(=O)CC[C@H](NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)C(=O)[O-] ZINC001610182551 1289414304 /nfs/dbraw/zinc/41/43/04/1289414304.db2.gz NCTNSXZVDMALNL-NSHDSACASA-N -2 0 359.356 0.378 20 0 FCADRL COC(=O)c1c(C)c(NC(=O)C(=O)[N-]OCCCC(=O)[O-])ccc1F ZINC001610199295 1289423623 /nfs/dbraw/zinc/42/36/23/1289423623.db2.gz KVCJLHQVLFBNQB-UHFFFAOYSA-N -2 0 356.306 0.772 20 0 FCADRL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC2)c1F ZINC001610200143 1289424220 /nfs/dbraw/zinc/42/42/20/1289424220.db2.gz XEHMMTDQBKXYOU-UHFFFAOYSA-N -2 0 363.294 0.421 20 0 FCADRL COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1 ZINC001610199505 1289424631 /nfs/dbraw/zinc/42/46/31/1289424631.db2.gz GYGWPYFPHFUKDC-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)NCC(C)(C)C(=O)[O-] ZINC001610221716 1289430830 /nfs/dbraw/zinc/43/08/30/1289430830.db2.gz FSZOETNYKQPYAF-UHFFFAOYSA-N -2 0 365.385 0.622 20 0 FCADRL COCCOc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])ccn1 ZINC001610262678 1289443297 /nfs/dbraw/zinc/44/32/97/1289443297.db2.gz ZTQJTMKOBPOHJS-ZJUUUORDSA-N -2 0 360.388 0.276 20 0 FCADRL COCc1ccsc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001610272491 1289447073 /nfs/dbraw/zinc/44/70/73/1289447073.db2.gz FWKZHYYPAJHZIC-UHFFFAOYSA-N -2 0 362.429 0.666 20 0 FCADRL COc1c(Br)c(C)sc1C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001610277374 1289448188 /nfs/dbraw/zinc/44/81/88/1289448188.db2.gz SAZFQAMTZVYEGU-UHFFFAOYSA-N -2 0 372.218 0.972 20 0 FCADRL COc1cc(C(=O)NC2(C(=O)[O-])CC2)cc([N-]S(C)(=O)=O)c1OC ZINC001610280433 1289449548 /nfs/dbraw/zinc/44/95/48/1289449548.db2.gz CBXGFEVYCHZJED-UHFFFAOYSA-N -2 0 358.372 0.422 20 0 FCADRL COc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])cc2c1OCCO2 ZINC001610283490 1289451028 /nfs/dbraw/zinc/45/10/28/1289451028.db2.gz XHDLACKFWIIEEX-IUCAKERBSA-N -2 0 373.383 0.635 20 0 FCADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)N[C@@H](CCSC)C(=O)[O-] ZINC001610292183 1289453576 /nfs/dbraw/zinc/45/35/76/1289453576.db2.gz WSOLKQGBWWOOJA-LURJTMIESA-N -2 0 369.442 0.940 20 0 FCADRL COc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001610298187 1289454588 /nfs/dbraw/zinc/45/45/88/1289454588.db2.gz GRQLJNPSAGHKLF-CABZTGNLSA-N -2 0 364.354 0.901 20 0 FCADRL COc1cc(OC)cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001610307433 1289456364 /nfs/dbraw/zinc/45/63/64/1289456364.db2.gz RQYZNZOAFLDFOL-UHFFFAOYSA-N -2 0 372.399 0.475 20 0 FCADRL COc1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)cc(C(=O)[O-])c1OC ZINC001610307344 1289456769 /nfs/dbraw/zinc/45/67/69/1289456769.db2.gz QQYRMAPYXCVCJR-NSHDSACASA-N -2 0 373.383 0.934 20 0 FCADRL COc1ccc(CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])cc1C(=O)[O-] ZINC001610333019 1289461618 /nfs/dbraw/zinc/46/16/18/1289461618.db2.gz JYJVLZQGEGKTDK-UHFFFAOYSA-N -2 0 366.370 0.627 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)c2ncoc2C)c(CC(=O)[O-])c1 ZINC001610345827 1289466322 /nfs/dbraw/zinc/46/63/22/1289466322.db2.gz GFSVKMHOXXUYCG-UHFFFAOYSA-N -2 0 354.340 0.737 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CCc3[nH]nc(C(=O)[O-])c3C2)c1 ZINC001610359844 1289470272 /nfs/dbraw/zinc/47/02/72/1289470272.db2.gz IWIFPTGUXXJPFL-RUZDIDTESA-N -2 0 363.395 0.809 20 0 FCADRL COc1nc(C)ccc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001610368317 1289471318 /nfs/dbraw/zinc/47/13/18/1289471318.db2.gz ATCJYRBJJGWEJB-UHFFFAOYSA-N -2 0 357.388 0.170 20 0 FCADRL CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)[N-]OCCCC(=O)[O-])c1 ZINC001610378949 1289475939 /nfs/dbraw/zinc/47/59/39/1289475939.db2.gz MSIGXOQLEPHNIH-UHFFFAOYSA-N -2 0 362.335 0.080 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC001610378615 1289475942 /nfs/dbraw/zinc/47/59/42/1289475942.db2.gz GEQRTHPJHZZRJR-UHFFFAOYSA-N -2 0 372.380 0.235 20 0 FCADRL Cc1c(Cl)c(C(=O)[O-])sc1S(=O)(=O)N(CCO)CC(=O)[O-] ZINC001610428010 1289486149 /nfs/dbraw/zinc/48/61/49/1289486149.db2.gz GTXOOXKTAMHRAU-UHFFFAOYSA-N -2 0 357.793 0.476 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cnn1CC(=O)[O-] ZINC001610427355 1289486607 /nfs/dbraw/zinc/48/66/07/1289486607.db2.gz UDZRCCYNNQETRF-UHFFFAOYSA-N -3 0 357.319 0.914 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)nn1C ZINC001610436675 1289486955 /nfs/dbraw/zinc/48/69/55/1289486955.db2.gz IXQRCSHLBXAWOW-UHFFFAOYSA-N -2 0 359.310 0.824 20 0 FCADRL Cc1cc(C)n(Cc2cccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])c2)n1 ZINC001610457800 1289489217 /nfs/dbraw/zinc/48/92/17/1289489217.db2.gz AFTZPDVEJRYRFA-UHFFFAOYSA-N -2 0 351.384 0.692 20 0 FCADRL Cc1ccc(N2CCOCC2)cc1NC(=O)C(=O)[N-]OCCCC(=O)[O-] ZINC001610504614 1289496850 /nfs/dbraw/zinc/49/68/50/1289496850.db2.gz PGKPRTMZCQOUAK-UHFFFAOYSA-N -2 0 365.386 0.683 20 0 FCADRL Cc1cccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])CC2=O)c1C ZINC001610524118 1289500629 /nfs/dbraw/zinc/50/06/29/1289500629.db2.gz ARKOEYAFRMFIKQ-RYUDHWBXSA-N -2 0 368.411 0.575 20 0 FCADRL Cc1cccc([C@@H]2CCN(S(=O)(=O)N(C)CCC(=O)[O-])[C@H]2C(=O)[O-])c1 ZINC001610520378 1289500960 /nfs/dbraw/zinc/50/09/60/1289500960.db2.gz LPSFJMYMCJOTPB-DZGCQCFKSA-N -2 0 370.427 0.889 20 0 FCADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC001610541592 1289504510 /nfs/dbraw/zinc/50/45/10/1289504510.db2.gz JLYYMHWDHYIPEN-UHFFFAOYSA-N -2 0 366.399 0.273 20 0 FCADRL Cc1nn(C)c(C)c1[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001610569244 1289513529 /nfs/dbraw/zinc/51/35/29/1289513529.db2.gz TYNDHFYCOKRQLR-SECBINFHSA-N -2 0 372.447 0.298 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]N1C(=O)NC2(CCCCC2)C1=O ZINC001610579102 1289515287 /nfs/dbraw/zinc/51/52/87/1289515287.db2.gz BWGBISXUCQRFOZ-UHFFFAOYSA-N -2 0 371.371 0.734 20 0 FCADRL Cc1noc(-c2ccccc2C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])n1 ZINC001610575312 1289515405 /nfs/dbraw/zinc/51/54/05/1289515405.db2.gz QJLUTWKOMKFWQL-UHFFFAOYSA-N -2 0 353.356 0.969 20 0 FCADRL Cn1cc([C@@H](NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)C(=O)[O-])cn1 ZINC001610601617 1289522311 /nfs/dbraw/zinc/52/23/11/1289522311.db2.gz JVXHAPSGXSKCEU-LLVKDONJSA-N -2 0 373.774 0.876 20 0 FCADRL Cn1ncc2c1C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)CC2 ZINC001610614890 1289530175 /nfs/dbraw/zinc/53/01/75/1289530175.db2.gz AWDMCVMMNWAKMO-SNVBAGLBSA-N -2 0 363.395 0.728 20 0 FCADRL O=C([O-])c1cnc(S(=O)(=O)CC(=O)NCC2(c3ccccc3)CC2)[n-]1 ZINC001610671786 1289548897 /nfs/dbraw/zinc/54/88/97/1289548897.db2.gz NMVIIGGXVQTSJU-UHFFFAOYSA-N -2 0 363.395 0.730 20 0 FCADRL O=C([O-])C12CC(C(=O)[N-]S(=O)(=O)c3cnn(-c4ccccc4)c3)(C1)C2 ZINC001610730384 1289569580 /nfs/dbraw/zinc/56/95/80/1289569580.db2.gz OHIHCFIXNXOMOF-UHFFFAOYSA-N -2 0 361.379 0.932 20 0 FCADRL O=C([O-])[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3n[nH]nc3c2)C1 ZINC001610740729 1289573974 /nfs/dbraw/zinc/57/39/74/1289573974.db2.gz DTIZDBKUJFKLTQ-BDAKNGLRSA-N -2 0 352.372 0.654 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ncsc1Br ZINC001610771521 1289586775 /nfs/dbraw/zinc/58/67/75/1289586775.db2.gz ASJKYOLKOPCITI-UHFFFAOYSA-N -2 0 357.207 0.830 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC001610775248 1289587239 /nfs/dbraw/zinc/58/72/39/1289587239.db2.gz LBJLUQFFEVTYBP-ZDUSSCGKSA-N -2 0 358.391 0.711 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)Cc1cccc(Br)c1 ZINC001610775086 1289587914 /nfs/dbraw/zinc/58/79/14/1289587914.db2.gz HWVNYKQAYSSDTM-UHFFFAOYSA-N -2 0 350.190 0.912 20 0 FCADRL O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)[N-]OCc2cccnc2)cc1 ZINC001610784237 1289592353 /nfs/dbraw/zinc/59/23/53/1289592353.db2.gz XERLLIPBFWWNFC-UHFFFAOYSA-N -2 0 372.337 0.083 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)n1 ZINC001610801171 1289597349 /nfs/dbraw/zinc/59/73/49/1289597349.db2.gz PRCJIJWVFXWRNU-UHFFFAOYSA-N -2 0 362.314 0.807 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)NCC2(CC(=O)[O-])CCCCC2)cn1 ZINC001610801367 1289598582 /nfs/dbraw/zinc/59/85/82/1289598582.db2.gz NOSXGEMFJYLTGV-UHFFFAOYSA-N -2 0 359.404 0.671 20 0 FCADRL O=C([O-])c1ccc(F)c(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC001610832116 1289601872 /nfs/dbraw/zinc/60/18/72/1289601872.db2.gz NIQLKQVKIWSURH-SECBINFHSA-N -2 0 370.362 0.916 20 0 FCADRL O=C(NCc1nc([O-])cc(=O)[nH]1)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001630646701 1290686694 /nfs/dbraw/zinc/68/66/94/1290686694.db2.gz NLXRHOVJXJZGDB-UHFFFAOYSA-N -2 0 363.280 0.987 20 0 FCADRL COc1ncnc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c1OC ZINC001148917030 849620431 /nfs/dbraw/zinc/62/04/31/849620431.db2.gz JKKWBZRHLPCBST-UHFFFAOYSA-N -2 0 355.328 0.698 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cn2c(n1)CC[C@H](C(F)(F)F)C2 ZINC001153961068 849771285 /nfs/dbraw/zinc/77/12/85/849771285.db2.gz MJXNWBXWVASAHR-ZETCQYMHSA-N -2 0 357.225 0.847 20 0 FCADRL NS(=O)(=O)c1ccc(NCCOP(=O)([O-])[O-])c(C(F)(F)F)c1 ZINC001168590915 850590751 /nfs/dbraw/zinc/59/07/51/850590751.db2.gz BOGVMCRSPOLIEY-UHFFFAOYSA-N -2 0 364.238 0.874 20 0 FCADRL COC(=O)c1ccc(N)cc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC001176272490 850785111 /nfs/dbraw/zinc/78/51/11/850785111.db2.gz NDEDPTNZWPVBDF-UHFFFAOYSA-N -2 0 354.344 0.137 20 0 FCADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(Nc2cnc3nonc3c2)c1 ZINC001176694491 850799277 /nfs/dbraw/zinc/79/92/77/850799277.db2.gz AGHIWYZYCLFINR-UHFFFAOYSA-N -2 0 372.340 0.855 20 0 FCADRL Cc1cccc(C)c1N1C[C@H](C(=O)NCCOP(=O)([O-])[O-])CC1=O ZINC001180678193 851057575 /nfs/dbraw/zinc/05/75/75/851057575.db2.gz LVKQSOOVOQNZCZ-GFCCVEGCSA-N -2 0 356.315 0.882 20 0 FCADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC[N-]C(=O)C(F)(F)F ZINC001185924037 851400148 /nfs/dbraw/zinc/40/01/48/851400148.db2.gz XNLBMUOARWUEIK-UHFFFAOYSA-N -2 0 354.306 0.650 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@H]2SC(=O)[N-]C2=O)ccc1Cl ZINC001188321204 851669099 /nfs/dbraw/zinc/66/90/99/851669099.db2.gz ILHOWAHAMPZZJB-QMMMGPOBSA-N -2 0 350.761 0.626 20 0 FCADRL COC(=O)CCS(=O)(=O)[N-]c1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001188392733 851683486 /nfs/dbraw/zinc/68/34/86/851683486.db2.gz QUOCEECAPCELLU-UHFFFAOYSA-N -2 0 357.793 0.892 20 0 FCADRL O=C(CCNC(=O)c1ccccc1OP(=O)([O-])[O-])N1CCOCC1 ZINC001189860309 851831598 /nfs/dbraw/zinc/83/15/98/851831598.db2.gz DBMPJOQKAMJSQR-UHFFFAOYSA-N -2 0 358.287 0.137 20 0 FCADRL O=C([O-])c1cc(C(=O)N2C[C@@H](F)C[C@H](CO)C2)cc(S(=O)(=O)[O-])c1 ZINC001189915843 851843670 /nfs/dbraw/zinc/84/36/70/851843670.db2.gz XXUXQVFPNLKTIG-KWQFWETISA-N -2 0 361.347 0.424 20 0 FCADRL O=C([O-])c1cc(C(=O)N2CCCC(=O)[C@H](F)C2)cc(S(=O)(=O)[O-])c1 ZINC001189923927 851844707 /nfs/dbraw/zinc/84/47/07/851844707.db2.gz QLPXIBXRKAUQMV-LLVKDONJSA-N -2 0 359.331 0.775 20 0 FCADRL C[C@@H](NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1)c1cnccn1 ZINC001189933896 851845234 /nfs/dbraw/zinc/84/52/34/851845234.db2.gz OYYFHENJAOJQBV-MRVPVSSYSA-N -2 0 351.340 0.913 20 0 FCADRL O=C([O-])c1cc(C(=O)NCCN2CCCCO2)cc(S(=O)(=O)[O-])c1 ZINC001189932874 851845498 /nfs/dbraw/zinc/84/54/98/851845498.db2.gz FNKINRSRPXMSJQ-UHFFFAOYSA-N -2 0 358.372 0.389 20 0 FCADRL CCCC[C@H](NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1)C(N)=O ZINC001189941143 851846522 /nfs/dbraw/zinc/84/65/22/851846522.db2.gz AXHBRJKJOSDCPK-NSHDSACASA-N -2 0 358.372 0.405 20 0 FCADRL COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189942244 851846891 /nfs/dbraw/zinc/84/68/91/851846891.db2.gz XEEIKKIMSNGQRQ-MWLCHTKSSA-N -2 0 357.340 0.170 20 0 FCADRL NC(=O)C[C@H]1C[C@@H]2CN(C(=O)c3ccccc3OP(=O)([O-])[O-])C[C@@H]2O1 ZINC001278366334 862306855 /nfs/dbraw/zinc/30/68/55/862306855.db2.gz LXOFVFVWMPDTIA-BREBYQMCSA-N -2 0 370.298 0.263 20 0 FCADRL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c(O)c1 ZINC001192727291 852283573 /nfs/dbraw/zinc/28/35/73/852283573.db2.gz UIVQMVZRNQGIIT-UHFFFAOYSA-N -2 0 366.351 0.755 20 0 FCADRL Cc1nn(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1C(N)=O ZINC001195190284 852721689 /nfs/dbraw/zinc/72/16/89/852721689.db2.gz ZFGNGNSYVJPSAF-UHFFFAOYSA-N -2 0 374.325 0.605 20 0 FCADRL NC(=O)c1ccncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195194915 852722665 /nfs/dbraw/zinc/72/26/65/852722665.db2.gz LUQIJZFLHUAPKQ-UHFFFAOYSA-N -2 0 357.294 0.958 20 0 FCADRL NC(=O)c1cncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001195194989 852722710 /nfs/dbraw/zinc/72/27/10/852722710.db2.gz NCNOBCZZTDYHML-UHFFFAOYSA-N -2 0 357.294 0.958 20 0 FCADRL CCOC(=O)CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[O-])cc1Cl ZINC001195977482 852859103 /nfs/dbraw/zinc/85/91/03/852859103.db2.gz WHDSHHHJYWLJIF-UHFFFAOYSA-N -2 0 357.793 0.892 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cccc(=O)n1OCc1ccccc1 ZINC001196463827 852961267 /nfs/dbraw/zinc/96/12/67/852961267.db2.gz BXYFJYYMKMLGAL-UHFFFAOYSA-N -2 0 368.282 0.316 20 0 FCADRL CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1C(=O)[O-])c1cnccn1 ZINC001198809022 853323375 /nfs/dbraw/zinc/32/33/75/853323375.db2.gz ZUQJKMHYLGOOSW-ZDUSSCGKSA-N -2 0 365.367 0.758 20 0 FCADRL O=C([O-])C[C@@H](C(=O)OCc1noc(-c2ccccc2)n1)[C@H](O)C(=O)[O-] ZINC001223094338 856896294 /nfs/dbraw/zinc/89/62/94/856896294.db2.gz FJEDHRNMUVLAIE-SKDRFNHKSA-N -2 0 350.283 0.316 20 0 FCADRL O=C([O-])C[C@@H](C(=O)OCc1noc(-c2ccccc2)n1)[C@@H](O)C(=O)[O-] ZINC001223094335 856896512 /nfs/dbraw/zinc/89/65/12/856896512.db2.gz FJEDHRNMUVLAIE-BXKDBHETSA-N -2 0 350.283 0.316 20 0 FCADRL CC(C)(C)OC(=O)NCCCCOC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001224516333 856985914 /nfs/dbraw/zinc/98/59/14/856985914.db2.gz XMCKSQMNSYNPLK-MWLCHTKSSA-N -2 0 363.363 0.371 20 0 FCADRL CCOP(=O)(CCCOC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])OCC ZINC001224761593 857000594 /nfs/dbraw/zinc/00/05/94/857000594.db2.gz BDRXNGNOVKUGEH-ONGXEEELSA-N -2 0 370.291 0.722 20 0 FCADRL CC(C)(C)OC(=O)NC1(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])CC1 ZINC001224796131 857001401 /nfs/dbraw/zinc/00/14/01/857001401.db2.gz FCOCBVOFRJIOMJ-SCZZXKLOSA-N -2 0 361.347 0.123 20 0 FCADRL COc1cc(CCOC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(OC)c1 ZINC001224975271 857011127 /nfs/dbraw/zinc/01/11/27/857011127.db2.gz GMMKOJJTRINFMI-JSGCOSHPSA-N -2 0 356.327 0.326 20 0 FCADRL O=C(OCC1CC(OCc2ccccc2)C1)[C@H](O)COP(=O)([O-])[O-] ZINC001225059373 857017082 /nfs/dbraw/zinc/01/70/82/857017082.db2.gz PMEYFVQKZCKRLB-JXQTWKCFSA-N -2 0 360.299 0.995 20 0 FCADRL CCOC(=O)c1c(C)cccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225810014 857061225 /nfs/dbraw/zinc/06/12/25/857061225.db2.gz JXZQTFFCBHHXSA-NOZJJQNGSA-N -2 0 354.311 0.614 20 0 FCADRL COc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(OC)c1OC ZINC001226033630 857079884 /nfs/dbraw/zinc/07/98/84/857079884.db2.gz NGUQFFOEXHWKFI-HQJQHLMTSA-N -2 0 358.299 0.154 20 0 FCADRL CC(C)OC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001226072606 857083649 /nfs/dbraw/zinc/08/36/49/857083649.db2.gz JDGJEDPFXWANRK-WCQYABFASA-N -2 0 354.311 0.694 20 0 FCADRL Cc1ccc2oc(=O)cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2c1 ZINC001226161783 857086454 /nfs/dbraw/zinc/08/64/54/857086454.db2.gz MVTKDMQGWVWJDK-LKFCYVNXSA-N -2 0 350.279 0.543 20 0 FCADRL COC(=O)c1cc(Cl)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001226311279 857097552 /nfs/dbraw/zinc/09/75/52/857097552.db2.gz OUXDOSHUUSXPSZ-GZMMTYOYSA-N -2 0 360.702 0.568 20 0 FCADRL Cc1ncc(Br)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001226864219 857128776 /nfs/dbraw/zinc/12/87/76/857128776.db2.gz CTXQVCCFXDRMQL-SSDOTTSWSA-N -2 0 356.065 0.528 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1c(O)cccc1Br)[C@H](O)C(=O)[O-] ZINC001227024929 857137589 /nfs/dbraw/zinc/13/75/89/857137589.db2.gz KSEFTMTTXICUGF-ANLVUFKYSA-N -2 0 363.116 0.597 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1nccc(C(F)(F)F)c1F)[C@@H](O)C(=O)[O-] ZINC001227024072 857137679 /nfs/dbraw/zinc/13/76/79/857137679.db2.gz WFILZRNVCKEMOI-RNHFCUEFSA-N -2 0 355.196 0.681 20 0 FCADRL Cc1[n-]c(=O)nc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])c1Cl ZINC001227110636 857141370 /nfs/dbraw/zinc/14/13/70/857141370.db2.gz BRFHCODCPAINAC-SECBINFHSA-N -2 0 367.811 0.111 20 0 FCADRL Cn1ccc2nc(Cl)nc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c21 ZINC001227790104 857178190 /nfs/dbraw/zinc/17/81/90/857178190.db2.gz JFWJZLVYCYEJTE-SSDLBLMSSA-N -2 0 357.706 0.064 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=S)nc2cnccc21)[C@@H](O)C(=O)[O-] ZINC001227886338 857182757 /nfs/dbraw/zinc/18/27/57/857182757.db2.gz SWUAAHDZAAXULO-HZGVNTEJSA-N -2 0 353.312 0.129 20 0 FCADRL O=C(Oc1[n-]c(=O)nc2cc(Cl)ccc21)[C@H](O)COP(=O)([O-])[O-] ZINC001227989681 857187751 /nfs/dbraw/zinc/18/77/51/857187751.db2.gz SUYPDMYNTZQMKI-MRVPVSSYSA-N -3 0 364.634 0.364 20 0 FCADRL O=C(Oc1ccn(-c2ccc(Cl)cc2)n1)[C@H](O)COP(=O)([O-])[O-] ZINC001228002733 857188630 /nfs/dbraw/zinc/18/86/30/857188630.db2.gz JGAZBPUIQUWFDZ-SNVBAGLBSA-N -2 0 362.662 0.901 20 0 FCADRL CCOC(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(OC)c1 ZINC001228053157 857189505 /nfs/dbraw/zinc/18/95/05/857189505.db2.gz UFZCQOXJDQSBSK-SECBINFHSA-N -2 0 364.243 0.248 20 0 FCADRL Cc1cc(Br)cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])n1 ZINC001228058748 857190633 /nfs/dbraw/zinc/19/06/33/857190633.db2.gz LVUBBXLFBPFNJZ-SSDOTTSWSA-N -2 0 356.065 0.528 20 0 FCADRL CCC(=O)c1c(O)cc(O)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228554367 857215185 /nfs/dbraw/zinc/21/51/85/857215185.db2.gz HXWYEFMDZRJIHH-FUXBKTLASA-N -2 0 356.283 0.132 20 0 FCADRL O=C(Oc1ccc(F)nc1Br)[C@H](O)COP(=O)([O-])[O-] ZINC001228613742 857218810 /nfs/dbraw/zinc/21/88/10/857218810.db2.gz HUBHFVMVXGASCW-SCSAIBSYSA-N -2 0 360.028 0.359 20 0 FCADRL COC(=O)c1sc(C)c(C)c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001228877114 857234241 /nfs/dbraw/zinc/23/42/41/857234241.db2.gz CJZMCSSXXWXDAI-SSDOTTSWSA-N -2 0 354.273 0.527 20 0 FCADRL CC(=O)c1c(OC(=O)[C@H](O)COP(=O)([O-])[O-])ccc2ccc(=O)oc21 ZINC001229456081 857271196 /nfs/dbraw/zinc/27/11/96/857271196.db2.gz HIIWBOBGCICIKY-SECBINFHSA-N -2 0 372.222 0.371 20 0 FCADRL COC(=O)c1c(Cl)cccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001229843386 857289711 /nfs/dbraw/zinc/28/97/11/857289711.db2.gz VYLDECJREVSQLW-KBUNVGBDSA-N -2 0 360.702 0.568 20 0 FCADRL C[C@@H]1Cc2cccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2C(=O)O1 ZINC001229977866 857295405 /nfs/dbraw/zinc/29/54/05/857295405.db2.gz XTPPMEWXALEBKX-CERSQZSQSA-N -2 0 352.295 0.230 20 0 FCADRL C[C@@H]1Cc2cccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2C(=O)O1 ZINC001229977867 857295863 /nfs/dbraw/zinc/29/58/63/857295863.db2.gz XTPPMEWXALEBKX-HUQFOHBGSA-N -2 0 352.295 0.230 20 0 FCADRL COC(=O)c1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(C)cc1F ZINC001230040182 857298239 /nfs/dbraw/zinc/29/82/39/857298239.db2.gz KKQBZLLLBPDMBR-PRHODGIISA-N -2 0 358.274 0.363 20 0 FCADRL C[C@H]1C[C@H](Oc2c(O)cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])CCO1 ZINC001230143910 857307586 /nfs/dbraw/zinc/30/75/86/857307586.db2.gz JMMAMBMLQBDYTI-JGVFFNPUSA-N -2 0 368.385 0.832 20 0 FCADRL C[C@H]1COCC[C@@H]1Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-] ZINC001230143292 857307731 /nfs/dbraw/zinc/30/77/31/857307731.db2.gz COJXHIBILQFDLO-XVKPBYJWSA-N -2 0 368.385 0.689 20 0 FCADRL COC(=O)c1c(C)cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1C ZINC001230308108 857324596 /nfs/dbraw/zinc/32/45/96/857324596.db2.gz KKNUBMKNNJYCMX-ZWNOBZJWSA-N -2 0 354.311 0.532 20 0 FCADRL COc1ccc2sc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc2c1 ZINC001230338814 857327225 /nfs/dbraw/zinc/32/72/25/857327225.db2.gz GELTVNHTXANXDR-CPCISQLKSA-N -2 0 355.324 0.747 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ncnc2c(Cl)cccc12)[C@H](O)C(=O)[O-] ZINC001230778482 857346764 /nfs/dbraw/zinc/34/67/64/857346764.db2.gz GRBPKNCAILAQOU-HQJQHLMTSA-N -2 0 354.702 0.725 20 0 FCADRL Cc1ccc2c(c1)nc(=O)[n-]c2OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001230887849 857350945 /nfs/dbraw/zinc/35/09/45/857350945.db2.gz FLRJSKDVFLQDCM-GZMMTYOYSA-N -3 0 350.283 0.086 20 0 FCADRL CCc1cccc(C(=O)OC)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001230963009 857352581 /nfs/dbraw/zinc/35/25/81/857352581.db2.gz BCOAMTZALOYWDL-CMPLNLGQSA-N -2 0 354.311 0.477 20 0 FCADRL COc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(C)cc1C(C)=O ZINC001231129746 857356817 /nfs/dbraw/zinc/35/68/17/857356817.db2.gz OZQBYVOYHVKROD-IINYFYTJSA-N -2 0 354.311 0.648 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(=O)oc2ccc(F)cc12)[C@H](O)C(=O)[O-] ZINC001231180456 857357082 /nfs/dbraw/zinc/35/70/82/857357082.db2.gz OLDWVIQSOVEJOL-OQPBUACISA-N -2 0 354.242 0.374 20 0 FCADRL CC(=O)c1c(O)c2ccccc2nc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001231185791 857357520 /nfs/dbraw/zinc/35/75/20/857357520.db2.gz VTAGPTUSYXSLPN-SNVBAGLBSA-N -2 0 371.238 0.519 20 0 FCADRL CC(=O)c1ccc2nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])sc2c1 ZINC001233604141 857387077 /nfs/dbraw/zinc/38/70/77/857387077.db2.gz BCHQQTZATSVSKY-SECBINFHSA-N -2 0 361.268 0.875 20 0 FCADRL NC(=O)c1cc2ccccc2cc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001233570256 857387426 /nfs/dbraw/zinc/38/74/26/857387426.db2.gz TZNCFAIHGGHVGW-LLVKDONJSA-N -2 0 355.239 0.314 20 0 FCADRL CCOC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1F ZINC001233592091 857387476 /nfs/dbraw/zinc/38/74/76/857387476.db2.gz BBQOKFMJJHFORM-BXKDBHETSA-N -2 0 358.274 0.444 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1nc(Cl)nc2c1CCCC2)[C@@H](O)C(=O)[O-] ZINC001234065400 857394882 /nfs/dbraw/zinc/39/48/82/857394882.db2.gz VBPTYFVYYNCCDR-OIBJUYFYSA-N -2 0 358.734 0.451 20 0 FCADRL COC(=O)c1c(F)ccc(F)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234306513 857400770 /nfs/dbraw/zinc/40/07/70/857400770.db2.gz XLAXKANELLODBA-XUOSJQGZSA-N -2 0 362.237 0.193 20 0 FCADRL COc1cc(F)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1Cl ZINC001234321442 857401205 /nfs/dbraw/zinc/40/12/05/857401205.db2.gz NEANSOJDUHVWRM-BLTYZCFWSA-N -2 0 350.682 0.930 20 0 FCADRL COC(=O)c1c(F)ccc(F)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234306512 857401276 /nfs/dbraw/zinc/40/12/76/857401276.db2.gz XLAXKANELLODBA-RRAGMBSWSA-N -2 0 362.237 0.193 20 0 FCADRL COC(=O)CCc1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234343864 857402056 /nfs/dbraw/zinc/40/20/56/857402056.db2.gz FJXOKNMYNZRXTJ-QMTHXVAHSA-N -2 0 354.311 0.234 20 0 FCADRL COC(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(F)c1F ZINC001234403600 857404156 /nfs/dbraw/zinc/40/41/56/857404156.db2.gz YSXYJDKDNWSKSO-ZCFIWIBFSA-N -2 0 356.170 0.127 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(Cl)c2c1CCC2=O)[C@@H](O)C(=O)[O-] ZINC001234507454 857408056 /nfs/dbraw/zinc/40/80/56/857408056.db2.gz HGXGXEYHNLUSGL-WPPNPWJKSA-N -2 0 356.714 0.911 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(Cl)c2c1CCC2=O)[C@H](O)C(=O)[O-] ZINC001234507449 857408160 /nfs/dbraw/zinc/40/81/60/857408160.db2.gz HGXGXEYHNLUSGL-CPFSXVBKSA-N -2 0 356.714 0.911 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1nnc(-c2ccccc2F)o1)[C@@H](O)C(=O)[O-] ZINC001234662348 857410952 /nfs/dbraw/zinc/41/09/52/857410952.db2.gz JPUSPIHOXVWJTO-OIBJUYFYSA-N -2 0 354.246 0.318 20 0 FCADRL COC(=O)c1cc(Cl)cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001234622628 857411174 /nfs/dbraw/zinc/41/11/74/857411174.db2.gz IGEYUTYASHSSBX-GXSJLCMTSA-N -2 0 360.702 0.568 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1nnc(-c2ccccc2F)o1)[C@H](O)C(=O)[O-] ZINC001234662462 857411192 /nfs/dbraw/zinc/41/11/92/857411192.db2.gz JPUSPIHOXVWJTO-XVKPBYJWSA-N -2 0 354.246 0.318 20 0 FCADRL COc1cc(OC)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1OC ZINC001234699772 857412410 /nfs/dbraw/zinc/41/24/10/857412410.db2.gz JJILYXVPHRBXBW-UHLUBPPHSA-N -2 0 358.299 0.154 20 0 FCADRL COC(=O)CCc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1F ZINC001234898283 857414831 /nfs/dbraw/zinc/41/48/31/857414831.db2.gz DYWFFKYFXLDQOA-LLVKDONJSA-N -2 0 366.234 0.307 20 0 FCADRL COc1cc(OC)c(Cl)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001234885378 857414885 /nfs/dbraw/zinc/41/48/85/857414885.db2.gz NKCZFIFLPYBZFQ-JVXZTZIISA-N -2 0 362.718 0.799 20 0 FCADRL COc1c(Cl)ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1F ZINC001234965949 857417083 /nfs/dbraw/zinc/41/70/83/857417083.db2.gz YAXGYBFLXWEQIQ-XUOSJQGZSA-N -2 0 350.682 0.930 20 0 FCADRL CC(=O)[N-]S(=O)(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1 ZINC001242160130 857542473 /nfs/dbraw/zinc/54/24/73/857542473.db2.gz DTGPGOHBLBDXCD-UHFFFAOYSA-N -3 0 364.335 0.970 20 0 FCADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001258650433 858209500 /nfs/dbraw/zinc/20/95/00/858209500.db2.gz KMGGISSQSTWWHX-UHFFFAOYSA-N -2 0 357.369 0.524 20 0 FCADRL CS(=O)(=O)[N-]C(=O)Cc1ccc([N-]S(=O)(=O)c2cccnc2)cc1 ZINC001259608850 858275812 /nfs/dbraw/zinc/27/58/12/858275812.db2.gz GNSNLTBSRBRNAE-UHFFFAOYSA-N -2 0 369.424 0.501 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nccnc2N2CCOCC2)c1 ZINC001260183345 858351605 /nfs/dbraw/zinc/35/16/05/858351605.db2.gz LYDUJBXGDJHXCH-UHFFFAOYSA-N -2 0 364.383 0.812 20 0 FCADRL CCOC(=O)c1ncncc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260393498 858366303 /nfs/dbraw/zinc/36/63/03/858366303.db2.gz LKBRERWIGHJPNK-UHFFFAOYSA-N -2 0 367.339 0.858 20 0 FCADRL COC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260393530 858366612 /nfs/dbraw/zinc/36/66/12/858366612.db2.gz MVVJWVSPGJJNQK-UHFFFAOYSA-N -2 0 355.328 0.411 20 0 FCADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)C2CCOCC2)c1 ZINC001326183662 870199950 /nfs/dbraw/zinc/19/99/50/870199950.db2.gz JASJUZISKLCMLY-QFIPXVFZSA-N -2 0 361.441 0.428 20 0 FCADRL CN(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1 ZINC000324467021 971123756 /nfs/dbraw/zinc/12/37/56/971123756.db2.gz JTBCMXQXJJRWQD-UHFFFAOYSA-N -2 0 352.372 0.539 20 0 FCADRL CC(C)(C)[C@@H]1CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCO1 ZINC001573826030 949901413 /nfs/dbraw/zinc/90/14/13/949901413.db2.gz FBDLJXDBTSCDEN-LBPRGKRZSA-N -2 0 358.406 0.862 20 0 FCADRL O=Cc1cncc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC001595298025 950154471 /nfs/dbraw/zinc/15/44/71/950154471.db2.gz BNDQUWMWTXEMLH-QWRGUYRKSA-N -2 0 373.287 0.630 20 0 FCADRL CC1(C)C[C@@](C)(NCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C(=O)O1 ZINC001575630302 950763578 /nfs/dbraw/zinc/76/35/78/950763578.db2.gz ALWNUMACNPRCTH-OAHLLOKOSA-N -2 0 358.362 0.189 20 0 FCADRL CCOC(=O)c1[n-]c(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)nc1Cl ZINC001591005695 951037512 /nfs/dbraw/zinc/03/75/12/951037512.db2.gz IKNQFEXZQNZAAW-SSDOTTSWSA-N -2 0 372.765 0.502 20 0 FCADRL O=C([O-])Cn1cc(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)cn1 ZINC001595145851 952112043 /nfs/dbraw/zinc/11/20/43/952112043.db2.gz JJEMRIKGQVMLIK-UHFFFAOYSA-N -2 0 373.300 0.407 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCC2(C(=O)[O-])CCC2)c1 ZINC001593707504 954153333 /nfs/dbraw/zinc/15/33/33/954153333.db2.gz PJLDNTNSOFKOGO-UHFFFAOYSA-N -2 0 356.400 0.627 20 0 FCADRL O=C([O-])[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)Cc2ccccc21 ZINC001594947408 954923157 /nfs/dbraw/zinc/92/31/57/954923157.db2.gz QXTGKTLJLQVJNO-ZDUSSCGKSA-N -2 0 353.338 0.282 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCc1ccncn1 ZINC000851702962 955823491 /nfs/dbraw/zinc/82/34/91/955823491.db2.gz NRHWVXFDVAVWRA-PWSUYJOCSA-N -2 0 374.319 0.532 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cnn2c1CCC2 ZINC000851702856 955823695 /nfs/dbraw/zinc/82/36/95/955823695.db2.gz NAHBVSIUTRJNDP-MWLCHTKSSA-N -2 0 374.319 0.566 20 0 FCADRL O=C([O-])CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000013264923 957002250 /nfs/dbraw/zinc/00/22/50/957002250.db2.gz YVZAAZMAWVXFMA-UHFFFAOYSA-N -2 0 352.162 0.900 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cn2)cc1 ZINC000390365657 972278153 /nfs/dbraw/zinc/27/81/53/972278153.db2.gz NXJHWOBCLHWTQV-UHFFFAOYSA-N -2 0 356.381 0.984 20 0 FCADRL O=C([O-])c1ccc(CNC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)cc1 ZINC001574800539 957832653 /nfs/dbraw/zinc/83/26/53/957832653.db2.gz ODZXOBBNPYLHFW-UHFFFAOYSA-N -2 0 354.322 0.894 20 0 FCADRL C[C@H](C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-])c1cnccn1 ZINC001573363639 958607809 /nfs/dbraw/zinc/60/78/09/958607809.db2.gz KULJIDPRTFMMII-ATZCPNFKSA-N -2 0 374.319 0.703 20 0 FCADRL C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603239324 972378548 /nfs/dbraw/zinc/37/85/48/972378548.db2.gz DJDKTFBBTRJPRC-JFUSQASVSA-N -2 0 370.427 0.905 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCC(C)(C(=O)[O-])CC2)c1 ZINC001604083149 972476611 /nfs/dbraw/zinc/47/66/11/972476611.db2.gz FALDUZNPRXFXNO-UHFFFAOYSA-N -2 0 370.427 0.969 20 0 FCADRL CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)[N-]OC/C=C/Cl)C1 ZINC001588698519 960781037 /nfs/dbraw/zinc/78/10/37/960781037.db2.gz JMZBRXBRVOFRJA-NNTXTVRGSA-N -2 0 364.782 0.877 20 0 FCADRL CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)[N-]OC2CCOCC2)C1 ZINC001588699547 960797902 /nfs/dbraw/zinc/79/79/02/960797902.db2.gz PCECXHSKLPFNPL-MRXNPFEDSA-N -2 0 374.390 0.304 20 0 FCADRL Cc1ncc(CC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])o1 ZINC001574426446 961365676 /nfs/dbraw/zinc/36/56/76/961365676.db2.gz GWOVSHHJAPSHSN-MWLCHTKSSA-N -2 0 363.292 0.648 20 0 FCADRL Cc1nnc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])s1 ZINC001574436198 961412972 /nfs/dbraw/zinc/41/29/72/961412972.db2.gz HWLHCVQXQDWQBR-NKWVEPMBSA-N -2 0 366.321 0.583 20 0 FCADRL CC[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001573936807 961602504 /nfs/dbraw/zinc/60/25/04/961602504.db2.gz VGOWXFJNJUOQEY-CHWFTXMASA-N -2 0 366.336 0.924 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCN(CC(F)(F)F)C2)on1 ZINC000316172141 963986857 /nfs/dbraw/zinc/98/68/57/963986857.db2.gz JJTHAOILFWJAHW-ZETCQYMHSA-N -2 0 357.310 0.535 20 0 FCADRL O=C([O-])CN1CCCC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2F)C1=O ZINC001574724300 969872218 /nfs/dbraw/zinc/87/22/18/969872218.db2.gz RLLMCTSVMPHCBY-LLVKDONJSA-N -2 0 362.354 0.709 20 0 FCADRL CC(C)[C@H](NC(=O)COC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C(=O)[O-] ZINC001591871463 976210741 /nfs/dbraw/zinc/21/07/41/976210741.db2.gz DHHZEDGSWTVSQY-QMMMGPOBSA-N -2 0 356.297 0.212 20 0 FCADRL CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001591893295 976265562 /nfs/dbraw/zinc/26/55/62/976265562.db2.gz ZOTNOOPCOPJEDO-NSHDSACASA-N -2 0 364.326 0.239 20 0 FCADRL CC(C)c1nc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])n2C)cn1C ZINC001592030393 976736227 /nfs/dbraw/zinc/73/62/27/976736227.db2.gz OEBNKODVCDKDJC-UHFFFAOYSA-N -2 0 354.388 0.699 20 0 FCADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1nc(Br)cs1 ZINC001592359444 977842027 /nfs/dbraw/zinc/84/20/27/977842027.db2.gz FWEBBBVUUAEQSW-SCSAIBSYSA-N -2 0 357.207 0.821 20 0 FCADRL C[C@H](CN(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC001592564108 978457376 /nfs/dbraw/zinc/45/73/76/978457376.db2.gz SRWCGFJJYAIPMB-MRVWCRGKSA-N -2 0 362.382 0.492 20 0 FCADRL C[C@@H](CNC(=O)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C(=O)[O-] ZINC001592629178 978608757 /nfs/dbraw/zinc/60/87/57/978608757.db2.gz HYWNOIRFPUOAGK-CMPLNLGQSA-N -2 0 350.371 0.792 20 0 FCADRL C[C@](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)(C(=O)[O-])c1ccccc1 ZINC001592716753 979217393 /nfs/dbraw/zinc/21/73/93/979217393.db2.gz XMXILPWAGXWLAH-MRXNPFEDSA-N -2 0 370.427 0.660 20 0 FCADRL O=C([O-])[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@H]1c1ccccc1 ZINC000843334447 979341039 /nfs/dbraw/zinc/34/10/39/979341039.db2.gz OHFWDGGDQFUWFS-UONOGXRCSA-N -2 0 367.365 0.398 20 0 FCADRL C[C@H](CS(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cccc(F)c2)C1)C(=O)[O-] ZINC001592800110 979457741 /nfs/dbraw/zinc/45/77/41/979457741.db2.gz JRYPOPYSJUVCRE-WQAKAFBOSA-N -2 0 359.375 0.976 20 0 FCADRL C[C@H](CS(=O)(=O)N[C@@H](Cc1c[nH]c2cccnc12)C(=O)[O-])C(=O)[O-] ZINC001592807198 979473727 /nfs/dbraw/zinc/47/37/27/979473727.db2.gz LLXLFMYFZGEFFJ-KCJUWKMLSA-N -2 0 355.372 0.199 20 0 FCADRL C[C@](Cc1ccc(F)cc1)(NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)[O-] ZINC001592847935 979628349 /nfs/dbraw/zinc/62/83/49/979628349.db2.gz YUDLHKREVFVEHB-QGZVFWFLSA-N -2 0 373.344 0.413 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)C1=O ZINC001595371743 980854834 /nfs/dbraw/zinc/85/48/34/980854834.db2.gz MJKCDMMOTXYLTG-AWEZNQCLSA-N -2 0 373.362 0.746 20 0 FCADRL CCCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])C1 ZINC001595523785 981350090 /nfs/dbraw/zinc/35/00/90/981350090.db2.gz SKFGQTKZPJHRNM-SRVKXCTJSA-N -2 0 362.448 0.580 20 0 FCADRL CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001595527183 981356694 /nfs/dbraw/zinc/35/66/94/981356694.db2.gz CLMHRGLEMLKURP-UHFFFAOYSA-N -2 0 360.363 0.174 20 0 FCADRL CCC[C@H](O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F)C(=O)[O-] ZINC001595608611 981612453 /nfs/dbraw/zinc/61/24/53/981612453.db2.gz KYDNHZNPSPKQLQ-JOYOIKCWSA-N -2 0 363.363 0.725 20 0 FCADRL CCCN(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@@H](C)C(=O)[O-] ZINC001595817376 982680669 /nfs/dbraw/zinc/68/06/69/982680669.db2.gz VBVYHZHEQVCJBD-VIFPVBQESA-N -2 0 364.370 0.955 20 0 FCADRL CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001595003221 982914150 /nfs/dbraw/zinc/91/41/50/982914150.db2.gz AJVJPACFNPFWSP-BDAKNGLRSA-N -2 0 352.409 0.599 20 0 FCADRL CCN(C(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccccc1 ZINC001596142515 983493881 /nfs/dbraw/zinc/49/38/81/983493881.db2.gz BHVRAAMAHDQTQN-UHFFFAOYSA-N -2 0 353.356 0.704 20 0 FCADRL CCN(CC(=O)[O-])S(=O)(=O)c1cc(/C=C/C(=O)[O-])cc(OC)c1OC ZINC001596227385 983619172 /nfs/dbraw/zinc/61/91/72/983619172.db2.gz ZVNXBSMROLKQNP-AATRIKPKSA-N -2 0 373.383 0.897 20 0 FCADRL CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)C1CCOCC1 ZINC001596541550 984382568 /nfs/dbraw/zinc/38/25/68/984382568.db2.gz DSKIEFJFCVMTRZ-LLVKDONJSA-N -2 0 362.360 0.009 20 0 FCADRL CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)C1CCOCC1 ZINC001596541551 984382834 /nfs/dbraw/zinc/38/28/34/984382834.db2.gz DSKIEFJFCVMTRZ-NSHDSACASA-N -2 0 362.360 0.009 20 0 FCADRL CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])n1 ZINC001596637901 984629800 /nfs/dbraw/zinc/62/98/00/984629800.db2.gz PZAGTKQJUMFREU-UHFFFAOYSA-N -2 0 372.334 0.479 20 0 FCADRL CCOC(=O)Cn1nc(C)cc1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001596640518 984634898 /nfs/dbraw/zinc/63/48/98/984634898.db2.gz RQWLEMXQGFOSDR-UHFFFAOYSA-N -2 0 374.400 0.710 20 0 FCADRL CCOC(=O)c1c(C)nn(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001596696532 984835730 /nfs/dbraw/zinc/83/57/30/984835730.db2.gz HALDITSHSPRGGU-UHFFFAOYSA-N -2 0 357.344 0.997 20 0 FCADRL CC(=O)NCCN(CC(=O)Nc1ccc(C(=O)[O-])cc1)[C@@H](C)C(=O)[O-] ZINC001589139855 985447309 /nfs/dbraw/zinc/44/73/09/985447309.db2.gz KVWLAJKAHZHBCK-JTQLQIEISA-N -2 0 351.359 0.235 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001599941495 985461046 /nfs/dbraw/zinc/46/10/46/985461046.db2.gz QWFBEUBHFDZKBU-NSHDSACASA-N -2 0 373.369 0.192 20 0 FCADRL CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CS[C@H](C)C(=O)[O-])cc1 ZINC001589149821 985466850 /nfs/dbraw/zinc/46/68/50/985466850.db2.gz PIRJYUWQECXQSX-SECBINFHSA-N -2 0 374.440 0.334 20 0 FCADRL CC(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])cc1 ZINC001589186201 985572611 /nfs/dbraw/zinc/57/26/11/985572611.db2.gz MKFUMZUZHIFXCF-UHFFFAOYSA-N -2 0 369.380 0.918 20 0 FCADRL CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)c2cccc(C(=O)[O-])c2)s1 ZINC001589224747 985747973 /nfs/dbraw/zinc/74/79/73/985747973.db2.gz JWXKUOVLKKGUJE-UHFFFAOYSA-N -2 0 369.380 0.918 20 0 FCADRL CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1c[n-]n2c1nccc2=O ZINC001596911307 985913010 /nfs/dbraw/zinc/91/30/10/985913010.db2.gz HLWYKWQHKOQKBH-NSHDSACASA-N -2 0 350.375 0.612 20 0 FCADRL CCOCCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001596924070 985997947 /nfs/dbraw/zinc/99/79/47/985997947.db2.gz FQWWOQLGKDSYDN-SNVBAGLBSA-N -2 0 362.404 0.471 20 0 FCADRL CC(=O)c1cccc(OCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC001589311847 986100410 /nfs/dbraw/zinc/10/04/10/986100410.db2.gz YXXMRFNLWHUFGZ-ONGXEEELSA-N -2 0 357.384 0.823 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)nnn1C(C)C ZINC001599982255 986180233 /nfs/dbraw/zinc/18/02/33/986180233.db2.gz YFXKNFNRSSDSMH-UHFFFAOYSA-N -2 0 367.387 0.952 20 0 FCADRL C[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])N(C(=O)OC(C)(C)C)C1CC1 ZINC001589424082 986687694 /nfs/dbraw/zinc/68/76/94/986687694.db2.gz RQORZGAMPOQYRR-BDAKNGLRSA-N -2 0 364.420 0.694 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnc2)cc1 ZINC001589450145 986836674 /nfs/dbraw/zinc/83/66/74/986836674.db2.gz AYOWHZWNWOKFGV-GHMZBOCLSA-N -2 0 366.399 0.365 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCCNC(=O)OC(C)(C)C ZINC001589451025 986843033 /nfs/dbraw/zinc/84/30/33/986843033.db2.gz HDQKHPWRCGHVDI-ZJUUUORDSA-N -2 0 366.436 0.847 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC001589451489 986844517 /nfs/dbraw/zinc/84/45/17/986844517.db2.gz INGOKFKKWIRYBY-IUCAKERBSA-N -2 0 352.372 0.641 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)Nc1ccccc1 ZINC001589453960 986870730 /nfs/dbraw/zinc/87/07/30/986870730.db2.gz RYZAUKBNBYQESM-UWVGGRQHSA-N -2 0 357.388 0.363 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC001589454130 986872594 /nfs/dbraw/zinc/87/25/94/986872594.db2.gz LWFBOTPLKNLCRL-DTWKUNHWSA-N -2 0 363.413 0.259 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC001589454131 986873970 /nfs/dbraw/zinc/87/39/70/986873970.db2.gz LWFBOTPLKNLCRL-IUCAKERBSA-N -2 0 363.413 0.259 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1c(C(F)(F)F)cnn1C ZINC001589454427 986879252 /nfs/dbraw/zinc/87/92/52/986879252.db2.gz VUYLPZVXRXSTAV-RITPCOANSA-N -2 0 357.310 0.608 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(-n2cc[nH]c2=O)c1 ZINC001589454573 986881347 /nfs/dbraw/zinc/88/13/47/986881347.db2.gz OZRIICZCLTXMGC-NXEZZACHSA-N -2 0 367.383 0.747 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccnc(-n2ccnc2)c1 ZINC001589455333 986895018 /nfs/dbraw/zinc/89/50/18/986895018.db2.gz YHXCDAKQIPERGP-NXEZZACHSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001594662090 986941781 /nfs/dbraw/zinc/94/17/81/986941781.db2.gz XVUSAFFJWYMTOQ-WRWORJQWSA-N -2 0 363.388 0.990 20 0 FCADRL C[C@H](C(=O)[O-])N(Cc1cccnc1)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001589487194 987044623 /nfs/dbraw/zinc/04/46/23/987044623.db2.gz UGTPJEMPFCJRQQ-MRVPVSSYSA-N -2 0 371.396 0.900 20 0 FCADRL C[C@@H](C(=O)[O-])N(Cc1cccnc1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001589487267 987045894 /nfs/dbraw/zinc/04/58/94/987045894.db2.gz XIJNSTPQDHYXOS-NSHDSACASA-N -2 0 371.415 0.398 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cnn(-c2cccc(Cl)c2)n1 ZINC001589490407 987054485 /nfs/dbraw/zinc/05/44/85/987054485.db2.gz BCTIJTJDPUEHNY-ZETCQYMHSA-N -2 0 358.763 0.453 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC001589495251 987073275 /nfs/dbraw/zinc/07/32/75/987073275.db2.gz NZERVTKJFNMYAD-VIFPVBQESA-N -2 0 371.367 0.340 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC001589496465 987079164 /nfs/dbraw/zinc/07/91/64/987079164.db2.gz WSSSPTTVONBBAE-ZJUUUORDSA-N -2 0 374.440 0.662 20 0 FCADRL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC001589603739 987443507 /nfs/dbraw/zinc/44/35/07/987443507.db2.gz UNGWWVKJACPRPT-SDDRHHMPSA-N -2 0 354.403 0.705 20 0 FCADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NC2(CC(=O)[O-])CCC2)n1 ZINC001589671050 987666987 /nfs/dbraw/zinc/66/69/87/987666987.db2.gz PBWGGGFADKXORS-UHFFFAOYSA-N -2 0 352.347 0.155 20 0 FCADRL CC(C)(C)N1C[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1=O ZINC001589796775 988198074 /nfs/dbraw/zinc/19/80/74/988198074.db2.gz WDMCFTSMPFXIFG-MRVPVSSYSA-N -2 0 358.372 0.430 20 0 FCADRL CCc1ccc(OCC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC001597556261 988287465 /nfs/dbraw/zinc/28/74/65/988287465.db2.gz KFLIFFZDGGAZAA-UHFFFAOYSA-N -2 0 370.427 0.785 20 0 FCADRL CCc1ccc(S(C)(=O)=O)cc1C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001597562617 988309225 /nfs/dbraw/zinc/30/92/25/988309225.db2.gz LXFPQMMCDFBUBA-MRVPVSSYSA-N -2 0 363.413 0.185 20 0 FCADRL CC(C)(C)OC(=O)C1(C(=O)[N-]S(=O)(=O)CC(=O)[O-])CCSCC1 ZINC001589852547 988384886 /nfs/dbraw/zinc/38/48/86/988384886.db2.gz UXTCJZJAKUMQGN-UHFFFAOYSA-N -2 0 367.445 0.372 20 0 FCADRL CCc1ccccc1OCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001597615348 988533805 /nfs/dbraw/zinc/53/38/05/988533805.db2.gz ZYTRWLFEHNSSRF-UHFFFAOYSA-N -2 0 370.427 0.785 20 0 FCADRL CC(C)(C)OC(=O)C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)C(=O)[O-] ZINC001589902016 988613084 /nfs/dbraw/zinc/61/30/84/988613084.db2.gz ZTPULIOHBCJIJZ-VIFPVBQESA-N -2 0 365.404 0.346 20 0 FCADRL CSc1nnc(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])s1 ZINC001599828891 988638830 /nfs/dbraw/zinc/63/88/30/988638830.db2.gz HSVOGXWEQBXOSV-UHFFFAOYSA-N -2 0 352.444 0.893 20 0 FCADRL CCc1nc(CC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cs1 ZINC001597662862 988738641 /nfs/dbraw/zinc/73/86/41/988738641.db2.gz MZBISNNVVRYPJL-UHFFFAOYSA-N -2 0 361.445 0.406 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC2)C1 ZINC001589991574 988895435 /nfs/dbraw/zinc/89/54/35/988895435.db2.gz IBWVAMPQIDEWAX-SECBINFHSA-N -2 0 362.404 0.307 20 0 FCADRL CCn1c(=O)[nH]c2cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])ccc21 ZINC001597832613 989504625 /nfs/dbraw/zinc/50/46/25/989504625.db2.gz RNZLKTRYZMVNCG-IUCAKERBSA-N -2 0 369.399 0.931 20 0 FCADRL CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)CC1CC1 ZINC001590246511 989635441 /nfs/dbraw/zinc/63/54/41/989635441.db2.gz JROQDTLRIDRIHF-VIFPVBQESA-N -2 0 350.393 0.210 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc2[n-]c1=S ZINC001597860623 989636477 /nfs/dbraw/zinc/63/64/77/989636477.db2.gz YQZWKHGYRPNGLS-HQJQHLMTSA-N -2 0 351.384 0.269 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)NCC[C@H](O)C(=O)[O-])cc2[n-]c1=S ZINC001597860552 989636541 /nfs/dbraw/zinc/63/65/41/989636541.db2.gz UZXDPSNDCYWWPP-NSHDSACASA-N -2 0 351.384 0.271 20 0 FCADRL CCn1cc(C(=O)[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)cn1 ZINC001597876774 989692468 /nfs/dbraw/zinc/69/24/68/989692468.db2.gz JLTJKTXSLJXKHY-UHFFFAOYSA-N -2 0 355.347 0.788 20 0 FCADRL CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]CC(F)(F)C(=O)[O-] ZINC001590329129 989765354 /nfs/dbraw/zinc/76/53/54/989765354.db2.gz QGOOAWBHNVQCMS-QMMMGPOBSA-N -2 0 358.363 0.347 20 0 FCADRL CC(C)(C)OC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cn1 ZINC001590363063 989820995 /nfs/dbraw/zinc/82/09/95/989820995.db2.gz PZJBCWHXZTVBGN-UHFFFAOYSA-N -2 0 372.399 0.961 20 0 FCADRL CC(C)(C)OC[C@H](NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])C(=O)[O-] ZINC001590388783 989910129 /nfs/dbraw/zinc/91/01/29/989910129.db2.gz ISNDXAOTVJDCMQ-GARJFASQSA-N -2 0 351.421 0.818 20 0 FCADRL CC(C)(C)c1ncc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cn1 ZINC001590551088 990192207 /nfs/dbraw/zinc/19/22/07/990192207.db2.gz VXPZLNOCABRAOM-UHFFFAOYSA-N -2 0 370.431 0.545 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@]1(C)Cc2ccccc2C(=O)O1)C(=O)[O-] ZINC001590798342 990621679 /nfs/dbraw/zinc/62/16/79/990621679.db2.gz SURAOXLYGVCYBB-INIZCTEOSA-N -2 0 369.395 0.715 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)CN1Cc2ccccc2C1=O)C(=O)[O-] ZINC001590798867 990625476 /nfs/dbraw/zinc/62/54/76/990625476.db2.gz GMFUDWGHOASMBT-UHFFFAOYSA-N -2 0 354.384 0.199 20 0 FCADRL CC(C)(NS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-])[C@@H](O)C(=O)[O-] ZINC001590879036 990789422 /nfs/dbraw/zinc/78/94/22/990789422.db2.gz GEMMQNTVHGUXRY-VIFPVBQESA-N -2 0 357.306 0.913 20 0 FCADRL CC(C)(NS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1)C(=O)[O-] ZINC001590880008 990796890 /nfs/dbraw/zinc/79/68/90/990796890.db2.gz ZTZTWKWMSFZUFX-SECBINFHSA-N -2 0 370.383 0.266 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CC[C@H](OC)C[C@@H]2C(=O)[O-])c1 ZINC001599683742 990952814 /nfs/dbraw/zinc/95/28/14/990952814.db2.gz XXZVJTFWLKYBNR-CVDOSRGISA-N -2 0 355.412 0.893 20 0 FCADRL CC(C)[C@H](C(=O)[O-])C(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC001590957556 991040764 /nfs/dbraw/zinc/04/07/64/991040764.db2.gz VWCRLUOONAVUQM-AWEZNQCLSA-N -2 0 371.411 0.659 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC001598277353 991160366 /nfs/dbraw/zinc/16/03/66/991160366.db2.gz XHMPASOSDMWNAY-AWEZNQCLSA-N -2 0 360.363 0.281 20 0 FCADRL CN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001598417744 991743393 /nfs/dbraw/zinc/74/33/93/991743393.db2.gz BWZAYUDIPDRYCV-UHFFFAOYSA-N -2 0 370.152 0.992 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)cn1 ZINC001599759956 992106898 /nfs/dbraw/zinc/10/68/98/992106898.db2.gz NXYFZDLNWPCSMR-GFCCVEGCSA-N -2 0 371.415 0.549 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001599760308 992112309 /nfs/dbraw/zinc/11/23/09/992112309.db2.gz KRIRXHWYQQEYKE-PSASIEDQSA-N -2 0 360.363 0.105 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N1C[C@H](c2ccccc2)[C@@](F)(C(=O)[O-])C1 ZINC001598481525 992158833 /nfs/dbraw/zinc/15/88/33/992158833.db2.gz ZEJMGXBGJRLPDR-IUODEOHRSA-N -2 0 374.390 0.530 20 0 FCADRL CC(C)CN(CC(=O)[N-]S(=O)(=O)CCC(=O)[O-])C(=O)OC(C)(C)C ZINC001591290156 992237261 /nfs/dbraw/zinc/23/72/61/992237261.db2.gz ZCBIXIKBCMRUMT-UHFFFAOYSA-N -2 0 366.436 0.800 20 0 FCADRL CS(=O)(=O)c1ccc(NC(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(=O)[O-])cc1 ZINC001599770917 992243256 /nfs/dbraw/zinc/24/32/56/992243256.db2.gz MBQWYMAZAINNRK-CABZTGNLSA-N -2 0 370.383 0.872 20 0 FCADRL CS(=O)(=O)c1ccccc1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001599774475 992285056 /nfs/dbraw/zinc/28/50/56/992285056.db2.gz YEYZUINYJRDRJR-UHFFFAOYSA-N -2 0 374.396 0.297 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)N[C@H](CC2CCOCC2)C(=O)[O-])cc1=O ZINC001591505952 992652111 /nfs/dbraw/zinc/65/21/11/992652111.db2.gz NJXFQNUGQUQOTJ-CQSZACIVSA-N -2 0 353.419 0.761 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H]2C(=O)[O-])c(OC)c1C(=O)[O-] ZINC001599610035 993939890 /nfs/dbraw/zinc/93/98/90/993939890.db2.gz DZXLRDBBMLJFFO-PELKAZGASA-N -2 0 373.383 0.886 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)Cc2cccc(C(=O)[O-])c2)cn1 ZINC001599611136 993955798 /nfs/dbraw/zinc/95/57/98/993955798.db2.gz CIUWLXYFTJFBBH-UHFFFAOYSA-N -2 0 350.352 0.836 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1ccccc1 ZINC001593176307 994054424 /nfs/dbraw/zinc/05/44/24/994054424.db2.gz SOPDOMUJSNBVLZ-OUAUKWLOSA-N -2 0 356.400 0.360 20 0 FCADRL COc1ccc2c(c1)OC[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C2 ZINC001599629370 994195076 /nfs/dbraw/zinc/19/50/76/994195076.db2.gz DICFKBYOYADINV-NSHDSACASA-N -2 0 371.411 0.803 20 0 FCADRL CNC(=O)c1c(C)[nH]nc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001598655490 994515028 /nfs/dbraw/zinc/51/50/28/994515028.db2.gz HTEUSFVWISVHOK-UHFFFAOYSA-N -2 0 368.371 0.342 20 0 FCADRL COc1cccc([C@@H](C)C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001599654535 994557408 /nfs/dbraw/zinc/55/74/08/994557408.db2.gz QJXPQGXGHCILNL-LLVKDONJSA-N -2 0 370.427 0.956 20 0 FCADRL COc1cccc([C@H](OC)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001599661617 994664792 /nfs/dbraw/zinc/66/47/92/994664792.db2.gz OBGKNNVSXONHOL-NRUUGDAUSA-N -2 0 359.400 0.938 20 0 FCADRL COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc(F)c(C)c(C(=O)[O-])c1 ZINC001598695619 995132845 /nfs/dbraw/zinc/13/28/45/995132845.db2.gz XHVMEJHSSPOSHC-SNVBAGLBSA-N -2 0 363.319 0.127 20 0 FCADRL C[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(=O)C(C)(C)C(=O)[O-] ZINC001593584887 995699652 /nfs/dbraw/zinc/69/96/52/995699652.db2.gz KTPJCLZKDCMFDI-MRVPVSSYSA-N -2 0 358.372 0.678 20 0 FCADRL C[C@H](Oc1ccc(NC(=O)C(=O)N(C)CCC(=O)[O-])cc1F)C(=O)[O-] ZINC001593623529 995881345 /nfs/dbraw/zinc/88/13/45/995881345.db2.gz WJELPLANIFOJAX-QMMMGPOBSA-N -2 0 356.306 0.549 20 0 FCADRL COC(=O)[C@@H]1CN(C(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)C[C@@H]1C(=O)[O-] ZINC001598813990 996254115 /nfs/dbraw/zinc/25/41/15/996254115.db2.gz AZKNEGRDGVQSIQ-QWHCGFSZSA-N -2 0 373.365 0.420 20 0 FCADRL COC(=O)CC[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCCCC1)C(=O)[O-] ZINC001598857433 996649983 /nfs/dbraw/zinc/64/99/83/996649983.db2.gz PTWNUMRHWMXQRD-SNVBAGLBSA-N -2 0 365.404 0.347 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC)cn1 ZINC001598875140 996758508 /nfs/dbraw/zinc/75/85/08/996758508.db2.gz SUABRUQFLJZGBV-UHFFFAOYSA-N -2 0 369.355 0.564 20 0 FCADRL COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001598876630 996767031 /nfs/dbraw/zinc/76/70/31/996767031.db2.gz UCXNPYAVVWOPHU-UHFFFAOYSA-N -2 0 364.763 0.541 20 0 FCADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2C[C@@]1(C(=O)[O-])[C@@H]2C ZINC001599381545 996861406 /nfs/dbraw/zinc/86/14/06/996861406.db2.gz IWUZVQKSWPRALR-OWCSCZDJSA-N -2 0 355.368 0.877 20 0 FCADRL COCC1(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])CCOCC1 ZINC001599185569 997019689 /nfs/dbraw/zinc/01/96/89/997019689.db2.gz AXQRHYPSUYRYKA-UHFFFAOYSA-N -2 0 364.401 0.089 20 0 FCADRL COc1ccc([C@H](CC(=O)[O-])NC(=O)CCCn2c(=O)[n-][nH]c2=O)cc1 ZINC001599510093 997281829 /nfs/dbraw/zinc/28/18/29/997281829.db2.gz GIEFKSDANVQBOK-LBPRGKRZSA-N -2 0 364.358 0.810 20 0 FCADRL CO[C@@H]1CCC[C@H]([C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C(=O)[O-])C1 ZINC001599105552 997469933 /nfs/dbraw/zinc/46/99/33/997469933.db2.gz GMLWIKRQQZHMQU-UMNHJUIQSA-N -2 0 356.379 0.244 20 0 FCADRL CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C(=O)[O-])C1 ZINC001599105545 997470521 /nfs/dbraw/zinc/47/05/21/997470521.db2.gz GMLWIKRQQZHMQU-CKYFFXLPSA-N -2 0 356.379 0.244 20 0 FCADRL CO[N-]C(=O)CNC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001599319893 997563231 /nfs/dbraw/zinc/56/32/31/997563231.db2.gz DCULPLHEXWAOJC-UHFFFAOYSA-N -2 0 364.383 0.985 20 0 FCADRL C[C@]1([N-]C(=O)C(F)(F)F)CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C1 ZINC001594052184 997753087 /nfs/dbraw/zinc/75/30/87/997753087.db2.gz MTLBZKYTWRGJFI-NSHDSACASA-N -2 0 372.365 0.714 20 0 FCADRL COCCN(CC(=O)[O-])S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001599235043 997930953 /nfs/dbraw/zinc/93/09/53/997930953.db2.gz FQRUJTSSXZLOOA-UHFFFAOYSA-N -2 0 353.299 0.385 20 0 FCADRL C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2csc(C(=O)[O-])n2)C1=O ZINC001594079331 997965720 /nfs/dbraw/zinc/96/57/20/997965720.db2.gz UPUJMOZDWOXLFD-OAHLLOKOSA-N -2 0 360.351 0.953 20 0 FCADRL COc1c(S(=O)(=O)[N-]C(=O)Cc2ccccc2C(=O)[O-])c(C)nn1C ZINC001599344668 997982047 /nfs/dbraw/zinc/98/20/47/997982047.db2.gz LBQTUYIBSKPTAR-UHFFFAOYSA-N -2 0 367.383 0.483 20 0 FCADRL CO[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)[C@](C)(C(=O)[O-])C1 ZINC001599136313 998049746 /nfs/dbraw/zinc/04/97/46/998049746.db2.gz DRFCYMYZTNVTPN-RTHLEPHNSA-N -2 0 361.347 0.777 20 0 FCADRL COc1cc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])sc1Br ZINC001599355155 998167091 /nfs/dbraw/zinc/16/70/91/998167091.db2.gz HEPPKHYXIXOPKT-UHFFFAOYSA-N -2 0 358.191 0.663 20 0 FCADRL COc1cc(S(=O)(=O)N(C)C[C@H](C)C(=O)[O-])cc(C(=O)[O-])c1OC ZINC001599458135 998223288 /nfs/dbraw/zinc/22/32/88/998223288.db2.gz YRPFFEXMJRQGGA-QMMMGPOBSA-N -2 0 361.372 0.743 20 0 FCADRL COCCOCCC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001599250972 998230481 /nfs/dbraw/zinc/23/04/81/998230481.db2.gz MBTDDYQTOZKROE-UHFFFAOYSA-N -2 0 367.326 0.521 20 0 FCADRL COc1cc(S(=O)(=O)N2CCC(OC)(C(=O)[O-])CC2)ccc1C(=O)[O-] ZINC001599458692 998232540 /nfs/dbraw/zinc/23/25/40/998232540.db2.gz FALCBQOGEAIYIH-UHFFFAOYSA-N -2 0 373.383 0.648 20 0 FCADRL COCCOc1cc([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])ccc1OC ZINC001599256509 998313838 /nfs/dbraw/zinc/31/38/38/998313838.db2.gz AHCUISZHEBKRTO-UHFFFAOYSA-N -2 0 371.371 0.943 20 0 FCADRL COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc1F ZINC001598960330 998315897 /nfs/dbraw/zinc/31/58/97/998315897.db2.gz VRKURAPLFLPUEC-UHFFFAOYSA-N -2 0 361.347 0.783 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@@H](C(=O)[O-])C2CCC2)c1 ZINC001598962594 998360868 /nfs/dbraw/zinc/36/08/68/998360868.db2.gz CXAJFYKORICGKC-GFCCVEGCSA-N -2 0 371.367 0.703 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NC(C)(C)CC(=O)[O-])c1 ZINC001598963931 998382616 /nfs/dbraw/zinc/38/26/16/998382616.db2.gz QVICDCLMVKVYAI-UHFFFAOYSA-N -2 0 359.356 0.703 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c1 ZINC001598964671 998393938 /nfs/dbraw/zinc/39/39/38/998393938.db2.gz YCFXZRFFVQCAQG-WPRPVWTQSA-N -2 0 371.367 0.655 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)NCC[C@H](C)CC(=O)[O-] ZINC001598968755 998472808 /nfs/dbraw/zinc/47/28/08/998472808.db2.gz VTJWSDCHNXHJMB-VIFPVBQESA-N -2 0 373.383 0.951 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C)[C@H]1C(=O)[O-] ZINC001598969031 998478793 /nfs/dbraw/zinc/47/87/93/998478793.db2.gz MDHFFVXTZFDGBL-PELKAZGASA-N -2 0 371.367 0.655 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC001598969672 998490608 /nfs/dbraw/zinc/49/06/08/998490608.db2.gz AJKDZAQZFTTYRI-LLVKDONJSA-N -2 0 371.367 0.703 20 0 FCADRL C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001594147497 998494105 /nfs/dbraw/zinc/49/41/05/998494105.db2.gz PPBDIPHPDFNEMQ-IUCAKERBSA-N -2 0 362.354 0.565 20 0 FCADRL C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001594147498 998494556 /nfs/dbraw/zinc/49/45/56/998494556.db2.gz PPBDIPHPDFNEMQ-RKDXNWHRSA-N -2 0 362.354 0.565 20 0 FCADRL COc1ccc(-n2cc([O-])c(C(=O)N3C[C@@H](C)O[C@H](C(=O)[O-])C3)n2)cc1 ZINC001599473996 998497049 /nfs/dbraw/zinc/49/70/49/998497049.db2.gz UMHVOUUDNZLDHT-YGRLFVJLSA-N -2 0 361.354 0.901 20 0 FCADRL COC[C@@H](CS(=O)(=O)[N-]C(=O)C12CCC(C(=O)[O-])(CC1)CC2)OC ZINC001599166552 998550975 /nfs/dbraw/zinc/55/09/75/998550975.db2.gz OQZPGVLMKFWFGC-QGLTVNCISA-N -2 0 363.432 0.519 20 0 FCADRL COC(=O)c1ccccc1CCC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-] ZINC001599003530 998839223 /nfs/dbraw/zinc/83/92/23/998839223.db2.gz WGASGGYIKANYRS-WDEREUQCSA-N -2 0 371.411 0.961 20 0 FCADRL COC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC001599011654 998903841 /nfs/dbraw/zinc/90/38/41/998903841.db2.gz VUCNRPZOYKLINJ-UHFFFAOYSA-N -2 0 353.356 0.635 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cc1 ZINC001599017719 998952693 /nfs/dbraw/zinc/95/26/93/998952693.db2.gz YORMCVIVDYRAPE-UHFFFAOYSA-N -2 0 370.364 0.747 20 0 FCADRL COC(=O)c1sc(S(=O)(=O)[N-]C(=O)[C@H](C)OC)c(C(=O)[O-])c1C ZINC001599022832 998994340 /nfs/dbraw/zinc/99/43/40/998994340.db2.gz WKUMQYXMGPXQBP-LURJTMIESA-N -2 0 365.385 0.381 20 0 FCADRL CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001599035458 999079947 /nfs/dbraw/zinc/07/99/47/999079947.db2.gz FBIXEGCCQBUKQR-LURJTMIESA-N -2 0 366.189 0.987 20 0 FCADRL CO[C@H](C[C@H](NS(=O)(=O)c1ccsc1C(=O)[O-])C(=O)[O-])C1CC1 ZINC001599042700 999129259 /nfs/dbraw/zinc/12/92/59/999129259.db2.gz DEWFNKBXRRGSFN-DTWKUNHWSA-N -2 0 363.413 0.993 20 0 FCADRL C[C@@H]1CN(C(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CC[C@H]1C(=O)[O-] ZINC001594453087 999654312 /nfs/dbraw/zinc/65/43/12/999654312.db2.gz DMKQOQOPHRPQNN-IJLUTSLNSA-N -2 0 352.387 0.269 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c(F)cc1C ZINC000296923234 214369729 /nfs/dbraw/zinc/36/97/29/214369729.db2.gz KYJDOCPWBOWCKQ-VIFPVBQESA-N -2 0 363.319 0.127 20 0 FCADRL COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000296995136 214374174 /nfs/dbraw/zinc/37/41/74/214374174.db2.gz QNTJPTPUXMJVOM-VIFPVBQESA-N -2 0 371.289 0.920 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccc2c(c1)C(=O)CCC2)C(=O)[O-] ZINC000290757877 213989893 /nfs/dbraw/zinc/98/98/93/213989893.db2.gz ZAQNKWWTMBCUHO-SNVBAGLBSA-N -2 0 355.368 0.659 20 0 FCADRL CCOC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])ccc1C ZINC000285204214 213302639 /nfs/dbraw/zinc/30/26/39/213302639.db2.gz RIZFDOBLOWHKRU-UHFFFAOYSA-N -2 0 359.356 0.332 20 0 FCADRL CCOC(=O)c1cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])ccc1C ZINC000285013312 213266529 /nfs/dbraw/zinc/26/65/29/213266529.db2.gz HOBMOOACCRDGMR-LBPRGKRZSA-N -2 0 373.383 0.768 20 0 FCADRL CC(=O)N1c2ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc2C[C@@H]1C ZINC000364419371 215675010 /nfs/dbraw/zinc/67/50/10/215675010.db2.gz OMMASOBHUVCOOI-VIFPVBQESA-N -2 0 370.383 0.144 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cn3c(n2)CCCC3)C1 ZINC000366645789 216009681 /nfs/dbraw/zinc/00/96/81/216009681.db2.gz UBZKPSFLJHZOFH-AWEZNQCLSA-N -2 0 357.388 0.160 20 0 FCADRL COc1ccccc1C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)C(=O)[O-] ZINC000262172334 209537838 /nfs/dbraw/zinc/53/78/38/209537838.db2.gz QQIVCCANZAUSNZ-LLVKDONJSA-N -2 0 361.354 0.168 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC[C@@H]1C(=O)[O-] ZINC000277156209 212335481 /nfs/dbraw/zinc/33/54/81/212335481.db2.gz SAKZJCCXGVSZKZ-APPZFPTMSA-N -2 0 368.371 0.167 20 0 FCADRL CC(=O)NCCc1ccc(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])s1 ZINC000275314522 212005577 /nfs/dbraw/zinc/00/55/77/212005577.db2.gz RQHFXDUQYGDUKB-SECBINFHSA-N -2 0 370.399 0.813 20 0 FCADRL O=c1[n-]nnn1-c1ccc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)cc1 ZINC000373866201 217069701 /nfs/dbraw/zinc/06/97/01/217069701.db2.gz LWBNBFUSZFJOJA-UHFFFAOYSA-N -2 0 361.387 0.702 20 0 FCADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000275016723 211947611 /nfs/dbraw/zinc/94/76/11/211947611.db2.gz QXVBEMCXZCWCGO-SECBINFHSA-N -2 0 374.371 0.107 20 0 FCADRL COC(=O)c1cc(C)ccc1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-] ZINC000275010352 211946494 /nfs/dbraw/zinc/94/64/94/211946494.db2.gz PTXINSUQOWOBFV-VIFPVBQESA-N -2 0 359.356 0.235 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C[C@H]1C(=O)[O-] ZINC000274951006 211937321 /nfs/dbraw/zinc/93/73/21/211937321.db2.gz AJSYRUMCFYEFCN-GHMZBOCLSA-N -2 0 371.367 0.254 20 0 FCADRL CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)[N-]c1cn[nH]c1 ZINC000270456083 211205124 /nfs/dbraw/zinc/20/51/24/211205124.db2.gz HGWDSJKMHKDDFX-UHFFFAOYSA-N -2 0 360.417 0.981 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000320854977 488901182 /nfs/dbraw/zinc/90/11/82/488901182.db2.gz PSQWVFPCCCIHNH-MRVPVSSYSA-N -2 0 350.280 0.330 20 0 FCADRL O=C([O-])CCC[C@@H](NS(=O)(=O)c1cnn(CC(F)(F)F)c1)C(=O)[O-] ZINC000278819850 488897672 /nfs/dbraw/zinc/89/76/72/488897672.db2.gz XRRJCLPRXHFNQW-MRVPVSSYSA-N -2 0 373.309 0.432 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1C ZINC000325284568 488909483 /nfs/dbraw/zinc/90/94/83/488909483.db2.gz POAUAGKYRUWZKN-VXGBXAGGSA-N -2 0 357.384 0.800 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cc1C(=O)[O-] ZINC000326602266 488916107 /nfs/dbraw/zinc/91/61/07/488916107.db2.gz GICCRVRSHIQANB-UHFFFAOYSA-N -2 0 368.371 0.266 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1 ZINC000327102572 488917800 /nfs/dbraw/zinc/91/78/00/488917800.db2.gz XRWQMQLJIAUMTN-QWHCGFSZSA-N -2 0 370.383 0.441 20 0 FCADRL Cn1nc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1OC(F)F ZINC000562912479 491200783 /nfs/dbraw/zinc/20/07/83/491200783.db2.gz MYGMTFZZESBSFR-UHFFFAOYSA-N -2 0 361.326 1.449 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000093091639 488478334 /nfs/dbraw/zinc/47/83/34/488478334.db2.gz UONQFSSTWZHXML-MRVPVSSYSA-N -2 0 352.162 0.655 20 0 FCADRL COCc1ccccc1CS(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000569954481 491206331 /nfs/dbraw/zinc/20/63/31/491206331.db2.gz WYHAWBGLPJSVTG-CYBMUJFWSA-N -2 0 359.400 0.961 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NCCCC(=O)[O-])c1 ZINC000262625859 488582888 /nfs/dbraw/zinc/58/28/88/488582888.db2.gz NPDYYDGJMANQAN-UHFFFAOYSA-N -2 0 357.388 0.611 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)Cc1ccc(Br)cc1)C(=O)[O-] ZINC000274931417 488744940 /nfs/dbraw/zinc/74/49/40/488744940.db2.gz PBKVBEPQKYXZBM-VIFPVBQESA-N -2 0 366.189 0.796 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)[O-] ZINC000274937132 488745715 /nfs/dbraw/zinc/74/57/15/488745715.db2.gz FKNKPFVMVAFKCZ-JTQLQIEISA-N -2 0 370.383 0.415 20 0 FCADRL COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-] ZINC000274950565 488747282 /nfs/dbraw/zinc/74/72/82/488747282.db2.gz SMQJSBRTSJDGIX-MRVPVSSYSA-N -2 0 365.747 0.333 20 0 FCADRL COC(=O)c1cccc(CS(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000275014136 488753443 /nfs/dbraw/zinc/75/34/43/488753443.db2.gz CFXNLLDMTIKGQS-NSHDSACASA-N -2 0 359.356 0.211 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc3c(c2)OCO3)C1 ZINC000275103856 488761881 /nfs/dbraw/zinc/76/18/81/488761881.db2.gz LZTYMECCZSHUHB-CQSZACIVSA-N -2 0 357.340 0.355 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1C ZINC000275121170 488763495 /nfs/dbraw/zinc/76/34/95/488763495.db2.gz TZEAJGJTPBKEHH-NSHDSACASA-N -2 0 359.356 0.378 20 0 FCADRL CC[C@@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000275133467 488764602 /nfs/dbraw/zinc/76/46/02/488764602.db2.gz PJAMUBXPIQFCJD-XCBNKYQSSA-N -2 0 370.387 0.556 20 0 FCADRL C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@](CC(=O)[O-])(C(=O)[O-])C3)ccc2O1 ZINC000275142318 488765912 /nfs/dbraw/zinc/76/59/12/488765912.db2.gz QISCPJVPXLTYDQ-QLJPJBMISA-N -2 0 369.395 0.950 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c12)C(=O)[O-] ZINC000275142498 488766037 /nfs/dbraw/zinc/76/60/37/488766037.db2.gz XAQXWWYUYRBKIE-ZETCQYMHSA-N -2 0 361.763 0.813 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)nc2)CC[C@@H]1C(=O)[O-] ZINC000275143309 488766110 /nfs/dbraw/zinc/76/61/10/488766110.db2.gz QNALHACTGGJLJW-UWVGGRQHSA-N -2 0 362.791 0.672 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cc1 ZINC000275151609 488766616 /nfs/dbraw/zinc/76/66/16/488766616.db2.gz RRVIIKXLUZSWGD-OAHLLOKOSA-N -2 0 370.383 0.585 20 0 FCADRL CC1(C(=O)[O-])CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000275158409 488767056 /nfs/dbraw/zinc/76/70/56/488767056.db2.gz SSBHKHOPYNUOPU-UHFFFAOYSA-N -2 0 368.371 0.311 20 0 FCADRL COc1ccc(C)cc1S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000275163223 488767613 /nfs/dbraw/zinc/76/76/13/488767613.db2.gz UGCLAOWOGKKXOY-OAHLLOKOSA-N -2 0 357.384 0.944 20 0 FCADRL COc1ccc(C)cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000275173251 488768714 /nfs/dbraw/zinc/76/87/14/488768714.db2.gz VUFHLSLXJKVPBB-QWRGUYRKSA-N -2 0 357.384 0.800 20 0 FCADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)C1 ZINC000275200772 488771732 /nfs/dbraw/zinc/77/17/32/488771732.db2.gz YXNGFMXAAQYZOI-INIZCTEOSA-N -2 0 369.395 0.952 20 0 FCADRL C[C@]1(C(=O)[O-])CCCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000281643774 489093666 /nfs/dbraw/zinc/09/36/66/489093666.db2.gz AVTNACNGJDJBLW-CQSZACIVSA-N -2 0 368.371 0.454 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1Cl ZINC000298417987 489324269 /nfs/dbraw/zinc/32/42/69/489324269.db2.gz PESJPQLFWVOURP-VIFPVBQESA-N -2 0 351.764 0.945 20 0 FCADRL COCCn1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)cn1 ZINC000299554136 489454743 /nfs/dbraw/zinc/45/47/43/489454743.db2.gz DMXQDHDRELVSNK-UHFFFAOYSA-N -2 0 373.362 0.933 20 0 FCADRL Cc1c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)cnn1C ZINC000427265462 489599580 /nfs/dbraw/zinc/59/95/80/489599580.db2.gz CHMGVOAJGBFKSI-UHFFFAOYSA-N -2 0 373.412 0.631 20 0 FCADRL CN(CC(=O)[O-])C(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C)c1 ZINC000427742672 489619112 /nfs/dbraw/zinc/61/91/12/489619112.db2.gz RBCNKRZZYGDISW-UHFFFAOYSA-N -2 0 358.401 0.439 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000431643815 489814429 /nfs/dbraw/zinc/81/44/29/489814429.db2.gz DUOSCERHNQMOFB-UHFFFAOYSA-N -2 0 356.335 0.731 20 0 FCADRL COCCc1nc(=NCCN2c3ccccc3[N-]S2(=O)=O)s[n-]1 ZINC000447692488 490260062 /nfs/dbraw/zinc/26/00/62/490260062.db2.gz FRURCIZFEPWWIX-UHFFFAOYSA-N -2 0 355.445 0.738 20 0 FCADRL C[C@H]([C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-])C1CC1 ZINC000521906895 490311159 /nfs/dbraw/zinc/31/11/59/490311159.db2.gz NTHNHDOUZHDGSE-WKEGUHRASA-N -2 0 368.371 0.214 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000547547755 490312454 /nfs/dbraw/zinc/31/24/54/490312454.db2.gz ULJKURBTLBGSSU-SSDOTTSWSA-N -2 0 370.152 0.794 20 0 FCADRL C[C@](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)(CC(=O)[O-])C(=O)[O-] ZINC000547615986 490331213 /nfs/dbraw/zinc/33/12/13/490331213.db2.gz RGHBOGILKIQIRS-CYBMUJFWSA-N -2 0 360.344 0.580 20 0 FCADRL NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000467750267 490336828 /nfs/dbraw/zinc/33/68/28/490336828.db2.gz WWJQQDSMWGMCAU-UHFFFAOYSA-N -2 0 372.380 0.539 20 0 FCADRL NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1 ZINC000547868715 490369187 /nfs/dbraw/zinc/36/91/87/490369187.db2.gz HAEGVTDTZURJRO-UHFFFAOYSA-N -2 0 364.335 0.983 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000547882970 490376785 /nfs/dbraw/zinc/37/67/85/490376785.db2.gz ZQPTYCGNYMKPOC-ZETCQYMHSA-N -2 0 370.152 0.794 20 0 FCADRL CC(C)C(=O)c1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000547889699 490377542 /nfs/dbraw/zinc/37/75/42/490377542.db2.gz JFNPEYXNZJXCHR-LLVKDONJSA-N -2 0 357.384 0.979 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)[O-] ZINC000547904306 490383610 /nfs/dbraw/zinc/38/36/10/490383610.db2.gz HUIALMLWEAXCRB-NSHDSACASA-N -2 0 354.340 0.124 20 0 FCADRL C[C@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@H](C(=O)[O-])C1 ZINC000547918189 490385541 /nfs/dbraw/zinc/38/55/41/490385541.db2.gz MNKBHJJMJAPHRO-XVKPBYJWSA-N -2 0 368.371 0.310 20 0 FCADRL C[C@@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@@H](C(=O)[O-])C1 ZINC000547918186 490385660 /nfs/dbraw/zinc/38/56/60/490385660.db2.gz MNKBHJJMJAPHRO-GMSGAONNSA-N -2 0 368.371 0.310 20 0 FCADRL Cc1cnn(-c2ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc2F)c1 ZINC000548209489 490439795 /nfs/dbraw/zinc/43/97/95/490439795.db2.gz RDKUAUUPWCDWNP-UHFFFAOYSA-N -2 0 371.346 0.480 20 0 FCADRL C[C@@H](CCCCC(=O)[O-])NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000548214428 490442622 /nfs/dbraw/zinc/44/26/22/490442622.db2.gz VVOCAXSEMXKSEE-QMMMGPOBSA-N -2 0 370.387 0.748 20 0 FCADRL CCn1nc(C)c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1C ZINC000548244103 490448415 /nfs/dbraw/zinc/44/84/15/490448415.db2.gz HCTZEWOLCALPLE-GHMZBOCLSA-N -2 0 359.404 0.316 20 0 FCADRL CC(=O)Nc1ccc(C)c(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000548267435 490454103 /nfs/dbraw/zinc/45/41/03/490454103.db2.gz HVDDYOUHTMSIGZ-OAHLLOKOSA-N -2 0 372.399 0.797 20 0 FCADRL CCOC(=O)c1cc(F)cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1 ZINC000548536534 490500027 /nfs/dbraw/zinc/50/00/27/490500027.db2.gz IGUBUTIKIWWPFL-UHFFFAOYSA-N -2 0 363.319 0.162 20 0 FCADRL CC1(C)C(=O)Nc2ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc21 ZINC000548538463 490500838 /nfs/dbraw/zinc/50/08/38/490500838.db2.gz OJHBSVTZSJJJFK-SNVBAGLBSA-N -2 0 356.356 0.123 20 0 FCADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000548590443 490513660 /nfs/dbraw/zinc/51/36/60/490513660.db2.gz XPCKDQIYZCYZCG-AWEZNQCLSA-N -2 0 361.420 0.925 20 0 FCADRL CN(C)C(=O)c1cccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000548595789 490516117 /nfs/dbraw/zinc/51/61/17/490516117.db2.gz XJYDKEOWIPWPCS-HNNXBMFYSA-N -2 0 372.399 0.232 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2cnn(C3CCOCC3)c2)c1C(=O)[O-] ZINC000538093399 490710229 /nfs/dbraw/zinc/71/02/29/490710229.db2.gz BNGKKIAEMFCUBG-UHFFFAOYSA-N -2 0 355.376 0.467 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1C(=O)[O-] ZINC000540292532 490813870 /nfs/dbraw/zinc/81/38/70/490813870.db2.gz KXBVJGPEHQGOSY-UHFFFAOYSA-N -2 0 365.371 0.110 20 0 FCADRL COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000540295007 490814383 /nfs/dbraw/zinc/81/43/83/490814383.db2.gz YWKYNLAYYLYLPM-UHFFFAOYSA-N -2 0 357.344 0.916 20 0 FCADRL COCCS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OCC(=O)N(C)C ZINC000530147385 490890970 /nfs/dbraw/zinc/89/09/70/490890970.db2.gz VTDVRAVEWJTKLP-UHFFFAOYSA-N -2 0 360.388 0.240 20 0 FCADRL COc1cc(OC)c(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1Cl ZINC000565466003 491378664 /nfs/dbraw/zinc/37/86/64/491378664.db2.gz YBDOZUQJTWXSKD-UHFFFAOYSA-N -2 0 367.763 0.517 20 0 FCADRL Cc1cnc2c(cccc2S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000572814080 491394870 /nfs/dbraw/zinc/39/48/70/491394870.db2.gz VLUAPMCPHGORMX-LLVKDONJSA-N -2 0 352.368 0.997 20 0 FCADRL COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000572819733 491395429 /nfs/dbraw/zinc/39/54/29/491395429.db2.gz CKAQHJPEGLJKNT-HBNTYKKESA-N -2 0 365.404 0.346 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000566077269 491416038 /nfs/dbraw/zinc/41/60/38/491416038.db2.gz NHKDTBQUWLQDDT-UHFFFAOYSA-N -2 0 357.262 0.587 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)Cc1ccccc1Br)C(=O)[O-] ZINC000558474004 491432595 /nfs/dbraw/zinc/43/25/95/491432595.db2.gz CSRRKZKOFUNWEU-VIFPVBQESA-N -2 0 366.189 0.796 20 0 FCADRL O=C([O-])CCC[C@@H](NS(=O)(=O)Cc1noc2ccccc12)C(=O)[O-] ZINC000573901838 491461426 /nfs/dbraw/zinc/46/14/26/491461426.db2.gz KLDYBQMGQRDJLO-SNVBAGLBSA-N -2 0 356.356 0.955 20 0 FCADRL CC(C)(C)c1nc(=NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)s[n-]1 ZINC000567635497 491519500 /nfs/dbraw/zinc/51/95/00/491519500.db2.gz LQZBYWUZSIMWBB-VIFPVBQESA-N -2 0 354.432 0.909 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](C)[C@H](C(=O)[O-])C(C)C ZINC000576390069 491610842 /nfs/dbraw/zinc/61/08/42/491610842.db2.gz GJEOAEQYAIQXJO-JGVFFNPUSA-N -2 0 350.418 0.953 20 0 FCADRL CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cn1 ZINC000584442330 491591685 /nfs/dbraw/zinc/59/16/85/491591685.db2.gz GTYBRRWVKFPOCK-UHFFFAOYSA-N -2 0 370.408 0.913 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cnc1C ZINC000562371864 491667706 /nfs/dbraw/zinc/66/77/06/491667706.db2.gz NXMDDRNCFLPPDT-UHFFFAOYSA-N -2 0 354.344 0.409 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000578189689 491671748 /nfs/dbraw/zinc/67/17/48/491671748.db2.gz IHDAXMHTXMKDQK-UHFFFAOYSA-N -2 0 355.290 0.951 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000581124821 491760339 /nfs/dbraw/zinc/76/03/39/491760339.db2.gz XXMXWVRWQXPYSM-ZCFIWIBFSA-N -2 0 371.289 0.881 20 0 FCADRL C[C@](CO)(C[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)CC(=O)[O-] ZINC000581135632 491760815 /nfs/dbraw/zinc/76/08/15/491760815.db2.gz QMOOSYPJAMMPJC-GFCCVEGCSA-N -2 0 359.297 0.995 20 0 FCADRL NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cc1 ZINC000590385087 491774870 /nfs/dbraw/zinc/77/48/70/491774870.db2.gz ZVESPEYSPQOIKH-UHFFFAOYSA-N -2 0 372.380 0.539 20 0 FCADRL O=C([O-])CC[C@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000582305240 491806749 /nfs/dbraw/zinc/80/67/49/491806749.db2.gz SQBSNGHFCZDHIP-LURJTMIESA-N -3 0 359.253 0.839 20 0 FCADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2c(C)onc2N)c1OC ZINC000582823858 491828235 /nfs/dbraw/zinc/82/82/35/491828235.db2.gz XVBAPRYQZXNFIT-UHFFFAOYSA-N -2 0 357.344 1.081 20 0 FCADRL Cc1cc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)nc2[nH]c(=O)nc([O-])c12 ZINC000614388854 492027419 /nfs/dbraw/zinc/02/74/19/492027419.db2.gz IMLVAGNKEVPSRI-MRVPVSSYSA-N -2 0 372.341 0.853 20 0 FCADRL CCC[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000647729597 492351210 /nfs/dbraw/zinc/35/12/10/492351210.db2.gz DEJCKJXSNALCMM-SNVBAGLBSA-N -2 0 350.343 0.613 20 0 FCADRL COc1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1F ZINC000656158772 492558781 /nfs/dbraw/zinc/55/87/81/492558781.db2.gz NPQXWGIELKBSTF-BDAKNGLRSA-N -2 0 361.347 0.630 20 0 FCADRL C[C@](O)(CNS(=O)(=O)Cc1cc(F)ccc1Br)C(=O)[O-] ZINC000656563077 492633632 /nfs/dbraw/zinc/63/36/32/492633632.db2.gz NXPSPRPGVRFJGN-NSHDSACASA-N -2 0 370.196 0.843 20 0 FCADRL Cn1nncc1S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCCCO2 ZINC000650388593 492637039 /nfs/dbraw/zinc/63/70/39/492637039.db2.gz UMZGFJKBGRGTLV-UHFFFAOYSA-N -2 0 354.344 0.475 20 0 FCADRL CC(=O)N(C)c1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000681563042 493187260 /nfs/dbraw/zinc/18/72/60/493187260.db2.gz JTFOUVCJSDCSTL-GFCCVEGCSA-N -2 0 358.372 0.266 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)C2Cc3ccccc3C2)C[C@H]1C(=O)[O-] ZINC000681590228 493193226 /nfs/dbraw/zinc/19/32/26/493193226.db2.gz FWTNTMHFILRBOK-ZIAGYGMSSA-N -2 0 353.396 0.591 20 0 FCADRL Cc1noc2ncc(S(=O)(=O)N3CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C3)cc12 ZINC000681590981 493193722 /nfs/dbraw/zinc/19/37/22/493193722.db2.gz VZQSAJDFESVDDQ-MWLCHTKSSA-N -2 0 369.355 0.327 20 0 FCADRL CC(=O)NCCN(C(=O)c1ccc(OCC(=O)[O-])cc1)[C@@H](C)C(=O)[O-] ZINC000659761617 493288213 /nfs/dbraw/zinc/28/82/13/493288213.db2.gz PAAQIPYSJZWPMA-JTQLQIEISA-N -2 0 352.343 0.201 20 0 FCADRL O=C([O-])Cc1ccc(C[C@H](NS(=O)(=O)c2c[nH]cn2)C(=O)[O-])cc1 ZINC000684562037 493419146 /nfs/dbraw/zinc/41/91/46/493419146.db2.gz MLLZBUKELUIPQU-NSHDSACASA-N -2 0 353.356 0.011 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c1C(=O)[O-] ZINC000685001511 493441657 /nfs/dbraw/zinc/44/16/57/493441657.db2.gz MEFXCABHXXHDBD-UHFFFAOYSA-N -2 0 358.763 0.671 20 0 FCADRL CCc1nc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cn1CC1CC1 ZINC000663291111 493582502 /nfs/dbraw/zinc/58/25/02/493582502.db2.gz MECFMDIDPMGNDM-LLVKDONJSA-N -2 0 373.431 0.842 20 0 FCADRL COc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000663292045 493582559 /nfs/dbraw/zinc/58/25/59/493582559.db2.gz RZPFMTBDSIAKOL-ZJUUUORDSA-N -2 0 361.347 0.630 20 0 FCADRL O=C([N-][N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cnccn1 ZINC000047522103 674348806 /nfs/dbraw/zinc/34/88/06/674348806.db2.gz UVPFJWXEYSGKIW-UHFFFAOYSA-N -2 0 357.735 0.662 20 0 FCADRL CCCc1nc(=NC(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)s[n-]1 ZINC000417801348 535475653 /nfs/dbraw/zinc/47/56/53/535475653.db2.gz VRDLEYIWYUZICL-GXSJLCMTSA-N -2 0 369.447 0.744 20 0 FCADRL CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCOC1 ZINC000594689132 546815614 /nfs/dbraw/zinc/81/56/14/546815614.db2.gz DBADVTMSXFLXMD-XCBNKYQSSA-N -2 0 363.310 0.034 20 0 FCADRL C[C@H]1C(=O)Nc2ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc21 ZINC000324182150 546847304 /nfs/dbraw/zinc/84/73/04/546847304.db2.gz HZZCPRQGWNKFED-RDDDGLTNSA-N -2 0 356.356 0.339 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1F ZINC000278193149 546868778 /nfs/dbraw/zinc/86/87/78/546868778.db2.gz RLWWXQMMEXCIHH-ZETCQYMHSA-N -2 0 363.319 0.066 20 0 FCADRL Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N(C)C[C@H](C)c2nnn[n-]2)c1 ZINC000273568077 547392082 /nfs/dbraw/zinc/39/20/82/547392082.db2.gz YRSMBLKKNAWKOH-JTQLQIEISA-N -2 0 352.420 0.755 20 0 FCADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c1 ZINC000821549858 598148668 /nfs/dbraw/zinc/14/86/68/598148668.db2.gz UYQATHWRNJEPKK-UHFFFAOYSA-N -2 0 373.350 0.479 20 0 FCADRL COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000820660570 598160388 /nfs/dbraw/zinc/16/03/88/598160388.db2.gz IJXLTHLXDZTIQR-UHFFFAOYSA-N -2 0 370.383 0.244 20 0 FCADRL CC[C@H](C)[C@H](NC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC000820437672 598195628 /nfs/dbraw/zinc/19/56/28/598195628.db2.gz JYUIEQYHBACOIQ-ZANVPECISA-N -2 0 372.399 0.279 20 0 FCADRL NS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000319689943 599736873 /nfs/dbraw/zinc/73/68/73/599736873.db2.gz WLIDFJBMTNIGQV-UHFFFAOYSA-N -2 0 361.357 0.394 20 0 FCADRL COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NC[C@H](C)C(=O)[O-])cc2)[n-]1 ZINC000737626971 599773654 /nfs/dbraw/zinc/77/36/54/599773654.db2.gz CNAUQGCKMGDKEM-JTQLQIEISA-N -2 0 361.354 0.332 20 0 FCADRL COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)CCCNC(=O)[O-])cc1 ZINC000737691444 599800216 /nfs/dbraw/zinc/80/02/16/599800216.db2.gz OQEFNXISWVCFIT-UHFFFAOYSA-N -2 0 358.372 0.467 20 0 FCADRL O=C([O-])CSCCC(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1 ZINC000739846321 599800993 /nfs/dbraw/zinc/80/09/93/599800993.db2.gz OFVKCIQYIPZPEU-UHFFFAOYSA-N -2 0 358.441 0.614 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000737686873 599870355 /nfs/dbraw/zinc/87/03/55/599870355.db2.gz AGTYMENJNSVCJB-JTQLQIEISA-N -2 0 357.340 0.409 20 0 FCADRL NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])cc1 ZINC000739201902 599873854 /nfs/dbraw/zinc/87/38/54/599873854.db2.gz VBRKITGYQWAOSZ-UHFFFAOYSA-N -2 0 362.410 0.895 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CCOc3ccccc32)CC1 ZINC000739598121 599890660 /nfs/dbraw/zinc/89/06/60/599890660.db2.gz SAPIBODUUSFFGT-CYBMUJFWSA-N -2 0 368.411 0.710 20 0 FCADRL COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCC[C@@H]3C(=O)[O-])cc2)[n-]1 ZINC000737627001 600070777 /nfs/dbraw/zinc/07/07/77/600070777.db2.gz DBVSGLLAAFHJAK-CQSZACIVSA-N -2 0 373.365 0.570 20 0 FCADRL CO[C@](C)(C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000737724075 600122232 /nfs/dbraw/zinc/12/22/32/600122232.db2.gz UBOYSWSPPTZGAB-INIZCTEOSA-N -2 0 370.427 0.706 20 0 FCADRL O=C([O-])c1c2c(sc1NC(=O)Cn1[n-]cc3c(=O)ncnc1-3)CCC2 ZINC000739355451 600190169 /nfs/dbraw/zinc/19/01/69/600190169.db2.gz KONYVEVWCSMEKO-UHFFFAOYSA-N -2 0 359.367 0.958 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000738229517 600199949 /nfs/dbraw/zinc/19/99/49/600199949.db2.gz JYODSHAJBBQZFK-KRWDZBQOSA-N -2 0 357.370 0.860 20 0 FCADRL COC(=O)Cc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cc1 ZINC000737629022 600230540 /nfs/dbraw/zinc/23/05/40/600230540.db2.gz VRHCRQIMLMIBSQ-UHFFFAOYSA-N -2 0 353.356 0.933 20 0 FCADRL Cc1nn(C)c2ncc([N-]S(=O)(=O)c3n[nH]c(C)c3C(=O)[O-])cc12 ZINC000738826996 600231041 /nfs/dbraw/zinc/23/10/41/600231041.db2.gz CLYZAMXSVCAUCC-UHFFFAOYSA-N -2 0 350.360 0.807 20 0 FCADRL Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)c3ccsc3C(=O)[O-])cn12 ZINC000738937187 600242107 /nfs/dbraw/zinc/24/21/07/600242107.db2.gz YULUXOFSPTWEEE-UHFFFAOYSA-N -2 0 366.380 0.916 20 0 FCADRL O=C([O-])c1cn(CC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c2ccccc12 ZINC000739359735 600243342 /nfs/dbraw/zinc/24/33/42/600243342.db2.gz PQGKZZRVYZELDZ-JTQLQIEISA-N -2 0 352.368 0.574 20 0 FCADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1 ZINC000740114811 600377575 /nfs/dbraw/zinc/37/75/75/600377575.db2.gz JEXFQNANDCOOBF-UHFFFAOYSA-N -2 0 374.374 0.789 20 0 FCADRL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C(=O)[O-])c2)s1 ZINC000739179954 600440680 /nfs/dbraw/zinc/44/06/80/600440680.db2.gz GDNXSRDNLQCMDV-UHFFFAOYSA-N -2 0 354.365 0.664 20 0 FCADRL C[C@H]1Oc2c(cccc2C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])NC1=O ZINC000736832938 600462094 /nfs/dbraw/zinc/46/20/94/600462094.db2.gz CDRJVZVTWHLORI-MRVPVSSYSA-N -2 0 356.356 0.330 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000739695900 600463064 /nfs/dbraw/zinc/46/30/64/600463064.db2.gz UBSATUCYRPCGIN-SNVBAGLBSA-N -2 0 358.347 0.562 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000739695115 600463072 /nfs/dbraw/zinc/46/30/72/600463072.db2.gz GKXCAPFAZJXBBG-GFCCVEGCSA-N -2 0 372.374 0.489 20 0 FCADRL COc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc2c1OCCO2 ZINC000737848985 600464251 /nfs/dbraw/zinc/46/42/51/600464251.db2.gz IVCXKXQVNKABLC-UHFFFAOYSA-N -2 0 359.356 0.391 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cnnn1-c1ccccc1Cl ZINC000739696251 600464724 /nfs/dbraw/zinc/46/47/24/600464724.db2.gz NPXQTTDZFUEQAO-UHFFFAOYSA-N -2 0 372.790 0.845 20 0 FCADRL CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c1 ZINC000737558290 600514670 /nfs/dbraw/zinc/51/46/70/600514670.db2.gz WAUBOXVOTBXWGZ-UHFFFAOYSA-N -2 0 371.396 0.489 20 0 FCADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000740249210 600515196 /nfs/dbraw/zinc/51/51/96/600515196.db2.gz QPFYRGFGABKEDJ-UHFFFAOYSA-N -2 0 362.323 0.110 20 0 FCADRL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC000738176777 600529803 /nfs/dbraw/zinc/52/98/03/600529803.db2.gz ZAZKAKLAWDGRJB-UHFFFAOYSA-N -2 0 359.385 0.172 20 0 FCADRL Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cnn(CC(=O)[O-])c3)cc12 ZINC000738917704 600531002 /nfs/dbraw/zinc/53/10/02/600531002.db2.gz CXUKJOGIHPDYMQ-UHFFFAOYSA-N -2 0 350.360 0.359 20 0 FCADRL CNS(=O)(=O)c1ccc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)o1 ZINC000737556839 600555629 /nfs/dbraw/zinc/55/56/29/600555629.db2.gz CCZPGAPIRNLMIE-UHFFFAOYSA-N -2 0 374.400 0.699 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)NN=c2c(F)c(F)[n-]c(F)c2F)c[nH]1 ZINC000729663168 600671237 /nfs/dbraw/zinc/67/12/37/600671237.db2.gz XBGIGLVAEURRQO-UHFFFAOYSA-N -2 0 354.241 0.970 20 0 FCADRL NC(=O)c1oc2ccccc2c1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833087830 600672267 /nfs/dbraw/zinc/67/22/67/600672267.db2.gz OUSXBONPEYPRLM-UHFFFAOYSA-N -2 0 364.339 0.614 20 0 FCADRL CNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000831005874 600674381 /nfs/dbraw/zinc/67/43/81/600674381.db2.gz ZXLXGDHUWNHGLM-UHFFFAOYSA-N -2 0 372.790 0.782 20 0 FCADRL CCCNC(=O)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000829519909 600677100 /nfs/dbraw/zinc/67/71/00/600677100.db2.gz XBACEKFCYMEEAG-UHFFFAOYSA-N -2 0 366.399 0.908 20 0 FCADRL CNC(=O)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1Cl ZINC000831015972 600677212 /nfs/dbraw/zinc/67/72/12/600677212.db2.gz QDCVPLLKMQQPBL-UHFFFAOYSA-N -2 0 372.790 0.782 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cnn(Cc3ccncc3)c2)cn1 ZINC000833274012 600678842 /nfs/dbraw/zinc/67/88/42/600678842.db2.gz MCQXFHGGBSIISL-UHFFFAOYSA-N -2 0 362.371 0.408 20 0 FCADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000833238902 600682755 /nfs/dbraw/zinc/68/27/55/600682755.db2.gz JSAMUFVWRAGQRR-UHFFFAOYSA-N -3 0 369.355 0.622 20 0 FCADRL O=C([O-])CN(CCN1CCOCC1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000833247918 600724803 /nfs/dbraw/zinc/72/48/03/600724803.db2.gz BLLJYILGJBRANP-UHFFFAOYSA-N -2 0 374.397 0.437 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)ccc1C ZINC000831353365 600812140 /nfs/dbraw/zinc/81/21/40/600812140.db2.gz HADWABCWXSWFSI-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1C ZINC000737703462 600893247 /nfs/dbraw/zinc/89/32/47/600893247.db2.gz XOMOGDPOQKBQSE-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000739201867 600893823 /nfs/dbraw/zinc/89/38/23/600893823.db2.gz SBFAKPBWMLQIBI-UHFFFAOYSA-N -2 0 374.371 0.972 20 0 FCADRL CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000826755006 600944261 /nfs/dbraw/zinc/94/42/61/600944261.db2.gz VLEQPYKSTKIISZ-UHFFFAOYSA-N -2 0 356.400 0.742 20 0 FCADRL CC(=O)c1[nH]c(CC(=O)[N-]S(=O)(=O)CC(F)(F)F)c(C(=O)[O-])c1C ZINC000825936654 600961375 /nfs/dbraw/zinc/96/13/75/600961375.db2.gz JEZHUQNOEJPWNK-UHFFFAOYSA-N -2 0 370.305 0.775 20 0 FCADRL CCOC(=O)Cc1csc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)n1 ZINC000829852719 600974935 /nfs/dbraw/zinc/97/49/35/600974935.db2.gz KGIFFQYFOSIZFP-UHFFFAOYSA-N -2 0 374.400 0.331 20 0 FCADRL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)ccc1F ZINC000825890285 600986554 /nfs/dbraw/zinc/98/65/54/600986554.db2.gz HRVZBAKVHIDEMX-UHFFFAOYSA-N -2 0 357.323 0.261 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c(C)c1 ZINC000831444874 600987182 /nfs/dbraw/zinc/98/71/82/600987182.db2.gz UYOZYLAHJNYGIU-UHFFFAOYSA-N -2 0 354.344 0.259 20 0 FCADRL O=C([O-])c1cnc(N(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C2CC2)s1 ZINC000740259460 601041272 /nfs/dbraw/zinc/04/12/72/601041272.db2.gz JVQSXQKKPLWHLT-UHFFFAOYSA-N -2 0 360.355 0.422 20 0 FCADRL CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000825828783 601192415 /nfs/dbraw/zinc/19/24/15/601192415.db2.gz NAVBGYHARMXGQB-HNNXBMFYSA-N -2 0 354.384 0.448 20 0 FCADRL CNS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccccn2)c(C)o1 ZINC000831028992 601292013 /nfs/dbraw/zinc/29/20/13/601292013.db2.gz DYEKVAYLUFPTNJ-LBPRGKRZSA-N -2 0 353.356 0.447 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)ccc1F ZINC000831348328 601330610 /nfs/dbraw/zinc/33/06/10/601330610.db2.gz BHUNOUOHXCGHIZ-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncc(C(N)=O)s1 ZINC000832208842 601358904 /nfs/dbraw/zinc/35/89/04/601358904.db2.gz XOVZJULMRIQZTQ-UHFFFAOYSA-N -2 0 357.369 0.750 20 0 FCADRL COc1cc(C(=O)N[C@@H](C(=O)[O-])C2CC2)cc([N-]S(C)(=O)=O)c1OC ZINC000831871161 601630873 /nfs/dbraw/zinc/63/08/73/601630873.db2.gz BVMNJFRHTLDRAW-GFCCVEGCSA-N -2 0 372.399 0.668 20 0 FCADRL COc1cc(C(=O)NCC(C)(C)C(=O)[O-])cc([N-]S(C)(=O)=O)c1OC ZINC000831871229 601705659 /nfs/dbraw/zinc/70/56/59/601705659.db2.gz HDGMCDYLJDJDHB-UHFFFAOYSA-N -2 0 374.415 0.916 20 0 FCADRL CCOC(=O)c1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cn1C ZINC000829878305 601783327 /nfs/dbraw/zinc/78/33/27/601783327.db2.gz SJDADKODVYSWBK-UHFFFAOYSA-N -2 0 356.360 0.284 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1C(=O)[O-] ZINC000833053011 601785306 /nfs/dbraw/zinc/78/53/06/601785306.db2.gz MREPXELQZZGIQQ-UHFFFAOYSA-N -2 0 359.385 0.172 20 0 FCADRL CNC(=O)COc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000830991664 601841086 /nfs/dbraw/zinc/84/10/86/601841086.db2.gz JUMXNXBFFFGQQO-UHFFFAOYSA-N -2 0 371.396 0.767 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cn1 ZINC000831000351 601859696 /nfs/dbraw/zinc/85/96/96/601859696.db2.gz DLXILSSTKQFWOD-UHFFFAOYSA-N -2 0 356.335 0.267 20 0 FCADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000833335063 601963672 /nfs/dbraw/zinc/96/36/72/601963672.db2.gz WCSHSLVITZONMM-UHFFFAOYSA-N -2 0 368.392 0.910 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2nnc(CC(F)(F)F)s2)cn1 ZINC000833273927 602159749 /nfs/dbraw/zinc/15/97/49/602159749.db2.gz LEENSBSACOECFU-UHFFFAOYSA-N -2 0 371.322 0.725 20 0 FCADRL CC(C)c1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cn1 ZINC000827118523 604664846 /nfs/dbraw/zinc/66/48/46/604664846.db2.gz VUBWFZANFSDVRE-UHFFFAOYSA-N -2 0 355.416 0.976 20 0 FCADRL CCCN(C)S(=O)(=O)[N-]C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC000829459185 604668022 /nfs/dbraw/zinc/66/80/22/604668022.db2.gz VAJPWCCWNCORNH-UHFFFAOYSA-N -2 0 359.404 0.469 20 0 FCADRL O=C([O-])[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000833355605 604709593 /nfs/dbraw/zinc/70/95/93/604709593.db2.gz NSXGDHPGBRVMJN-AWEZNQCLSA-N -2 0 364.789 0.486 20 0 FCADRL O=C([O-])[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000833101324 604733824 /nfs/dbraw/zinc/73/38/24/604733824.db2.gz PROAHMKJAVTIKU-VXGBXAGGSA-N -2 0 355.368 0.287 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]C(=O)c2cccc(OCC(=O)[O-])c2)nc1C ZINC000833682380 604740105 /nfs/dbraw/zinc/74/01/05/604740105.db2.gz VTVDUPLAAGIUJF-UHFFFAOYSA-N -2 0 367.383 0.794 20 0 FCADRL CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000828557773 604816501 /nfs/dbraw/zinc/81/65/01/604816501.db2.gz MNEKIDZXQFQXHT-NSHDSACASA-N -2 0 354.384 0.448 20 0 FCADRL CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000828556063 604816853 /nfs/dbraw/zinc/81/68/53/604816853.db2.gz ACXJPDKIKYDTHB-CYBMUJFWSA-N -2 0 368.411 0.589 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)CNC(=O)c1ccccc1 ZINC000833109713 604879703 /nfs/dbraw/zinc/87/97/03/604879703.db2.gz QMYSYFIGERICKG-UHFFFAOYSA-N -2 0 368.392 0.681 20 0 FCADRL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cncc(C(=O)[O-])c1 ZINC000832725041 604890195 /nfs/dbraw/zinc/89/01/95/604890195.db2.gz CLQOHYHUUMIWQE-UHFFFAOYSA-N -2 0 356.381 0.984 20 0 FCADRL O=C([O-])[C@@H](O)C1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CC1 ZINC000833770906 604979499 /nfs/dbraw/zinc/97/94/99/604979499.db2.gz QTTCSWFPZLEZGJ-AWEZNQCLSA-N -2 0 353.400 0.166 20 0 FCADRL CC(C)Cn1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cn1 ZINC000833495076 605086435 /nfs/dbraw/zinc/08/64/35/605086435.db2.gz XCJZMDHFVVJQHI-UHFFFAOYSA-N -2 0 358.420 0.310 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2nc(OC)n[nH]2)c1 ZINC000833714924 605266775 /nfs/dbraw/zinc/26/67/75/605266775.db2.gz LDDSKJKCBNUJGO-UHFFFAOYSA-N -2 0 356.316 0.099 20 0 FCADRL CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000833392941 605401888 /nfs/dbraw/zinc/40/18/88/605401888.db2.gz YYWVJYHOQUPUSL-CQSZACIVSA-N -2 0 368.411 0.271 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)C1(Cl)CC1 ZINC000893235379 664218005 /nfs/dbraw/zinc/21/80/05/664218005.db2.gz UCDVGUCOZKMMFU-LURJTMIESA-N -2 0 350.746 0.864 20 0 FCADRL CC(C)C(=O)N[N-]S(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000032082846 666548697 /nfs/dbraw/zinc/54/86/97/666548697.db2.gz IDOYQQHRJCXNMK-JTQLQIEISA-N -2 0 369.399 0.090 20 0 FCADRL COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C)C(=O)[O-] ZINC000731049692 666803935 /nfs/dbraw/zinc/80/39/35/666803935.db2.gz KPECCQCBPSTDET-JTQLQIEISA-N -2 0 359.356 0.296 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732091312 666856278 /nfs/dbraw/zinc/85/62/78/666856278.db2.gz YUYHFKZTWRVRCF-LBPRGKRZSA-N -2 0 366.403 0.175 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000759627679 667814482 /nfs/dbraw/zinc/81/44/82/667814482.db2.gz SSIIOBNUHLDVGS-UHFFFAOYSA-N -2 0 373.740 0.997 20 0 FCADRL CON(C)C(=O)c1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1 ZINC000738073420 667902222 /nfs/dbraw/zinc/90/22/22/667902222.db2.gz XPQQGLGTKOKTEJ-UHFFFAOYSA-N -2 0 354.344 0.542 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)cc(C(=O)[O-])c1F ZINC000763287912 667948747 /nfs/dbraw/zinc/94/87/47/667948747.db2.gz RWBQXIYRPUFYQQ-UHFFFAOYSA-N -2 0 370.362 0.705 20 0 FCADRL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c1 ZINC000774621934 668162713 /nfs/dbraw/zinc/16/27/13/668162713.db2.gz OMFIHDRJSVJNDU-UHFFFAOYSA-N -2 0 357.319 0.845 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)n1 ZINC000776425549 668260785 /nfs/dbraw/zinc/26/07/85/668260785.db2.gz BJRXMAREKYCGFS-UHFFFAOYSA-N -3 0 355.328 0.626 20 0 FCADRL Cc1cc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cnc1Cl ZINC000776584418 668274398 /nfs/dbraw/zinc/27/43/98/668274398.db2.gz MFFWXAWCKYVDDS-GFCCVEGCSA-N -2 0 350.780 0.887 20 0 FCADRL COc1cc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cnc1Cl ZINC000776584505 668274458 /nfs/dbraw/zinc/27/44/58/668274458.db2.gz JBMPVIMZSURVTB-LBPRGKRZSA-N -2 0 366.779 0.588 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1)C(=O)[O-] ZINC000776636172 668281342 /nfs/dbraw/zinc/28/13/42/668281342.db2.gz UOEYNJRYTISALI-ZETCQYMHSA-N -2 0 373.774 0.737 20 0 FCADRL CC(C)N(C)S(=O)(=O)N[C@@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000794917472 669001619 /nfs/dbraw/zinc/00/16/19/669001619.db2.gz XJQMGOMNOWRYPG-ZDUSSCGKSA-N -2 0 358.416 0.484 20 0 FCADRL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)c1 ZINC000798246550 669219531 /nfs/dbraw/zinc/21/95/31/669219531.db2.gz NJUKDVNPHAICKN-UHFFFAOYSA-N -2 0 357.319 0.845 20 0 FCADRL O=C([N-]OCC(F)(F)F)[C@H]1CC[C@@H](C(=O)[N-]OCC(F)(F)F)O1 ZINC000830443892 669784436 /nfs/dbraw/zinc/78/44/36/669784436.db2.gz SGHOGAGTJCUPBK-OLQVQODUSA-N -2 0 354.203 0.754 20 0 FCADRL CC(C)OCCO[N-]C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000812802943 669816113 /nfs/dbraw/zinc/81/61/13/669816113.db2.gz MBEPZAFRZRUAEB-UHFFFAOYSA-N -2 0 352.359 0.716 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000816009702 669934637 /nfs/dbraw/zinc/93/46/37/669934637.db2.gz JWOJBZLVKJWSMZ-BDAKNGLRSA-N -2 0 360.354 0.315 20 0 FCADRL CO[C@@H]1COCC[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000840889009 670523511 /nfs/dbraw/zinc/52/35/11/670523511.db2.gz DLNMAMRJBNJTGH-GZMMTYOYSA-N -2 0 365.354 0.993 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc(O)cc1 ZINC000844206067 670909311 /nfs/dbraw/zinc/90/93/11/670909311.db2.gz VHJPULKBRSDHMH-VIFPVBQESA-N -2 0 372.380 0.740 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1cc2c(cc1Cl)CCC2=O)C(=O)[O-] ZINC000844782796 670942383 /nfs/dbraw/zinc/94/23/83/670942383.db2.gz HTKRQZNNYIIVJF-SECBINFHSA-N -2 0 361.759 0.675 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C[C@H]1C(=O)[O-] ZINC000844793036 670944300 /nfs/dbraw/zinc/94/43/00/670944300.db2.gz REURRCLGTPVWRX-JGVFFNPUSA-N -2 0 366.754 0.670 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cscn1 ZINC000851700866 671460527 /nfs/dbraw/zinc/46/05/27/671460527.db2.gz DIKLCRTZCUXCOQ-HTRCEHHLSA-N -2 0 351.306 0.879 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc[n+]([O-])c1 ZINC000851701638 671460748 /nfs/dbraw/zinc/46/07/48/671460748.db2.gz XEAUJGZYAPLGED-ZJUUUORDSA-N -2 0 361.276 0.056 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc[n+]([O-])c1 ZINC000851701634 671460827 /nfs/dbraw/zinc/46/08/27/671460827.db2.gz XEAUJGZYAPLGED-UWVGGRQHSA-N -2 0 361.276 0.056 20 0 FCADRL CCn1cc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])cn1 ZINC000851702814 671461341 /nfs/dbraw/zinc/46/13/41/671461341.db2.gz MXTHGHBICLNIHP-ZJUUUORDSA-N -2 0 362.308 0.639 20 0 FCADRL Cc1cc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])n(C)n1 ZINC000851703943 671462108 /nfs/dbraw/zinc/46/21/08/671462108.db2.gz RLQMWDAMOIGIQY-SCZZXKLOSA-N -2 0 362.308 0.465 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2noc3ccccc32)O1 ZINC000863952640 672163945 /nfs/dbraw/zinc/16/39/45/672163945.db2.gz AZVQUKZNSHNMKT-NEPJUHHUSA-N -2 0 354.340 0.406 20 0 FCADRL Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])c1 ZINC000863953036 672164156 /nfs/dbraw/zinc/16/41/56/672164156.db2.gz IZDTZRTVPCJCBE-UHFFFAOYSA-N -2 0 367.387 0.327 20 0 FCADRL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@]2(C(=O)[O-])CC2(C)C)c1 ZINC000863955629 672165744 /nfs/dbraw/zinc/16/57/44/672165744.db2.gz SDVMOYNPCIQHAE-MRXNPFEDSA-N -2 0 368.411 0.694 20 0 FCADRL CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C)s1 ZINC000863957881 672166842 /nfs/dbraw/zinc/16/68/42/672166842.db2.gz WELCOVYLVWCQAD-LURJTMIESA-N -2 0 364.405 0.048 20 0 FCADRL COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000863959295 672167489 /nfs/dbraw/zinc/16/74/89/672167489.db2.gz ZTYDKZUAYIBMAV-UWVGGRQHSA-N -2 0 373.383 0.407 20 0 FCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)CCC1 ZINC000863960968 672168359 /nfs/dbraw/zinc/16/83/59/672168359.db2.gz GIYHSDZKYZDHTD-UHFFFAOYSA-N -2 0 370.358 0.770 20 0 FCADRL CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)[C@@]2(C(=O)[O-])CC2(C)C)s1 ZINC000863961130 672168578 /nfs/dbraw/zinc/16/85/78/672168578.db2.gz IODAIBHFDVITNQ-GFCCVEGCSA-N -2 0 361.401 0.407 20 0 FCADRL COCCOc1cccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)c1 ZINC000863962271 672169197 /nfs/dbraw/zinc/16/91/97/672169197.db2.gz XAWITFNKRKXJRA-CYBMUJFWSA-N -2 0 359.400 0.874 20 0 FCADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000863963217 672169909 /nfs/dbraw/zinc/16/99/09/672169909.db2.gz OVZQUMFFQJYHGA-UHFFFAOYSA-N -2 0 367.387 0.358 20 0 FCADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1cccc2c1OCCO2 ZINC000863964546 672170501 /nfs/dbraw/zinc/17/05/01/672170501.db2.gz WCAUOGSVFCVSKJ-LBPRGKRZSA-N -2 0 357.384 0.761 20 0 FCADRL CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CCCC2)CC1 ZINC000863966282 672171380 /nfs/dbraw/zinc/17/13/80/672171380.db2.gz VJSQCNRWOAHITD-ZDUSSCGKSA-N -2 0 360.432 0.334 20 0 FCADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000863966062 672171390 /nfs/dbraw/zinc/17/13/90/672171390.db2.gz REMYQGIXZKUEPR-NSHDSACASA-N -2 0 372.424 0.762 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c(=O)[nH][nH]c(=O)c23)cc1 ZINC000327088205 1167923321 /nfs/dbraw/zinc/92/33/21/1167923321.db2.gz IPRXQFHMHYLILC-UHFFFAOYSA-N -2 0 361.335 0.715 20 0 FCADRL Cn1cc(CNC(=O)N[N-]C(=O)c2nn(-c3ccccc3)cc2[O-])cn1 ZINC000054810128 1196463121 /nfs/dbraw/zinc/46/31/21/1196463121.db2.gz FHESPQUKBAZPDA-UHFFFAOYSA-N -2 0 355.358 0.456 20 0 FCADRL O=C([N-]NC(=O)c1cnn2cccnc12)c1nn(-c2ccccc2)cc1[O-] ZINC000045055700 1196480740 /nfs/dbraw/zinc/48/07/40/1196480740.db2.gz ONEGNRFIHBQSFN-UHFFFAOYSA-N -2 0 363.337 0.695 20 0 FCADRL CC(C)NC(=O)CCNC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000045576309 1196495056 /nfs/dbraw/zinc/49/50/56/1196495056.db2.gz BXMJJOSABCNRBX-UHFFFAOYSA-N -2 0 374.401 0.437 20 0 FCADRL C[C@H](Cn1ccnc1)NC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000047028949 1211935046 /nfs/dbraw/zinc/93/50/46/1211935046.db2.gz NHSNLSWRPNLKOZ-GFCCVEGCSA-N -2 0 369.385 0.807 20 0 FCADRL C[C@@H](Cn1ccnc1)NC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000047028948 1211935269 /nfs/dbraw/zinc/93/52/69/1211935269.db2.gz NHSNLSWRPNLKOZ-LBPRGKRZSA-N -2 0 369.385 0.807 20 0 FCADRL Cc1nc(-c2cccc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2)no1 ZINC001223717905 1225729251 /nfs/dbraw/zinc/72/92/51/1225729251.db2.gz LFKCFNXWIZFDKI-WCQYABFASA-N -2 0 364.310 0.625 20 0 FCADRL CCOC(=O)[C@H](OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1ccccc1F ZINC001224157569 1225761696 /nfs/dbraw/zinc/76/16/96/1225761696.db2.gz ZDSPQOKDAOWVLB-JIMOISOXSA-N -2 0 372.301 0.510 20 0 FCADRL COC(=O)c1cc2[nH]ccc2c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001227322686 1225870730 /nfs/dbraw/zinc/87/07/30/1225870730.db2.gz MCPFLFWJZPJDGG-ZANVPECISA-N -2 0 365.294 0.396 20 0 FCADRL COc1ccc2c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(=O)oc2c1 ZINC001227526782 1225878384 /nfs/dbraw/zinc/87/83/84/1225878384.db2.gz IBMRAGJCAPNZMQ-LKFCYVNXSA-N -2 0 366.278 0.243 20 0 FCADRL CCOC(=O)COc1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228348912 1225912967 /nfs/dbraw/zinc/91/29/67/1225912967.db2.gz IOCWQJIWIOKBJR-YMTOWFKASA-N -2 0 370.310 0.070 20 0 FCADRL COc1cccc2c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc(C)nc12 ZINC001229818403 1226035806 /nfs/dbraw/zinc/03/58/06/1226035806.db2.gz NXIIRCFIWWBIJW-TVQRCGJNSA-N -2 0 364.310 0.389 20 0 FCADRL C[C@H](CCCCNC(=O)c1cc(=O)n(C)[n-]1)NC(=O)c1cc(=O)n(C)[n-]1 ZINC001118709089 1221822204 /nfs/dbraw/zinc/82/22/04/1221822204.db2.gz YIVNECRBXGCKJH-SNVBAGLBSA-N -2 0 364.406 0.283 20 0 FCADRL CCOC(=O)/C=C/c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001230414039 1226081987 /nfs/dbraw/zinc/08/19/87/1226081987.db2.gz GUBQMSLGOTYQKV-YYTFBVJBSA-N -2 0 366.322 0.705 20 0 FCADRL COC(=O)c1ccc2occc2c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001231385008 1226105926 /nfs/dbraw/zinc/10/59/26/1226105926.db2.gz OMUUPDOBMWCIQU-BXKDBHETSA-N -2 0 366.278 0.661 20 0 FCADRL COc1ccc(S(=O)(=O)[N-][N-]C(=O)c2n[nH]c3c2CCCC3)cc1 ZINC000023399926 1245291375 /nfs/dbraw/zinc/29/13/75/1245291375.db2.gz CGKHZVDXXGKCKC-UHFFFAOYSA-N -2 0 350.400 0.920 20 0 FCADRL COc1cc(F)c2c(c1)ncnc2OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234874344 1259564537 /nfs/dbraw/zinc/56/45/37/1259564537.db2.gz ZUNIYZLZZBLREP-JVXZTZIISA-N -2 0 368.273 0.219 20 0 FCADRL COC(=O)CCc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1F ZINC001234898360 1259565129 /nfs/dbraw/zinc/56/51/29/1259565129.db2.gz FYWUDYVYZGUEIC-YGRLFVJLSA-N -2 0 372.301 0.373 20 0 FCADRL O=C([O-])[C@@]12COC[C@H]1CN(C(=O)c1nn(-c3ccc(F)cc3)cc1[O-])C2 ZINC001549305661 1267900012 /nfs/dbraw/zinc/90/00/12/1267900012.db2.gz KDFQHTXUJZEVAM-QGHHPUGFSA-N -2 0 361.329 0.890 20 0 FCADRL CN(C(N)=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001578955992 1276502115 /nfs/dbraw/zinc/50/21/15/1276502115.db2.gz RVHQDADEUPUWOX-UHFFFAOYSA-N -2 0 363.359 0.775 20 0 FCADRL COC(=O)[C@@](C)(NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CC1 ZINC001579432350 1277299183 /nfs/dbraw/zinc/29/91/83/1277299183.db2.gz REHOTHNDQNFSMB-HNNXBMFYSA-N -2 0 358.362 0.046 20 0 FCADRL COC(=O)[C@H]1CCCCCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001579443665 1277328829 /nfs/dbraw/zinc/32/88/29/1277328829.db2.gz SDTOLDYHIHHFSD-GFCCVEGCSA-N -2 0 372.389 0.533 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CSC[C@@H]1CCCCO1 ZINC001603188188 1287325174 /nfs/dbraw/zinc/32/51/74/1287325174.db2.gz MTDUKIZORCRGTI-AXFHLTTASA-N -2 0 353.462 0.844 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC001603187956 1287325544 /nfs/dbraw/zinc/32/55/44/1287325544.db2.gz LEPZZYZLDVEYBB-BDAKNGLRSA-N -2 0 374.419 0.062 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCC1CN(C(=O)OC(C)(C)C)C1 ZINC001603201159 1287327996 /nfs/dbraw/zinc/32/79/96/1287327996.db2.gz CYKGIRKOKCRDHR-VIFPVBQESA-N -2 0 364.420 0.553 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H](c1ccccc1F)N1CCOCC1 ZINC001603201828 1287328947 /nfs/dbraw/zinc/32/89/47/1287328947.db2.gz MIWFSUKDEZCUHV-MFKMUULPSA-N -2 0 374.390 0.118 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 ZINC001603203685 1287329184 /nfs/dbraw/zinc/32/91/84/1287329184.db2.gz XCWXLTPNUYVYAD-SECBINFHSA-N -2 0 371.350 0.168 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001603201972 1287329521 /nfs/dbraw/zinc/32/95/21/1287329521.db2.gz QMXUKFJFXNIUHO-NKWVEPMBSA-N -2 0 374.362 0.454 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1cncn1Cc1ccccc1 ZINC001603204607 1287331383 /nfs/dbraw/zinc/33/13/83/1287331383.db2.gz QIYMAJBMUYCKDW-LLVKDONJSA-N -2 0 351.384 0.393 20 0 FCADRL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001603247417 1287338381 /nfs/dbraw/zinc/33/83/81/1287338381.db2.gz NIKXFBHCBNAVSO-UHFFFAOYSA-N -3 0 351.283 0.579 20 0 FCADRL CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC001603274644 1287346130 /nfs/dbraw/zinc/34/61/30/1287346130.db2.gz QSIHBUSDHSYUJU-PWSUYJOCSA-N -2 0 357.384 0.257 20 0 FCADRL CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001603320385 1287354093 /nfs/dbraw/zinc/35/40/93/1287354093.db2.gz DYIFNMSGUALLAK-SECBINFHSA-N -2 0 366.461 0.245 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)C(=O)[O-] ZINC001603660120 1287460463 /nfs/dbraw/zinc/46/04/63/1287460463.db2.gz MWVCFVWFHORGKW-BQBZGAKWSA-N -2 0 374.337 0.000 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)C[C@@H](n1cccn1)C(F)(F)F)C(=O)[O-] ZINC001603660264 1287460775 /nfs/dbraw/zinc/46/07/75/1287460775.db2.gz OYLMOOJDRXSSSS-MRVPVSSYSA-N -2 0 371.337 0.933 20 0 FCADRL CCC(CC)(CO)C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001604019010 1287554486 /nfs/dbraw/zinc/55/44/86/1287554486.db2.gz ATXCMDFMQPPTFH-UHFFFAOYSA-N -2 0 361.362 0.457 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001632650480 1282195480 /nfs/dbraw/zinc/19/54/80/1282195480.db2.gz JEYAVIYDDCRCND-UHFFFAOYSA-N -2 0 364.431 0.981 20 0 FCADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CCO[C@H](c4nnn[n-]4)C3)n2)c1 ZINC001632771659 1282206596 /nfs/dbraw/zinc/20/65/96/1282206596.db2.gz BRRNZMGTPYJQLU-ZDUSSCGKSA-N -2 0 373.348 0.752 20 0 FCADRL C[C@H](CS(=O)(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C)C(=O)[O-] ZINC001604205900 1287590094 /nfs/dbraw/zinc/59/00/94/1287590094.db2.gz AIHBCIUOKLTFRO-IWSPIJDZSA-N -2 0 360.354 0.568 20 0 FCADRL Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001639072742 1282745032 /nfs/dbraw/zinc/74/50/32/1282745032.db2.gz GTHUJKZCQISYAU-UHFFFAOYSA-N -2 0 356.342 0.018 20 0 FCADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC001589418612 1282876266 /nfs/dbraw/zinc/87/62/66/1282876266.db2.gz UODYSFPZHCLHOV-NSHDSACASA-N -2 0 367.387 0.170 20 0 FCADRL C[C@H](CC(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@H]1CCCO1 ZINC001589795946 1283010263 /nfs/dbraw/zinc/01/02/63/1283010263.db2.gz QLGJZWCSWKJHPB-BXKDBHETSA-N -2 0 373.373 0.863 20 0 FCADRL CC[C@H]1C[C@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCO1 ZINC001590503828 1283571834 /nfs/dbraw/zinc/57/18/34/1283571834.db2.gz SCLWYLHPPAYWOZ-KOLCDFICSA-N -2 0 373.373 0.863 20 0 FCADRL COC(=O)C1(NCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCCCC1 ZINC001591247177 1284398220 /nfs/dbraw/zinc/39/82/20/1284398220.db2.gz MZLZDMRXTFCITB-UHFFFAOYSA-N -2 0 372.389 0.581 20 0 FCADRL CO[C@@H](C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CCC1 ZINC001591314915 1284463443 /nfs/dbraw/zinc/46/34/43/1284463443.db2.gz MXMKNNVLECBUCK-GFCCVEGCSA-N -2 0 359.346 0.473 20 0 FCADRL CO[C@H]1CN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)[C@@](C)(C(=O)[O-])C1 ZINC001591362660 1284499412 /nfs/dbraw/zinc/49/94/12/1284499412.db2.gz RKNGLLXPPRIBLO-JMCQJSRRSA-N -2 0 373.416 0.181 20 0 FCADRL Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C ZINC001592109729 1285146821 /nfs/dbraw/zinc/14/68/21/1285146821.db2.gz ZNGNORQAJQXDQV-NSHDSACASA-N -2 0 367.387 0.337 20 0 FCADRL C[C@@H]1CCc2ccccc2N1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001604762869 1287770285 /nfs/dbraw/zinc/77/02/85/1287770285.db2.gz AIYHDUPCYLNHIW-HONMWMINSA-N -2 0 368.411 0.821 20 0 FCADRL O=C(Cn1cc(-c2nnn[n-]2)nn1)C1([N-]C(=O)C(F)(F)F)CCCCC1 ZINC001592954866 1285843386 /nfs/dbraw/zinc/84/33/86/1285843386.db2.gz INQWNBHZLDUBKO-UHFFFAOYSA-N -2 0 372.311 0.409 20 0 FCADRL O=C([O-])[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)c1ccccc1F ZINC001593275011 1286058542 /nfs/dbraw/zinc/05/85/42/1286058542.db2.gz CFEUBTNDJGEURR-LLVKDONJSA-N -2 0 367.318 0.703 20 0 FCADRL O=C(OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@H]1CCCOCC1 ZINC001593295463 1286067002 /nfs/dbraw/zinc/06/70/02/1286067002.db2.gz OOLZNVZUQCAWBX-VIFPVBQESA-N -2 0 359.346 0.475 20 0 FCADRL O=C(OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@@H]1CCCCS1 ZINC001593296027 1286067662 /nfs/dbraw/zinc/06/76/62/1286067662.db2.gz YQRHLQRCWCQKNJ-JTQLQIEISA-N -2 0 361.387 0.944 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC001599996745 1286420430 /nfs/dbraw/zinc/42/04/30/1286420430.db2.gz GRESHZCTZLEMDH-QWRGUYRKSA-N -3 0 371.367 0.489 20 0 FCADRL Cc1c(CC(=O)[N-]S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cnn1C ZINC001600011135 1286424223 /nfs/dbraw/zinc/42/42/23/1286424223.db2.gz MJAKSODGNWFRQO-UHFFFAOYSA-N -2 0 352.372 0.442 20 0 FCADRL Cc1c(NC(=O)c2ccccc2[N-]S(C)(=O)=O)cnn1CC(=O)[O-] ZINC001600047276 1286433301 /nfs/dbraw/zinc/43/33/01/1286433301.db2.gz ZDYGVSBIYJFKPV-UHFFFAOYSA-N -2 0 352.372 0.900 20 0 FCADRL Cc1cc(=O)oc2cc(OCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])ccc12 ZINC001600067063 1286436256 /nfs/dbraw/zinc/43/62/56/1286436256.db2.gz REVAWFPGRSBZRN-SECBINFHSA-N -2 0 369.351 0.399 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])c1C ZINC001600111379 1286442645 /nfs/dbraw/zinc/44/26/45/1286442645.db2.gz CTMBLIWETRNTBE-MFKMUULPSA-N -2 0 357.384 0.864 20 0 FCADRL Cc1cc(COCC(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])on1 ZINC001600215279 1286453342 /nfs/dbraw/zinc/45/33/42/1286453342.db2.gz REODFMUOERRUOX-UHFFFAOYSA-N -2 0 360.369 0.764 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)Cc2nc(C3CC3)nn2C)oc1C(=O)[O-] ZINC001600297279 1286471594 /nfs/dbraw/zinc/47/15/94/1286471594.db2.gz MYBAWWSZZYNJPT-UHFFFAOYSA-N -2 0 368.371 0.340 20 0 FCADRL Cc1ccc(CN2C(=O)CC[C@H]2C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cc1 ZINC001600412002 1286483824 /nfs/dbraw/zinc/48/38/24/1286483824.db2.gz VEARKUFIYUPDHN-ZDUSSCGKSA-N -2 0 368.411 0.407 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C23CC(C(=O)[O-])(C2)C3)cc1C(N)=O ZINC001600478449 1286493755 /nfs/dbraw/zinc/49/37/55/1286493755.db2.gz WFRIDBNOLHGNPU-UHFFFAOYSA-N -2 0 352.368 0.154 20 0 FCADRL Cc1ccc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600478285 1286493927 /nfs/dbraw/zinc/49/39/27/1286493927.db2.gz QHCJWPNZPGOSCQ-MEBBXXQBSA-N -2 0 355.368 0.415 20 0 FCADRL Cc1cccc(S(=O)(=O)N2CC3(CCOCC3)[C@H]2C(=O)[O-])c1C(=O)[O-] ZINC001600547788 1286505356 /nfs/dbraw/zinc/50/53/56/1286505356.db2.gz OMXYSPGVOUZPMY-CYBMUJFWSA-N -2 0 369.395 0.948 20 0 FCADRL Cc1ccccc1-n1ccnc1SCC(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001600565031 1286508327 /nfs/dbraw/zinc/50/83/27/1286508327.db2.gz FFQIIUGKURDIJG-UHFFFAOYSA-N -2 0 369.424 0.803 20 0 FCADRL Cc1cnc(COCC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)o1 ZINC001600622004 1286516369 /nfs/dbraw/zinc/51/63/69/1286516369.db2.gz XUYPQDQLGSSDPP-UHFFFAOYSA-N -2 0 360.369 0.764 20 0 FCADRL Cc1nc(COc2ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc2)no1 ZINC001600702686 1286529409 /nfs/dbraw/zinc/52/94/09/1286529409.db2.gz MDLARJMAPPRDII-QMMMGPOBSA-N -2 0 369.355 0.490 20 0 FCADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1cccc(CC(=O)[O-])c1 ZINC001600770033 1286541051 /nfs/dbraw/zinc/54/10/51/1286541051.db2.gz CPRVUWKKMSGMES-UHFFFAOYSA-N -2 0 351.384 0.783 20 0 FCADRL Cn1cc(C(N)=O)c([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)n1 ZINC001600938841 1286574355 /nfs/dbraw/zinc/57/43/55/1286574355.db2.gz LBFCDLYYJFGHOK-UHFFFAOYSA-N -2 0 360.298 0.296 20 0 FCADRL Cn1cc(C(N)=O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC001600938948 1286575374 /nfs/dbraw/zinc/57/53/74/1286575374.db2.gz MZDSKMUHGZZPAC-UHFFFAOYSA-N -2 0 360.298 0.296 20 0 FCADRL Cn1cc(C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2)C(=O)[O-])cn1 ZINC001600948846 1286578040 /nfs/dbraw/zinc/57/80/40/1286578040.db2.gz WOEKRVKBNWENES-LBPRGKRZSA-N -2 0 353.356 0.093 20 0 FCADRL Cn1nccc1[C@@H](NS(=O)(=O)c1ccc(CC(=O)[O-])s1)C(=O)[O-] ZINC001601035255 1286613413 /nfs/dbraw/zinc/61/34/13/1286613413.db2.gz NSSBVHJZNVFIMC-LLVKDONJSA-N -2 0 359.385 0.213 20 0 FCADRL Cn1nnc2cc(S(=O)(=O)[N-]C(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)ccc21 ZINC001601041429 1286618705 /nfs/dbraw/zinc/61/87/05/1286618705.db2.gz IFOGHUITMMEEOC-MGCOHNPYSA-N -2 0 366.399 0.664 20 0 FCADRL NC(=O)[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001601145392 1286653253 /nfs/dbraw/zinc/65/32/53/1286653253.db2.gz PNUSGSQJJDXGGJ-NWDGAFQWSA-N -2 0 368.411 0.623 20 0 FCADRL NC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001601154662 1286661847 /nfs/dbraw/zinc/66/18/47/1286661847.db2.gz RIPHGFHXKFFXKY-LBPRGKRZSA-N -2 0 369.399 0.122 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC001601199840 1286694488 /nfs/dbraw/zinc/69/44/88/1286694488.db2.gz KDFSKSKXAPRAFL-UHFFFAOYSA-N -2 0 356.400 0.947 20 0 FCADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C(=O)CC2OCCCO2)c1F ZINC001601259742 1286707385 /nfs/dbraw/zinc/70/73/85/1286707385.db2.gz VEJOERCGLJMBQZ-UHFFFAOYSA-N -2 0 365.310 0.621 20 0 FCADRL O=C(CCOC[C@H]1CCCO1)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001601281364 1286712284 /nfs/dbraw/zinc/71/22/84/1286712284.db2.gz PAPZUAYNECPMPJ-CYBMUJFWSA-N -2 0 372.399 0.743 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)COC[C@H]2CCCO2)c1 ZINC001601338298 1286730909 /nfs/dbraw/zinc/73/09/09/1286730909.db2.gz LNIQKNYUFHISHG-CYBMUJFWSA-N -2 0 357.384 0.526 20 0 FCADRL O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001601378869 1286736835 /nfs/dbraw/zinc/73/68/35/1286736835.db2.gz LVULPIJFIRNMGI-CQSZACIVSA-N -2 0 370.365 0.902 20 0 FCADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)nn1 ZINC001601436107 1286747943 /nfs/dbraw/zinc/74/79/43/1286747943.db2.gz UYCKEBVDGDLEHD-UHFFFAOYSA-N -2 0 362.367 0.868 20 0 FCADRL O=C([O-])[C@H](CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C1CCC1 ZINC001601450967 1286754409 /nfs/dbraw/zinc/75/44/09/1286754409.db2.gz ZQLUDELXTTXFAM-FRRDWIJNSA-N -2 0 352.387 0.173 20 0 FCADRL O=C([O-])c1sccc1NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001601472945 1286757787 /nfs/dbraw/zinc/75/77/87/1286757787.db2.gz YCZMLYAGQPVDNU-UHFFFAOYSA-N -2 0 356.356 0.382 20 0 FCADRL O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001601657559 1286801843 /nfs/dbraw/zinc/80/18/43/1286801843.db2.gz OIKDGEKLDLVOIU-LLVKDONJSA-N -2 0 359.404 0.360 20 0 FCADRL O=C([O-])[C@H](Cc1ccc(F)cc1)NS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001601661236 1286802220 /nfs/dbraw/zinc/80/22/20/1286802220.db2.gz QYHDCBDNYGKAPP-LBPRGKRZSA-N -2 0 359.375 0.996 20 0 FCADRL O=C([O-])[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCCC1)[C@@H](O)c1ccccc1 ZINC001601678047 1286804472 /nfs/dbraw/zinc/80/44/72/1286804472.db2.gz ZZHUXXSNSIHYNL-STQMWFEESA-N -2 0 371.411 0.738 20 0 FCADRL O=C([O-])[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCCC1)[C@H](O)c1ccccc1 ZINC001601678046 1286804767 /nfs/dbraw/zinc/80/47/67/1286804767.db2.gz ZZHUXXSNSIHYNL-QWHCGFSZSA-N -2 0 371.411 0.738 20 0 FCADRL O=C([O-])[C@H](NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1)[C@H]1CCOC1 ZINC001601679609 1286805315 /nfs/dbraw/zinc/80/53/15/1286805315.db2.gz SMFBZIHSZJOIEA-GXFFZTMASA-N -2 0 369.395 0.571 20 0 FCADRL O=C([O-])[C@@H](NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1)[C@@H]1CCOC1 ZINC001601679610 1286805518 /nfs/dbraw/zinc/80/55/18/1286805518.db2.gz SMFBZIHSZJOIEA-MFKMUULPSA-N -2 0 369.395 0.571 20 0 FCADRL O=C([O-])[C@H](NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1)[C@@H]1CCOC1 ZINC001601679611 1286805625 /nfs/dbraw/zinc/80/56/25/1286805625.db2.gz SMFBZIHSZJOIEA-ZWNOBZJWSA-N -2 0 369.395 0.571 20 0 FCADRL O=C([O-])[C@@H]1[C@@H]([C@@H]2CCCO2)CCN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001601749990 1286821177 /nfs/dbraw/zinc/82/11/77/1286821177.db2.gz MIXNFKALMKGXPD-WOPDTQHZSA-N -2 0 361.416 0.525 20 0 FCADRL O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)C1 ZINC001601761920 1286826687 /nfs/dbraw/zinc/82/66/87/1286826687.db2.gz ATNJOSMZRPUSLW-SFYZADRCSA-N -2 0 364.276 0.366 20 0 FCADRL O=C([O-])C[C@@H](NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)c1ccncc1 ZINC001601904181 1286866571 /nfs/dbraw/zinc/86/65/71/1286866571.db2.gz ACCBEXCRPQZVGP-CYBMUJFWSA-N -2 0 369.337 0.607 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)N[C@@H](Cn2cc(Cl)cn2)C(=O)[O-])CC1 ZINC001601921770 1286872415 /nfs/dbraw/zinc/87/24/15/1286872415.db2.gz KSIZZPLTSQUGTF-VIFPVBQESA-N -2 0 365.795 0.164 20 0 FCADRL O=C([O-])C[C@]1(NCC2=Nc3ccccc3S(=O)(=O)[N-]2)CCCOC1 ZINC001601934121 1286876274 /nfs/dbraw/zinc/87/62/74/1286876274.db2.gz DZSQPMPIUAVFOJ-OAHLLOKOSA-N -2 0 353.400 0.622 20 0 FCADRL O=C([O-])CCC1CCN(C(=O)C(=O)N2CCC(CC(=O)[O-])CC2)CC1 ZINC001601976941 1286891742 /nfs/dbraw/zinc/89/17/42/1286891742.db2.gz RNTWETAICZDVCP-UHFFFAOYSA-N -2 0 354.403 0.803 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC001602028603 1286908614 /nfs/dbraw/zinc/90/86/14/1286908614.db2.gz WOENWNMJOVYVOP-NSHDSACASA-N -2 0 374.440 0.202 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001602027608 1286908945 /nfs/dbraw/zinc/90/89/45/1286908945.db2.gz GYFHSPAJWAUDJP-CYBMUJFWSA-N -2 0 368.411 0.460 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)c1sc(N2CCCC2)nc1Cl ZINC001602028592 1286909033 /nfs/dbraw/zinc/90/90/33/1286909033.db2.gz VYAXAOUSFYVULU-UHFFFAOYSA-N -2 0 367.836 0.931 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1F ZINC001602131558 1286944702 /nfs/dbraw/zinc/94/47/02/1286944702.db2.gz AUCGLMXBKQBYFF-JTQLQIEISA-N -2 0 361.347 0.317 20 0 FCADRL O=C([O-])Cc1cccc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@]3(CCOC3)C2)c1 ZINC001602141315 1286946834 /nfs/dbraw/zinc/94/68/34/1286946834.db2.gz DDANOLMZNVATSF-CJNGLKHVSA-N -2 0 369.395 0.426 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccc3c2OCC(=O)N3)cn1 ZINC001602164913 1286955838 /nfs/dbraw/zinc/95/58/38/1286955838.db2.gz PRRLLCIBTKQBQQ-UHFFFAOYSA-N -2 0 352.328 0.099 20 0 FCADRL O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC001602203588 1286968013 /nfs/dbraw/zinc/96/80/13/1286968013.db2.gz OKKMVYJQBUHYPW-VHSXEESVSA-N -2 0 373.778 0.041 20 0 FCADRL O=C([O-])[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CC1 ZINC001602213304 1286969863 /nfs/dbraw/zinc/96/98/63/1286969863.db2.gz OHXNWUDBNGCLHZ-IJLUTSLNSA-N -2 0 371.415 0.540 20 0 FCADRL O=C([O-])[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)CC1 ZINC001602213305 1286969928 /nfs/dbraw/zinc/96/99/28/1286969928.db2.gz OHXNWUDBNGCLHZ-SRVKXCTJSA-N -2 0 371.415 0.540 20 0 FCADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)NCc2nc(=O)o[n-]2)c1F ZINC001602264896 1286976917 /nfs/dbraw/zinc/97/69/17/1286976917.db2.gz YNNHNNZDUULLHB-UHFFFAOYSA-N -2 0 351.699 0.332 20 0 FCADRL O=C([O-])c1cc(F)cc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)[O-])c1 ZINC001602273209 1286979182 /nfs/dbraw/zinc/97/91/82/1286979182.db2.gz QFVCYAKFMDIEAM-UFBFGSQYSA-N -2 0 361.347 0.682 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)c[nH]1 ZINC001602288550 1286980795 /nfs/dbraw/zinc/98/07/95/1286980795.db2.gz CPNLUTFAUGKQPP-LBPRGKRZSA-N -2 0 352.324 0.754 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)on1 ZINC001602292683 1286983759 /nfs/dbraw/zinc/98/37/59/1286983759.db2.gz CHNPCGUMCXUKSD-JQWIXIFHSA-N -2 0 360.388 0.361 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCN(C(=O)c3ccccc3)C2)on1 ZINC001602294252 1286984429 /nfs/dbraw/zinc/98/44/29/1286984429.db2.gz WMSLTYVFMFTYON-LLVKDONJSA-N -2 0 365.367 0.566 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CCNC(=O)c2ccccc2Cl)on1 ZINC001602296179 1286987003 /nfs/dbraw/zinc/98/70/03/1286987003.db2.gz UVWBZGLQMHNNPP-UHFFFAOYSA-N -2 0 373.774 0.735 20 0 FCADRL O=C([O-])c1noc2c1CN(S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)CC2 ZINC001602353584 1286990780 /nfs/dbraw/zinc/99/07/80/1286990780.db2.gz BWGYXAUPCXNEIW-UHFFFAOYSA-N -2 0 366.351 0.959 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)s1 ZINC001602393211 1286993317 /nfs/dbraw/zinc/99/33/17/1286993317.db2.gz PQLMKVIWBBIUHW-NKWVEPMBSA-N -3 0 363.369 0.242 20 0 FCADRL O=C([O-])c1cccc(NC2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)c1 ZINC001602445266 1287002743 /nfs/dbraw/zinc/00/27/43/1287002743.db2.gz YPAYVXXHGFRJBT-UHFFFAOYSA-N -2 0 361.358 0.491 20 0 FCADRL O=C([O-])c1ccnc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC001602484775 1287009573 /nfs/dbraw/zinc/00/95/73/1287009573.db2.gz KHCRLURUHZYLTP-VIFPVBQESA-N -2 0 353.360 0.172 20 0 FCADRL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CC(F)(F)C1(O)CCCCC1 ZINC001602506534 1287017755 /nfs/dbraw/zinc/01/77/55/1287017755.db2.gz BNJNLGRHXIDHLF-UHFFFAOYSA-N -2 0 353.347 0.717 20 0 FCADRL O=C([O-])c1csc(S(=O)(=O)N2CCc3onc(C(=O)[O-])c3C2)c1 ZINC001602563180 1287025956 /nfs/dbraw/zinc/02/59/56/1287025956.db2.gz PNBVMNQHYGAOPC-UHFFFAOYSA-N -2 0 358.353 0.880 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1ncnn1-c1ccccc1 ZINC001602585643 1287031642 /nfs/dbraw/zinc/03/16/42/1287031642.db2.gz VDARLXQYGPCSQV-UHFFFAOYSA-N -2 0 351.369 0.645 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccccc1 ZINC001602598364 1287034199 /nfs/dbraw/zinc/03/41/99/1287034199.db2.gz BJXFOBNTICVCAV-MNOVXSKESA-N -2 0 371.392 0.911 20 0 FCADRL O=C([O-])C(F)=C(Nc1ccc2cn[nH]c2c1)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001602656007 1287051569 /nfs/dbraw/zinc/05/15/69/1287051569.db2.gz JQBAYPWGQZLMCM-VIFPVBQESA-N -2 0 363.330 0.183 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])C1=O ZINC001605135338 1287892185 /nfs/dbraw/zinc/89/21/85/1287892185.db2.gz LZIPDCKDSJQOJQ-LBPRGKRZSA-N -2 0 361.401 0.669 20 0 FCADRL CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001605199095 1287909133 /nfs/dbraw/zinc/90/91/33/1287909133.db2.gz VPPSCXSLFKFAPE-CYBMUJFWSA-N -2 0 352.409 0.601 20 0 FCADRL CSc1[nH]c(=O)c(C(=O)[N-]OC[C@@H]2CCOC2)cc1-c1nnn[n-]1 ZINC001605380200 1287946707 /nfs/dbraw/zinc/94/67/07/1287946707.db2.gz DKXACBBZLQMEHA-SSDOTTSWSA-N -2 0 352.376 0.387 20 0 FCADRL CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001605422120 1287953612 /nfs/dbraw/zinc/95/36/12/1287953612.db2.gz DWULUOZBVBADGN-UHFFFAOYSA-N -2 0 371.415 0.806 20 0 FCADRL CCOC[C@H](NS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-])C(=O)[O-] ZINC001605642367 1288042793 /nfs/dbraw/zinc/04/27/93/1288042793.db2.gz OEXJRFHEWKYMGM-NSHDSACASA-N -2 0 368.367 0.701 20 0 FCADRL CCOC[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)[O-] ZINC001605640910 1288043581 /nfs/dbraw/zinc/04/35/81/1288043581.db2.gz OPZIZELNRSGRJA-SSDOTTSWSA-N -2 0 353.299 0.431 20 0 FCADRL CN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001605987075 1288121259 /nfs/dbraw/zinc/12/12/59/1288121259.db2.gz XIKQEVXECOPTTA-NSHDSACASA-N -2 0 362.342 0.530 20 0 FCADRL CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)nc1 ZINC001606007784 1288127795 /nfs/dbraw/zinc/12/77/95/1288127795.db2.gz XAIJBGRXXQKKOF-UHFFFAOYSA-N -2 0 352.372 0.621 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-])c1ccnn1C ZINC001606343018 1288264319 /nfs/dbraw/zinc/26/43/19/1288264319.db2.gz QWYBBUCDKVEGAC-GFCCVEGCSA-N -2 0 371.346 0.450 20 0 FCADRL Cn1c2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)o3)ccc2oc1=O ZINC001609475410 1289168860 /nfs/dbraw/zinc/16/88/60/1289168860.db2.gz DKRYMPSXCPDOBP-UHFFFAOYSA-N -2 0 362.327 0.705 20 0 FCADRL COC(=O)c1cnc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cn1 ZINC001606628927 1288415537 /nfs/dbraw/zinc/41/55/37/1288415537.db2.gz ZYSJKPUQBLRUJX-UHFFFAOYSA-N -2 0 355.303 0.901 20 0 FCADRL COC(=O)c1oc(S(=O)(=O)[N-]C[C@H]2[C@@H](C(=O)[O-])C2(F)F)cc1C ZINC001606636400 1288419034 /nfs/dbraw/zinc/41/90/34/1288419034.db2.gz KYQHHMKDVMSSCY-XPUUQOCRSA-N -2 0 353.299 0.619 20 0 FCADRL CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001606652924 1288424215 /nfs/dbraw/zinc/42/42/15/1288424215.db2.gz OVOORSQKSWYERL-APPDUMDISA-N -2 0 350.371 0.912 20 0 FCADRL CO[C@@H](C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(=O)[O-])C1CC1 ZINC001606667847 1288429663 /nfs/dbraw/zinc/42/96/63/1288429663.db2.gz CPPGZUABSYSAFP-QWRGUYRKSA-N -2 0 361.372 0.833 20 0 FCADRL COC1(C(=O)[O-])CCN(S(=O)(=O)CC2(C(=O)[O-])CCCCC2)CC1 ZINC001606706391 1288459933 /nfs/dbraw/zinc/45/99/33/1288459933.db2.gz NZJLXWOHAQQWHR-UHFFFAOYSA-N -2 0 363.432 0.917 20 0 FCADRL CO[C@@H]1CN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)[C@@](C)(C(=O)[O-])C1 ZINC001606773684 1288506906 /nfs/dbraw/zinc/50/69/06/1288506906.db2.gz ZGIZBYBHQDDDRO-ZUZCIYMTSA-N -2 0 353.400 0.573 20 0 FCADRL COCC1(S(=O)(=O)[N-]C(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)[O-])CC1 ZINC001606842310 1288536131 /nfs/dbraw/zinc/53/61/31/1288536131.db2.gz FUSOUKBMFXDRMB-UHFFFAOYSA-N -2 0 372.399 0.391 20 0 FCADRL COCCn1cc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])c(C)n1 ZINC001606931276 1288568770 /nfs/dbraw/zinc/56/87/70/1288568770.db2.gz QUWPIMZTAOTLSO-UHFFFAOYSA-N -2 0 374.400 0.111 20 0 FCADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC001606942974 1288571001 /nfs/dbraw/zinc/57/10/01/1288571001.db2.gz XISMVLNYONCXGP-LBPRGKRZSA-N -2 0 359.356 0.005 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccsc1-c1nnn[n-]1)C(F)F ZINC001606959565 1288575520 /nfs/dbraw/zinc/57/55/20/1288575520.db2.gz ASJXYUOGQAFGBB-YFKPBYRVSA-N -2 0 367.359 0.563 20 0 FCADRL O=c1cc(CN(CCO)Cc2cccnc2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001607105392 1288665048 /nfs/dbraw/zinc/66/50/48/1288665048.db2.gz CSRBGFRYRMNYQK-UHFFFAOYSA-N -2 0 367.373 0.005 20 0 FCADRL COc1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)ccc1C(=O)[O-] ZINC001607190365 1288682104 /nfs/dbraw/zinc/68/21/04/1288682104.db2.gz ITJBUSMYZIKNLJ-PELKAZGASA-N -2 0 359.356 0.161 20 0 FCADRL COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC001607207173 1288684890 /nfs/dbraw/zinc/68/48/90/1288684890.db2.gz KLWVSOSSRWPCLK-ONGXEEELSA-N -2 0 364.354 0.901 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001607376384 1288702151 /nfs/dbraw/zinc/70/21/51/1288702151.db2.gz DDKDPEPTOOMGKJ-SKDRFNHKSA-N -2 0 374.390 0.664 20 0 FCADRL C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001607451677 1288710824 /nfs/dbraw/zinc/71/08/24/1288710824.db2.gz HKAIYIPMPIVHGZ-LLVKDONJSA-N -2 0 355.354 0.573 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)c(C(=O)[O-])c1 ZINC001607817530 1288739711 /nfs/dbraw/zinc/73/97/11/1288739711.db2.gz ZELBWGGFWQRHPZ-MFKMUULPSA-N -2 0 357.384 0.539 20 0 FCADRL Cc1nc(CN([C@@H](C)C(=O)[O-])S(=O)(=O)CCCC(=O)[O-])cs1 ZINC001607957606 1288751450 /nfs/dbraw/zinc/75/14/50/1288751450.db2.gz YVJCTWVOAPYBGG-QMMMGPOBSA-N -2 0 350.418 0.921 20 0 FCADRL Cn1cc(C[C@H](NS(=O)(=O)c2csc(C(=O)[O-])c2)C(=O)[O-])cn1 ZINC001608111102 1288770516 /nfs/dbraw/zinc/77/05/16/1288770516.db2.gz SRWMCOURAMWSKC-VIFPVBQESA-N -2 0 359.385 0.154 20 0 FCADRL Cn1cc(C[C@@H](NS(=O)(=O)c2ccsc2C(=O)[O-])C(=O)[O-])cn1 ZINC001608110312 1288770746 /nfs/dbraw/zinc/77/07/46/1288770746.db2.gz IQBKMHZDOLVNKQ-MRVPVSSYSA-N -2 0 359.385 0.154 20 0 FCADRL Cn1cc(C[C@@H]2CCC[C@H]2[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cn1 ZINC001608109298 1288770873 /nfs/dbraw/zinc/77/08/73/1288770873.db2.gz AMOALBHGLPVMRO-WDEREUQCSA-N -2 0 354.388 0.796 20 0 FCADRL Cn1cc(CS(=O)(=O)[N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)cn1 ZINC001608114411 1288771874 /nfs/dbraw/zinc/77/18/74/1288771874.db2.gz XGZVZNKJYYYEEI-UHFFFAOYSA-N -2 0 355.416 0.791 20 0 FCADRL Cn1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)CC(C)(C)C)cc1C(=O)[O-] ZINC001608121813 1288774832 /nfs/dbraw/zinc/77/48/32/1288774832.db2.gz FGJRUTBAVHGXEA-MNOVXSKESA-N -2 0 362.404 0.252 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cc2F)cc1C(N)=O ZINC001608122128 1288775037 /nfs/dbraw/zinc/77/50/37/1288775037.db2.gz XMMXIBVSUJBRMM-UHFFFAOYSA-N -2 0 369.330 0.080 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CC(=O)Nc2ccc(Cl)cc2)on1 ZINC001608343541 1288826504 /nfs/dbraw/zinc/82/65/04/1288826504.db2.gz YREDYIIHTRHKKQ-UHFFFAOYSA-N -2 0 359.747 0.943 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)COCc2cccnc2)c1 ZINC001608348666 1288828632 /nfs/dbraw/zinc/82/86/32/1288828632.db2.gz YRQUOHMSXVNQPU-UHFFFAOYSA-N -2 0 350.352 0.802 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)Cc2ccc3c(c2)COC3)CC1 ZINC001608364117 1288830510 /nfs/dbraw/zinc/83/05/10/1288830510.db2.gz YMTKNUGDNULHSV-UHFFFAOYSA-N -2 0 368.411 0.417 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)c2ccn(C(F)F)n2)CC1 ZINC001608484873 1288849212 /nfs/dbraw/zinc/84/92/12/1288849212.db2.gz MWIRUBPUIGZDCQ-UHFFFAOYSA-N -2 0 352.319 0.049 20 0 FCADRL O=C([O-])CCCO[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC001608715698 1288868177 /nfs/dbraw/zinc/86/81/77/1288868177.db2.gz AXWASMUPYOKSHM-LBPRGKRZSA-N -2 0 364.354 0.933 20 0 FCADRL O=C([O-])CCN(C1CCOCC1)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001608720727 1288869209 /nfs/dbraw/zinc/86/92/09/1288869209.db2.gz BAGPIUOHLNXSOS-UHFFFAOYSA-N -2 0 358.372 0.424 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](C2CC2)C2(CO)CCOCC2)on1 ZINC001608860187 1288876141 /nfs/dbraw/zinc/87/61/41/1288876141.db2.gz ZGBOXKKEUUWHHG-GFCCVEGCSA-N -2 0 360.388 0.219 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)NC[C@@H](F)C(=O)[O-])c(Br)o1 ZINC001608861503 1288877318 /nfs/dbraw/zinc/87/73/18/1288877318.db2.gz VBFVTJCMXPAAPS-GSVOUGTGSA-N -2 0 360.113 0.441 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCN(c3cccnc3)C2=O)on1 ZINC001608860730 1288877904 /nfs/dbraw/zinc/87/79/04/1288877904.db2.gz YEALGJGMQVKCAQ-JTQLQIEISA-N -2 0 366.355 0.242 20 0 FCADRL O=C([O-])c1cn(C2CCN(C(=O)NCC3(C(=O)[O-])CCC3)CC2)nn1 ZINC001608959888 1288880694 /nfs/dbraw/zinc/88/06/94/1288880694.db2.gz OKYRIHWPPFIWTI-UHFFFAOYSA-N -2 0 351.363 0.578 20 0 FCADRL CC(C)(C)CC[C@@H](NS(=O)(=O)c1cccnc1-c1nnn[n-]1)C(=O)[O-] ZINC001609075464 1288905875 /nfs/dbraw/zinc/90/58/75/1288905875.db2.gz OIVPFOGCIGUZNB-SECBINFHSA-N -2 0 368.419 0.820 20 0 FCADRL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001609110805 1288925211 /nfs/dbraw/zinc/92/52/11/1288925211.db2.gz VNWHAUZLWKBLTL-ZCFIWIBFSA-N -2 0 361.330 0.677 20 0 FCADRL C[C@@](O)(C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CCC1 ZINC001609127013 1288933589 /nfs/dbraw/zinc/93/35/89/1288933589.db2.gz RNIMWTNTKLJGSD-HNNXBMFYSA-N -2 0 359.346 0.209 20 0 FCADRL CCCSC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)[O-] ZINC001609217521 1288993004 /nfs/dbraw/zinc/99/30/04/1288993004.db2.gz YGMYDLIYWYGYJQ-SSDOTTSWSA-N -2 0 361.405 0.334 20 0 FCADRL CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cnc(C(=O)[O-])cn3)ccc21 ZINC001609610361 1289263585 /nfs/dbraw/zinc/26/35/85/1289263585.db2.gz IIRHTKYZZUDIJN-UHFFFAOYSA-N -2 0 362.367 0.885 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1F ZINC001609624749 1289267210 /nfs/dbraw/zinc/26/72/10/1289267210.db2.gz OELACXDHSWPYHF-UHFFFAOYSA-N -2 0 356.335 0.866 20 0 FCADRL C[C@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])n1ccc2ccccc2c1=O ZINC001609636502 1289269935 /nfs/dbraw/zinc/26/99/35/1289269935.db2.gz WXRKTWBVQUPBOR-SNVBAGLBSA-N -2 0 352.368 0.483 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCc1ccccc1C(N)=O ZINC001609638149 1289269959 /nfs/dbraw/zinc/26/99/59/1289269959.db2.gz BDYOWGRSSXATOH-UWVGGRQHSA-N -2 0 356.400 0.273 20 0 FCADRL C[C@@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC001609636669 1289270047 /nfs/dbraw/zinc/27/00/47/1289270047.db2.gz YWIRFZOJVRTPLE-RKDXNWHRSA-N -2 0 363.413 0.113 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC001609639022 1289270615 /nfs/dbraw/zinc/27/06/15/1289270615.db2.gz PPMMLXRMIRGGMT-AXFHLTTASA-N -2 0 372.399 0.183 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1cccnc1 ZINC001609639370 1289270623 /nfs/dbraw/zinc/27/06/23/1289270623.db2.gz WDZGWQINLHMPTP-NXEZZACHSA-N -2 0 366.399 0.651 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1ccncc1 ZINC001609639076 1289270812 /nfs/dbraw/zinc/27/08/12/1289270812.db2.gz QKVVVFIPFIORJJ-VHSXEESVSA-N -2 0 366.399 0.651 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2ccnn2)cc1 ZINC001609638928 1289270885 /nfs/dbraw/zinc/27/08/85/1289270885.db2.gz OHZHFNBBYIVDTK-VHSXEESVSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1csc(Nc2ccccn2)n1 ZINC001609642728 1289271609 /nfs/dbraw/zinc/27/16/09/1289271609.db2.gz BUWPRUZEPOAKSL-SSDOTTSWSA-N -2 0 356.385 0.814 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCc1nnc(-c2ccsc2)o1 ZINC001609642437 1289271655 /nfs/dbraw/zinc/27/16/55/1289271655.db2.gz RIZBQVPXQIMAJT-ZETCQYMHSA-N -2 0 359.385 0.650 20 0 FCADRL C[C@H](C(=O)[O-])N(Cc1cccnc1)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001609641794 1289271687 /nfs/dbraw/zinc/27/16/87/1289271687.db2.gz SOQIFMHZTMZWFD-LLVKDONJSA-N -2 0 356.400 0.941 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)OC(C)(C)C ZINC001609642303 1289271735 /nfs/dbraw/zinc/27/17/35/1289271735.db2.gz LZCKAFNDTCYQCY-SECBINFHSA-N -2 0 352.409 0.553 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1(c2ccc(F)cc2)CCOCC1 ZINC001609642296 1289271749 /nfs/dbraw/zinc/27/17/49/1289271749.db2.gz LUIZLTUVAISMPQ-SNVBAGLBSA-N -2 0 359.375 0.793 20 0 FCADRL CC(C)(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])nn1 ZINC001609653183 1289274155 /nfs/dbraw/zinc/27/41/55/1289274155.db2.gz WSWMKJSPJNXPQA-UHFFFAOYSA-N -2 0 374.419 0.064 20 0 FCADRL CC(C)(C)OC(=O)N[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC001609667686 1289277834 /nfs/dbraw/zinc/27/78/34/1289277834.db2.gz WSCNSNWFCMGDST-BDAKNGLRSA-N -2 0 350.393 0.210 20 0 FCADRL C[C@]1(C(=O)[N-]S(=O)(=O)CC(=O)[O-])CCCN1C(=O)c1ccccc1 ZINC001609810351 1289302114 /nfs/dbraw/zinc/30/21/14/1289302114.db2.gz JGPALYJTWXUCQP-OAHLLOKOSA-N -2 0 354.384 0.212 20 0 FCADRL CC1(C)CN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)[C@H](C(=O)[O-])CO1 ZINC001609819266 1289303917 /nfs/dbraw/zinc/30/39/17/1289303917.db2.gz UAUXIYWOXLZHIW-NSHDSACASA-N -2 0 361.347 0.777 20 0 FCADRL C[C@H]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C[C@@H]1C(=O)[O-] ZINC001609857933 1289312579 /nfs/dbraw/zinc/31/25/79/1289312579.db2.gz XLQFQIJSJXEFSG-CABZTGNLSA-N -2 0 366.345 0.961 20 0 FCADRL C[C@H]1CCN(C(=O)C(=O)NCCc2cccc(C(=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC001609856203 1289312993 /nfs/dbraw/zinc/31/29/93/1289312993.db2.gz IAZMOLCLZOQSNA-FZMZJTMJSA-N -2 0 362.382 0.613 20 0 FCADRL CC[C@H](CNS(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-])C(=O)[O-] ZINC001609920994 1289328196 /nfs/dbraw/zinc/32/81/96/1289328196.db2.gz PYSCPTSHWLLNRU-ZCFIWIBFSA-N -2 0 365.385 0.622 20 0 FCADRL CCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)CC1=O ZINC001609977626 1289334498 /nfs/dbraw/zinc/33/44/98/1289334498.db2.gz FIIDPTNIHXOKRB-VIFPVBQESA-N -2 0 358.372 0.350 20 0 FCADRL CCN(CCC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001610000948 1289340660 /nfs/dbraw/zinc/34/06/60/1289340660.db2.gz BEWYGUNNQRKCDT-UHFFFAOYSA-N -2 0 350.343 0.566 20 0 FCADRL CCOC(=O)CC[C@H](NS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])C(=O)[O-] ZINC001610016713 1289345591 /nfs/dbraw/zinc/34/55/91/1289345591.db2.gz VDSGUKCKVSEYMA-DCAQKATOSA-N -2 0 365.404 0.346 20 0 FCADRL CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001610028089 1289351319 /nfs/dbraw/zinc/35/13/19/1289351319.db2.gz DAFNKJSGBDVDMS-VXGBXAGGSA-N -2 0 357.384 0.552 20 0 FCADRL CCc1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-] ZINC001610074096 1289364514 /nfs/dbraw/zinc/36/45/14/1289364514.db2.gz XMJPTEFMQSOZMU-BQBZGAKWSA-N -2 0 351.812 0.805 20 0 FCADRL COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001610151056 1289400808 /nfs/dbraw/zinc/40/08/08/1289400808.db2.gz MUGSAUXURPFPGB-MRVPVSSYSA-N -2 0 365.747 0.333 20 0 FCADRL COC(=O)CC[C@@H](NS(=O)(=O)c1cccc(C)c1C(=O)[O-])C(=O)[O-] ZINC001610182536 1289414314 /nfs/dbraw/zinc/41/43/14/1289414314.db2.gz MCUSDNWVTJUNMG-SECBINFHSA-N -2 0 359.356 0.378 20 0 FCADRL COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])c(F)c1 ZINC001610206958 1289426414 /nfs/dbraw/zinc/42/64/14/1289426414.db2.gz MLCGTVGELZHEOG-YUMQZZPRSA-N -2 0 361.347 0.781 20 0 FCADRL COC(=O)c1cnc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)cn1 ZINC001610218419 1289429003 /nfs/dbraw/zinc/42/90/03/1289429003.db2.gz RLRXWBLJVNIPIE-UHFFFAOYSA-N -2 0 351.344 0.774 20 0 FCADRL COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC001610221100 1289429820 /nfs/dbraw/zinc/42/98/20/1289429820.db2.gz HCNNJUYPVVHWIT-UHFFFAOYSA-N -2 0 359.385 0.925 20 0 FCADRL COCCn1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c2ccccc21 ZINC001610268562 1289446358 /nfs/dbraw/zinc/44/63/58/1289446358.db2.gz XAXSFEAXZGTIOS-JTQLQIEISA-N -2 0 354.384 0.820 20 0 FCADRL COc1c(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c(C)nn1C ZINC001610278809 1289448342 /nfs/dbraw/zinc/44/83/42/1289448342.db2.gz ZFMWMZHWVIVMLE-UWVGGRQHSA-N -2 0 359.404 0.433 20 0 FCADRL COc1cc(C(=O)[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)nn1C ZINC001610282150 1289449489 /nfs/dbraw/zinc/44/94/89/1289449489.db2.gz FOADPDMSJJYUIY-UHFFFAOYSA-N -2 0 371.346 0.314 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC([C@@H](C)C(=O)[O-])C2)c(OC)c1C(=O)[O-] ZINC001610345406 1289465713 /nfs/dbraw/zinc/46/57/13/1289465713.db2.gz ZWOIEQOPVLKCQR-MRVPVSSYSA-N -2 0 373.383 0.743 20 0 FCADRL CSc1cccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])CC2=O)c1 ZINC001610387069 1289477996 /nfs/dbraw/zinc/47/79/96/1289477996.db2.gz LKGTZJRNROOFHA-VIFPVBQESA-N -2 0 372.424 0.292 20 0 FCADRL Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC001610403489 1289481089 /nfs/dbraw/zinc/48/10/89/1289481089.db2.gz HNFJXODZUSOTFW-UHFFFAOYSA-N -2 0 368.371 0.427 20 0 FCADRL Cc1c(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2C)coc1C(=O)N(C)C ZINC001610427408 1289485831 /nfs/dbraw/zinc/48/58/31/1289485831.db2.gz FIGCMNYQFOTBAK-UHFFFAOYSA-N -2 0 370.387 0.680 20 0 FCADRL Cc1cc(C)n(C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2)C(=O)[O-])n1 ZINC001610456465 1289489716 /nfs/dbraw/zinc/48/97/16/1289489716.db2.gz YHBAFNIXLQWULM-ZDUSSCGKSA-N -2 0 367.383 0.630 20 0 FCADRL Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001610477406 1289493139 /nfs/dbraw/zinc/49/31/39/1289493139.db2.gz VGYYOINWEWUABY-JTQLQIEISA-N -2 0 352.343 0.576 20 0 FCADRL Cc1ccc(-n2cnnn2)cc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001610482029 1289494457 /nfs/dbraw/zinc/49/44/57/1289494457.db2.gz HDZRCHSGRBKBEN-UHFFFAOYSA-N -2 0 366.384 0.926 20 0 FCADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)OCC(=O)NCC(=O)[O-])n2)c1 ZINC001610503085 1289496045 /nfs/dbraw/zinc/49/60/45/1289496045.db2.gz YVAGHBXKDFYUOK-UHFFFAOYSA-N -2 0 351.290 0.383 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)NCC(=O)[O-])cc2)cn1 ZINC001610512886 1289498021 /nfs/dbraw/zinc/49/80/21/1289498021.db2.gz AAHSVBUIWUATKK-UHFFFAOYSA-N -2 0 363.395 0.934 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])n2C)cc1C(N)=O ZINC001610512739 1289498731 /nfs/dbraw/zinc/49/87/31/1289498731.db2.gz QANMKZKCVRLITB-UHFFFAOYSA-N -2 0 365.367 0.249 20 0 FCADRL Cc1cccc(S(=O)(=O)N2CCC(OCC(=O)[O-])CC2)c1C(=O)[O-] ZINC001610525177 1289500702 /nfs/dbraw/zinc/50/07/02/1289500702.db2.gz QZHNTJWZWPAZAT-UHFFFAOYSA-N -2 0 357.384 0.948 20 0 FCADRL Cc1sc([C@@H]2CCCN2C(=O)c2cnc([O-])n(C)c2=O)nc1C(=O)[O-] ZINC001610590102 1289519665 /nfs/dbraw/zinc/51/96/65/1289519665.db2.gz HCLAMGBNUVFBNB-VIFPVBQESA-N -2 0 364.383 0.926 20 0 FCADRL Cn1c(C(=O)[O-])ccc1C(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC001610595175 1289521834 /nfs/dbraw/zinc/52/18/34/1289521834.db2.gz ASJNINPMBLHAAL-UHFFFAOYSA-N -2 0 362.314 0.304 20 0 FCADRL Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cn1 ZINC001610601924 1289523701 /nfs/dbraw/zinc/52/37/01/1289523701.db2.gz WNVFYDGBIYBSQZ-GORDUTHDSA-N -2 0 371.321 0.915 20 0 FCADRL O=C([O-])c1nc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)sc1C1CC1 ZINC001610677931 1289549728 /nfs/dbraw/zinc/54/97/28/1289549728.db2.gz ZWADOXWWGLNSMO-UHFFFAOYSA-N -2 0 360.355 0.742 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)c2scnc2C2CC2)CC1 ZINC001610701945 1289560140 /nfs/dbraw/zinc/56/01/40/1289560140.db2.gz OOGDKUMSHDESLS-UHFFFAOYSA-N -2 0 359.429 0.792 20 0 FCADRL O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001610701358 1289560671 /nfs/dbraw/zinc/56/06/71/1289560671.db2.gz GUKIMDVPDGEZPJ-LBPRGKRZSA-N -2 0 359.317 0.866 20 0 FCADRL O=C([O-])[C@@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)Cc1ccccc1 ZINC001610745018 1289576259 /nfs/dbraw/zinc/57/62/59/1289576259.db2.gz OOGOXJMPVLRTPI-CQSZACIVSA-N -2 0 370.427 0.561 20 0 FCADRL O=C([O-])[C@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC001610744878 1289576383 /nfs/dbraw/zinc/57/63/83/1289576383.db2.gz CZGKMAHBYWSBJV-CYBMUJFWSA-N -2 0 356.400 0.486 20 0 FCADRL O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC001610760669 1289582257 /nfs/dbraw/zinc/58/22/57/1289582257.db2.gz ZJLNZFCEKSVECC-GFCCVEGCSA-N -2 0 374.393 0.983 20 0 FCADRL O=C([O-])COC1CCN(S(=O)(=O)CC2(C(=O)[O-])CCCCC2)CC1 ZINC001610784937 1289592562 /nfs/dbraw/zinc/59/25/62/1289592562.db2.gz AFDVGHHNGFMMFG-UHFFFAOYSA-N -2 0 363.432 0.917 20 0 FCADRL O=C([O-])CNC(=O)Cc1ccc(NC(=O)c2c[n-]n3c2nccc3=O)cc1 ZINC001610783769 1289592645 /nfs/dbraw/zinc/59/26/45/1289592645.db2.gz PJZKJAWNHHAMNQ-UHFFFAOYSA-N -2 0 369.337 0.018 20 0 FCADRL O=C([O-])Cc1cccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)c1 ZINC001610794957 1289595742 /nfs/dbraw/zinc/59/57/42/1289595742.db2.gz QXEQRWKDNGNZMY-UHFFFAOYSA-N -2 0 364.354 0.250 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)n1 ZINC001610801095 1289596946 /nfs/dbraw/zinc/59/69/46/1289596946.db2.gz KXBSZIAYHQSDKE-UHFFFAOYSA-N -2 0 351.266 0.577 20 0 FCADRL O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001610802682 1289598675 /nfs/dbraw/zinc/59/86/75/1289598675.db2.gz VIUXIIFGQSLKQI-MNOVXSKESA-N -2 0 351.746 0.891 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCc3n[nH]cc3C2)cc1 ZINC001610829629 1289602833 /nfs/dbraw/zinc/60/28/33/1289602833.db2.gz JDYYXFPYSNVYTE-GFCCVEGCSA-N -2 0 363.395 0.859 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2nnc3ccccc3n2)c1 ZINC001610850017 1289605964 /nfs/dbraw/zinc/60/59/64/1289605964.db2.gz XBJSLRKMMQUGMJ-UHFFFAOYSA-N -2 0 358.335 0.842 20 0 FCADRL O=C([O-])c1ccccc1CS(=O)(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001610854345 1289607068 /nfs/dbraw/zinc/60/70/68/1289607068.db2.gz YGDXSMXJYYTBHC-UHFFFAOYSA-N -2 0 366.399 0.918 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)c1F ZINC000749145763 836344118 /nfs/dbraw/zinc/34/41/18/836344118.db2.gz OAOGCPQXSYETIR-UHFFFAOYSA-N -2 0 370.362 0.705 20 0 FCADRL CN1CC[C@]2(CCN(C(=O)c3ccccc3OP(=O)([O-])[O-])C2)C1=O ZINC001276295839 861395837 /nfs/dbraw/zinc/39/58/37/861395837.db2.gz IRVQRPIGVZZTBI-OAHLLOKOSA-N -2 0 354.299 0.853 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)C1CCOCC1 ZINC001117718029 847155557 /nfs/dbraw/zinc/15/55/57/847155557.db2.gz GAOCGDNRJVRXRT-VIFPVBQESA-N -2 0 360.354 0.315 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cc(O)c(Br)c(O)c1 ZINC001148989340 849625508 /nfs/dbraw/zinc/62/55/08/849625508.db2.gz DGOCVMAGYYGZQM-UHFFFAOYSA-N -2 0 356.065 0.699 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cn2nc(Br)sc2n1 ZINC001152087188 849705380 /nfs/dbraw/zinc/70/53/80/849705380.db2.gz ZZDWWYQEFZOIKZ-UHFFFAOYSA-N -2 0 371.109 0.392 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CCSC[C@@H]2c2nnn[n-]2)c1 ZINC001154777886 849813205 /nfs/dbraw/zinc/81/32/05/849813205.db2.gz YJZGJIQYZUGGIA-OIRASMEMSA-N -2 0 367.456 0.633 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CCSC[C@H]2c2nnn[n-]2)c1 ZINC001154777884 849813521 /nfs/dbraw/zinc/81/35/21/849813521.db2.gz YJZGJIQYZUGGIA-FNODVLLQSA-N -2 0 367.456 0.633 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1ccn2c(c1)nnc2C1CCOCC1 ZINC001156404235 849907834 /nfs/dbraw/zinc/90/78/34/849907834.db2.gz JJRKBVNVJPRLBT-UHFFFAOYSA-N -2 0 370.302 0.462 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2ccc(N[C@@H]3SC(=O)[N-]C3=O)nc2)no1 ZINC001163664310 850377916 /nfs/dbraw/zinc/37/79/16/850377916.db2.gz CNHBCACZOPZLGN-LLVKDONJSA-N -2 0 369.384 0.900 20 0 FCADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(Nc2ccc3ncnn3c2)c1 ZINC001174375215 850740827 /nfs/dbraw/zinc/74/08/27/850740827.db2.gz OSHYVSBPGZXUJK-UHFFFAOYSA-N -2 0 370.368 0.966 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)NCCOP(=O)([O-])[O-])C1 ZINC001179486185 850977566 /nfs/dbraw/zinc/97/75/66/850977566.db2.gz BARWUTVWJHVZQL-YGRLFVJLSA-N -2 0 364.335 0.859 20 0 FCADRL O=C(CCn1cc(Br)ccc1=O)NCCOP(=O)([O-])[O-] ZINC001183244394 851235914 /nfs/dbraw/zinc/23/59/14/851235914.db2.gz GJQWHFCLYBQYPW-UHFFFAOYSA-N -2 0 369.108 0.226 20 0 FCADRL CC(C)(C)OC(=O)N1CCC(=O)[C@H](C(=O)NCCOP(=O)([O-])[O-])C1 ZINC001183308666 851242574 /nfs/dbraw/zinc/24/25/74/851242574.db2.gz KFTMWIRTJHVOQS-SECBINFHSA-N -2 0 366.307 0.038 20 0 FCADRL CC(C)(C)OC(=O)N1CCC(=O)[C@@H](C(=O)NCCOP(=O)([O-])[O-])C1 ZINC001183308667 851242700 /nfs/dbraw/zinc/24/27/00/851242700.db2.gz KFTMWIRTJHVOQS-VIFPVBQESA-N -2 0 366.307 0.038 20 0 FCADRL O=C(Cc1cc(Br)ccc1O)NCCOP(=O)([O-])[O-] ZINC001183920346 851277232 /nfs/dbraw/zinc/27/72/32/851277232.db2.gz DKAQQLLNXDLIEQ-UHFFFAOYSA-N -2 0 354.093 0.923 20 0 FCADRL O=C([O-])C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@@H]1CO[N-]C1=O ZINC001184742399 851320153 /nfs/dbraw/zinc/32/01/53/851320153.db2.gz WQCMPUUBIABMGW-PSASIEDQSA-N -2 0 367.408 0.778 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2c(C)cnn2CCO)cc1C(=O)[O-] ZINC001185278241 851349484 /nfs/dbraw/zinc/34/94/84/851349484.db2.gz NAIGVTUITYHDQD-UHFFFAOYSA-N -2 0 355.372 0.691 20 0 FCADRL COC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186143271 851413879 /nfs/dbraw/zinc/41/38/79/851413879.db2.gz LVIIXUCFYHYOGP-UHFFFAOYSA-N -2 0 355.303 0.901 20 0 FCADRL CCOCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C)cc1[O-] ZINC001187283435 851538750 /nfs/dbraw/zinc/53/87/50/851538750.db2.gz HCKMGVHLFQMLHO-UHFFFAOYSA-N -2 0 352.434 0.421 20 0 FCADRL CO[C@@H]1COCC[C@H]1NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189933368 851845666 /nfs/dbraw/zinc/84/56/66/851845666.db2.gz ISJPJPBUZDDROU-VXGBXAGGSA-N -2 0 359.356 0.165 20 0 FCADRL O=C([O-])c1cc(C(=O)NCc2ccnn2CCF)cc(S(=O)(=O)[O-])c1 ZINC001189941330 851847076 /nfs/dbraw/zinc/84/70/76/851847076.db2.gz IUZGUNZYDHMKGV-UHFFFAOYSA-N -2 0 371.346 0.728 20 0 FCADRL COC(=O)[C@H]1C[C@H]1CNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189942245 851847667 /nfs/dbraw/zinc/84/76/67/851847667.db2.gz XEEIKKIMSNGQRQ-ONGXEEELSA-N -2 0 357.340 0.170 20 0 FCADRL COC(=O)[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190402865 851902692 /nfs/dbraw/zinc/90/26/92/851902692.db2.gz DMAUJXWCIXVQGB-QMMMGPOBSA-N -2 0 355.290 0.789 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1ccc(=O)n(Cc2ccccc2)c1 ZINC001190560601 851922638 /nfs/dbraw/zinc/92/26/38/851922638.db2.gz QFIGQFPYGXWKEX-UHFFFAOYSA-N -2 0 352.283 0.736 20 0 FCADRL CC(C)(C)OC(=O)Nc1ccncc1C(=O)NCCOP(=O)([O-])[O-] ZINC001191263737 852038473 /nfs/dbraw/zinc/03/84/73/852038473.db2.gz BDWJODSMHIWBDE-UHFFFAOYSA-N -2 0 361.291 0.690 20 0 FCADRL NC(=O)c1cnc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 ZINC001192109570 852183488 /nfs/dbraw/zinc/18/34/88/852183488.db2.gz FWMBLOUGRPPULX-UHFFFAOYSA-N -2 0 350.356 0.394 20 0 FCADRL Cc1nnc(-c2cccc(S(=O)(=O)NCCOP(=O)([O-])[O-])c2)o1 ZINC001192283734 852207880 /nfs/dbraw/zinc/20/78/80/852207880.db2.gz LEIZDYFZMZAQCM-UHFFFAOYSA-N -2 0 363.288 0.433 20 0 FCADRL Cc1cnn(CCO)c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192686023 852277061 /nfs/dbraw/zinc/27/70/61/852277061.db2.gz VZTCMFAQJYQLBR-UHFFFAOYSA-N -2 0 355.372 0.448 20 0 FCADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ncccc2CCO)cc1 ZINC001192690230 852278170 /nfs/dbraw/zinc/27/81/70/852278170.db2.gz UHCZOMIKESZHRT-UHFFFAOYSA-N -2 0 352.368 0.881 20 0 FCADRL NC(=O)c1nccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001193972054 852519121 /nfs/dbraw/zinc/51/91/21/852519121.db2.gz VDXFVMOWCIMXAH-UHFFFAOYSA-N -2 0 374.737 0.867 20 0 FCADRL COc1ncc(C(=O)NCCOP(=O)([O-])[O-])cc1Br ZINC001195841214 852834003 /nfs/dbraw/zinc/83/40/03/852834003.db2.gz XDRIFRSIAANYEU-UHFFFAOYSA-N -2 0 355.081 0.692 20 0 FCADRL O=P([O-])([O-])OCCNS(=O)(=O)c1ccc(Br)cn1 ZINC001196179992 852906537 /nfs/dbraw/zinc/90/65/37/852906537.db2.gz BEWWQXZUEWZNDZ-UHFFFAOYSA-N -2 0 361.110 0.232 20 0 FCADRL C[C@H]1[C@H](NC(=O)c2cc(Cl)c(F)cc2[O-])C(=O)N1S(=O)(=O)[O-] ZINC001196465897 852962184 /nfs/dbraw/zinc/96/21/84/852962184.db2.gz BMCZFQKAADQDTD-IGJIYHIXSA-N -2 0 352.727 0.317 20 0 FCADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1nccnc1N1CCOCC1 ZINC001198739246 853311297 /nfs/dbraw/zinc/31/12/97/853311297.db2.gz ODVRRSZYPAUKRO-UHFFFAOYSA-N -2 0 364.383 0.812 20 0 FCADRL CCOC(=O)c1ccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001222163976 856807242 /nfs/dbraw/zinc/80/72/42/856807242.db2.gz WUEUUAOUJIPLRN-DGCLKSJQSA-N -2 0 354.311 0.443 20 0 FCADRL COC(=O)[C@H](OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1ccccc1Cl ZINC001223022638 856891025 /nfs/dbraw/zinc/89/10/25/856891025.db2.gz IWXOWWQVDVAXDH-JFUSQASVSA-N -2 0 374.729 0.634 20 0 FCADRL CCOC(=O)c1ccccc1COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001223084170 856895212 /nfs/dbraw/zinc/89/52/12/856895212.db2.gz MQQVFETZDPKKDZ-WCQYABFASA-N -2 0 354.311 0.443 20 0 FCADRL O=C([O-])C[C@@H](C(=O)OCc1cc(-c2cccs2)on1)[C@H](O)C(=O)[O-] ZINC001223659637 856935471 /nfs/dbraw/zinc/93/54/71/856935471.db2.gz SUUJOXWOVIIASB-PELKAZGASA-N -2 0 355.324 0.983 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@H](COC(=O)[C@H](O)COP(=O)([O-])[O-])C1 ZINC001224439317 856983909 /nfs/dbraw/zinc/98/39/09/856983909.db2.gz HPLLAOMBXJODCJ-VHSXEESVSA-N -2 0 369.307 0.257 20 0 FCADRL CC(C)(C)OC(=O)NC1(COC(=O)[C@H](O)COP(=O)([O-])[O-])CC1 ZINC001224798721 857002539 /nfs/dbraw/zinc/00/25/39/857002539.db2.gz MUXMNUYYZRQONR-MRVPVSSYSA-N -2 0 355.280 0.057 20 0 FCADRL COc1cc2c(cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])C(=O)CC2 ZINC001225424618 857040897 /nfs/dbraw/zinc/04/08/97/857040897.db2.gz GTUYUGWJCXUQOL-OTYXRUKQSA-N -2 0 352.295 0.266 20 0 FCADRL COc1cc2c(cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])C(=O)CC2 ZINC001225424617 857040931 /nfs/dbraw/zinc/04/09/31/857040931.db2.gz GTUYUGWJCXUQOL-LKFCYVNXSA-N -2 0 352.295 0.266 20 0 FCADRL O=C(Oc1ccc(Br)cc1F)[C@H](O)COP(=O)([O-])[O-] ZINC001225691036 857054556 /nfs/dbraw/zinc/05/45/56/857054556.db2.gz JQNKLTBMFYFKHC-SSDOTTSWSA-N -2 0 359.040 0.964 20 0 FCADRL CSc1nc2[nH]ccc2c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001226024193 857080024 /nfs/dbraw/zinc/08/00/24/857080024.db2.gz PPBQCVFIZZSXNA-HTRCEHHLSA-N -2 0 355.328 0.122 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ncnc2cc(F)cc(F)c21)[C@@H](O)C(=O)[O-] ZINC001226826416 857127923 /nfs/dbraw/zinc/12/79/23/857127923.db2.gz JZEYDOFNJVQWAR-UPONEAKYSA-N -2 0 356.237 0.350 20 0 FCADRL COc1ccc2[nH]c(=O)cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c2c1 ZINC001226932758 857132620 /nfs/dbraw/zinc/13/26/20/857132620.db2.gz QLZPHNOUTFPTKZ-SNVBAGLBSA-N -2 0 359.227 0.325 20 0 FCADRL Cc1sc2ncnc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2c1C ZINC001227083131 857140435 /nfs/dbraw/zinc/14/04/35/857140435.db2.gz TZGVNDLHGRXQMY-OIBJUYFYSA-N -2 0 354.340 0.750 20 0 FCADRL COC(=O)c1ccc(Cl)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001227157339 857146957 /nfs/dbraw/zinc/14/69/57/857146957.db2.gz TXUOHANCHJOCFD-WRWORJQWSA-N -2 0 360.702 0.568 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(Br)nc1F)[C@H](O)C(=O)[O-] ZINC001227608197 857166827 /nfs/dbraw/zinc/16/68/27/857166827.db2.gz VGDNGLCOHSKLPX-VHWMUFPASA-N -2 0 366.095 0.425 20 0 FCADRL O=C([O-])C[C@@H](O)C(=O)Oc1cc(S(=O)(=O)[O-])cc2ccc(O)cc21 ZINC001227669971 857169582 /nfs/dbraw/zinc/16/95/82/857169582.db2.gz YNOREDPXTJAFPT-LLVKDONJSA-N -2 0 356.308 0.533 20 0 FCADRL COC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1Cl ZINC001227937216 857185528 /nfs/dbraw/zinc/18/55/28/857185528.db2.gz FXODSIWTCYXISC-LDYMZIIASA-N -2 0 360.702 0.568 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2cc(Cl)ccc21)[C@H](O)C(=O)[O-] ZINC001227989925 857188514 /nfs/dbraw/zinc/18/85/14/857188514.db2.gz YYCTXUWGALXACE-XVKPBYJWSA-N -3 0 370.701 0.431 20 0 FCADRL CCCOC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001228004692 857188886 /nfs/dbraw/zinc/18/88/86/857188886.db2.gz DTQGPXCJUWCLLV-YPMHNXCESA-N -2 0 354.311 0.695 20 0 FCADRL CCOCc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(OC)c1 ZINC001228169285 857194709 /nfs/dbraw/zinc/19/47/09/857194709.db2.gz FRULWWCFNMADJR-HZMBPMFUSA-N -2 0 356.327 0.674 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(O)cc1Br)[C@H](O)C(=O)[O-] ZINC001228207386 857197375 /nfs/dbraw/zinc/19/73/75/857197375.db2.gz XTBGORVCGTZJGO-WKEGUHRASA-N -2 0 363.116 0.597 20 0 FCADRL COc1cc(CC(C)=O)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228247812 857198445 /nfs/dbraw/zinc/19/84/45/857198445.db2.gz BNGHCOTVCVGPIH-HZMBPMFUSA-N -2 0 354.311 0.269 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc2cc(Cl)cnc2n1)[C@@H](O)C(=O)[O-] ZINC001228384085 857207842 /nfs/dbraw/zinc/20/78/42/857207842.db2.gz DPKQBKYHPJPLJT-LDYMZIIASA-N -2 0 354.702 0.725 20 0 FCADRL Cc1cc(Br)ncc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228702269 857224729 /nfs/dbraw/zinc/22/47/29/857224729.db2.gz OCVOEFXAKGOOAM-LHLIQPBNSA-N -2 0 362.132 0.594 20 0 FCADRL Cc1ccc(Br)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001228744946 857226883 /nfs/dbraw/zinc/22/68/83/857226883.db2.gz HBDWJELUNGAGOC-HZGVNTEJSA-N -2 0 362.132 0.594 20 0 FCADRL Cc1ccc(Br)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])n1 ZINC001228744755 857227156 /nfs/dbraw/zinc/22/71/56/857227156.db2.gz AXSHRTVQDDJBFG-SSDOTTSWSA-N -2 0 356.065 0.528 20 0 FCADRL COc1ccc2ncnc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2c1 ZINC001228869853 857232932 /nfs/dbraw/zinc/23/29/32/857232932.db2.gz RPRPHUROUAGVBS-JOYOIKCWSA-N -2 0 350.283 0.080 20 0 FCADRL CCCC(=O)Nc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001229484383 857272117 /nfs/dbraw/zinc/27/21/17/857272117.db2.gz LMQAQFCKYSJGBU-RISCZKNCSA-N -2 0 353.327 0.867 20 0 FCADRL COC(=O)c1cc2ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc2[nH]1 ZINC001229559858 857275150 /nfs/dbraw/zinc/27/51/50/857275150.db2.gz BJRROSUFRDSCFZ-LLVKDONJSA-N -2 0 359.227 0.330 20 0 FCADRL COC(=O)c1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(C)cc1F ZINC001230039768 857298492 /nfs/dbraw/zinc/29/84/92/857298492.db2.gz GKLOBQZQPYIWIH-SECBINFHSA-N -2 0 352.207 0.296 20 0 FCADRL CO[C@@H](C)CCOc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-] ZINC001230145490 857307488 /nfs/dbraw/zinc/30/74/88/857307488.db2.gz AEZVVOCSIFCLQR-ZETCQYMHSA-N -2 0 356.374 0.689 20 0 FCADRL O=C1CCC(Oc2c(O)cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])CC1 ZINC001230147041 857307676 /nfs/dbraw/zinc/30/76/76/857307676.db2.gz PJUOANKAGHPZGF-UHFFFAOYSA-N -2 0 366.369 0.776 20 0 FCADRL Cn1c2ccc(Cl)nc2nc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001231039785 857354745 /nfs/dbraw/zinc/35/47/45/857354745.db2.gz MBCGSXQRCFEHNN-SSDLBLMSSA-N -2 0 357.706 0.064 20 0 FCADRL Cc1cc(=O)c2ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc2o1 ZINC001231172166 857356874 /nfs/dbraw/zinc/35/68/74/857356874.db2.gz RJMXXLWVNPXVME-YGRLFVJLSA-N -2 0 350.279 0.543 20 0 FCADRL COC(=O)[C@@H](C)Oc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1 ZINC001231265227 857357962 /nfs/dbraw/zinc/35/79/62/857357962.db2.gz BBVWAUNIBVJOIO-LDYMZIIASA-N -2 0 364.243 0.003 20 0 FCADRL COC(=O)CCc1cccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001233658944 857388694 /nfs/dbraw/zinc/38/86/94/857388694.db2.gz SDJGSSWJMORLSN-BXUZGUMPSA-N -2 0 354.311 0.234 20 0 FCADRL COC(=O)c1ccc(F)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1F ZINC001233909688 857392135 /nfs/dbraw/zinc/39/21/35/857392135.db2.gz KTVPVSBVGMJNOM-LDWIPMOCSA-N -2 0 362.237 0.193 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ncnc2ccc(F)c(F)c21)[C@H](O)C(=O)[O-] ZINC001234027296 857394900 /nfs/dbraw/zinc/39/49/00/857394900.db2.gz SKDKJXMNTZAGKO-DYEAUMGKSA-N -2 0 356.237 0.350 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cnc(F)cc1Br)[C@@H](O)C(=O)[O-] ZINC001234212153 857398852 /nfs/dbraw/zinc/39/88/52/857398852.db2.gz KTHBPCPJBXJAPW-ALFREKQPSA-N -2 0 366.095 0.425 20 0 FCADRL COc1ccc2ccc(=O)oc2c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001234388186 857403018 /nfs/dbraw/zinc/40/30/18/857403018.db2.gz RMTYEFOYALJPJW-MRVPVSSYSA-N -2 0 360.211 0.177 20 0 FCADRL COC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(F)c1F ZINC001234401272 857404471 /nfs/dbraw/zinc/40/44/71/857404471.db2.gz ADUKEBGLCZLKSW-KSBSHMNSSA-N -2 0 362.237 0.193 20 0 FCADRL O=C(Oc1ccc(Cl)c2c1CCC2=O)[C@H](O)COP(=O)([O-])[O-] ZINC001234507686 857408273 /nfs/dbraw/zinc/40/82/73/857408273.db2.gz KJGRBAPXGKKALG-SECBINFHSA-N -2 0 350.647 0.845 20 0 FCADRL Cc1cccc(-c2nc(C)cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])n2)n1 ZINC001234701405 857412478 /nfs/dbraw/zinc/41/24/78/857412478.db2.gz QAWXUVVKNWLCIN-LLVKDONJSA-N -2 0 369.270 0.531 20 0 FCADRL COc1cc(F)c2c(c1)ncnc2OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001234873258 857414642 /nfs/dbraw/zinc/41/46/42/857414642.db2.gz KUNUELPTXCFFRD-SECBINFHSA-N -2 0 362.206 0.153 20 0 FCADRL O=C1[N-]C(=O)[C@H]([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)S1 ZINC001251236992 857709539 /nfs/dbraw/zinc/70/95/39/857709539.db2.gz RCWVVSITYMJYFO-MRVPVSSYSA-N -2 0 362.257 0.970 20 0 FCADRL COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(F)c(F)c1F ZINC001259081352 858238092 /nfs/dbraw/zinc/23/80/92/858238092.db2.gz OVPCMOUKBAPRRR-ZETCQYMHSA-N -2 0 355.290 0.789 20 0 FCADRL CCCc1nn(C)c(C(N)=O)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260221870 858356755 /nfs/dbraw/zinc/35/67/55/858356755.db2.gz XXOLIZZVETWDMB-UHFFFAOYSA-N -2 0 366.399 0.971 20 0 FCADRL Cc1cnn(C2COC2)c1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260394145 858366441 /nfs/dbraw/zinc/36/64/41/858366441.db2.gz SWILBNSOTJQQBK-UHFFFAOYSA-N -2 0 353.356 0.967 20 0 FCADRL COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1C(N)=O ZINC001260398838 858368059 /nfs/dbraw/zinc/36/80/59/858368059.db2.gz CIMBIVCEXUAVBM-UHFFFAOYSA-N -2 0 366.351 0.999 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)c1ccccn1 ZINC001260401719 858368872 /nfs/dbraw/zinc/36/88/72/858368872.db2.gz CDBBSCBGKQEQRQ-ZDUSSCGKSA-N -2 0 366.351 0.678 20 0 FCADRL COc1ccc(C(N)=O)c([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC001260399319 858369071 /nfs/dbraw/zinc/36/90/71/858369071.db2.gz GGXGLCAKEQJNKI-UHFFFAOYSA-N -2 0 366.351 0.999 20 0 FCADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)C2CCOCC2)c1 ZINC001326183661 870200484 /nfs/dbraw/zinc/20/04/84/870200484.db2.gz JASJUZISKLCMLY-JOCHJYFZSA-N -2 0 361.441 0.428 20 0 FCADRL O=C([O-])c1cccc(CNC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)c1 ZINC001595243485 949490370 /nfs/dbraw/zinc/49/03/70/949490370.db2.gz FZXUQTODHLDDFP-UHFFFAOYSA-N -2 0 354.322 0.894 20 0 FCADRL C[C@@H](C(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC001602806695 971591516 /nfs/dbraw/zinc/59/15/16/971591516.db2.gz STPZVQCJNAFNPN-SECBINFHSA-N -2 0 350.356 0.937 20 0 FCADRL O=Cc1cc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])co1 ZINC001595295501 950124546 /nfs/dbraw/zinc/12/45/46/950124546.db2.gz OZDPGYFNDXJNQU-VHSXEESVSA-N -2 0 362.260 0.828 20 0 FCADRL CCOC(=O)c1nc([C@@H](C)NC(=O)c2cccc(OCC(=O)[O-])c2)n[n-]1 ZINC001591279077 951112751 /nfs/dbraw/zinc/11/27/51/951112751.db2.gz GZNBQIIUQWWJMM-SECBINFHSA-N -2 0 362.342 0.936 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCc1cnccn1 ZINC001594891106 954526494 /nfs/dbraw/zinc/52/64/94/954526494.db2.gz SZRPJCIPZQTHSB-ZYHUDNBSSA-N -2 0 374.319 0.532 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001594659279 956518754 /nfs/dbraw/zinc/51/87/54/956518754.db2.gz HHOBOYDQYHFDTI-ZDUSSCGKSA-N -2 0 368.342 0.734 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1 ZINC001594659797 956522743 /nfs/dbraw/zinc/52/27/43/956522743.db2.gz KENZKNNGPWLQFL-NWDGAFQWSA-N -2 0 354.384 0.222 20 0 FCADRL CSCC[C@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1nnn[n-]1 ZINC001594186289 959131249 /nfs/dbraw/zinc/13/12/49/959131249.db2.gz IAXSDCSDUZIQQY-NSHDSACASA-N -2 0 351.388 0.887 20 0 FCADRL O=C([O-])CCN1CCN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000392100379 972409279 /nfs/dbraw/zinc/40/92/79/972409279.db2.gz ONYBBKGWANNZIB-UHFFFAOYSA-N -2 0 359.360 0.081 20 0 FCADRL CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)[N-]OC/C=C\Cl)C1 ZINC001588698521 960781074 /nfs/dbraw/zinc/78/10/74/960781074.db2.gz JMZBRXBRVOFRJA-ZRUQZJFASA-N -2 0 364.782 0.877 20 0 FCADRL COC(=O)CC[C@H](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C(=O)[O-] ZINC001574062889 962216306 /nfs/dbraw/zinc/21/63/06/962216306.db2.gz HCKCFIDAJBUOIY-LBPRGKRZSA-N -2 0 361.354 0.610 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(C)c2)on1 ZINC001574085513 962326136 /nfs/dbraw/zinc/32/61/36/962326136.db2.gz XGSVTDARBWDFHN-GFCCVEGCSA-N -2 0 354.340 0.874 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCc1cncnc1 ZINC001574647079 962390974 /nfs/dbraw/zinc/39/09/74/962390974.db2.gz LBFPQCUOIJTVLF-CMPLNLGQSA-N -2 0 374.319 0.532 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1cccs1 ZINC000319915476 970589516 /nfs/dbraw/zinc/58/95/16/970589516.db2.gz AVXZDHDWMGSYDF-JTQLQIEISA-N -2 0 362.429 0.895 20 0 FCADRL C[C@@H](CN(C)C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)c1nnn[n-]1 ZINC001609902273 970594123 /nfs/dbraw/zinc/59/41/23/970594123.db2.gz QLTPRCWSJAJRFT-GXFFZTMASA-N -2 0 357.374 0.481 20 0 FCADRL COc1cc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])on1 ZINC001604684771 973876391 /nfs/dbraw/zinc/87/63/91/973876391.db2.gz BANCCSXXMBGMOZ-MUWHJKNJSA-N -2 0 365.264 0.420 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001591858970 976152724 /nfs/dbraw/zinc/15/27/24/976152724.db2.gz MFEDSQMWXZJVJD-VHSXEESVSA-N -2 0 354.325 0.374 20 0 FCADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC001592359391 977840206 /nfs/dbraw/zinc/84/02/06/977840206.db2.gz FALCDLWILPXJQF-SECBINFHSA-N -2 0 354.384 0.877 20 0 FCADRL C[C@H](CN(C)C(=O)C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1)C(=O)[O-] ZINC001592564486 978459396 /nfs/dbraw/zinc/45/93/96/978459396.db2.gz YHAZMZQBTFRXKB-XIKOKIGWSA-N -2 0 362.382 0.420 20 0 FCADRL C[C@](CO)(CNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)CC(=O)[O-] ZINC001592728466 979236918 /nfs/dbraw/zinc/23/69/18/979236918.db2.gz GCIVRFDRVFMENO-CYBMUJFWSA-N -3 0 367.326 0.415 20 0 FCADRL C[C@@H](CO[N-]C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)NC(=O)OC(C)(C)C ZINC001592780940 979412839 /nfs/dbraw/zinc/41/28/39/979412839.db2.gz QASIDGQKJARYBH-WDEREUQCSA-N -2 0 373.406 0.271 20 0 FCADRL C[C@@H](NC(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001592979005 980143815 /nfs/dbraw/zinc/14/38/15/980143815.db2.gz GIRUGLIJEGBHNV-FOUMNBMASA-N -2 0 368.430 0.855 20 0 FCADRL C[C@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001592990559 980180478 /nfs/dbraw/zinc/18/04/78/980180478.db2.gz QFVKRYMAKSJSIX-LURJTMIESA-N -2 0 363.417 0.197 20 0 FCADRL C[C@](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)(C(=O)[O-])C1CC1 ZINC001593030689 980305996 /nfs/dbraw/zinc/30/59/96/980305996.db2.gz NBMMHZPUWLCKQK-CQSZACIVSA-N -2 0 362.354 0.613 20 0 FCADRL CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(=O)[O-] ZINC001595310101 980466304 /nfs/dbraw/zinc/46/63/04/980466304.db2.gz APTKERJXYSBYCC-SCSAIBSYSA-N -2 0 356.150 0.882 20 0 FCADRL CCC[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1)C(=O)[O-] ZINC001595609148 981618149 /nfs/dbraw/zinc/61/81/49/981618149.db2.gz PPCTUHOJNPTQES-ZYHUDNBSSA-N -2 0 361.372 0.286 20 0 FCADRL CCOC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])nc1 ZINC001596717922 984947336 /nfs/dbraw/zinc/94/73/36/984947336.db2.gz CGODIWQBETWCDB-BDAKNGLRSA-N -2 0 358.372 0.427 20 0 FCADRL CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])c(F)c2)CC1 ZINC001589066523 985202901 /nfs/dbraw/zinc/20/29/01/985202901.db2.gz OPUUTIRYFQKVMK-UHFFFAOYSA-N -2 0 372.374 0.594 20 0 FCADRL CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2c(C)[nH]c(C(=O)[O-])c2C)CC1 ZINC001589066845 985204190 /nfs/dbraw/zinc/20/41/90/985204190.db2.gz VWJFFQMGQDLHEZ-UHFFFAOYSA-N -2 0 371.415 0.400 20 0 FCADRL CC(=O)N1CCc2cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])ccc21 ZINC001589091484 985279943 /nfs/dbraw/zinc/27/99/43/985279943.db2.gz VIJOSAYCNKWCDA-ZJUUUORDSA-N -2 0 368.411 0.764 20 0 FCADRL CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001589137663 985441552 /nfs/dbraw/zinc/44/15/52/985441552.db2.gz MRLVCDDDZUSUIK-SNVBAGLBSA-N -2 0 372.399 0.126 20 0 FCADRL CCOC[C@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C(=O)[O-] ZINC001596946317 986093495 /nfs/dbraw/zinc/09/34/95/986093495.db2.gz IREUKXJMGJSWCX-QMMMGPOBSA-N -2 0 353.299 0.431 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])s2)[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC001594557072 986300278 /nfs/dbraw/zinc/30/02/78/986300278.db2.gz NIKUBLQNJZGMFP-DNSOKLHBSA-N -2 0 363.413 0.626 20 0 FCADRL C[C@@H](C(=O)NCCc1ccccc1)S(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001589409813 986605883 /nfs/dbraw/zinc/60/58/83/986605883.db2.gz JRXWOEITFJIYMT-JTQLQIEISA-N -2 0 351.384 0.629 20 0 FCADRL C[C@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])N(C(=O)OC(C)(C)C)C1CC1 ZINC001589422416 986665803 /nfs/dbraw/zinc/66/58/03/986665803.db2.gz GOWTZZBBHAFVPV-MRVPVSSYSA-N -2 0 350.393 0.305 20 0 FCADRL C[C@@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])N(C(=O)OC(C)(C)C)C1CC1 ZINC001589422417 986665868 /nfs/dbraw/zinc/66/58/68/986665868.db2.gz GOWTZZBBHAFVPV-QMMMGPOBSA-N -2 0 350.393 0.305 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001589450087 986835792 /nfs/dbraw/zinc/83/57/92/986835792.db2.gz AJUYRBVSDOWYGS-QJPTWQEYSA-N -2 0 368.411 0.595 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CN1C(=O)CCc2ccccc21 ZINC001589451482 986844632 /nfs/dbraw/zinc/84/46/32/986844632.db2.gz IJTLFLFYNSTBQZ-WDEREUQCSA-N -2 0 368.411 0.521 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)N1CCc2ccccc2C1 ZINC001589451514 986845582 /nfs/dbraw/zinc/84/55/82/986845582.db2.gz IUDYBFRXVXGCHO-AVGNSLFASA-N -2 0 368.455 0.988 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc2ccccc2oc1=O ZINC001589451956 986848043 /nfs/dbraw/zinc/84/80/43/986848043.db2.gz KFNJBJZKWGHYAM-DTWKUNHWSA-N -2 0 353.352 0.962 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1Br ZINC001589452783 986852552 /nfs/dbraw/zinc/85/25/52/986852552.db2.gz APKUSZRBRILAQZ-RITPCOANSA-N -2 0 368.209 0.351 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnc2)cc1 ZINC001589453470 986861307 /nfs/dbraw/zinc/86/13/07/986861307.db2.gz PKAXOLTWLJODPA-NXEZZACHSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1c(Cl)nn(C)c1Cl ZINC001589454372 986877549 /nfs/dbraw/zinc/87/75/49/986877549.db2.gz VKLLNCGOJAUNSU-WHFBIAKZSA-N -2 0 358.203 0.896 20 0 FCADRL C[C@@H]1Oc2ccccc2N(CCC(=O)[N-]S(=O)(=O)CCC(=O)[O-])C1=O ZINC001594653955 986881514 /nfs/dbraw/zinc/88/15/14/986881514.db2.gz ASMAKXAJAOCGCV-JTQLQIEISA-N -2 0 370.383 0.111 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(Br)n(C)n1 ZINC001589454846 986886576 /nfs/dbraw/zinc/88/65/76/986886576.db2.gz XQHVJLALFPWSNI-RITPCOANSA-N -2 0 368.209 0.351 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccnc(-n2ccnc2)c1 ZINC001589455334 986895425 /nfs/dbraw/zinc/89/54/25/986895425.db2.gz YHXCDAKQIPERGP-UWVGGRQHSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OC(F)F)cn1 ZINC001589455416 986897245 /nfs/dbraw/zinc/89/72/45/986897245.db2.gz ZZOMAZWTLZDIAZ-RQJHMYQMSA-N -2 0 352.315 0.852 20 0 FCADRL C[C@@H](C(=O)[O-])N(Cc1cccc(F)c1)S(=O)(=O)N(C)CCC(=O)[O-] ZINC001589486239 987025346 /nfs/dbraw/zinc/02/53/46/987025346.db2.gz BAJJPXBXROSCQW-JTQLQIEISA-N -2 0 362.379 0.752 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001589490687 987055651 /nfs/dbraw/zinc/05/56/51/987055651.db2.gz DPIQTCBAYMCKOC-ZCFIWIBFSA-N -2 0 351.283 0.470 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(NC(=O)C(C)(C)C)nc1 ZINC001589491812 987059485 /nfs/dbraw/zinc/05/94/85/987059485.db2.gz MWRAKFKYWDWPLN-QMMMGPOBSA-N -2 0 357.388 0.599 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC001589492345 987063498 /nfs/dbraw/zinc/06/34/98/987063498.db2.gz SOLBCADZSCEQTE-ZWNOBZJWSA-N -2 0 357.384 0.777 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CC1CCN(CC(F)(F)F)CC1 ZINC001589493553 987067790 /nfs/dbraw/zinc/06/77/90/987067790.db2.gz CXENZXDTZBVSPW-QMMMGPOBSA-N -2 0 360.354 0.570 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCc1nc(-c2cccs2)no1 ZINC001589494011 987069556 /nfs/dbraw/zinc/06/95/56/987069556.db2.gz HIONTGUZXFMQED-ZETCQYMHSA-N -2 0 359.385 0.650 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1CCC(NC(=O)C(C)(C)C)CC1 ZINC001589494760 987072537 /nfs/dbraw/zinc/07/25/37/987072537.db2.gz KZPICTOPZNULFZ-WHXUTIOJSA-N -2 0 362.448 0.627 20 0 FCADRL CCOc1ncccc1C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001597200364 987098597 /nfs/dbraw/zinc/09/85/97/987098597.db2.gz CKWFTWFXXXXRED-UHFFFAOYSA-N -2 0 357.369 0.754 20 0 FCADRL CCC(=O)C[C@@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C(=O)[O-] ZINC001594695961 987118199 /nfs/dbraw/zinc/11/81/99/987118199.db2.gz LOJRNBCMKPJALD-SECBINFHSA-N -2 0 365.310 0.764 20 0 FCADRL CCC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC)C(=O)[O-] ZINC001594696430 987121387 /nfs/dbraw/zinc/12/13/87/987121387.db2.gz RILLDAOLTXEXQC-JTQLQIEISA-N -2 0 359.356 0.494 20 0 FCADRL CCC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001594701677 987144034 /nfs/dbraw/zinc/14/40/34/987144034.db2.gz QRVPTCKWPXIOIP-SECBINFHSA-N -2 0 358.372 0.431 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001597231779 987191646 /nfs/dbraw/zinc/19/16/46/987191646.db2.gz YMPLPXVIVMFWKQ-GHMZBOCLSA-N -2 0 356.400 0.356 20 0 FCADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N[C@@H](CC(=O)[O-])C2CC2)n1 ZINC001589670998 987666238 /nfs/dbraw/zinc/66/62/38/987666238.db2.gz LUWOJKJELZNWGL-VIFPVBQESA-N -2 0 352.347 0.011 20 0 FCADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])n1 ZINC001589671256 987669005 /nfs/dbraw/zinc/66/90/05/987669005.db2.gz VQLZSEGITRSKMJ-VIFPVBQESA-N -2 0 352.347 0.107 20 0 FCADRL CCc1c(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cnn1-c1ccc(OC)cc1 ZINC001597410686 987694593 /nfs/dbraw/zinc/69/45/93/987694593.db2.gz DHHJZTNLXGUQQK-UHFFFAOYSA-N -2 0 367.383 0.588 20 0 FCADRL CCc1c(C(=O)[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)cnn1C ZINC001597411034 987698792 /nfs/dbraw/zinc/69/87/92/987698792.db2.gz VJIUUOHIMBHQQY-UHFFFAOYSA-N -2 0 369.374 0.867 20 0 FCADRL CCc1ccccc1-n1cc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])nn1 ZINC001597603805 988474353 /nfs/dbraw/zinc/47/43/53/988474353.db2.gz UNSAQVLEPQBTJM-UHFFFAOYSA-N -2 0 352.372 0.364 20 0 FCADRL CC(C)(C)OC(=O)N(CCC(=O)[N-]S(=O)(=O)CCC(=O)[O-])C1CC1 ZINC001589906046 988620106 /nfs/dbraw/zinc/62/01/06/988620106.db2.gz UKYBRFODDCRTLY-UHFFFAOYSA-N -2 0 364.420 0.697 20 0 FCADRL CCc1nc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cn1CC1CC1 ZINC001597689020 988855283 /nfs/dbraw/zinc/85/52/83/988855283.db2.gz BDXXOHNBKKZPFS-UHFFFAOYSA-N -2 0 353.404 0.937 20 0 FCADRL C[C@@H](NS(=O)(=O)c1sc(C(=O)[O-])cc1Br)C(=O)[O-] ZINC001599842511 988868130 /nfs/dbraw/zinc/86/81/30/988868130.db2.gz QWQVBCNRRULSNA-GSVOUGTGSA-N -2 0 358.191 0.960 20 0 FCADRL C[C@@H](OC(C)(C)C)[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(=O)[O-] ZINC001599847383 988956969 /nfs/dbraw/zinc/95/69/69/988956969.db2.gz RYZYQTXPHQBDMB-KCJUWKMLSA-N -2 0 360.388 0.715 20 0 FCADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001597717585 988987187 /nfs/dbraw/zinc/98/71/87/988987187.db2.gz FPQIZBNTDWBGBR-UHFFFAOYSA-N -2 0 354.388 0.690 20 0 FCADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCC(OCC(=O)[O-])CC1 ZINC001597778133 989255515 /nfs/dbraw/zinc/25/55/15/989255515.db2.gz PGWQPQOUPGUBBR-UHFFFAOYSA-N -2 0 361.372 0.795 20 0 FCADRL CCn1c(=O)[nH]c2ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])cc21 ZINC001597835423 989515001 /nfs/dbraw/zinc/51/50/01/989515001.db2.gz GKOYVUHLYOGRJW-RKDXNWHRSA-N -2 0 369.399 0.931 20 0 FCADRL CCn1cc(CC(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)cn1 ZINC001597884560 989721430 /nfs/dbraw/zinc/72/14/30/989721430.db2.gz QFIHJLADXGCDSZ-UHFFFAOYSA-N -2 0 351.384 0.790 20 0 FCADRL CC(C)(C)OC[C@H](NS(=O)(=O)c1ccc(CC(=O)[O-])s1)C(=O)[O-] ZINC001590389360 989914834 /nfs/dbraw/zinc/91/48/34/989914834.db2.gz STRKCXOOCBPLRZ-VIFPVBQESA-N -2 0 365.429 0.922 20 0 FCADRL CN(C(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597981473 990044815 /nfs/dbraw/zinc/04/48/15/990044815.db2.gz CIBVWSCLPSTWOY-BARDWOONSA-N -2 0 374.393 0.635 20 0 FCADRL CN(C)C(=O)c1cc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])ccc1Cl ZINC001598151214 990629712 /nfs/dbraw/zinc/62/97/12/990629712.db2.gz BRDXCDVNCQMTSN-UHFFFAOYSA-N -2 0 371.777 0.893 20 0 FCADRL CN(C)C(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001598151526 990633209 /nfs/dbraw/zinc/63/32/09/990633209.db2.gz QKALVLBIZCGHKE-UHFFFAOYSA-N -2 0 370.362 0.609 20 0 FCADRL COc1ncc(/C=C\C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cn1 ZINC001599736466 991782882 /nfs/dbraw/zinc/78/28/82/991782882.db2.gz VQZGSGRGRAXUKO-RQOWECAXSA-N -2 0 369.380 0.763 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)Nc1cc2c(cc1C(=O)[O-])OCCO2 ZINC001598470070 992013070 /nfs/dbraw/zinc/01/30/70/992013070.db2.gz CJXSHCYIGMXBDF-UHFFFAOYSA-N -2 0 360.344 0.219 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1F ZINC001598470944 992024649 /nfs/dbraw/zinc/02/46/49/992024649.db2.gz DDSZDYSGLUPWGO-LLVKDONJSA-N -2 0 352.315 0.331 20 0 FCADRL CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)c1 ZINC001599760037 992107922 /nfs/dbraw/zinc/10/79/22/992107922.db2.gz JGBAMSAXFNXMKC-UHFFFAOYSA-N -2 0 371.396 0.952 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccnc2)cn1 ZINC001599760277 992112067 /nfs/dbraw/zinc/11/20/67/992112067.db2.gz JKVSWXRCNAFXBZ-GFCCVEGCSA-N -2 0 350.356 0.404 20 0 FCADRL CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cn2)c1 ZINC001599773149 992269621 /nfs/dbraw/zinc/26/96/21/992269621.db2.gz VMJZRXUULJQLLP-UHFFFAOYSA-N -2 0 356.381 0.984 20 0 FCADRL CS(=O)(=O)c1ccnc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC001599773423 992273172 /nfs/dbraw/zinc/27/31/72/992273172.db2.gz BQVHWRDGFPDAPK-UHFFFAOYSA-N -2 0 370.408 0.913 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)cc1=O ZINC001591497801 992635553 /nfs/dbraw/zinc/63/55/53/992635553.db2.gz JBSHTPGZTJQTKH-GFCCVEGCSA-N -2 0 362.390 0.138 20 0 FCADRL CN1C(=O)CN([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])C1=O ZINC001598551818 993012217 /nfs/dbraw/zinc/01/22/17/993012217.db2.gz APDVHCYFQNNNQB-UHFFFAOYSA-N -2 0 369.380 0.687 20 0 FCADRL COc1ccc(OC)c(CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1 ZINC001599603739 993854239 /nfs/dbraw/zinc/85/42/39/993854239.db2.gz WJGWPJLHHGEFPH-UHFFFAOYSA-N -2 0 359.400 0.803 20 0 FCADRL COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)[C@H]2C(=O)[O-])cc1C(=O)[O-] ZINC001599609631 993934507 /nfs/dbraw/zinc/93/45/07/993934507.db2.gz MEGNMQFMNDDXLH-RWEMILLDSA-N -2 0 373.383 0.645 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1CC(=O)[O-] ZINC001599617889 994041541 /nfs/dbraw/zinc/04/15/41/994041541.db2.gz KQVQJIDDALOYLR-UHFFFAOYSA-N -3 0 369.355 0.404 20 0 FCADRL COc1ccc2c(c1)OC[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C2 ZINC001599629368 994194959 /nfs/dbraw/zinc/19/49/59/994194959.db2.gz DICFKBYOYADINV-LLVKDONJSA-N -2 0 371.411 0.803 20 0 FCADRL CNC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2C)cc1 ZINC001598659778 994577282 /nfs/dbraw/zinc/57/72/82/994577282.db2.gz VWYXXXGYRYQOEH-UHFFFAOYSA-N -2 0 352.372 0.437 20 0 FCADRL CNC(=O)c1cccc(CCC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1 ZINC001598660231 994583632 /nfs/dbraw/zinc/58/36/32/994583632.db2.gz ONGGCUOZYULFIT-UHFFFAOYSA-N -2 0 370.427 0.536 20 0 FCADRL COc1cccc(OC)c1CC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-] ZINC001599681062 994981597 /nfs/dbraw/zinc/98/15/97/994981597.db2.gz YZIUAYYJNVYPEZ-VHSXEESVSA-N -2 0 359.400 0.802 20 0 FCADRL COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001598693717 995102859 /nfs/dbraw/zinc/10/28/59/995102859.db2.gz FWZBTDKMTPRSOA-VIFPVBQESA-N -2 0 365.747 0.333 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccn(C)n1 ZINC001598714383 995387299 /nfs/dbraw/zinc/38/72/99/995387299.db2.gz RYYHVMPZAZHPJB-GFCCVEGCSA-N -2 0 353.356 0.311 20 0 FCADRL C[C@@H](c1ccccc1)[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC001593706861 996198784 /nfs/dbraw/zinc/19/87/84/996198784.db2.gz OPNVVPLRTUHVMI-FZMZJTMJSA-N -2 0 370.427 0.874 20 0 FCADRL COC(=O)[C@H]1CN(C(=O)c2ncc(Br)cc2[O-])C[C@H]1C(=O)[O-] ZINC001598819324 996306743 /nfs/dbraw/zinc/30/67/43/996306743.db2.gz BKTPDUIDFMBSMD-SFYZADRCSA-N -2 0 373.159 0.496 20 0 FCADRL C[C@@]1(Br)C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001593739768 996354279 /nfs/dbraw/zinc/35/42/79/996354279.db2.gz KTQWJFZQIQNXQG-LHLIQPBNSA-N -2 0 352.162 0.956 20 0 FCADRL C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)C1 ZINC001593783671 996497185 /nfs/dbraw/zinc/49/71/85/996497185.db2.gz PUCZYPCMQIOLGB-RBUKOAKNSA-N -2 0 374.393 0.565 20 0 FCADRL COC(=O)C[C@@H](NS(=O)(=O)c1cc(F)c(C)c(C(=O)[O-])c1)C(=O)[O-] ZINC001598840641 996522529 /nfs/dbraw/zinc/52/25/29/996522529.db2.gz UJQSRADUZMEWMM-SNVBAGLBSA-N -2 0 363.319 0.127 20 0 FCADRL COC(=O)CC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])s1)C(=O)[O-] ZINC001598857467 996649965 /nfs/dbraw/zinc/64/99/65/996649965.db2.gz SVDAUXTUXYRALJ-ZCFIWIBFSA-N -2 0 351.358 0.131 20 0 FCADRL COCc1c(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cnn1-c1ccccc1 ZINC001599278321 996848081 /nfs/dbraw/zinc/84/80/81/996848081.db2.gz MFLFTNKMVGHOOT-UHFFFAOYSA-N -2 0 353.356 0.163 20 0 FCADRL COC1(C(=O)[O-])CCN(S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC001599079108 996952910 /nfs/dbraw/zinc/95/29/10/996952910.db2.gz OPULHKZVUAPDAT-UHFFFAOYSA-N -2 0 350.374 0.096 20 0 FCADRL COC1(C[C@H](NS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C(=O)[O-])CCC1 ZINC001599088274 997140540 /nfs/dbraw/zinc/14/05/40/997140540.db2.gz INCBGORRWYRTRH-WOPDTQHZSA-N -2 0 363.432 0.962 20 0 FCADRL COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001599192218 997142142 /nfs/dbraw/zinc/14/21/42/997142142.db2.gz KZDCGKLXZHZVBK-CQSZACIVSA-N -2 0 357.388 0.159 20 0 FCADRL COCC1(C(=O)[O-])CCN(S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC001599194602 997192708 /nfs/dbraw/zinc/19/27/08/997192708.db2.gz LDPUHHBSVFGXDE-UHFFFAOYSA-N -2 0 364.401 0.343 20 0 FCADRL COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)C1 ZINC001599195437 997205599 /nfs/dbraw/zinc/20/55/99/997205599.db2.gz RGCCGMKNLCWPAM-HNNXBMFYSA-N -2 0 357.384 0.426 20 0 FCADRL COc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ncc[n-]2)cc1OC ZINC001599514668 997361323 /nfs/dbraw/zinc/36/13/23/997361323.db2.gz FYXGEYHLIZPMOR-JTQLQIEISA-N -2 0 355.372 0.921 20 0 FCADRL COC(=O)c1c[nH]c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(OC)nc1 ZINC001598917262 997496460 /nfs/dbraw/zinc/49/64/60/997496460.db2.gz MLNMOPCTDGNLBC-UHFFFAOYSA-N -2 0 355.328 0.704 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NC2(C(=O)[O-])CCCC2)c1 ZINC001598921166 997566903 /nfs/dbraw/zinc/56/69/03/997566903.db2.gz AJGVFXOBFDXOSG-UHFFFAOYSA-N -2 0 371.367 0.847 20 0 FCADRL CO[N-]C(=O)CNC(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001599320736 997576880 /nfs/dbraw/zinc/57/68/80/997576880.db2.gz PLZAHBGFUIOGPT-UHFFFAOYSA-N -2 0 360.164 0.624 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC001598923247 997607112 /nfs/dbraw/zinc/60/71/12/997607112.db2.gz ZIZANGHYCDWAOP-UHFFFAOYSA-N -2 0 373.383 0.951 20 0 FCADRL COCC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)C(=O)[O-] ZINC001599218221 997619480 /nfs/dbraw/zinc/61/94/80/997619480.db2.gz GSFWBMWBGCAEPN-VIFPVBQESA-N -2 0 351.764 0.806 20 0 FCADRL COCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1)C(=O)[O-] ZINC001599219663 997644185 /nfs/dbraw/zinc/64/41/85/997644185.db2.gz WNOYHQFJIYQASJ-SSDOTTSWSA-N -2 0 355.752 0.488 20 0 FCADRL CO[C@@H]1CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)[C@](C)(C(=O)[O-])C1 ZINC001599132770 997980331 /nfs/dbraw/zinc/98/03/31/997980331.db2.gz ZUNOHRKRTSSFOD-PWJLMRLQSA-N -2 0 362.342 0.449 20 0 FCADRL COC(=O)c1cc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)cc(C(=O)[O-])c1 ZINC001598944361 998030614 /nfs/dbraw/zinc/03/06/14/998030614.db2.gz PZGQFVGGDJLZOW-NSHDSACASA-N -2 0 352.299 0.489 20 0 FCADRL CO[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)[C@](C)(C(=O)[O-])C1 ZINC001599136563 998054193 /nfs/dbraw/zinc/05/41/93/998054193.db2.gz KCTNCSQBWZAWMM-OTYXRUKQSA-N -2 0 361.347 0.777 20 0 FCADRL CO[C@H]1CN(S(=O)(=O)Cc2ccccc2C(=O)[O-])[C@@](C)(C(=O)[O-])C1 ZINC001599136818 998058014 /nfs/dbraw/zinc/05/80/14/998058014.db2.gz UFCKAYFHJLVYTR-IAQYHMDHSA-N -2 0 357.384 0.779 20 0 FCADRL CO[C@H]1COCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001599138982 998094149 /nfs/dbraw/zinc/09/41/49/998094149.db2.gz MSSGUAOCGZCJFT-IUCAKERBSA-N -2 0 363.413 0.693 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-][C@@](C)(C(=O)[O-])c2ccccc2)on1 ZINC001598951404 998159824 /nfs/dbraw/zinc/15/98/24/998159824.db2.gz SDDAXLAIIINZDC-CQSZACIVSA-N -2 0 354.340 0.740 20 0 FCADRL COc1cc(S(=O)(=O)N(CC(=O)[O-])C(C)C)cc(C(=O)[O-])c1OC ZINC001599457536 998213575 /nfs/dbraw/zinc/21/35/75/998213575.db2.gz IBGJFJFJJGRPDA-UHFFFAOYSA-N -2 0 361.372 0.886 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)NCC[C@@H](C)C(=O)[O-])c(C(=O)[O-])s1 ZINC001598954858 998221200 /nfs/dbraw/zinc/22/12/00/998221200.db2.gz OLZJPCFTPMJUDS-ZCFIWIBFSA-N -2 0 365.385 0.622 20 0 FCADRL COC(=O)c1cc2c(cc1NC(=O)C(=O)[N-]OCCCC(=O)[O-])OCO2 ZINC001598957501 998269638 /nfs/dbraw/zinc/26/96/38/998269638.db2.gz GNGVFDRLPMDMJY-UHFFFAOYSA-N -2 0 368.298 0.053 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)c1 ZINC001598964393 998389188 /nfs/dbraw/zinc/38/91/88/998389188.db2.gz XCVFFLSONRTYIU-WPRPVWTQSA-N -2 0 369.351 0.479 20 0 FCADRL C[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001594137917 998397934 /nfs/dbraw/zinc/39/79/34/998397934.db2.gz ZALBDRIVXRHTIF-IUCAKERBSA-N -2 0 350.393 0.163 20 0 FCADRL COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001599371621 998419535 /nfs/dbraw/zinc/41/95/35/998419535.db2.gz SMZZVVNIRLXHED-NSHDSACASA-N -2 0 352.343 0.947 20 0 FCADRL COc1ccc(-n2cc([O-])c(C(=O)NC[C@@]3(C(=O)[O-])CCOC3)n2)cc1 ZINC001599473334 998486136 /nfs/dbraw/zinc/48/61/36/998486136.db2.gz CHZKFCRLCUMZCB-KRWDZBQOSA-N -2 0 361.354 0.808 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](CC(=O)[O-])C1 ZINC001598969748 998492004 /nfs/dbraw/zinc/49/20/04/998492004.db2.gz YMQMCGOGAHHREY-VIFPVBQESA-N -2 0 371.367 0.657 20 0 FCADRL C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001594147496 998494546 /nfs/dbraw/zinc/49/45/46/998494546.db2.gz PPBDIPHPDFNEMQ-DTWKUNHWSA-N -2 0 362.354 0.565 20 0 FCADRL COc1ccc(C(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1 ZINC001599478110 998565278 /nfs/dbraw/zinc/56/52/78/998565278.db2.gz HGCWFKRJGUXKPX-ZJUUUORDSA-N -2 0 357.384 0.823 20 0 FCADRL COC(=O)c1ccc(NC(=O)C[C@@]2(C(=O)[O-])CCOC2)cc1C(=O)[O-] ZINC001598978931 998634682 /nfs/dbraw/zinc/63/46/82/998634682.db2.gz NDVSSNWESNHPQF-INIZCTEOSA-N -2 0 351.311 0.991 20 0 FCADRL COC(=O)c1nscc1S(=O)(=O)[N-]c1cnn(C(C)(C)C(=O)[O-])c1 ZINC001599017621 998952206 /nfs/dbraw/zinc/95/22/06/998952206.db2.gz NFKYDDRUUBIIBW-UHFFFAOYSA-N -2 0 374.400 0.747 20 0 FCADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)NCC[C@@H](C)C(=O)[O-] ZINC001599018764 998961167 /nfs/dbraw/zinc/96/11/67/998961167.db2.gz OUWSASZBKVQFQA-ZCFIWIBFSA-N -2 0 365.385 0.622 20 0 FCADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-] ZINC001599019720 998968541 /nfs/dbraw/zinc/96/85/41/998968541.db2.gz RJJYZMJHEOITIA-YFKPBYRVSA-N -2 0 351.358 0.327 20 0 FCADRL CO[C@@H](C(=O)[O-])C(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001599025841 999015362 /nfs/dbraw/zinc/01/53/62/999015362.db2.gz GTEGCFULAOQHSX-CHWSQXEVSA-N -2 0 370.789 0.710 20 0 FCADRL COC(C)(C)c1nc(C)c(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])s1 ZINC001599034761 999075159 /nfs/dbraw/zinc/07/51/59/999075159.db2.gz HYGVUPLUQSTUGW-ZETCQYMHSA-N -2 0 350.418 0.866 20 0 FCADRL CO[C@H](CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)CC(=O)[O-] ZINC001599055833 999228950 /nfs/dbraw/zinc/22/89/50/999228950.db2.gz RPWHHQSZIFJYQB-ZETCQYMHSA-N -2 0 351.764 0.806 20 0 FCADRL C[C@@H]1CCCc2ncc(C(=O)[N-]S(=O)(=O)N3CCC(C(=O)[O-])CC3)n21 ZINC001594389306 999474805 /nfs/dbraw/zinc/47/48/05/999474805.db2.gz UVFQSTQLIKRBHO-SNVBAGLBSA-N -2 0 370.431 0.552 20 0 FCADRL C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC[C@H]1C(=O)[O-] ZINC001594459893 999671496 /nfs/dbraw/zinc/67/14/96/999671496.db2.gz YQNFIEMDDXRVMV-JOYOIKCWSA-N -2 0 366.345 0.961 20 0 FCADRL CCOC(=O)c1ccc(CS(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000296913605 214370194 /nfs/dbraw/zinc/37/01/94/214370194.db2.gz KDSASWOVIRRGCN-LBPRGKRZSA-N -2 0 373.383 0.458 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-] ZINC000297001988 214373556 /nfs/dbraw/zinc/37/35/56/214373556.db2.gz QZRCRJOEPKMTHE-RXMQYKEDSA-N -2 0 363.735 0.330 20 0 FCADRL CO[C@@H](CS(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1)c1ccccc1 ZINC000297106721 214379893 /nfs/dbraw/zinc/37/98/93/214379893.db2.gz ZQOOASOOFDBNLS-XJKSGUPXSA-N -2 0 371.411 0.955 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2ccn(CC(=O)N(C)C)n2)ccc1C(=O)[O-] ZINC000285017672 213267636 /nfs/dbraw/zinc/26/76/36/213267636.db2.gz GVMARMFWUVLQOL-UHFFFAOYSA-N -2 0 366.399 0.779 20 0 FCADRL O=C([O-])CCC[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)[O-] ZINC000278840445 212491991 /nfs/dbraw/zinc/49/19/91/212491991.db2.gz ZTCWCGBHWMXESN-GFCCVEGCSA-N -2 0 368.367 0.927 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)C2=Cc3ccccc3OC2)CC[C@@H]1C(=O)[O-] ZINC000277365236 212353790 /nfs/dbraw/zinc/35/37/90/212353790.db2.gz YVYCMVBJXXAOLP-STQMWFEESA-N -2 0 367.379 0.857 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-] ZINC000275264803 211995019 /nfs/dbraw/zinc/99/50/19/211995019.db2.gz MPCYIAPVMQSLFY-BYPYZUCNSA-N -2 0 362.307 0.614 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC000275152689 211970839 /nfs/dbraw/zinc/97/08/39/211970839.db2.gz RXMSWODVRVPZLY-QWRGUYRKSA-N -2 0 373.383 0.500 20 0 FCADRL CC1(C)Cc2cccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c2O1 ZINC000374416431 217127027 /nfs/dbraw/zinc/12/70/27/217127027.db2.gz RKPMQMJYDWYAGB-JTQLQIEISA-N -2 0 357.384 0.854 20 0 FCADRL CCn1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(C(N)=O)n1 ZINC000430976134 247744667 /nfs/dbraw/zinc/74/46/67/247744667.db2.gz FAHMDMPHACNPQM-UHFFFAOYSA-N -2 0 366.399 0.820 20 0 FCADRL CCn1cnc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)c1 ZINC000485039638 250561280 /nfs/dbraw/zinc/56/12/80/250561280.db2.gz DLXVKJYHOZROGM-UHFFFAOYSA-N -2 0 373.412 0.806 20 0 FCADRL Cc1ccc(Br)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000105784682 208204040 /nfs/dbraw/zinc/20/40/40/208204040.db2.gz RIABTSPOVHREBC-QMMMGPOBSA-N -2 0 366.189 0.964 20 0 FCADRL CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000287712547 488897057 /nfs/dbraw/zinc/89/70/57/488897057.db2.gz YCJVYBHGLVWPHB-SCZZXKLOSA-N -2 0 368.371 0.310 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(F)c1 ZINC000324715505 488906641 /nfs/dbraw/zinc/90/66/41/488906641.db2.gz CCMRFRVQRGYSBP-JTQLQIEISA-N -2 0 362.335 0.380 20 0 FCADRL Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1C ZINC000324208901 488905007 /nfs/dbraw/zinc/90/50/07/488905007.db2.gz OVCCTKCTUXZMRC-SNVBAGLBSA-N -2 0 360.344 0.808 20 0 FCADRL Cc1ccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc1C(N)=O ZINC000326226146 488913873 /nfs/dbraw/zinc/91/38/73/488913873.db2.gz UEHUXURRWXLGKY-LLVKDONJSA-N -2 0 358.372 0.080 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2OCCC(N)=O)cc1C(=O)[O-] ZINC000326935551 488917490 /nfs/dbraw/zinc/91/74/90/488917490.db2.gz WDIGHIZOEFSVTM-UHFFFAOYSA-N -2 0 367.383 0.778 20 0 FCADRL CC(=O)N1CCCc2cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])ccc21 ZINC000327367386 488919225 /nfs/dbraw/zinc/91/92/25/488919225.db2.gz KKZUTLLGGQNWHZ-GFCCVEGCSA-N -2 0 370.383 0.192 20 0 FCADRL COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)[C@@H]1CCCO1 ZINC000055590233 488244709 /nfs/dbraw/zinc/24/47/09/488244709.db2.gz LRGLHYSKJYFOLW-PZBABLGHSA-N -2 0 370.383 0.282 20 0 FCADRL COCCCn1c(=O)c2ccc(C(=O)N(C)CC(=O)[O-])cc2[n-]c1=S ZINC000269125051 488471490 /nfs/dbraw/zinc/47/14/90/488471490.db2.gz JFTOJYYUJPDMAR-UHFFFAOYSA-N -2 0 365.411 0.878 20 0 FCADRL COCCCn1c(=O)c2ccc(C(=O)NCC(=O)[O-])cc2[n-]c1=S ZINC000269128657 488471848 /nfs/dbraw/zinc/47/18/48/488471848.db2.gz KFWLLUCFCXTLKP-UHFFFAOYSA-N -2 0 351.384 0.536 20 0 FCADRL COc1cc(C(=O)N(C)CCC(=O)[O-])cc([N-]S(C)(=O)=O)c1OC ZINC000262730048 488588557 /nfs/dbraw/zinc/58/85/57/488588557.db2.gz BZIICPCPEANUJQ-UHFFFAOYSA-N -2 0 360.388 0.622 20 0 FCADRL CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262924613 488599537 /nfs/dbraw/zinc/59/95/37/488599537.db2.gz VXVFCWDPZDFCQC-ZDUSSCGKSA-N -2 0 356.400 0.764 20 0 FCADRL CC(=O)NCCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)[C@H](C)C(=O)[O-] ZINC000263421140 488611333 /nfs/dbraw/zinc/61/13/33/488611333.db2.gz LEWDRGDHCLPCKC-SCZZXKLOSA-N -2 0 369.340 0.127 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1Cl ZINC000274918467 488743593 /nfs/dbraw/zinc/74/35/93/488743593.db2.gz MJMMWCSPAKRPSO-VIFPVBQESA-N -2 0 365.747 0.333 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])ccc1C ZINC000274937312 488745648 /nfs/dbraw/zinc/74/56/48/488745648.db2.gz FQKRKKOCRDVEMG-SECBINFHSA-N -2 0 359.356 0.235 20 0 FCADRL CN(Cc1c(F)cccc1Cl)S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-] ZINC000274942948 488746217 /nfs/dbraw/zinc/74/62/17/488746217.db2.gz RGTKVAQYWPYTIF-SNVBAGLBSA-N -2 0 368.770 0.673 20 0 FCADRL CCCOC(=O)c1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000274952285 488747349 /nfs/dbraw/zinc/74/73/49/488747349.db2.gz IBWGHNZKVQEYOQ-NSHDSACASA-N -2 0 373.383 0.707 20 0 FCADRL Cc1cc(Br)ccc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-] ZINC000274951907 488747452 /nfs/dbraw/zinc/74/74/52/488747452.db2.gz STBXFPYGFWIMOL-MRVPVSSYSA-N -2 0 366.189 0.964 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-] ZINC000274963465 488748548 /nfs/dbraw/zinc/74/85/48/488748548.db2.gz JKACDQYKYVGRIC-QMMMGPOBSA-N -2 0 374.346 0.164 20 0 FCADRL Cc1cc(Br)ccc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-] ZINC000274973431 488749351 /nfs/dbraw/zinc/74/93/51/488749351.db2.gz KSNFEIYAMSFMPL-UHFFFAOYSA-N -2 0 366.189 0.917 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)C1=Cc2ccccc2OCC1)C(=O)[O-] ZINC000274975151 488749773 /nfs/dbraw/zinc/74/97/73/488749773.db2.gz KXJZTWDIMPXBHF-LLVKDONJSA-N -2 0 355.368 0.905 20 0 FCADRL CC1(c2ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc2)OCCO1 ZINC000274982695 488750733 /nfs/dbraw/zinc/75/07/33/488750733.db2.gz XXZLONGYFZWENL-LLVKDONJSA-N -2 0 359.356 0.112 20 0 FCADRL CCC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000274991257 488751501 /nfs/dbraw/zinc/75/15/01/488751501.db2.gz MTVWOBFFISUMDO-SECBINFHSA-N -2 0 358.372 0.489 20 0 FCADRL CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])ccc21 ZINC000267006830 488752614 /nfs/dbraw/zinc/75/26/14/488752614.db2.gz KENQWKGDOAUMDW-LBPRGKRZSA-N -2 0 370.383 0.192 20 0 FCADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-] ZINC000275016726 488753481 /nfs/dbraw/zinc/75/34/81/488753481.db2.gz QXVBEMCXZCWCGO-VIFPVBQESA-N -2 0 374.371 0.107 20 0 FCADRL C[C@H](CCCC(=O)[O-])NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000275020838 488753781 /nfs/dbraw/zinc/75/37/81/488753781.db2.gz RPVPCYOLAAMYPX-SSDOTTSWSA-N -2 0 356.360 0.358 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)C[C@@H]1C(=O)[O-] ZINC000275068405 488758473 /nfs/dbraw/zinc/75/84/73/488758473.db2.gz GNNXGSGPGFPYGZ-SCZZXKLOSA-N -2 0 353.356 0.359 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1OC ZINC000275070174 488758699 /nfs/dbraw/zinc/75/86/99/488758699.db2.gz GWCWWICFJHQMTF-QWRGUYRKSA-N -2 0 373.383 0.500 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1F ZINC000275084457 488760213 /nfs/dbraw/zinc/76/02/13/488760213.db2.gz JENHZRDPZYOJMW-ZJUUUORDSA-N -2 0 361.347 0.630 20 0 FCADRL O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000275103681 488761903 /nfs/dbraw/zinc/76/19/03/488761903.db2.gz QWDSXCRJTNLWNG-QMMMGPOBSA-N -2 0 374.159 0.841 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cc1F ZINC000275126667 488764456 /nfs/dbraw/zinc/76/44/56/488764456.db2.gz OSVLYWNWWRMFEX-AWEZNQCLSA-N -2 0 361.347 0.774 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cc1C ZINC000275187915 488770313 /nfs/dbraw/zinc/77/03/13/488770313.db2.gz XKCRNWMSYXBQRQ-HNNXBMFYSA-N -2 0 357.384 0.944 20 0 FCADRL C[C@H]1Cc2cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc(Cl)c2O1 ZINC000275190494 488770686 /nfs/dbraw/zinc/77/06/86/488770686.db2.gz FMBQAHUOJBRXTH-QUBYGPBYSA-N -2 0 363.775 0.870 20 0 FCADRL O=C([O-])[C@@H]1CCCCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000275277196 488779365 /nfs/dbraw/zinc/77/93/65/488779365.db2.gz KQHNKPSCYAMJKB-JTQLQIEISA-N -2 0 368.371 0.454 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccncc2C(=O)OC)ccc1O ZINC000555139592 491239677 /nfs/dbraw/zinc/23/96/77/491239677.db2.gz GHJXUFBFXLDNJM-UHFFFAOYSA-N -2 0 366.351 0.583 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cn1 ZINC000298834778 489371452 /nfs/dbraw/zinc/37/14/52/489371452.db2.gz BLWNGSCCVXNEDO-UHFFFAOYSA-N -2 0 366.399 0.745 20 0 FCADRL Cc1ccc(-n2[n-]nnc2=N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cc1 ZINC000416448588 489594067 /nfs/dbraw/zinc/59/40/67/489594067.db2.gz UIYJOANWRQVVFM-UONOGXRCSA-N -2 0 358.402 0.515 20 0 FCADRL C[C@@H](C(=O)[O-])N(C)C(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C)c1 ZINC000427974651 489631717 /nfs/dbraw/zinc/63/17/17/489631717.db2.gz FZLYQXHRTVDCRG-QMMMGPOBSA-N -2 0 372.428 0.828 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cn1 ZINC000462389365 489973307 /nfs/dbraw/zinc/97/33/07/489973307.db2.gz NWFBCHBMKZNZFS-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1cccc2c1OC(F)(F)O2)C(=O)[O-] ZINC000564183689 491292602 /nfs/dbraw/zinc/29/26/02/491292602.db2.gz XSMVBGXSRLRFLU-ZCFIWIBFSA-N -2 0 367.282 0.462 20 0 FCADRL C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000479190232 490072000 /nfs/dbraw/zinc/07/20/00/490072000.db2.gz NOWLLCIIOHFBPH-VIFPVBQESA-N -2 0 350.418 0.078 20 0 FCADRL CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000479182578 490072083 /nfs/dbraw/zinc/07/20/83/490072083.db2.gz GVYDWJOEIVVWMM-SNVBAGLBSA-N -2 0 362.429 0.223 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC(=O)N(C)C)c2)ccc1C(=O)[O-] ZINC000506670076 490122855 /nfs/dbraw/zinc/12/28/55/490122855.db2.gz SPPUBABHPINEAV-UHFFFAOYSA-N -2 0 366.399 0.779 20 0 FCADRL Cc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000390735621 490137637 /nfs/dbraw/zinc/13/76/37/490137637.db2.gz PLUXYBJSPSRBPL-UHFFFAOYSA-N -2 0 359.385 0.470 20 0 FCADRL CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000392171296 490148679 /nfs/dbraw/zinc/14/86/79/490148679.db2.gz ZZCBTKRNBLPSQD-UHFFFAOYSA-N -2 0 374.396 0.995 20 0 FCADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000533690889 490274360 /nfs/dbraw/zinc/27/43/60/490274360.db2.gz XEFAGQKCIZYTCT-UHFFFAOYSA-N -2 0 371.346 0.771 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1cnn(-c2ccccc2)c1)C(=O)[O-] ZINC000547592143 490325752 /nfs/dbraw/zinc/32/57/52/490325752.db2.gz SRJGMNVEXWOBHD-LBPRGKRZSA-N -2 0 353.356 0.469 20 0 FCADRL N#Cc1ccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)c(F)c1 ZINC000547598104 490327860 /nfs/dbraw/zinc/32/78/60/490327860.db2.gz FDGATNFXDGEHHH-AWEZNQCLSA-N -2 0 356.331 0.637 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])o1 ZINC000547609479 490329956 /nfs/dbraw/zinc/32/99/56/490329956.db2.gz KFPZHMZKMWPXAJ-ZDUSSCGKSA-N -2 0 363.344 0.300 20 0 FCADRL C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc21 ZINC000547900588 490382031 /nfs/dbraw/zinc/38/20/31/490382031.db2.gz WPZMVKXVCSWVSY-JGVFFNPUSA-N -2 0 356.356 0.196 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2F)C[C@@H]1C(=O)[O-] ZINC000547918963 490385837 /nfs/dbraw/zinc/38/58/37/490385837.db2.gz SLDQPYMRNNPADD-MNOVXSKESA-N -2 0 363.338 0.902 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc1C ZINC000547933976 490390466 /nfs/dbraw/zinc/39/04/66/490390466.db2.gz WVOIMQDJQFTJTD-OAHLLOKOSA-N -2 0 373.383 0.626 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])s1 ZINC000547938118 490392567 /nfs/dbraw/zinc/39/25/67/490392567.db2.gz VCQGIMBVKUQSCX-LBPRGKRZSA-N -2 0 365.385 0.379 20 0 FCADRL O=C([O-])[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000564730374 491323070 /nfs/dbraw/zinc/32/30/70/491323070.db2.gz ZRFDXOJZFJIXSE-VIFPVBQESA-N -2 0 362.354 0.566 20 0 FCADRL CCc1oc(C(=O)OC)cc1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-] ZINC000548215498 490442660 /nfs/dbraw/zinc/44/26/60/490442660.db2.gz OMRYCZKAVXPMKU-ZETCQYMHSA-N -2 0 363.344 0.082 20 0 FCADRL NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cc1 ZINC000548525506 490495558 /nfs/dbraw/zinc/49/55/58/490495558.db2.gz FAZBRGKWOTYRCN-UHFFFAOYSA-N -2 0 372.380 0.539 20 0 FCADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-] ZINC000548553787 490504343 /nfs/dbraw/zinc/50/43/43/490504343.db2.gz GUSUBLLMYFJJHG-NSHDSACASA-N -2 0 361.420 0.610 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c(C)c1 ZINC000548588533 490513134 /nfs/dbraw/zinc/51/31/34/490513134.db2.gz PQPPBLQUZQNLTC-HNNXBMFYSA-N -2 0 373.383 0.626 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC000548595133 490516068 /nfs/dbraw/zinc/51/60/68/490516068.db2.gz MHVAXFFAEVKCFM-HNNXBMFYSA-N -2 0 373.383 0.707 20 0 FCADRL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)o1 ZINC000556777334 491336584 /nfs/dbraw/zinc/33/65/84/491336584.db2.gz DGZONFZIKNOISQ-LURJTMIESA-N -2 0 359.278 0.998 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cn1 ZINC000512752125 490696793 /nfs/dbraw/zinc/69/67/93/490696793.db2.gz KXXYCOXHDNXFIH-UHFFFAOYSA-N -2 0 370.362 0.576 20 0 FCADRL Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000538093850 490710100 /nfs/dbraw/zinc/71/01/00/490710100.db2.gz KXMCWAGMKWAKCM-UHFFFAOYSA-N -2 0 373.412 0.631 20 0 FCADRL COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c1 ZINC000541082068 490849265 /nfs/dbraw/zinc/84/92/65/490849265.db2.gz UXHKNZCETVEWGP-UHFFFAOYSA-N -2 0 357.319 0.845 20 0 FCADRL O=C([O-])C1(NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CCCC1 ZINC000516291326 490860028 /nfs/dbraw/zinc/86/00/28/490860028.db2.gz QOLCLLKRNLNGGU-UHFFFAOYSA-N -2 0 362.354 0.757 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cnn(C)c1C ZINC000530541930 490912154 /nfs/dbraw/zinc/91/21/54/490912154.db2.gz KILZFQZRGFMLSD-QMMMGPOBSA-N -2 0 374.400 0.076 20 0 FCADRL Cc1ncsc1CCS(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000576521066 491622105 /nfs/dbraw/zinc/62/21/05/491622105.db2.gz LFGSXMBICWHYJL-ZDUSSCGKSA-N -2 0 362.429 0.575 20 0 FCADRL C[C@@](CO)(C[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)CC(=O)[O-] ZINC000581135646 491760745 /nfs/dbraw/zinc/76/07/45/491760745.db2.gz QMOOSYPJAMMPJC-LBPRGKRZSA-N -2 0 359.297 0.995 20 0 FCADRL COC(=O)C1(CS(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])CCCCC1 ZINC000589973938 491768298 /nfs/dbraw/zinc/76/82/98/491768298.db2.gz SQVKQAUSUFSBLQ-SNVBAGLBSA-N -2 0 365.404 0.347 20 0 FCADRL C[C@](CNS(=O)(=O)c1ccc2c(c1)C(=O)CCO2)(CC(=O)[O-])C(=O)[O-] ZINC000583128278 491838522 /nfs/dbraw/zinc/83/85/22/491838522.db2.gz XKQXKHFHPYVBGI-OAHLLOKOSA-N -2 0 371.367 0.496 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N(CC(=O)[O-])C1CCC1 ZINC000655591484 492460528 /nfs/dbraw/zinc/46/05/28/492460528.db2.gz PFLRCHUFDAWNME-UHFFFAOYSA-N -2 0 357.370 0.956 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)CC3)C[C@H]1C(=O)[O-] ZINC000656158972 492559087 /nfs/dbraw/zinc/55/90/87/492559087.db2.gz QUQVPRCUGWTYGJ-WCQYABFASA-N -2 0 367.379 0.612 20 0 FCADRL Cn1nncc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OCCCCO ZINC000629328470 492610157 /nfs/dbraw/zinc/61/01/57/492610157.db2.gz HRYPCOIEMHLFGT-UHFFFAOYSA-N -2 0 370.387 0.465 20 0 FCADRL O=C([O-])c1ccc(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)cn1 ZINC000653310146 493091237 /nfs/dbraw/zinc/09/12/37/493091237.db2.gz VUGNCCQZPDLGFA-NSHDSACASA-N -2 0 361.354 0.318 20 0 FCADRL Cc1noc2ncc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc12 ZINC000681579404 493189541 /nfs/dbraw/zinc/18/95/41/493189541.db2.gz NCHHBSMZCWZTPO-CYBMUJFWSA-N -2 0 357.344 0.375 20 0 FCADRL O=C([O-])Cc1ccc(C[C@@H](NS(=O)(=O)C[C@@H]2CCCO2)C(=O)[O-])cc1 ZINC000684561539 493419284 /nfs/dbraw/zinc/41/92/84/493419284.db2.gz GGAMNRNGHMUXFA-UONOGXRCSA-N -2 0 371.411 0.408 20 0 FCADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000663115535 493572402 /nfs/dbraw/zinc/57/24/02/493572402.db2.gz CNLHOYYIEIHMOY-BMLIUANNSA-N -2 0 352.387 0.411 20 0 FCADRL Cc1cc(C(=O)NC2(CC(=O)[O-])CCOCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000663122907 493572825 /nfs/dbraw/zinc/57/28/25/493572825.db2.gz PKRGHZUNICSHIT-UHFFFAOYSA-N -2 0 362.342 0.498 20 0 FCADRL CCc1nc2cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])ccc2o1 ZINC000274938317 547394679 /nfs/dbraw/zinc/39/46/79/547394679.db2.gz FVMZHCKKMAAIJO-MRVPVSSYSA-N -2 0 356.356 0.844 20 0 FCADRL COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N(C)CCC(=O)[O-])cc2)[n-]1 ZINC000738034975 597008204 /nfs/dbraw/zinc/00/82/04/597008204.db2.gz HGOBYXXBSPKQDN-UHFFFAOYSA-N -2 0 361.354 0.428 20 0 FCADRL O=C([O-])CSCC(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000740486918 597106670 /nfs/dbraw/zinc/10/66/70/597106670.db2.gz SEMBBSOZTMIJLV-UHFFFAOYSA-N -2 0 355.397 0.495 20 0 FCADRL O=C([O-])NCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000739948246 599706065 /nfs/dbraw/zinc/70/60/65/599706065.db2.gz RPOFGMLJARRZMZ-UHFFFAOYSA-N -2 0 365.371 0.874 20 0 FCADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000738041043 599727728 /nfs/dbraw/zinc/72/77/28/599727728.db2.gz WQAJQGWEEOLDNY-NXEZZACHSA-N -2 0 356.356 0.179 20 0 FCADRL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1 ZINC000737695427 599738407 /nfs/dbraw/zinc/73/84/07/599738407.db2.gz QVUJBQSCMZQJGZ-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)s1 ZINC000736168112 599738555 /nfs/dbraw/zinc/73/85/55/599738555.db2.gz AZRLCJCCUPSCOU-UHFFFAOYSA-N -2 0 359.389 0.492 20 0 FCADRL CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)s1 ZINC000736152343 599738880 /nfs/dbraw/zinc/73/88/80/599738880.db2.gz MMGVEUVJJOTSKW-UHFFFAOYSA-N -2 0 372.428 0.509 20 0 FCADRL Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000738934414 599793116 /nfs/dbraw/zinc/79/31/16/599793116.db2.gz RKKTYPRSHXEOKT-UHFFFAOYSA-N -2 0 366.380 0.916 20 0 FCADRL Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000738934008 599793188 /nfs/dbraw/zinc/79/31/88/599793188.db2.gz NAISQZWKMIPBOH-UHFFFAOYSA-N -2 0 374.378 0.996 20 0 FCADRL O=C([O-])NCCCC(=O)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000739957274 599800731 /nfs/dbraw/zinc/80/07/31/599800731.db2.gz PJRLQCWSDCQZSG-UHFFFAOYSA-N -2 0 366.193 0.697 20 0 FCADRL O=C([O-])CSCCC(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000739850663 599800939 /nfs/dbraw/zinc/80/09/39/599800939.db2.gz XZQATLLFEVXXOT-UHFFFAOYSA-N -2 0 369.424 0.885 20 0 FCADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)n1 ZINC000739920897 599802361 /nfs/dbraw/zinc/80/23/61/599802361.db2.gz UGRAVWBHNQNKDK-UHFFFAOYSA-N -2 0 370.774 0.917 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000737684623 599864872 /nfs/dbraw/zinc/86/48/72/599864872.db2.gz WJVQUWMUWXORRF-NSHDSACASA-N -2 0 359.356 0.559 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)CN2Cc3ccccc3C2=O)c1 ZINC000739294631 599998673 /nfs/dbraw/zinc/99/86/73/599998673.db2.gz YYMXNTMFKDOTQT-UHFFFAOYSA-N -2 0 374.374 0.846 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]c2ccc(CC(=O)NCC(=O)[O-])cc2)cn1C ZINC000738868565 600023102 /nfs/dbraw/zinc/02/31/02/600023102.db2.gz KFGSDDFYSYQSFT-UHFFFAOYSA-N -2 0 366.399 0.273 20 0 FCADRL CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000736134628 600161901 /nfs/dbraw/zinc/16/19/01/600161901.db2.gz KBRTUFSGLSLATP-SECBINFHSA-N -2 0 360.413 0.510 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2)c1C(=O)[O-] ZINC000738828490 600231120 /nfs/dbraw/zinc/23/11/20/600231120.db2.gz DFTUDBYJBLZAOI-UHFFFAOYSA-N -2 0 359.385 0.621 20 0 FCADRL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(OCC(=O)[O-])cc1 ZINC000737652437 600232205 /nfs/dbraw/zinc/23/22/05/600232205.db2.gz XJBHNMQMKDBHDC-UHFFFAOYSA-N -2 0 369.355 0.769 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(-n3nnnc3C)c2)c1C(=O)[O-] ZINC000738827631 600232634 /nfs/dbraw/zinc/23/26/34/600232634.db2.gz JIRBMDLPKJXRMD-UHFFFAOYSA-N -2 0 363.359 0.501 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc3c(c2)oc(=O)n3C)c1C(=O)[O-] ZINC000738338672 600235421 /nfs/dbraw/zinc/23/54/21/600235421.db2.gz UBVVIYSCGMLBKU-UHFFFAOYSA-N -2 0 352.328 0.662 20 0 FCADRL C[C@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000736782883 600241754 /nfs/dbraw/zinc/24/17/54/600241754.db2.gz DNMFSKKNGAUBFA-AAEUAGOBSA-N -2 0 362.448 0.739 20 0 FCADRL COc1ncc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cn1 ZINC000738146993 600459341 /nfs/dbraw/zinc/45/93/41/600459341.db2.gz YEDYHEMKBCQMKL-UHFFFAOYSA-N -2 0 351.340 0.443 20 0 FCADRL CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736251138 600460192 /nfs/dbraw/zinc/46/01/92/600460192.db2.gz QEGYGDLJLFFXJH-NSHDSACASA-N -2 0 362.448 0.724 20 0 FCADRL COc1ccc(C(C)=O)cc1CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000737946596 600460204 /nfs/dbraw/zinc/46/02/04/600460204.db2.gz DQJDDDGVOZRQSZ-UHFFFAOYSA-N -2 0 357.384 0.751 20 0 FCADRL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC000324664271 600529031 /nfs/dbraw/zinc/52/90/31/600529031.db2.gz HXFXJCGHUCFVEL-UHFFFAOYSA-N -2 0 356.316 0.685 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cn1 ZINC000737631839 600529823 /nfs/dbraw/zinc/52/98/23/600529823.db2.gz VPBJEYAGPVSCGQ-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL C[C@H]1CCC[C@@H](OCC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000736773577 600549809 /nfs/dbraw/zinc/54/98/09/600549809.db2.gz BVFVKYKJQKHZOB-WCQYABFASA-N -2 0 362.448 0.739 20 0 FCADRL CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccn(CC(=O)[O-])n3)cc21 ZINC000736140032 600612366 /nfs/dbraw/zinc/61/23/66/600612366.db2.gz UKELFMTYPWATDU-UHFFFAOYSA-N -2 0 364.383 0.678 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)NN=c2c(F)c(F)[n-]c(F)c2F)cn1 ZINC000833274540 600671698 /nfs/dbraw/zinc/67/16/98/600671698.db2.gz CEUDSEPTTVMQKV-UHFFFAOYSA-N -2 0 369.256 0.225 20 0 FCADRL COC(=O)c1sc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1C ZINC000831478687 600672591 /nfs/dbraw/zinc/67/25/91/600672591.db2.gz DNICWYGFFBUJOG-UHFFFAOYSA-N -2 0 359.385 0.925 20 0 FCADRL CC(=O)Nc1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)ccc1F ZINC000325111889 600673664 /nfs/dbraw/zinc/67/36/64/600673664.db2.gz GQSPFFSPPZTLDX-UHFFFAOYSA-N -2 0 356.335 0.866 20 0 FCADRL CC(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000826980743 600674385 /nfs/dbraw/zinc/67/43/85/600674385.db2.gz VQRAXAQVSSVOPO-UHFFFAOYSA-N -2 0 366.399 0.907 20 0 FCADRL O=C([O-])C[C@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)c2ccccc21 ZINC000833220472 600682654 /nfs/dbraw/zinc/68/26/54/600682654.db2.gz VSCWGLSNGJLMTH-JTQLQIEISA-N -2 0 365.367 0.735 20 0 FCADRL COC(=O)c1cc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)ccc1C(=O)[O-] ZINC000831328801 600687874 /nfs/dbraw/zinc/68/78/74/600687874.db2.gz ZCHPCQGRPDUOSO-UHFFFAOYSA-N -2 0 368.323 0.999 20 0 FCADRL O=C([O-])C[C@H]1CSCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000739657587 600699381 /nfs/dbraw/zinc/69/93/81/600699381.db2.gz IJYHYJKCSUGQFP-QMMMGPOBSA-N -2 0 350.356 0.468 20 0 FCADRL CS(=O)(=O)CCn1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000738126798 600785490 /nfs/dbraw/zinc/78/54/90/600785490.db2.gz LBVQNRBCQKTGML-UHFFFAOYSA-N -2 0 373.412 0.427 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)Cc2cc(F)ccc2F)CC1 ZINC000833117089 600943821 /nfs/dbraw/zinc/94/38/21/600943821.db2.gz NDWMDXSMKOOPIK-UHFFFAOYSA-N -2 0 362.354 0.665 20 0 FCADRL CCOC(=O)c1csc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)n1 ZINC000829890337 600974927 /nfs/dbraw/zinc/97/49/27/600974927.db2.gz OLYYIRMBCQEFLX-UHFFFAOYSA-N -2 0 360.373 0.402 20 0 FCADRL CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c1 ZINC000832725476 600983070 /nfs/dbraw/zinc/98/30/70/600983070.db2.gz PZZRTCIOVLVTJG-UHFFFAOYSA-N -2 0 356.381 0.984 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ncn(CC(=O)N(C)C)n1 ZINC000832852604 600984358 /nfs/dbraw/zinc/98/43/58/600984358.db2.gz BTGCYVHMJBVSDO-UHFFFAOYSA-N -2 0 367.387 0.174 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2ccccc2Br)n1 ZINC000833276405 600987136 /nfs/dbraw/zinc/98/71/36/600987136.db2.gz AQJVEMDFRKSQRT-UHFFFAOYSA-N -2 0 361.177 0.926 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1C(N)=O ZINC000832954575 601240262 /nfs/dbraw/zinc/24/02/62/601240262.db2.gz IQFLVYGFCOUQEN-WDEREUQCSA-N -2 0 368.411 0.790 20 0 FCADRL COC(=O)c1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)ccc1C ZINC000831326971 601334247 /nfs/dbraw/zinc/33/42/47/601334247.db2.gz DFTWQUDRUGZUIK-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000833024953 601501406 /nfs/dbraw/zinc/50/14/06/601501406.db2.gz YWSDCURSMHQRAT-UHFFFAOYSA-N -2 0 356.360 0.308 20 0 FCADRL CC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000828677040 601520361 /nfs/dbraw/zinc/52/03/61/601520361.db2.gz IPCUGRJEGBSQMH-CYBMUJFWSA-N -2 0 356.360 0.358 20 0 FCADRL COC(=O)[C@H](CC(=O)[O-])NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000831074397 601757669 /nfs/dbraw/zinc/75/76/69/601757669.db2.gz XHUAGLTXEGRSIM-JTQLQIEISA-N -2 0 351.290 0.463 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2ccccc2S(N)(=O)=O)cc1C(=O)[O-] ZINC000833052563 601784676 /nfs/dbraw/zinc/78/46/76/601784676.db2.gz AMBUEXUYEMVIKC-UHFFFAOYSA-N -2 0 359.385 0.172 20 0 FCADRL CC1(C)Cc2cc(S(=O)(=O)[N-]c3ncn(CC(=O)[O-])n3)ccc2O1 ZINC000828082550 601794710 /nfs/dbraw/zinc/79/47/10/601794710.db2.gz QNCOHNZIKNTZES-UHFFFAOYSA-N -2 0 352.372 0.877 20 0 FCADRL Cn1c(Cl)ncc1S(=O)(=O)[N-]c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000759709655 601863035 /nfs/dbraw/zinc/86/30/35/601863035.db2.gz WHWRFJJGPPVFPV-UHFFFAOYSA-N -2 0 372.790 0.689 20 0 FCADRL CCOC(=O)c1nnc([N-]S(=O)(=O)c2csnc2C(=O)[O-])s1 ZINC000829895495 602153955 /nfs/dbraw/zinc/15/39/55/602153955.db2.gz RCODTHOBKLVQOQ-UHFFFAOYSA-N -2 0 364.386 0.670 20 0 FCADRL CC(C)[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000736376171 604373923 /nfs/dbraw/zinc/37/39/23/604373923.db2.gz RPYSUCVIEMVHBD-ZDUSSCGKSA-N -2 0 372.399 0.945 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)cn1 ZINC000831193018 604624092 /nfs/dbraw/zinc/62/40/92/604624092.db2.gz ZSVIHAOCKLORDH-UHFFFAOYSA-N -2 0 374.400 0.331 20 0 FCADRL COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833723463 604880054 /nfs/dbraw/zinc/88/00/54/604880054.db2.gz FNRQSXYFWPZZNI-UHFFFAOYSA-N -2 0 353.299 0.385 20 0 FCADRL O=C([O-])NCC(=O)[N-]S(=O)(=O)Cc1ccccc1Br ZINC000833777242 604998873 /nfs/dbraw/zinc/99/88/73/604998873.db2.gz JDZWENZXRRWBCB-UHFFFAOYSA-N -2 0 351.178 0.663 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccc([C@H]3CNC(=O)C3)c2)cn1 ZINC000833274074 605010367 /nfs/dbraw/zinc/01/03/67/605010367.db2.gz NWGSCIRQSCQWDB-LLVKDONJSA-N -2 0 364.383 0.372 20 0 FCADRL CC(C)C[C@H](NC(=O)CNC(=O)c1nnc2ccccc2c1O)C(=O)[O-] ZINC000799248170 605249058 /nfs/dbraw/zinc/24/90/58/605249058.db2.gz SOMDLZDASMNXRM-LBPRGKRZSA-N -2 0 360.370 0.681 20 0 FCADRL CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833397952 605291840 /nfs/dbraw/zinc/29/18/40/605291840.db2.gz SDDJWTLROGKXES-VIFPVBQESA-N -2 0 362.429 0.802 20 0 FCADRL COC(=O)[C@H]1CCN(CC(=O)[N-]OCc2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000833705609 605681014 /nfs/dbraw/zinc/68/10/14/605681014.db2.gz DMWYYXINZBPAQQ-UONOGXRCSA-N -2 0 350.371 0.573 20 0 FCADRL CC(C)[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000833469711 605717711 /nfs/dbraw/zinc/71/77/11/605717711.db2.gz YJCTWXVYRGCOKJ-GFCCVEGCSA-N -2 0 371.415 0.486 20 0 FCADRL CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)C1=O ZINC000916105114 666991288 /nfs/dbraw/zinc/99/12/88/666991288.db2.gz OGHPYRPOZPIKCV-CQSZACIVSA-N -2 0 371.371 0.307 20 0 FCADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)[O-] ZINC000917729450 667084605 /nfs/dbraw/zinc/08/46/05/667084605.db2.gz HDXMPQDDXHEJOO-JTQLQIEISA-N -2 0 359.356 0.242 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1 ZINC000736267751 667091177 /nfs/dbraw/zinc/09/11/77/667091177.db2.gz JYXJHCLGMSDLQS-JTQLQIEISA-N -2 0 364.420 0.554 20 0 FCADRL NC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC000918398871 667117971 /nfs/dbraw/zinc/11/79/71/667117971.db2.gz HWEWGLWVBLUBRV-UHFFFAOYSA-N -2 0 358.763 0.521 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cc(C(=O)[O-])c1F ZINC000325488157 667130294 /nfs/dbraw/zinc/13/02/94/667130294.db2.gz ZFXADKSSHFEPHI-UHFFFAOYSA-N -2 0 356.335 0.315 20 0 FCADRL CCOC(=O)N[N-]S(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000032081652 667175367 /nfs/dbraw/zinc/17/53/67/667175367.db2.gz GCSNCTKYRZLTHS-VIFPVBQESA-N -2 0 371.371 0.064 20 0 FCADRL CC(C)C[C@@H](NS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2)C(=O)[O-] ZINC000919954813 667208872 /nfs/dbraw/zinc/20/88/72/667208872.db2.gz VFKQHZPFIPIRJW-LLVKDONJSA-N -2 0 373.383 0.934 20 0 FCADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000919956335 667208884 /nfs/dbraw/zinc/20/88/84/667208884.db2.gz VBLHUFHAHORKSI-UHFFFAOYSA-N -2 0 357.384 0.808 20 0 FCADRL NC(=O)CCn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)n1 ZINC000756935250 667691920 /nfs/dbraw/zinc/69/19/20/667691920.db2.gz AZPCBQOXKSIVBB-UHFFFAOYSA-N -2 0 374.325 0.536 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]C(C)=O)cc2)cn1 ZINC000763084472 667942940 /nfs/dbraw/zinc/94/29/40/667942940.db2.gz CHLZWWKQYDIGFN-UHFFFAOYSA-N -2 0 372.428 0.529 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1C(=O)[O-] ZINC000774622299 668163130 /nfs/dbraw/zinc/16/31/30/668163130.db2.gz QAWNQAJCYBSIIA-UHFFFAOYSA-N -3 0 361.282 0.896 20 0 FCADRL COc1nc(C(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)cc(=O)[n-]1 ZINC000770518991 668200203 /nfs/dbraw/zinc/20/02/03/668200203.db2.gz SNLPSUCINSNBHK-UHFFFAOYSA-N -2 0 364.339 0.370 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)ccc1O ZINC000776428474 668260778 /nfs/dbraw/zinc/26/07/78/668260778.db2.gz ZVOJGGXXXDNWPY-UHFFFAOYSA-N -2 0 355.328 0.411 20 0 FCADRL Cn1nc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1C(=O)[O-] ZINC000776428421 668260813 /nfs/dbraw/zinc/26/08/13/668260813.db2.gz ZASQYOQMKNLWBZ-UHFFFAOYSA-N -2 0 365.371 0.110 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)c1ccccn1 ZINC000788187611 668820079 /nfs/dbraw/zinc/82/00/79/668820079.db2.gz LVEHQWISGBDJIR-VIFPVBQESA-N -2 0 353.322 0.590 20 0 FCADRL CC(C)N(C)S(=O)(=O)N[C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000794917471 669001544 /nfs/dbraw/zinc/00/15/44/669001544.db2.gz XJQMGOMNOWRYPG-CYBMUJFWSA-N -2 0 358.416 0.484 20 0 FCADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000820565466 669103573 /nfs/dbraw/zinc/10/35/73/669103573.db2.gz ZZNUAZWNUCTBHL-VERVWZFWSA-N -2 0 361.441 0.428 20 0 FCADRL O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)[N-]OC[C@H]1CCOC1 ZINC000811392848 669750407 /nfs/dbraw/zinc/75/04/07/669750407.db2.gz SKFSKSKCNGABJZ-VIFPVBQESA-N -2 0 350.343 0.327 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)Cc1cccnc1 ZINC000816013027 669935414 /nfs/dbraw/zinc/93/54/14/669935414.db2.gz BIFFYQFNECYOHQ-JTQLQIEISA-N -2 0 367.349 0.731 20 0 FCADRL Cc1ncc(S(=O)(=O)[N-]C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)s1 ZINC000816046119 669937239 /nfs/dbraw/zinc/93/72/39/669937239.db2.gz LNCDTZUDITZBJD-QMMMGPOBSA-N -2 0 373.378 0.960 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C[C@@H]1C(=O)[O-] ZINC000844793037 670944419 /nfs/dbraw/zinc/94/44/19/670944419.db2.gz REURRCLGTPVWRX-SFYZADRCSA-N -2 0 366.754 0.670 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cnsn1 ZINC000851701814 671461057 /nfs/dbraw/zinc/46/10/57/671461057.db2.gz IYJJGZMEBVBUPN-VDTYLAMSSA-N -2 0 352.294 0.274 20 0 FCADRL O=C([O-])C[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000853061815 671535991 /nfs/dbraw/zinc/53/59/91/671535991.db2.gz GKRJXSIXJLWVTA-SECBINFHSA-N -2 0 363.775 0.902 20 0 FCADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000863952727 672163991 /nfs/dbraw/zinc/16/39/91/672163991.db2.gz DUDMNVDVWGAENZ-INIZCTEOSA-N -2 0 366.395 0.877 20 0 FCADRL CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)c1 ZINC000863953254 672164261 /nfs/dbraw/zinc/16/42/61/672164261.db2.gz NAKAADZDKCKBJH-UHFFFAOYSA-N -2 0 361.397 0.150 20 0 FCADRL CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000863953701 672164546 /nfs/dbraw/zinc/16/45/46/672164546.db2.gz VPLUYMCNEASLLZ-OAHLLOKOSA-N -2 0 369.399 0.089 20 0 FCADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1 ZINC000863953830 672164603 /nfs/dbraw/zinc/16/46/03/672164603.db2.gz AIZBCXXCKPSUNS-LLVKDONJSA-N -2 0 371.415 0.407 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])CC2(C)C)cc1C(N)=O ZINC000863954819 672165220 /nfs/dbraw/zinc/16/52/20/672165220.db2.gz NROXJBQNIOLOFI-HNNXBMFYSA-N -2 0 354.384 0.400 20 0 FCADRL Cn1ncnc1COc1ccc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])cc1 ZINC000863956995 672166209 /nfs/dbraw/zinc/16/62/09/672166209.db2.gz WMYVFBROWHOGAP-UHFFFAOYSA-N -2 0 368.371 0.064 20 0 FCADRL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc1 ZINC000863957689 672166486 /nfs/dbraw/zinc/16/64/86/672166486.db2.gz DRHAAISNNOQXQV-MRXNPFEDSA-N -2 0 368.411 0.694 20 0 FCADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)NC)cc1 ZINC000863960912 672168347 /nfs/dbraw/zinc/16/83/47/672168347.db2.gz FHCJJLANFDSIBB-UHFFFAOYSA-N -2 0 370.427 0.883 20 0 FCADRL CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)CC1 ZINC000863961257 672168594 /nfs/dbraw/zinc/16/85/94/672168594.db2.gz JGAJSGGKKZBLND-UHFFFAOYSA-N -2 0 362.404 0.308 20 0 FCADRL NC(=O)c1ccccc1CS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000863961708 672168902 /nfs/dbraw/zinc/16/89/02/672168902.db2.gz ACMOWGHIGMHLKI-ZJUUUORDSA-N -2 0 354.384 0.232 20 0 FCADRL O=C([O-])COc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)cc1 ZINC000863962191 672168929 /nfs/dbraw/zinc/16/89/29/672168929.db2.gz VXAZQMBMTAOQCB-LLVKDONJSA-N -2 0 357.384 0.636 20 0 FCADRL O=Cc1c[nH]c(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC000874968775 672811371 /nfs/dbraw/zinc/81/13/71/672811371.db2.gz SHOBEPKOLWKTGY-PSASIEDQSA-N -2 0 361.276 0.564 20 0 FCADRL COc1ccc([C@]2(C)NC(=O)N([N-]C(=O)c3n[nH]c(C)c3[O-])C2=O)cc1 ZINC000861709053 1209875628 /nfs/dbraw/zinc/87/56/28/1209875628.db2.gz CZBJOSXVVGQTHO-INIZCTEOSA-N -2 0 359.342 0.544 20 0 FCADRL CCOC(=O)[C@H](OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1ccc(F)cc1 ZINC001223097653 1225681398 /nfs/dbraw/zinc/68/13/98/1225681398.db2.gz SEZSCTUTBAPJQE-KGYLQXTDSA-N -2 0 372.301 0.510 20 0 FCADRL CCOC(=O)[C@H](OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1ccccc1F ZINC001224157597 1225762155 /nfs/dbraw/zinc/76/21/55/1225762155.db2.gz ZDSPQOKDAOWVLB-OASPWFOLSA-N -2 0 372.301 0.510 20 0 FCADRL COC(=O)c1cc2[nH]ccc2c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001227322685 1225870643 /nfs/dbraw/zinc/87/06/43/1225870643.db2.gz MCPFLFWJZPJDGG-TVQRCGJNSA-N -2 0 365.294 0.396 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ccccc1C(=O)N1CCCC1)[C@H](O)C(=O)[O-] ZINC001227778156 1225885198 /nfs/dbraw/zinc/88/51/98/1225885198.db2.gz PKGYBBUMDGLNDZ-FZMZJTMJSA-N -2 0 365.338 0.364 20 0 FCADRL CCOC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(OC)c1 ZINC001228053093 1225894534 /nfs/dbraw/zinc/89/45/34/1225894534.db2.gz SPWMXRRLMBTQSL-TVQRCGJNSA-N -2 0 370.310 0.314 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1ncnc2c3ccccc3[nH]c21)[C@H](O)C(=O)[O-] ZINC001228784975 1225950814 /nfs/dbraw/zinc/95/08/14/1225950814.db2.gz YOTRGXOEFSMUIQ-SDBXPKJASA-N -2 0 359.294 0.553 20 0 FCADRL COC(=O)C1(c2cccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2)CC1 ZINC001231154421 1226101434 /nfs/dbraw/zinc/10/14/34/1226101434.db2.gz GIVAJSWZDAKMIL-AAEUAGOBSA-N -2 0 366.322 0.333 20 0 FCADRL O=C(CNC(=O)c1ccco1)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000010159659 1245289867 /nfs/dbraw/zinc/28/98/67/1245289867.db2.gz WQFHYWWYSULASO-UHFFFAOYSA-N -2 0 369.337 0.362 20 0 FCADRL CC(C)(C)CC(=O)NCC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000053790953 1245299329 /nfs/dbraw/zinc/29/93/29/1245299329.db2.gz MHSHTQLHSYLHDO-UHFFFAOYSA-N -2 0 373.413 0.891 20 0 FCADRL COc1cc2[nH]nc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2cc1OC ZINC001233619323 1259552361 /nfs/dbraw/zinc/55/23/61/1259552361.db2.gz VVLYFADRANEMQG-MADCSZMMSA-N -2 0 368.298 0.022 20 0 FCADRL Nc1nccc(-c2ccccc2OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001234155118 1259556845 /nfs/dbraw/zinc/55/68/45/1259556845.db2.gz ZHXIYWBXFGJTCD-NOZJJQNGSA-N -2 0 361.310 0.168 20 0 FCADRL Nc1nccc(-c2ccccc2OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001234155127 1259557246 /nfs/dbraw/zinc/55/72/46/1259557246.db2.gz ZHXIYWBXFGJTCD-TVQRCGJNSA-N -2 0 361.310 0.168 20 0 FCADRL C[C@@H]1CC(=O)N(C)c2ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc21 ZINC001234851067 1259564909 /nfs/dbraw/zinc/56/49/09/1259564909.db2.gz GTWLLQJRTFHDTR-UQHVFFSPSA-N -2 0 365.338 0.598 20 0 FCADRL CN1CCN(c2cc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)ncn2)CC1=O ZINC001242161264 1259634304 /nfs/dbraw/zinc/63/43/04/1259634304.db2.gz WNDIJGLPCAQBPH-UHFFFAOYSA-N -2 0 356.338 0.818 20 0 FCADRL C[C@@]1(C2CC2)COCCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001575752385 1272416418 /nfs/dbraw/zinc/41/64/18/1272416418.db2.gz GPHHVSBZRZOYSY-INIZCTEOSA-N -2 0 356.390 0.616 20 0 FCADRL CC(=O)c1ccc(OCCCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1 ZINC001603114100 1287310069 /nfs/dbraw/zinc/31/00/69/1287310069.db2.gz DGHNQMQXJQWTQC-LLVKDONJSA-N -2 0 357.384 0.967 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)OC(C)(C)C ZINC001603187535 1287324929 /nfs/dbraw/zinc/32/49/29/1287324929.db2.gz IIBCOCFKQVODOL-DTWKUNHWSA-N -2 0 351.421 0.910 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(OCC(F)F)nc1 ZINC001603190239 1287327177 /nfs/dbraw/zinc/32/71/77/1287327177.db2.gz VNWJDJSCYRGDBI-HTQZYQBOSA-N -2 0 366.342 0.894 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001603205412 1287330366 /nfs/dbraw/zinc/33/03/66/1287330366.db2.gz VNJVTCVGNJJXSP-UWVGGRQHSA-N -2 0 364.420 0.553 20 0 FCADRL C[C@H](C(=O)[O-])N(Cc1cccnc1)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001603198212 1287327885 /nfs/dbraw/zinc/32/78/85/1287327885.db2.gz GLPMBARLWZZBAH-LLVKDONJSA-N -2 0 356.400 0.941 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001603201974 1287329008 /nfs/dbraw/zinc/32/90/08/1287329008.db2.gz QMXUKFJFXNIUHO-RQJHMYQMSA-N -2 0 374.362 0.454 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccnn1CCc1ccccc1 ZINC001603203852 1287329501 /nfs/dbraw/zinc/32/95/01/1287329501.db2.gz DIHOWWNKCQYNEK-LLVKDONJSA-N -2 0 351.384 0.659 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001603203141 1287329761 /nfs/dbraw/zinc/32/97/61/1287329761.db2.gz OSZDANNKSUEOKP-SNVBAGLBSA-N -2 0 353.360 0.028 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCN(C)C(=O)OCc1ccccc1 ZINC001603205541 1287331318 /nfs/dbraw/zinc/33/13/18/1287331318.db2.gz WZKLUSSKJJIVLC-LLVKDONJSA-N -2 0 372.399 0.564 20 0 FCADRL CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)[O-] ZINC001603380938 1287364244 /nfs/dbraw/zinc/36/42/44/1287364244.db2.gz WDDPHCWAODGRGW-SNVBAGLBSA-N -2 0 350.310 0.170 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1cccc(-n2cc[nH]c2=O)c1)C(=O)[O-] ZINC001603660018 1287459546 /nfs/dbraw/zinc/45/95/46/1287459546.db2.gz KWNWKOWCDLIVJJ-UHFFFAOYSA-N -2 0 367.383 0.748 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1cncc(OCC(F)F)c1)C(=O)[O-] ZINC001603660091 1287460964 /nfs/dbraw/zinc/46/09/64/1287460964.db2.gz MJLYMKBHXMZHJM-UHFFFAOYSA-N -2 0 366.342 0.896 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1coc(-c2cccnc2)n1)C(=O)[O-] ZINC001603660029 1287460981 /nfs/dbraw/zinc/46/09/81/1287460981.db2.gz LJCSRQHNSXIPIE-UHFFFAOYSA-N -2 0 353.356 0.907 20 0 FCADRL C[C@@H]1C(=O)CC[C@H]1CC(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001603830167 1287509127 /nfs/dbraw/zinc/50/91/27/1287509127.db2.gz GSFIRZHRIQCFHR-IUCAKERBSA-N -2 0 371.357 0.664 20 0 FCADRL C[C@H]1C(=O)CC[C@@H]1CC(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001603830168 1287509985 /nfs/dbraw/zinc/50/99/85/1287509985.db2.gz GSFIRZHRIQCFHR-RKDXNWHRSA-N -2 0 371.357 0.664 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)cc1=O ZINC001603853384 1287520863 /nfs/dbraw/zinc/52/08/63/1287520863.db2.gz NHIIDLXXEBCASW-AWEZNQCLSA-N -2 0 353.419 0.857 20 0 FCADRL O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)nn2)C1)c1ncccc1O ZINC001582612591 1281807550 /nfs/dbraw/zinc/80/75/50/1281807550.db2.gz CIQWGZRFDZNCTE-KYZUINATSA-N -2 0 353.346 0.130 20 0 FCADRL O=C(c1ncccc1O)N1CC[C@H](CNc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001582751758 1281976385 /nfs/dbraw/zinc/97/63/85/1281976385.db2.gz VIPVEBZQIYGNML-LLVKDONJSA-N -2 0 366.385 0.937 20 0 FCADRL O=C(c1ncccc1O)N1CC[C@H](Nc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001582751563 1281976420 /nfs/dbraw/zinc/97/64/20/1281976420.db2.gz LUSMMPNEYQVUKU-NSHDSACASA-N -2 0 352.358 0.689 20 0 FCADRL C[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001604255353 1287593835 /nfs/dbraw/zinc/59/38/35/1287593835.db2.gz GGVKWFWESWXPTG-HHHUOAJASA-N -2 0 354.403 0.560 20 0 FCADRL CCN(CCNC(=O)c1[nH]nc(C)c1[O-])c1cccc(F)c1-c1nn[nH]n1 ZINC001604306038 1287604435 /nfs/dbraw/zinc/60/44/35/1287604435.db2.gz FPFKGCZTCMEMLF-UHFFFAOYSA-N -2 0 374.380 0.999 20 0 FCADRL CC[C@H](C(=O)[O-])N(C)C(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C ZINC001590370214 1283504635 /nfs/dbraw/zinc/50/46/35/1283504635.db2.gz AZDOWOKDRHSEAQ-LLVKDONJSA-N -2 0 362.390 0.838 20 0 FCADRL CCc1ncc(C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)s1 ZINC001590925335 1283977068 /nfs/dbraw/zinc/97/70/68/1283977068.db2.gz OHVXRBOCMRZQOJ-UHFFFAOYSA-N -2 0 372.370 0.991 20 0 FCADRL CN1CCCC[C@H]1C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001591188625 1284305690 /nfs/dbraw/zinc/30/56/90/1284305690.db2.gz HGUYNPZFSGXGAB-NSHDSACASA-N -2 0 358.362 0.143 20 0 FCADRL CO[C@@H]1CN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)[C@](C)(C(=O)[O-])C1 ZINC001591362912 1284499081 /nfs/dbraw/zinc/49/90/81/1284499081.db2.gz RKNGLLXPPRIBLO-MADCSZMMSA-N -2 0 373.416 0.181 20 0 FCADRL COc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1 ZINC001591506608 1284692111 /nfs/dbraw/zinc/69/21/11/1284692111.db2.gz QKGOPJVBVJGVSA-SECBINFHSA-N -2 0 367.387 0.361 20 0 FCADRL O=C([O-])CCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001593278119 1286060868 /nfs/dbraw/zinc/06/08/68/1286060868.db2.gz RQMUNOKBHSYTEE-UHFFFAOYSA-N -2 0 373.778 0.580 20 0 FCADRL O=C(c1n[nH]c(=O)[n-]1)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC001593371784 1286094730 /nfs/dbraw/zinc/09/47/30/1286094730.db2.gz QUNHAAFCJFCLCC-UHFFFAOYSA-N -2 0 355.362 0.043 20 0 FCADRL O=S(=O)([N-]c1ccc(OCCO)cc1)c1ccc(-c2nnn[n-]2)o1 ZINC001593445112 1286159463 /nfs/dbraw/zinc/15/94/63/1286159463.db2.gz JLFVDEKWZBCHNO-UHFFFAOYSA-N -2 0 351.344 0.632 20 0 FCADRL Cc1c([C@H](NS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])C(=O)[O-])cnn1C ZINC001600009024 1286423395 /nfs/dbraw/zinc/42/33/95/1286423395.db2.gz GUOFIYATEWIRQO-JLLWLGSASA-N -2 0 359.404 0.417 20 0 FCADRL Cc1c([C@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)C(=O)[O-])cnn1C ZINC001600009928 1286423466 /nfs/dbraw/zinc/42/34/66/1286423466.db2.gz UHADUUURRYOJFQ-JTQLQIEISA-N -2 0 359.385 0.592 20 0 FCADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC001600014565 1286424006 /nfs/dbraw/zinc/42/40/06/1286424006.db2.gz CYMIKOCQLXNFCF-UHFFFAOYSA-N -2 0 361.763 0.544 20 0 FCADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC001600014035 1286424734 /nfs/dbraw/zinc/42/47/34/1286424734.db2.gz NTUJESGATJOLKU-JTQLQIEISA-N -2 0 363.775 0.821 20 0 FCADRL Cc1c(Cl)c(C(=O)[O-])sc1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001600054736 1286433011 /nfs/dbraw/zinc/43/30/11/1286433011.db2.gz ATDNTCYWZPPJLZ-LLVKDONJSA-N -2 0 369.804 0.930 20 0 FCADRL Cc1cc(C(=O)N(CCC(=O)[O-])CC(=O)[O-])ccc1N1CCOCC1 ZINC001600078519 1286437321 /nfs/dbraw/zinc/43/73/21/1286437321.db2.gz ORLOLZFDXXHWFI-UHFFFAOYSA-N -2 0 350.371 0.833 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)nn1C ZINC001600096347 1286440462 /nfs/dbraw/zinc/44/04/62/1286440462.db2.gz JHBLLVCLBUGQEI-UHFFFAOYSA-N -2 0 355.347 0.613 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c(C)n1-c1ccn(C)n1 ZINC001600096143 1286440637 /nfs/dbraw/zinc/44/06/37/1286440637.db2.gz CEDHPLFBNQTWPB-UHFFFAOYSA-N -2 0 354.388 0.362 20 0 FCADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC001600123977 1286444429 /nfs/dbraw/zinc/44/44/29/1286444429.db2.gz ZPGDVQUKSRBKJK-QWRGUYRKSA-N -3 0 371.367 0.489 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)cc2=O)n1 ZINC001600181365 1286451459 /nfs/dbraw/zinc/45/14/59/1286451459.db2.gz GYWHQUFNMFYLMZ-LBPRGKRZSA-N -2 0 371.397 0.899 20 0 FCADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC001600223310 1286454519 /nfs/dbraw/zinc/45/45/19/1286454519.db2.gz COPNRUGDHARXMC-GFCCVEGCSA-N -2 0 371.346 0.670 20 0 FCADRL Cc1cc(F)c(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600229295 1286455524 /nfs/dbraw/zinc/45/55/24/1286455524.db2.gz VDBBNAYZSQUOQA-RFAUZJTJSA-N -2 0 373.358 0.554 20 0 FCADRL Cc1cc(F)c(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])cc1C(=O)[O-] ZINC001600227028 1286455601 /nfs/dbraw/zinc/45/56/01/1286455601.db2.gz NVOQRTUBXURPHT-PELKAZGASA-N -2 0 361.347 0.695 20 0 FCADRL Cc1cc(S(=O)(=O)N2C[C@H](C)O[C@H](C)[C@H]2C(=O)[O-])ccc1C(=O)[O-] ZINC001600292989 1286469244 /nfs/dbraw/zinc/46/92/44/1286469244.db2.gz BHADYKCTLGJCHK-CWSCBRNRSA-N -2 0 357.384 0.944 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)CCCn2ccccc2=O)oc1C(=O)[O-] ZINC001600296425 1286471234 /nfs/dbraw/zinc/47/12/34/1286471234.db2.gz FWCAVSGJPLNZFG-UHFFFAOYSA-N -2 0 368.367 0.733 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]C(=O)Cn2cc(C3CC3)nn2)oc1C(=O)[O-] ZINC001600296801 1286471862 /nfs/dbraw/zinc/47/18/62/1286471862.db2.gz HEWUJXLFLKGNDY-UHFFFAOYSA-N -2 0 354.344 0.260 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC3(CCOCC3)[C@@H]2C(=O)[O-])c(C(=O)[O-])c1 ZINC001600476113 1286492771 /nfs/dbraw/zinc/49/27/71/1286492771.db2.gz ZAUXHSOVYYHBJW-ZDUSSCGKSA-N -2 0 369.395 0.948 20 0 FCADRL Cc1ccccc1CNC(=O)[C@@H](C)S(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001600580231 1286509889 /nfs/dbraw/zinc/50/98/89/1286509889.db2.gz AAZYEFDYLYTPHH-SNVBAGLBSA-N -2 0 351.384 0.895 20 0 FCADRL Cc1cnn(C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)C(=O)[O-])c1 ZINC001600636667 1286518226 /nfs/dbraw/zinc/51/82/26/1286518226.db2.gz KTCJZSPYJMLCQG-NSHDSACASA-N -2 0 371.346 0.461 20 0 FCADRL Cc1ncsc1CCS(=O)(=O)[N-]C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001600759557 1286539865 /nfs/dbraw/zinc/53/98/65/1286539865.db2.gz HOOKPXRQWVNLJB-UHFFFAOYSA-N -2 0 358.401 0.035 20 0 FCADRL Cc1nn(-c2ccccc2)c(C)c1CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001600762457 1286540516 /nfs/dbraw/zinc/54/05/16/1286540516.db2.gz ACLUYQSQGRJJHC-LBPRGKRZSA-N -2 0 365.411 0.951 20 0 FCADRL Cc1nn(C)c(C)c1CCC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001600770506 1286541315 /nfs/dbraw/zinc/54/13/15/1286541315.db2.gz FDJPZRJVKCUNBG-UHFFFAOYSA-N -2 0 355.372 0.766 20 0 FCADRL Cc1nn(CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c(C)c1Cl ZINC001600780943 1286543575 /nfs/dbraw/zinc/54/35/75/1286543575.db2.gz SKHLAKXQLTVWCJ-UHFFFAOYSA-N -2 0 351.812 0.710 20 0 FCADRL Cc1oc(CNC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600845470 1286555679 /nfs/dbraw/zinc/55/56/79/1286555679.db2.gz CBDDEZFINZRSRJ-QPUJVOFHSA-N -2 0 352.343 0.472 20 0 FCADRL Cc1oc(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600845469 1286556302 /nfs/dbraw/zinc/55/63/02/1286556302.db2.gz CBDDEZFINZRSRJ-PRHODGIISA-N -2 0 352.343 0.472 20 0 FCADRL Cn1c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])nc3)cc2n(C)c1=O ZINC001600894609 1286564468 /nfs/dbraw/zinc/56/44/68/1286564468.db2.gz JZWMIIVRFSODBJ-UHFFFAOYSA-N -2 0 362.367 0.771 20 0 FCADRL Cn1c(=O)oc2c1cccc2[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001600898284 1286565133 /nfs/dbraw/zinc/56/51/33/1286565133.db2.gz VEDISAJFJDKGBD-UHFFFAOYSA-N -2 0 352.328 0.213 20 0 FCADRL Cn1cc(C[C@H](CNS(=O)(=O)c2ccsc2C(=O)[O-])C(=O)[O-])cn1 ZINC001600949133 1286578175 /nfs/dbraw/zinc/57/81/75/1286578175.db2.gz YLOABVFLPVZEQY-SECBINFHSA-N -2 0 373.412 0.402 20 0 FCADRL Cn1[n-]c(C(F)(F)F)nc1=NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001601007803 1286596137 /nfs/dbraw/zinc/59/61/37/1286596137.db2.gz FQDYRYIELRRDFZ-UHFFFAOYSA-N -2 0 364.305 0.684 20 0 FCADRL Cn1nc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)c2ccccc21 ZINC001601010413 1286597216 /nfs/dbraw/zinc/59/72/16/1286597216.db2.gz LSNVGUPIWFFQCH-UHFFFAOYSA-N -2 0 350.356 0.781 20 0 FCADRL Cn1ncc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1Br ZINC001601021319 1286603905 /nfs/dbraw/zinc/60/39/05/1286603905.db2.gz XVJQFCLARZESJV-UHFFFAOYSA-N -2 0 368.209 0.353 20 0 FCADRL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC001601167589 1286670122 /nfs/dbraw/zinc/67/01/22/1286670122.db2.gz UQHBUHJTHBRNEW-UHFFFAOYSA-N -2 0 354.365 0.664 20 0 FCADRL O=C([O-])[C@@H](CCF)NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001601327215 1286729311 /nfs/dbraw/zinc/72/93/11/1286729311.db2.gz IALKSYHXJGVCQF-SECBINFHSA-N -2 0 354.306 0.172 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)COC[C@@H]2CCCO2)c1 ZINC001601338300 1286731106 /nfs/dbraw/zinc/73/11/06/1286731106.db2.gz LNIQKNYUFHISHG-ZDUSSCGKSA-N -2 0 357.384 0.526 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)Cn1cc(C2CC2)nn1 ZINC001601383433 1286737509 /nfs/dbraw/zinc/73/75/09/1286737509.db2.gz HMLJRFXSKKAFST-UHFFFAOYSA-N -2 0 356.385 0.420 20 0 FCADRL O=C([O-])[C@@H](CC1OCCO1)NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001601412304 1286742320 /nfs/dbraw/zinc/74/23/20/1286742320.db2.gz CSIRZFXSLCOWTB-LLVKDONJSA-N -2 0 365.317 0.663 20 0 FCADRL O=C([O-])[C@@H](Cc1ccccc1Br)NC(=O)c1n[nH]c(=O)[n-]1 ZINC001601423228 1286743895 /nfs/dbraw/zinc/74/38/95/1286743895.db2.gz TXRHTPGZJLRNCA-MRVPVSSYSA-N -2 0 355.148 0.699 20 0 FCADRL O=C([O-])[C@@H](O)CNC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC001601523359 1286778985 /nfs/dbraw/zinc/77/89/85/1286778985.db2.gz BCGRGZRMQDISSL-QMMMGPOBSA-N -2 0 356.278 0.123 20 0 FCADRL O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001601565425 1286783936 /nfs/dbraw/zinc/78/39/36/1286783936.db2.gz YXAHGODYAAKIRV-NSHDSACASA-N -2 0 359.317 0.866 20 0 FCADRL O=C([O-])[C@@H](O)[C@H]1CCCN(S(=O)(=O)CC2(C(=O)[O-])CCCCC2)C1 ZINC001601681921 1286806426 /nfs/dbraw/zinc/80/64/26/1286806426.db2.gz VVKJPOGBEMSFFP-RYUDHWBXSA-N -2 0 363.432 0.509 20 0 FCADRL O=C([O-])C1=NOC2(C1)CCN(S(=O)(=O)c1ccc(C(=O)[O-])cc1)CC2 ZINC001601744685 1286820512 /nfs/dbraw/zinc/82/05/12/1286820512.db2.gz RCGSSDPHMXWBFK-UHFFFAOYSA-N -2 0 368.367 0.769 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)o1 ZINC001601744935 1286820616 /nfs/dbraw/zinc/82/06/16/1286820616.db2.gz STDOJOVXGCJYBA-UHFFFAOYSA-N -2 0 358.328 0.362 20 0 FCADRL O=C([O-])[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H]([C@H]2CCCO2)C1 ZINC001601822333 1286843091 /nfs/dbraw/zinc/84/30/91/1286843091.db2.gz AWZBAUIDHJRHQH-IJLUTSLNSA-N -2 0 368.390 0.340 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C1CCOCC1 ZINC001601908845 1286865938 /nfs/dbraw/zinc/86/59/38/1286865938.db2.gz RSBHTJIOEQRZRF-JTQLQIEISA-N -2 0 363.413 0.995 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCCC1)C1CCOCC1 ZINC001601906906 1286866402 /nfs/dbraw/zinc/86/64/02/1286866402.db2.gz OOSQZPVYRSOQNQ-LBPRGKRZSA-N -2 0 363.432 0.821 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCCC1)C1CCOCC1 ZINC001601906905 1286866445 /nfs/dbraw/zinc/86/64/45/1286866445.db2.gz OOSQZPVYRSOQNQ-GFCCVEGCSA-N -2 0 363.432 0.821 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)N[C@H](Cn2cc(Cl)cn2)C(=O)[O-])CC1 ZINC001601921768 1286871293 /nfs/dbraw/zinc/87/12/93/1286871293.db2.gz KSIZZPLTSQUGTF-SECBINFHSA-N -2 0 365.795 0.164 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC001601915478 1286871468 /nfs/dbraw/zinc/87/14/68/1286871468.db2.gz XBPQDKXCZDUBBC-GFCCVEGCSA-N -3 0 363.369 0.386 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cncc(N2CCCC2=O)c1 ZINC001601999395 1286892911 /nfs/dbraw/zinc/89/29/11/1286892911.db2.gz ZTNGJSJDZUAQKL-UHFFFAOYSA-N -2 0 355.372 0.133 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(Cn2ccnn2)cc1 ZINC001601999221 1286893009 /nfs/dbraw/zinc/89/30/09/1286893009.db2.gz LLMBFZZJEZDLFC-UHFFFAOYSA-N -2 0 352.372 0.251 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC001601998989 1286893624 /nfs/dbraw/zinc/89/36/24/1286893624.db2.gz DOPSZWOFJOSMFN-CYBMUJFWSA-N -2 0 357.384 0.779 20 0 FCADRL O=C([O-])CCOc1ccc(NC(=O)C(=O)[N-]OC2CCOCC2)cc1 ZINC001602024892 1286907578 /nfs/dbraw/zinc/90/75/78/1286907578.db2.gz CRXOGAXEUZWVPJ-UHFFFAOYSA-N -2 0 352.343 0.705 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)Cc1ccc(Br)cc1 ZINC001602027306 1286907924 /nfs/dbraw/zinc/90/79/24/1286907924.db2.gz AHBZNCVESNXELA-UHFFFAOYSA-N -2 0 350.190 0.912 20 0 FCADRL O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CC(CNC(=O)C(F)(F)F)C2)O1 ZINC001602033626 1286910067 /nfs/dbraw/zinc/91/00/67/1286910067.db2.gz BHCWWYAEXMBCCE-VHSXEESVSA-N -2 0 352.309 0.536 20 0 FCADRL O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)[N-]OC/C=C\Cl)cc1 ZINC001602072562 1286926815 /nfs/dbraw/zinc/92/68/15/1286926815.db2.gz BMXHEAQUGDJJBW-BHQIHCQQSA-N -2 0 355.734 0.240 20 0 FCADRL O=C([O-])COC1CCN(S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC001602076246 1286928287 /nfs/dbraw/zinc/92/82/87/1286928287.db2.gz MAHOLNLPMQARNI-UHFFFAOYSA-N -2 0 350.374 0.096 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)[O-])s1 ZINC001602131843 1286944631 /nfs/dbraw/zinc/94/46/31/1286944631.db2.gz PSYFOABWQMDGNI-WPRPVWTQSA-N -2 0 363.413 0.533 20 0 FCADRL O=C([O-])Cc1ccccc1CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC001602146603 1286948184 /nfs/dbraw/zinc/94/81/84/1286948184.db2.gz CBWXWHWDNCSHLK-UHFFFAOYSA-N -2 0 354.322 0.993 20 0 FCADRL O=C([O-])Cc1csc(NC(=O)CN2CCC[C@H](c3n[n-]c(=O)o3)C2)n1 ZINC001602151435 1286948992 /nfs/dbraw/zinc/94/89/92/1286948992.db2.gz VMZBFRYEYDXCRD-QMMMGPOBSA-N -2 0 367.387 0.677 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cn1 ZINC001602164805 1286953625 /nfs/dbraw/zinc/95/36/25/1286953625.db2.gz HTGGCXCWNAFEJU-ZDUSSCGKSA-N -2 0 367.383 0.332 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2nnc(Cc3ccccc3)o2)cn1 ZINC001602164977 1286955663 /nfs/dbraw/zinc/95/56/63/1286955663.db2.gz YIJVNYKHXBIJJM-UHFFFAOYSA-N -2 0 363.355 0.742 20 0 FCADRL O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)c1c([O-])cccc1OC(F)(F)F ZINC001602203181 1286968650 /nfs/dbraw/zinc/96/86/50/1286968650.db2.gz XNIRNNXDBAWDHC-IMTBSYHQSA-N -2 0 371.289 0.811 20 0 FCADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)c1F ZINC001602228416 1286972590 /nfs/dbraw/zinc/97/25/90/1286972590.db2.gz OIQRABMRYTVAFH-RMUHFYJVSA-N -2 0 361.322 0.893 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c(Br)o1 ZINC001602290802 1286982038 /nfs/dbraw/zinc/98/20/38/1286982038.db2.gz TYIGKNNGFSRQHP-RXMQYKEDSA-N -2 0 368.161 0.978 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CS(=O)(=O)c3ccccc32)on1 ZINC001602293233 1286983948 /nfs/dbraw/zinc/98/39/48/1286983948.db2.gz LIAIQZOANSNKCK-SECBINFHSA-N -2 0 358.353 0.180 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCN(C(=O)c3ccco3)CC2)on1 ZINC001602293154 1286984229 /nfs/dbraw/zinc/98/42/29/1286984229.db2.gz IHOBOWXOPHUYLB-UHFFFAOYSA-N -2 0 369.355 0.549 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CCOCC(F)(F)C(F)F)on1 ZINC001602296266 1286985945 /nfs/dbraw/zinc/98/59/45/1286985945.db2.gz XSDQWIXXVQNNOA-UHFFFAOYSA-N -2 0 350.246 0.568 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)c2cnn3c2OCCC3)cc1 ZINC001602355334 1286990535 /nfs/dbraw/zinc/99/05/35/1286990535.db2.gz XLXTXLLWNIANDL-UHFFFAOYSA-N -2 0 365.367 0.624 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)cc1F ZINC001602394077 1286993969 /nfs/dbraw/zinc/99/39/69/1286993969.db2.gz LKUMVAIIEQEYRV-QPUJVOFHSA-N -2 0 361.347 0.370 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccccc2)cc1 ZINC001602396267 1286995445 /nfs/dbraw/zinc/99/54/45/1286995445.db2.gz RDXKIYWALMUIQO-KBPBESRZSA-N -2 0 365.363 0.850 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ncccc2N2CCOCC2)cn1 ZINC001602402765 1286997293 /nfs/dbraw/zinc/99/72/93/1286997293.db2.gz TVACXKBJKRTGGB-UHFFFAOYSA-N -2 0 364.383 0.812 20 0 FCADRL O=C([O-])c1cccc(CCNS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])n1 ZINC001602435670 1287001498 /nfs/dbraw/zinc/00/14/98/1287001498.db2.gz KSKRWEOXVYORNL-WCQYABFASA-N -2 0 356.400 0.885 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC001602451314 1287002142 /nfs/dbraw/zinc/00/21/42/1287002142.db2.gz HHFZMSRBDNWBBP-JTQLQIEISA-N -2 0 352.368 0.201 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2C(=O)C2CC2)c1 ZINC001602451766 1287003835 /nfs/dbraw/zinc/00/38/35/1287003835.db2.gz KPLOEGDLHIQNOJ-ZDUSSCGKSA-N -2 0 366.395 0.591 20 0 FCADRL O=C([O-])c1ccccc1S(=O)(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001602473694 1287005972 /nfs/dbraw/zinc/00/59/72/1287005972.db2.gz YQMGIHRCQLUXNQ-UHFFFAOYSA-N -2 0 352.372 0.777 20 0 FCADRL O=C([O-])c1cn(-c2cccc(NC(=O)N3CCO[C@H](C(=O)[O-])C3)c2)nn1 ZINC001602495086 1287013819 /nfs/dbraw/zinc/01/38/19/1287013819.db2.gz OSCRZXNAQJHUSG-LBPRGKRZSA-N -2 0 361.314 0.283 20 0 FCADRL O=C([O-])c1cnc(C(=O)[N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)cn1 ZINC001602508901 1287020751 /nfs/dbraw/zinc/02/07/51/1287020751.db2.gz AAPGATQTZZJIQA-UHFFFAOYSA-N -2 0 373.350 0.479 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)c1 ZINC001602559469 1287025608 /nfs/dbraw/zinc/02/56/08/1287025608.db2.gz VIVNOBREIUNZIN-UHFFFAOYSA-N -2 0 353.291 0.893 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]C(=O)c2ccc(N3CCCC3)nn2)c1 ZINC001602556247 1287026370 /nfs/dbraw/zinc/02/63/70/1287026370.db2.gz DWEHKSPUTFBYQF-UHFFFAOYSA-N -2 0 366.355 0.487 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)[C@H]1OCCc2ccccc21 ZINC001602583577 1287030586 /nfs/dbraw/zinc/03/05/86/1287030586.db2.gz PFTZDMDKZKWAFS-NSHDSACASA-N -2 0 368.392 0.960 20 0 FCADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)NCC[C@H](O)C(=O)[O-] ZINC001602593820 1287033375 /nfs/dbraw/zinc/03/33/75/1287033375.db2.gz AWVVFCLZKHNRER-QMMMGPOBSA-N -2 0 359.381 0.713 20 0 FCADRL O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001602627811 1287039406 /nfs/dbraw/zinc/03/94/06/1287039406.db2.gz LGEXBQJAHKECKN-GOSISDBHSA-N -2 0 352.350 0.891 20 0 FCADRL O=C([O-])C(F)=C(Nc1cccc(Cl)c1)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001602656477 1287051540 /nfs/dbraw/zinc/05/15/40/1287051540.db2.gz OYJDJAWQSOGXIO-QMMMGPOBSA-N -2 0 357.750 0.960 20 0 FCADRL O=C([O-])C(F)=C(NCc1ccccc1F)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001602656118 1287052804 /nfs/dbraw/zinc/05/28/04/1287052804.db2.gz KTBHGFQDCWYHPO-VIFPVBQESA-N -2 0 355.322 0.123 20 0 FCADRL C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001602796200 1287120890 /nfs/dbraw/zinc/12/08/90/1287120890.db2.gz HMLGDNXKVGESHZ-NXEZZACHSA-N -2 0 352.368 0.421 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)C1=O ZINC001605134675 1287892567 /nfs/dbraw/zinc/89/25/67/1287892567.db2.gz DZIYEGMQKCFYRM-ZDUSSCGKSA-N -2 0 359.335 0.438 20 0 FCADRL Cc1ccc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])nn1 ZINC001605247164 1287914549 /nfs/dbraw/zinc/91/45/49/1287914549.db2.gz NPPSMPHEORITJT-WPRPVWTQSA-N -2 0 360.292 0.521 20 0 FCADRL CCOC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001605551261 1287998209 /nfs/dbraw/zinc/99/82/09/1287998209.db2.gz PXMZANIKQUQABL-SECBINFHSA-N -2 0 374.371 0.651 20 0 FCADRL Cc1cc(S(=O)(=O)NC[C@H](C(=O)[O-])C2CCC2)ccc1-c1nn[nH]n1 ZINC001605750992 1288070758 /nfs/dbraw/zinc/07/07/58/1288070758.db2.gz BHCSTZNWMBNTOE-ZDUSSCGKSA-N -2 0 365.415 0.954 20 0 FCADRL CCc1ccc(NC(=C(F)C(=O)[O-])c2c([O-])[nH]c(=S)[nH]c2=O)cc1 ZINC001605816223 1288093620 /nfs/dbraw/zinc/09/36/20/1288093620.db2.gz MUPYAILTGOEFOV-SNVBAGLBSA-N -2 0 351.359 0.869 20 0 FCADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])n1 ZINC001605832219 1288096808 /nfs/dbraw/zinc/09/68/08/1288096808.db2.gz IJEDWRBRMQFELM-CYBMUJFWSA-N -2 0 372.381 0.556 20 0 FCADRL Cc1cnc(CC(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)s1 ZINC001605976327 1288117505 /nfs/dbraw/zinc/11/75/05/1288117505.db2.gz ZDXGIBOZKDFAEE-UHFFFAOYSA-N -2 0 372.370 0.666 20 0 FCADRL Cc1nn(CC(=O)[N-]OCc2ccccc2)c(=O)c(-c2nnn[n-]2)c1C ZINC001609459701 1289162130 /nfs/dbraw/zinc/16/21/30/1289162130.db2.gz XIBHODVDHRDBDZ-UHFFFAOYSA-N -2 0 355.358 0.288 20 0 FCADRL CN(Cc1nc(=O)c2sccc2[n-]1)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001606177474 1288200812 /nfs/dbraw/zinc/20/08/12/1288200812.db2.gz JMWZTOQZZGRBJO-UHFFFAOYSA-N -2 0 369.384 0.639 20 0 FCADRL CN1C(=O)CN([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)C1=O ZINC001606189512 1288204265 /nfs/dbraw/zinc/20/42/65/1288204265.db2.gz OCXZBAAQUMOHJQ-UHFFFAOYSA-N -2 0 365.726 0.265 20 0 FCADRL COC(=O)[C@@H]1CCN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)[C@H](C(=O)[O-])C1 ZINC001606404676 1288289781 /nfs/dbraw/zinc/28/97/81/1288289781.db2.gz UMOUVFZHFUHMCH-YPMHNXCESA-N -2 0 367.402 0.240 20 0 FCADRL COC(=O)N1CCC(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])CC1 ZINC001606489640 1288341997 /nfs/dbraw/zinc/34/19/97/1288341997.db2.gz CVSWZWXEZIABHT-IUCAKERBSA-N -2 0 350.393 0.020 20 0 FCADRL COC(=O)c1c(C)n[n-]c1S(=O)(=O)Oc1ccc(C(=O)[O-])cc1OC ZINC001606525174 1288363418 /nfs/dbraw/zinc/36/34/18/1288363418.db2.gz ORZLVVRPNXLJBN-UHFFFAOYSA-N -2 0 370.339 0.979 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NCCCCC(=O)[O-])c1 ZINC001606532161 1288367349 /nfs/dbraw/zinc/36/73/49/1288367349.db2.gz XWVIYMZZMLTQKM-UHFFFAOYSA-N -2 0 359.356 0.705 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@H](C)[C@H](C)C(=O)[O-])c1 ZINC001606579856 1288393398 /nfs/dbraw/zinc/39/33/98/1288393398.db2.gz SFNSBKMRKQNWFQ-JGVFFNPUSA-N -2 0 359.356 0.559 20 0 FCADRL COC(=O)c1ccc(CC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])cc1 ZINC001606586794 1288397975 /nfs/dbraw/zinc/39/79/75/1288397975.db2.gz NMPQEGRANBHMBM-VHSXEESVSA-N -2 0 357.384 0.571 20 0 FCADRL COC(=O)c1ccc(NC(=O)C(=O)[N-]OC/C=C\Cl)cc1C(=O)[O-] ZINC001606594979 1288400581 /nfs/dbraw/zinc/40/05/81/1288400581.db2.gz LWFAVHAWNOEYAL-DJWKRKHSSA-N -2 0 356.718 0.910 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001606637020 1288419063 /nfs/dbraw/zinc/41/90/63/1288419063.db2.gz QPLFHUCGZONEJK-WHFBIAKZSA-N -2 0 356.328 0.174 20 0 FCADRL COC(CN(CCC(=O)[O-])S(=O)(=O)c1cc([O-])cc(F)c1)OC ZINC001606674678 1288434369 /nfs/dbraw/zinc/43/43/69/1288434369.db2.gz NGJVYEUMNYSCEG-UHFFFAOYSA-N -2 0 351.352 0.616 20 0 FCADRL CO[C@H](CS(=O)(=O)[N-]c1nc(CC(=O)[O-])cs1)[C@@H]1CCOC1 ZINC001606683622 1288439369 /nfs/dbraw/zinc/43/93/69/1288439369.db2.gz XVPVVZHZWUQURS-PSASIEDQSA-N -2 0 350.418 0.563 20 0 FCADRL CO[C@H]1CN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)[C@@](C)(C(=O)[O-])C1 ZINC001606773683 1288506901 /nfs/dbraw/zinc/50/69/01/1288506901.db2.gz ZGIZBYBHQDDDRO-MEBBXXQBSA-N -2 0 353.400 0.573 20 0 FCADRL COCC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)C(=O)[O-] ZINC001606862962 1288542510 /nfs/dbraw/zinc/54/25/10/1288542510.db2.gz MCLTYHBSHYZUMH-SECBINFHSA-N -2 0 351.764 0.806 20 0 FCADRL COCCOc1ccnc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1 ZINC001606917602 1288562255 /nfs/dbraw/zinc/56/22/55/1288562255.db2.gz QDLNAVYQANCHKV-UHFFFAOYSA-N -2 0 356.360 0.339 20 0 FCADRL COc1c(S(=O)(=O)[N-]C(=O)c2cccc(CC(=O)[O-])c2)c(C)nn1C ZINC001607050002 1288618947 /nfs/dbraw/zinc/61/89/47/1288618947.db2.gz MZMLDZIUBHHFKF-UHFFFAOYSA-N -2 0 367.383 0.483 20 0 FCADRL COc1ccc(C(=O)CCCCC(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1 ZINC001607203061 1288684085 /nfs/dbraw/zinc/68/40/85/1288684085.db2.gz XVUCUZWAEWGHLH-UHFFFAOYSA-N -2 0 357.384 0.969 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])cc1C(=O)[O-] ZINC001607286305 1288693887 /nfs/dbraw/zinc/69/38/87/1288693887.db2.gz YZCOZXWSQCYPLT-QMMMGPOBSA-N -2 0 353.299 0.780 20 0 FCADRL COc1ccc2c(c1)C[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])CO2 ZINC001607293608 1288696426 /nfs/dbraw/zinc/69/64/26/1288696426.db2.gz MTDNSGAOTPHYJR-NHCYSSNCSA-N -2 0 371.411 0.802 20 0 FCADRL C[C@H](O)[C@H]([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)OCc1ccccc1 ZINC001607461472 1288713804 /nfs/dbraw/zinc/71/38/04/1288713804.db2.gz ASVXEIBHIKENKU-AAEUAGOBSA-N -2 0 373.427 0.509 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1 ZINC001607518165 1288723407 /nfs/dbraw/zinc/72/34/07/1288723407.db2.gz DNZHTMGPRVGMKL-HNNXBMFYSA-N -3 0 371.367 0.633 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c(C)n1-c1ccn(C)n1 ZINC001607579987 1288727212 /nfs/dbraw/zinc/72/72/12/1288727212.db2.gz MMUVDABZVRJMIJ-UHFFFAOYSA-N -2 0 368.415 0.752 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])nn1-c1cc(C)cc(C)c1 ZINC001607623502 1288730711 /nfs/dbraw/zinc/73/07/11/1288730711.db2.gz BFKPUNUTDQISAE-UHFFFAOYSA-N -2 0 351.384 0.942 20 0 FCADRL Cc1ccnc2c1cccc2S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001607896640 1288743862 /nfs/dbraw/zinc/74/38/62/1288743862.db2.gz MRJRFGAHKIWGQO-NEPJUHHUSA-N -2 0 364.379 0.980 20 0 FCADRL Cc1nc([N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)sc1C(=O)[O-] ZINC001607965982 1288752997 /nfs/dbraw/zinc/75/29/97/1288752997.db2.gz GZMNIZXTTYCAIK-UHFFFAOYSA-N -2 0 372.428 0.991 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-])c(Br)n1C ZINC001607967896 1288753254 /nfs/dbraw/zinc/75/32/54/1288753254.db2.gz KSUZPBYAAQZBKM-RXMQYKEDSA-N -2 0 368.209 0.407 20 0 FCADRL Cn1cc(S(=O)(=O)N2C[C@H](OC(C)(C)C)C[C@H]2C(=O)[O-])cc1C(=O)[O-] ZINC001608122035 1288775059 /nfs/dbraw/zinc/77/50/59/1288775059.db2.gz RILFKOZDDKGRAH-SKDRFNHKSA-N -2 0 374.415 0.755 20 0 FCADRL Cn1ncc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1C(F)(F)F ZINC001608155224 1288783430 /nfs/dbraw/zinc/78/34/30/1288783430.db2.gz DXLIUKLOMSUWFZ-UHFFFAOYSA-N -2 0 357.310 0.609 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)CCn1ccccc1=O ZINC001608324350 1288818758 /nfs/dbraw/zinc/81/87/58/1288818758.db2.gz ZJJVOGHZFZNXCX-UHFFFAOYSA-N -2 0 356.381 0.503 20 0 FCADRL O=C([O-])[C@@H]1CCCN(CC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)C1=O ZINC001608334218 1288823450 /nfs/dbraw/zinc/82/34/50/1288823450.db2.gz YRODKZXTFAKSOO-LLVKDONJSA-N -2 0 360.326 0.292 20 0 FCADRL O=C([O-])c1ccccc1CC(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC001608367955 1288830349 /nfs/dbraw/zinc/83/03/49/1288830349.db2.gz NJTFSGJWDRIIRZ-UHFFFAOYSA-N -2 0 373.337 0.894 20 0 FCADRL O=C([O-])[C@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CCCCCC1 ZINC001608373251 1288831772 /nfs/dbraw/zinc/83/17/72/1288831772.db2.gz KXIAPQOTELJPRD-GFCCVEGCSA-N -2 0 361.402 0.859 20 0 FCADRL O=C([O-])[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC001608459545 1288845203 /nfs/dbraw/zinc/84/52/03/1288845203.db2.gz GFQDTXWEWRKMKL-AWEZNQCLSA-N -2 0 364.379 0.663 20 0 FCADRL O=C([O-])[C@@H](C[C@H]1CCOC1)NS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001608532177 1288854925 /nfs/dbraw/zinc/85/49/25/1288854925.db2.gz FZYIKUZLJULMQB-VXGBXAGGSA-N -2 0 363.432 0.821 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)N2CC[C@H]([C@@H]3CCCO3)[C@@H]2C(=O)[O-])CC1 ZINC001608681528 1288863221 /nfs/dbraw/zinc/86/32/21/1288863221.db2.gz UUDXXGNNQDLFLR-NTZNESFSSA-N -2 0 361.416 0.525 20 0 FCADRL O=C([O-])CCN(Cc1cccnc1)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001608722627 1288870148 /nfs/dbraw/zinc/87/01/48/1288870148.db2.gz VCLQQXDLSIDVSW-UHFFFAOYSA-N -2 0 356.400 0.943 20 0 FCADRL O=C([O-])c1cc(F)ccc1S(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC001608852082 1288875702 /nfs/dbraw/zinc/87/57/02/1288875702.db2.gz YWBBVBSANDKRGN-PRHODGIISA-N -2 0 361.347 0.370 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H](O)COc2ccc(F)cc2)on1 ZINC001608860864 1288877165 /nfs/dbraw/zinc/87/71/65/1288877165.db2.gz DMXSILLGXCCHSK-VIFPVBQESA-N -2 0 360.319 0.230 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@]2(CO)C[C@@H]2c2ccccc2)on1 ZINC001608861047 1288878017 /nfs/dbraw/zinc/87/80/17/1288878017.db2.gz MZQNZZFOYTXJHE-IAQYHMDHSA-N -2 0 352.368 0.817 20 0 FCADRL O=C([O-])C(F)=C(Nc1ccc(Cl)cc1)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001609043709 1288885459 /nfs/dbraw/zinc/88/54/59/1288885459.db2.gz FHJDEBCSDHXQLM-MRVPVSSYSA-N -2 0 357.750 0.960 20 0 FCADRL O=C([O-])C(F)=C(NCCCc1ccccc1)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001609044499 1288886935 /nfs/dbraw/zinc/88/69/35/1288886935.db2.gz RBHISIQGAKAJEN-LLVKDONJSA-N -2 0 365.386 0.417 20 0 FCADRL CC1(C)CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)[C@H]1C(=O)[O-] ZINC001609145310 1288947072 /nfs/dbraw/zinc/94/70/72/1288947072.db2.gz JXXRCRARMMVDNU-JTQLQIEISA-N -2 0 355.376 0.724 20 0 FCADRL CC[C@@H]1CC[C@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)O1 ZINC001609198951 1288983756 /nfs/dbraw/zinc/98/37/56/1288983756.db2.gz LZFOQYOMMWZXKG-MWLCHTKSSA-N -2 0 359.346 0.616 20 0 FCADRL O=S(=O)([N-]c1cnc(Cl)cc1-c1nnn[n-]1)c1cnc2n1CCC2 ZINC001609596400 1289253265 /nfs/dbraw/zinc/25/32/65/1289253265.db2.gz HLQUQZRAVIJJRV-UHFFFAOYSA-N -2 0 366.794 0.859 20 0 FCADRL CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001609621628 1289265441 /nfs/dbraw/zinc/26/54/41/1289265441.db2.gz SFYVVNUKDWRCMD-SSDOTTSWSA-N -2 0 364.401 0.046 20 0 FCADRL CC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)n(C)c1 ZINC001609628223 1289267322 /nfs/dbraw/zinc/26/73/22/1289267322.db2.gz JOABLCIGUSGHIJ-UHFFFAOYSA-N -2 0 354.340 0.946 20 0 FCADRL CC(=O)Nc1cccc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])c1 ZINC001609625083 1289267354 /nfs/dbraw/zinc/26/73/54/1289267354.db2.gz JZBQHIDFJKXJMU-UHFFFAOYSA-N -2 0 369.380 0.918 20 0 FCADRL CC(=O)Nc1cccc(CC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])c1 ZINC001609625038 1289267712 /nfs/dbraw/zinc/26/77/12/1289267712.db2.gz IAOPULFWKPNEPE-VHSXEESVSA-N -2 0 356.400 0.743 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1ccoc1 ZINC001609638524 1289270071 /nfs/dbraw/zinc/27/00/71/1289270071.db2.gz HORWIJCGSGRGIU-IUCAKERBSA-N -2 0 355.372 0.849 20 0 FCADRL C[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001609639501 1289270729 /nfs/dbraw/zinc/27/07/29/1289270729.db2.gz YRMPYKBLUWWCCM-HLTSFMKQSA-N -2 0 352.409 0.455 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(-c2nc[nH]n2)c1 ZINC001609639325 1289270817 /nfs/dbraw/zinc/27/08/17/1289270817.db2.gz VQJGQZIGTWIJNG-DTWKUNHWSA-N -2 0 352.372 0.641 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1C(F)(F)F ZINC001609638763 1289270931 /nfs/dbraw/zinc/27/09/31/1289270931.db2.gz KYNFSVQMPPPCRQ-WDSKDSINSA-N -2 0 357.310 0.608 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)c1ccsc1 ZINC001609639472 1289270960 /nfs/dbraw/zinc/27/09/60/1289270960.db2.gz YDGVUYLNAVHRLF-BDAKNGLRSA-N -2 0 362.429 0.423 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC001609643880 1289272104 /nfs/dbraw/zinc/27/21/04/1289272104.db2.gz RRCCDKVBUAEMIM-MRVPVSSYSA-N -2 0 374.802 1.000 20 0 FCADRL CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001609662542 1289275667 /nfs/dbraw/zinc/27/56/67/1289275667.db2.gz MUQJHBXXBHEXKD-SECBINFHSA-N -2 0 350.393 0.307 20 0 FCADRL CC(C)(C)OC(=O)N(CC(=O)[N-]S(=O)(=O)CC(=O)[O-])CC1CC1 ZINC001609660062 1289275776 /nfs/dbraw/zinc/27/57/76/1289275776.db2.gz WQLIGFHZDKKAFE-UHFFFAOYSA-N -2 0 350.393 0.164 20 0 FCADRL CC(C)(CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1)CCC(=O)[O-] ZINC001609674892 1289277800 /nfs/dbraw/zinc/27/78/00/1289277800.db2.gz BZDGUNPKDDPGBE-UHFFFAOYSA-N -2 0 350.437 0.899 20 0 FCADRL CC(C)C(=O)N(C)Cc1ccc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cc1 ZINC001609682424 1289278704 /nfs/dbraw/zinc/27/87/04/1289278704.db2.gz KJYWBACGJUOSLG-UHFFFAOYSA-N -2 0 370.427 0.835 20 0 FCADRL CC(C)NC(=O)Nc1ccccc1C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001609707305 1289283284 /nfs/dbraw/zinc/28/32/84/1289283284.db2.gz CUFJMDRKLBYGIF-VIFPVBQESA-N -2 0 357.388 0.749 20 0 FCADRL C[C@@](CO)(CNS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)CC(=O)[O-] ZINC001609746988 1289289918 /nfs/dbraw/zinc/28/99/18/1289289918.db2.gz SNFUONXZSZESGC-ZDUSSCGKSA-N -2 0 365.791 0.790 20 0 FCADRL C[C@@](O)(CNC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1)C(=O)[O-] ZINC001609785954 1289296886 /nfs/dbraw/zinc/29/68/86/1289296886.db2.gz URIBUZRIWZYERE-LLVKDONJSA-N -2 0 370.305 0.514 20 0 FCADRL C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)C1 ZINC001609811987 1289301911 /nfs/dbraw/zinc/30/19/11/1289301911.db2.gz WJWILFCCVIMLIS-SJCJKPOMSA-N -2 0 362.338 0.188 20 0 FCADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)C1 ZINC001609839684 1289310314 /nfs/dbraw/zinc/31/03/14/1289310314.db2.gz MQZUYVYHWDNRQN-GRYCIOLGSA-N -2 0 352.387 0.269 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])[C@H](C(=O)[O-])[C@@H](C)O1 ZINC001609873875 1289321244 /nfs/dbraw/zinc/32/12/44/1289321244.db2.gz GCPQQKIQUFKDKF-RWYTXXIDSA-N -2 0 361.347 0.775 20 0 FCADRL CC[C@@](C)(OC)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001609897675 1289324991 /nfs/dbraw/zinc/32/49/91/1289324991.db2.gz SJVCHQMOVZGIDJ-OAHLLOKOSA-N -2 0 359.400 0.942 20 0 FCADRL CC[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)OC)c1)C(=O)[O-] ZINC001609920884 1289328025 /nfs/dbraw/zinc/32/80/25/1289328025.db2.gz OOIMPZDVEPPEGP-QMMMGPOBSA-N -2 0 359.356 0.561 20 0 FCADRL CCC1(C(=O)[N-]S(=O)(=O)c2ccc(OC)cc2CC(=O)[O-])COC1 ZINC001609940437 1289331499 /nfs/dbraw/zinc/33/14/99/1289331499.db2.gz ZCDHBGZJMLFTNE-UHFFFAOYSA-N -2 0 357.384 0.554 20 0 FCADRL CCC[C@H](O)[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)C(=O)[O-] ZINC001609958324 1289333894 /nfs/dbraw/zinc/33/38/94/1289333894.db2.gz PDQAUDRQPARDCF-WDEREUQCSA-N -2 0 365.791 0.931 20 0 FCADRL CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001610019155 1289346947 /nfs/dbraw/zinc/34/69/47/1289346947.db2.gz MIHGEBGWJXCPDR-UHFFFAOYSA-N -2 0 350.374 0.387 20 0 FCADRL CCOC[C@H](C(=O)[O-])N(C)C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC001610030021 1289352042 /nfs/dbraw/zinc/35/20/42/1289352042.db2.gz HLEHEWBNLMOZRE-GFCCVEGCSA-N -2 0 365.411 0.633 20 0 FCADRL CCOc1nc2cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])ccc2[nH]1 ZINC001610048824 1289357432 /nfs/dbraw/zinc/35/74/32/1289357432.db2.gz RCCDPKUVRWPTKO-UHFFFAOYSA-N -2 0 355.372 0.886 20 0 FCADRL CC[C@H](C)[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001610052550 1289359153 /nfs/dbraw/zinc/35/91/53/1289359153.db2.gz AKDXXAYQKHSLRN-HZMBPMFUSA-N -2 0 370.427 0.882 20 0 FCADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](C)O[C@H](C)[C@H]1C(=O)[O-] ZINC001610079231 1289363610 /nfs/dbraw/zinc/36/36/10/1289363610.db2.gz QUYDJMGGVBYKRS-SXMVTHIZSA-N -2 0 361.372 0.791 20 0 FCADRL CCn1ncc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC001610086546 1289365642 /nfs/dbraw/zinc/36/56/42/1289365642.db2.gz NPQWYSPUUBYDLH-UHFFFAOYSA-N -2 0 358.763 0.768 20 0 FCADRL COC(=O)[C@H](CC(=O)[O-])NC(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC001610150460 1289400679 /nfs/dbraw/zinc/40/06/79/1289400679.db2.gz FMYJMHMKFAFBKB-NSHDSACASA-N -2 0 363.326 0.333 20 0 FCADRL COC(=O)CC[C@H](NS(=O)(=O)c1cccc(C)c1C(=O)[O-])C(=O)[O-] ZINC001610182537 1289414091 /nfs/dbraw/zinc/41/40/91/1289414091.db2.gz MCUSDNWVTJUNMG-VIFPVBQESA-N -2 0 359.356 0.378 20 0 FCADRL COC(=O)c1cc(NC(=O)CN(CC(=O)[O-])C(C)C)cc(C(=O)[O-])c1 ZINC001610203715 1289425445 /nfs/dbraw/zinc/42/54/45/1289425445.db2.gz XXPMYAGTDITXJP-UHFFFAOYSA-N -2 0 352.343 0.905 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)N(C)CCCC(=O)[O-])c(C(=O)[O-])s1 ZINC001610204448 1289425757 /nfs/dbraw/zinc/42/57/57/1289425757.db2.gz WYGXRVOGRGBBDQ-UHFFFAOYSA-N -2 0 365.385 0.718 20 0 FCADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])nn1 ZINC001610215869 1289429201 /nfs/dbraw/zinc/42/92/01/1289429201.db2.gz VSBFVQXPEGWBPQ-UHFFFAOYSA-N -2 0 355.303 0.901 20 0 FCADRL COCCOc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])ccn1 ZINC001610262676 1289443151 /nfs/dbraw/zinc/44/31/51/1289443151.db2.gz ZTQJTMKOBPOHJS-UWVGGRQHSA-N -2 0 360.388 0.276 20 0 FCADRL COc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c(C)nn1C ZINC001610278806 1289448235 /nfs/dbraw/zinc/44/82/35/1289448235.db2.gz ZFMWMZHWVIVMLE-NXEZZACHSA-N -2 0 359.404 0.433 20 0 FCADRL COc1cc(C)c(S(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])no2)cc1OC ZINC001610290715 1289453230 /nfs/dbraw/zinc/45/32/30/1289453230.db2.gz APYVUKAVPBFVOI-UHFFFAOYSA-N -2 0 370.339 0.817 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-] ZINC001610316981 1289458962 /nfs/dbraw/zinc/45/89/62/1289458962.db2.gz PDIKZMUVSGIJEZ-SECBINFHSA-N -2 0 361.372 0.240 20 0 FCADRL COc1ccc([C@@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)[O-])cc1F ZINC001610323387 1289460109 /nfs/dbraw/zinc/46/01/09/1289460109.db2.gz PMXVGRLDHBHDIX-LLVKDONJSA-N -2 0 363.363 0.990 20 0 FCADRL COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)c2cncc(C(=O)[O-])c2)c1 ZINC001610344317 1289464914 /nfs/dbraw/zinc/46/49/14/1289464914.db2.gz VPCFWQHYOVFOLD-UHFFFAOYSA-N -2 0 366.351 0.916 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]c2nc(C)n(C)n2)c(OC)c1C(=O)[O-] ZINC001610349642 1289467995 /nfs/dbraw/zinc/46/79/95/1289467995.db2.gz KTXOXRVHMDFHRS-UHFFFAOYSA-N -2 0 356.360 0.640 20 0 FCADRL COc1ncc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])cc1Cl ZINC001610370933 1289471161 /nfs/dbraw/zinc/47/11/61/1289471161.db2.gz MRRWRVAJAAXSPW-NKWVEPMBSA-N -2 0 350.780 0.912 20 0 FCADRL C[S@@](=O)c1ccc(CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc1 ZINC001610379309 1289475988 /nfs/dbraw/zinc/47/59/88/1289475988.db2.gz IZRBRTNNZMGLHT-JOCHJYFZSA-N -2 0 361.441 0.523 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N[C@@H](Cc1ccncn1)C(=O)[O-] ZINC001610408900 1289481741 /nfs/dbraw/zinc/48/17/41/1289481741.db2.gz QPIPOPDBQHQXCX-LBPRGKRZSA-N -2 0 365.367 0.457 20 0 FCADRL Cc1c(Cl)c(C(=O)[O-])sc1S(=O)(=O)N[C@H](CCO)C(=O)[O-] ZINC001610427582 1289485808 /nfs/dbraw/zinc/48/58/08/1289485808.db2.gz IPURHWASPKPYPT-RXMQYKEDSA-N -2 0 357.793 0.522 20 0 FCADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c1 ZINC001610437571 1289487563 /nfs/dbraw/zinc/48/75/63/1289487563.db2.gz GDVVBPQLESRDJO-UHFFFAOYSA-N -3 0 357.319 0.914 20 0 FCADRL Cc1oc(S(=O)(=O)NCCc2nc(CC(=O)[O-])cs2)cc1C(=O)[O-] ZINC001610586624 1289517995 /nfs/dbraw/zinc/51/79/95/1289517995.db2.gz KOLCQXRJNHVJIS-UHFFFAOYSA-N -2 0 374.396 0.891 20 0 FCADRL NC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC001610636490 1289536477 /nfs/dbraw/zinc/53/64/77/1289536477.db2.gz WRKBFOFLTWOFLP-NXEZZACHSA-N -2 0 354.384 0.481 20 0 FCADRL NS(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001610645888 1289540536 /nfs/dbraw/zinc/54/05/36/1289540536.db2.gz OPMYIGVKTAVGCO-UHFFFAOYSA-N -2 0 374.371 0.972 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)Cc2cnn3ccccc23)CC1 ZINC001610675589 1289548514 /nfs/dbraw/zinc/54/85/14/1289548514.db2.gz RGJRICAOMZDELZ-UHFFFAOYSA-N -2 0 366.399 0.034 20 0 FCADRL O=C([O-])[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001610718008 1289566995 /nfs/dbraw/zinc/56/69/95/1289566995.db2.gz ZGXUMQLYDQUGRZ-GFCCVEGCSA-N -2 0 362.448 0.490 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001610753742 1289578281 /nfs/dbraw/zinc/57/82/81/1289578281.db2.gz WFOJCABBHXWYFI-ISTVAULSSA-N -3 0 363.388 0.211 20 0 FCADRL O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC001610760670 1289582168 /nfs/dbraw/zinc/58/21/68/1289582168.db2.gz ZJLNZFCEKSVECC-LBPRGKRZSA-N -2 0 374.393 0.983 20 0 FCADRL O=C([O-])CCCS(=O)(=O)N(CC(=O)[O-])Cc1ccc2c(c1)OCCO2 ZINC001610771285 1289586666 /nfs/dbraw/zinc/58/66/66/1289586666.db2.gz ITCJDSJODNEAEC-UHFFFAOYSA-N -2 0 373.383 0.539 20 0 FCADRL O=C([O-])CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001610782083 1289590127 /nfs/dbraw/zinc/59/01/27/1289590127.db2.gz VMNIIIHZIZWGIN-UHFFFAOYSA-N -2 0 364.232 0.465 20 0 FCADRL O=C([O-])COC1CCN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)CC1 ZINC001610784961 1289592543 /nfs/dbraw/zinc/59/25/43/1289592543.db2.gz CHEPZAZSGRKHAJ-UHFFFAOYSA-N -2 0 361.347 0.778 20 0 FCADRL O=C([O-])COc1cccc(CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC001610788019 1289593103 /nfs/dbraw/zinc/59/31/03/1289593103.db2.gz VPIDDYBQAUTSTI-NWDGAFQWSA-N -2 0 364.354 0.136 20 0 FCADRL O=C([O-])c1cc(NC(=O)c2n[nH]c(=O)[n-]c2=O)ccc1Br ZINC001610813492 1289599083 /nfs/dbraw/zinc/59/90/83/1289599083.db2.gz DNZREKQHFKUTGO-UHFFFAOYSA-N -2 0 355.104 0.996 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@]2(F)CCOC2)cc1Cl ZINC001610837536 1289604196 /nfs/dbraw/zinc/60/41/96/1289604196.db2.gz AELZSPQEXXUCIV-LBPRGKRZSA-N -2 0 351.739 0.972 20 0 FCADRL O=C([O-])c1cnc([N-]S(=O)(=O)c2ccccc2Cn2cncn2)cn1 ZINC001610863200 1289612423 /nfs/dbraw/zinc/61/24/23/1289612423.db2.gz SMJOHIPIEPVGHY-UHFFFAOYSA-N -2 0 360.355 0.615 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1cncnc1-n1cccn1 ZINC001610871542 1289614328 /nfs/dbraw/zinc/61/43/28/1289614328.db2.gz NUMGPRDZIRHRSY-UHFFFAOYSA-N -2 0 352.357 0.618 20 0 FCADRL CCOC(=O)c1[nH]cnc1NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148915716 849620387 /nfs/dbraw/zinc/62/03/87/849620387.db2.gz ZTTGSONVWCFWHG-UHFFFAOYSA-N -2 0 355.328 0.791 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cnn2cc(Br)cnc12 ZINC001151129914 849678245 /nfs/dbraw/zinc/67/82/45/849678245.db2.gz DCTPBGPSCJCVJE-UHFFFAOYSA-N -2 0 365.080 0.331 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cn2cc(Br)sc2n1 ZINC001154128341 849778038 /nfs/dbraw/zinc/77/80/38/849778038.db2.gz PFEYVSWVFYQFQJ-UHFFFAOYSA-N -2 0 370.121 0.997 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1cc2c(Br)cccn2n1 ZINC001154745641 849810488 /nfs/dbraw/zinc/81/04/88/849810488.db2.gz XUYJKNJMDYUDDJ-UHFFFAOYSA-N -2 0 364.092 0.936 20 0 FCADRL O=P([O-])([O-])OCCNc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC001157795659 849995915 /nfs/dbraw/zinc/99/59/15/849995915.db2.gz JXBIFDPCZXTVGU-UHFFFAOYSA-N -2 0 351.321 0.387 20 0 FCADRL CCOC(=O)Cc1cnc(SC)nc1NCCOP(=O)([O-])[O-] ZINC001168586788 850590411 /nfs/dbraw/zinc/59/04/11/850590411.db2.gz LCOGDMKTBOEVBQ-UHFFFAOYSA-N -2 0 351.321 0.825 20 0 FCADRL O=P([O-])([O-])OCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001168592542 850590447 /nfs/dbraw/zinc/59/04/47/850590447.db2.gz UUPYYXDCLAHRPU-UHFFFAOYSA-N -2 0 366.332 0.229 20 0 FCADRL COc1cccc(N2C[C@@H](C(=O)NCCOP(=O)([O-])[O-])CC2=O)c1 ZINC001178635065 850912119 /nfs/dbraw/zinc/91/21/19/850912119.db2.gz BWEPSDWFQGEHMH-JTQLQIEISA-N -2 0 358.287 0.274 20 0 FCADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(N(C)CCO)ncn1 ZINC001185877437 851394522 /nfs/dbraw/zinc/39/45/22/851394522.db2.gz LLSFBRBAOHQGAX-UHFFFAOYSA-N -2 0 366.399 0.713 20 0 FCADRL COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186202273 851418051 /nfs/dbraw/zinc/41/80/51/851418051.db2.gz LXYONLQZUZRHBV-JTQLQIEISA-N -2 0 363.319 0.209 20 0 FCADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)NCCOP(=O)([O-])[O-])c1 ZINC001187596115 851583366 /nfs/dbraw/zinc/58/33/66/851583366.db2.gz RSCIQKFLODCOBE-UHFFFAOYSA-N -3 0 359.680 0.426 20 0 FCADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001189887425 851837256 /nfs/dbraw/zinc/83/72/56/851837256.db2.gz OXTWMMWTCQEFJO-UHFFFAOYSA-N -2 0 367.254 0.558 20 0 FCADRL O=C(Nc1[nH]c(=O)nc2nc[nH]c21)c1ccccc1OP(=O)([O-])[O-] ZINC001189898376 851839011 /nfs/dbraw/zinc/83/90/11/851839011.db2.gz AYACHSISAHZGFU-UHFFFAOYSA-N -2 0 351.215 0.782 20 0 FCADRL O=C([O-])c1cc(C(=O)Nc2ncccc2CCO)cc(S(=O)(=O)[O-])c1 ZINC001189913901 851841341 /nfs/dbraw/zinc/84/13/41/851841341.db2.gz ADDJPNRLUPVUMU-UHFFFAOYSA-N -2 0 366.351 0.814 20 0 FCADRL O=C([O-])c1cc(C(=O)N2C[C@H](F)C[C@H](CO)C2)cc(S(=O)(=O)[O-])c1 ZINC001189915841 851841412 /nfs/dbraw/zinc/84/14/12/851841412.db2.gz XXUXQVFPNLKTIG-GZMMTYOYSA-N -2 0 361.347 0.424 20 0 FCADRL O=C([O-])c1cc(C(=O)N2CCC3(C2)OCCO3)cc(S(=O)(=O)[O-])c1 ZINC001189923403 851842657 /nfs/dbraw/zinc/84/26/57/851842657.db2.gz KCKDZLJZYGEATA-UHFFFAOYSA-N -2 0 357.340 0.221 20 0 FCADRL Cc1nc(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)cc(=O)[nH]1 ZINC001189915903 851842685 /nfs/dbraw/zinc/84/26/85/851842685.db2.gz YUXZRYXUKKMQIP-UHFFFAOYSA-N -2 0 353.312 0.688 20 0 FCADRL CN(CC[NH+]1CCCC1)C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189923922 851844184 /nfs/dbraw/zinc/84/41/84/851844184.db2.gz FWLKAGROCUBZOM-UHFFFAOYSA-N -2 0 356.400 0.799 20 0 FCADRL O=C([O-])c1cc(C(=O)N[C@H]2CCc3n[nH]cc3C2)cc(S(=O)(=O)[O-])c1 ZINC001189934385 851845582 /nfs/dbraw/zinc/84/55/82/851845582.db2.gz SZCXRJAGPKMFCM-NSHDSACASA-N -2 0 365.367 0.642 20 0 FCADRL Cc1nccnc1CNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189941155 851846520 /nfs/dbraw/zinc/84/65/20/851846520.db2.gz BIZUQQHONHTLQW-UHFFFAOYSA-N -2 0 351.340 0.660 20 0 FCADRL CCOC(=O)CC(=N)NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189934762 851846552 /nfs/dbraw/zinc/84/65/52/851846552.db2.gz XULWCBBZGKKCHH-UHFFFAOYSA-N -2 0 358.328 0.292 20 0 FCADRL C[C@@H]1COCCN1CCNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189941868 851847185 /nfs/dbraw/zinc/84/71/85/851847185.db2.gz SSZSNUZLHUJXLY-SNVBAGLBSA-N -2 0 372.399 0.082 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]c2c(C(N)=O)cnn2C)cc1C(=O)[O-] ZINC001192608540 852264122 /nfs/dbraw/zinc/26/41/22/852264122.db2.gz OQSVTDNBQNWFLB-UHFFFAOYSA-N -2 0 368.371 0.417 20 0 FCADRL COC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2nccn2C)cc1 ZINC001193603737 852458207 /nfs/dbraw/zinc/45/82/07/852458207.db2.gz IJSZNZPPUVDCSV-UHFFFAOYSA-N -2 0 374.400 0.266 20 0 FCADRL Cc1noc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1C(N)=O ZINC001195188903 852721110 /nfs/dbraw/zinc/72/11/10/852721110.db2.gz AAJGGTCPVRILAH-UHFFFAOYSA-N -2 0 361.282 0.859 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n(CCO)n1 ZINC001195188937 852721635 /nfs/dbraw/zinc/72/16/35/852721635.db2.gz AJZXFEOQRUDENK-UHFFFAOYSA-N -2 0 361.326 0.961 20 0 FCADRL Cc1cccc(C)c1NC(=O)COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001205307479 853603094 /nfs/dbraw/zinc/60/30/94/853603094.db2.gz GDBWGGHIDYNTED-YGRLFVJLSA-N -2 0 353.327 0.322 20 0 FCADRL COc1ccc(-c2cc(COC(=O)[C@H](O)COP(=O)([O-])[O-])on2)cc1 ZINC001222929730 856883146 /nfs/dbraw/zinc/88/31/46/856883146.db2.gz QHIDVBUSJCYWGM-CYBMUJFWSA-N -2 0 373.254 0.864 20 0 FCADRL CCOC(=O)c1ccccc1COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001223084169 856894798 /nfs/dbraw/zinc/89/47/98/856894798.db2.gz MQQVFETZDPKKDZ-DGCLKSJQSA-N -2 0 354.311 0.443 20 0 FCADRL COC(=O)[C@H](OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1cccc(Cl)c1 ZINC001223928788 856952367 /nfs/dbraw/zinc/95/23/67/856952367.db2.gz FKZREZBQMRYQNL-YUSALJHKSA-N -2 0 374.729 0.634 20 0 FCADRL CC(=O)Nc1ccc(OCCOC(=O)[C@H](O)COP(=O)([O-])[O-])cc1 ZINC001224403421 856981719 /nfs/dbraw/zinc/98/17/19/856981719.db2.gz URQXWAXHUNBWPD-GFCCVEGCSA-N -2 0 363.259 0.037 20 0 FCADRL COC(=O)c1ccc(CCOC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001224433886 856982681 /nfs/dbraw/zinc/98/26/81/856982681.db2.gz BQCNCHXUETZDSH-AAEUAGOBSA-N -2 0 354.311 0.095 20 0 FCADRL COC(=O)c1ccc(CCOC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001224433893 856982969 /nfs/dbraw/zinc/98/29/69/856982969.db2.gz BQCNCHXUETZDSH-DGCLKSJQSA-N -2 0 354.311 0.095 20 0 FCADRL Cc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ncc1Br ZINC001225779073 857059319 /nfs/dbraw/zinc/05/93/19/857059319.db2.gz MOORZIPRWRHRLO-QUBYGPBYSA-N -2 0 362.132 0.594 20 0 FCADRL COc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(OC)c1OC ZINC001226032746 857080037 /nfs/dbraw/zinc/08/00/37/857080037.db2.gz HVLBPBDVKHJJBB-SSDOTTSWSA-N -2 0 352.232 0.088 20 0 FCADRL Cc1cc(Br)cnc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001226090228 857084002 /nfs/dbraw/zinc/08/40/02/857084002.db2.gz GAMBRVMXXABVHB-SSDOTTSWSA-N -2 0 356.065 0.528 20 0 FCADRL CCOC(=O)Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001226396579 857101959 /nfs/dbraw/zinc/10/19/59/857101959.db2.gz IZZQVDGMNKZIDK-RISCZKNCSA-N -2 0 354.311 0.234 20 0 FCADRL Cc1cc(C(F)(F)F)ncc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001226406146 857103142 /nfs/dbraw/zinc/10/31/42/857103142.db2.gz WWAQPVTWMNTLBG-WKEGUHRASA-N -2 0 351.233 0.851 20 0 FCADRL COC(=O)c1cccc(Cl)c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001226983232 857135576 /nfs/dbraw/zinc/13/55/76/857135576.db2.gz OHYUMSPSWFZAMN-MRVPVSSYSA-N -2 0 354.635 0.502 20 0 FCADRL COC(=O)c1ccc(Cl)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001227157333 857146676 /nfs/dbraw/zinc/14/66/76/857146676.db2.gz TXUOHANCHJOCFD-CPCISQLKSA-N -2 0 360.702 0.568 20 0 FCADRL COC(=O)c1cc2[nH]ccc2c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1 ZINC001227323106 857155069 /nfs/dbraw/zinc/15/50/69/857155069.db2.gz PWRHWUXUXPKTCP-SNVBAGLBSA-N -2 0 359.227 0.330 20 0 FCADRL COc1cc2ccc(=O)oc2cc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001227564483 857165058 /nfs/dbraw/zinc/16/50/58/857165058.db2.gz LXAQFDJETFSDBH-MRVPVSSYSA-N -2 0 360.211 0.177 20 0 FCADRL CC(C)OC(=O)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227614589 857167062 /nfs/dbraw/zinc/16/70/62/857167062.db2.gz IHBAHFWVTJQCFG-GWCFXTLKSA-N -2 0 354.311 0.694 20 0 FCADRL O=C([O-])CC[C@@H](O)C(=O)Oc1cc2cc(S(=O)(=O)[O-])ccc2cc1O ZINC001227635607 857168046 /nfs/dbraw/zinc/16/80/46/857168046.db2.gz NENGDRWITPMEGA-LLVKDONJSA-N -2 0 370.335 0.923 20 0 FCADRL COC(=O)Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(C)c1 ZINC001227729873 857172900 /nfs/dbraw/zinc/17/29/00/857172900.db2.gz UUMFCZFSWYCSRF-QMTHXVAHSA-N -2 0 354.311 0.152 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2cc(Cl)ccc21)[C@@H](O)C(=O)[O-] ZINC001227989921 857188566 /nfs/dbraw/zinc/18/85/66/857188566.db2.gz YYCTXUWGALXACE-OIBJUYFYSA-N -3 0 370.701 0.431 20 0 FCADRL COc1cc2c(cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])C=NCC2 ZINC001228093715 857191583 /nfs/dbraw/zinc/19/15/83/857191583.db2.gz ZXSPMXRCJCHDJT-HZMBPMFUSA-N -2 0 351.311 0.112 20 0 FCADRL CCCc1c(O)ccc(C(C)=O)c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001228137533 857192349 /nfs/dbraw/zinc/19/23/49/857192349.db2.gz WCUFTSQLASZINI-GFCCVEGCSA-N -2 0 362.271 0.923 20 0 FCADRL COC(=O)c1scc(Cl)c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001228777491 857228081 /nfs/dbraw/zinc/22/80/81/857228081.db2.gz HJSVXUNJMUUDGV-RXMQYKEDSA-N -2 0 360.664 0.564 20 0 FCADRL COc1ccc2ncnc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2c1 ZINC001228869854 857233028 /nfs/dbraw/zinc/23/30/28/857233028.db2.gz RPRPHUROUAGVBS-SKDRFNHKSA-N -2 0 350.283 0.080 20 0 FCADRL CCC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(OC)c1 ZINC001228876957 857234372 /nfs/dbraw/zinc/23/43/72/857234372.db2.gz KOLISCNVGDAOIY-LKFCYVNXSA-N -2 0 354.311 0.730 20 0 FCADRL O=C(Oc1cc(O)cc(O)c1Br)[C@H](O)COP(=O)([O-])[O-] ZINC001229097093 857250486 /nfs/dbraw/zinc/25/04/86/857250486.db2.gz PDLRQHSYSVQQGP-ZCFIWIBFSA-N -2 0 373.048 0.236 20 0 FCADRL Cc1nc2cnc(Cl)cc2c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001229279268 857263149 /nfs/dbraw/zinc/26/31/49/857263149.db2.gz YGCUXIYAYBEWHD-CPCISQLKSA-N -2 0 369.717 0.428 20 0 FCADRL COc1cc2oc(=O)ccc2cc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001229475328 857271996 /nfs/dbraw/zinc/27/19/96/857271996.db2.gz HYWNZXJACITHPO-MRVPVSSYSA-N -2 0 360.211 0.177 20 0 FCADRL CCOC(=O)c1cc(Cl)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001229562333 857274880 /nfs/dbraw/zinc/27/48/80/857274880.db2.gz GKULIHOODVFVFU-JOYOIKCWSA-N -2 0 374.729 0.959 20 0 FCADRL CCOC(=O)Cc1cccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001229719010 857284460 /nfs/dbraw/zinc/28/44/60/857284460.db2.gz COJXCNZNFYBAFP-BXUZGUMPSA-N -2 0 354.311 0.234 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(Cl)c2c1C(=O)CC2)[C@@H](O)C(=O)[O-] ZINC001229851325 857290307 /nfs/dbraw/zinc/29/03/07/857290307.db2.gz YFNQENJIVUMVTG-FUXBKTLASA-N -2 0 356.714 0.911 20 0 FCADRL CCO[C@@H](C)COc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-] ZINC001230143168 857306574 /nfs/dbraw/zinc/30/65/74/857306574.db2.gz BVXWTRDQCQRUFO-ZETCQYMHSA-N -2 0 356.374 0.689 20 0 FCADRL C[C@@H]1C[C@H](Oc2c(O)cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])CCO1 ZINC001230143907 857307302 /nfs/dbraw/zinc/30/73/02/857307302.db2.gz JMMAMBMLQBDYTI-HTQZYQBOSA-N -2 0 368.385 0.832 20 0 FCADRL Cc1ccc2c(c1)nc(=O)[n-]c2OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230887851 857351159 /nfs/dbraw/zinc/35/11/59/857351159.db2.gz FLRJSKDVFLQDCM-KCJUWKMLSA-N -3 0 350.283 0.086 20 0 FCADRL Cn1c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc2ccc(Cl)nc21 ZINC001231042041 857354767 /nfs/dbraw/zinc/35/47/67/857354767.db2.gz PCOSASUWRKLCLN-SSDLBLMSSA-N -2 0 357.706 0.064 20 0 FCADRL Cn1c2ccc(Cl)nc2nc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001231039767 857354930 /nfs/dbraw/zinc/35/49/30/857354930.db2.gz MBCGSXQRCFEHNN-ANLVUFKYSA-N -2 0 357.706 0.064 20 0 FCADRL O=C([O-])C[C@H](C(=O)Oc1cnc2cc(F)c(F)cc2c1)[C@H](O)C(=O)[O-] ZINC001231141334 857356516 /nfs/dbraw/zinc/35/65/16/857356516.db2.gz AKMWEUBOIBDZHU-SDBXPKJASA-N -2 0 355.249 0.955 20 0 FCADRL COc1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(C)cc1C(C)=O ZINC001231129760 857356805 /nfs/dbraw/zinc/35/68/05/857356805.db2.gz OZQBYVOYHVKROD-QMTHXVAHSA-N -2 0 354.311 0.648 20 0 FCADRL COc1c(Br)cccc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001233696233 857389451 /nfs/dbraw/zinc/38/94/51/857389451.db2.gz QQNUQXIYNGGNTH-SSDOTTSWSA-N -2 0 371.076 0.833 20 0 FCADRL COC(=O)c1cc([O-])c(Br)c(OC(=O)[C@@H](O)CC(=O)[O-])c1 ZINC001233905073 857391691 /nfs/dbraw/zinc/39/16/91/857391691.db2.gz OSILOVDVNRDNFB-ZETCQYMHSA-N -2 0 363.116 0.682 20 0 FCADRL COC(=O)c1c(F)cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1F ZINC001233913235 857391998 /nfs/dbraw/zinc/39/19/98/857391998.db2.gz MCIXDVCXGIUMBU-KSBSHMNSSA-N -2 0 362.237 0.193 20 0 FCADRL COC(=O)c1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc1Cl ZINC001233971942 857394052 /nfs/dbraw/zinc/39/40/52/857394052.db2.gz IKXLXSNRYKMJIS-KWQFWETISA-N -2 0 360.702 0.568 20 0 FCADRL Nc1nccc(-c2ccccc2OC(=O)[C@H](O)COP(=O)([O-])[O-])n1 ZINC001234154329 857397062 /nfs/dbraw/zinc/39/70/62/857397062.db2.gz RPHVPSKALVGTBJ-SNVBAGLBSA-N -2 0 355.243 0.101 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(Cl)c2c1CCC2=O)[C@H](O)C(=O)[O-] ZINC001234507452 857408455 /nfs/dbraw/zinc/40/84/55/857408455.db2.gz HGXGXEYHNLUSGL-UHLUBPPHSA-N -2 0 356.714 0.911 20 0 FCADRL COc1cc(OC)c(Cl)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001234885380 857414717 /nfs/dbraw/zinc/41/47/17/857414717.db2.gz NKCZFIFLPYBZFQ-MADCSZMMSA-N -2 0 362.718 0.799 20 0 FCADRL COc1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cnc1Br ZINC001234931917 857415125 /nfs/dbraw/zinc/41/51/25/857415125.db2.gz PHVDJSPRVQDBHK-ZCFIWIBFSA-N -2 0 372.064 0.228 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnc(N3CCOCC3)nc2)c1 ZINC001260183972 858351498 /nfs/dbraw/zinc/35/14/98/858351498.db2.gz LMKKRIZIEXTTMI-UHFFFAOYSA-N -2 0 364.383 0.812 20 0 FCADRL Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c2ncnc1-2 ZINC001260208097 858353909 /nfs/dbraw/zinc/35/39/09/858353909.db2.gz HGLBWGWRSTZDGN-UHFFFAOYSA-N -2 0 351.319 0.953 20 0 FCADRL CNC(=O)c1nccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260210571 858355225 /nfs/dbraw/zinc/35/52/25/858355225.db2.gz NZVFDIQOISIRBC-UHFFFAOYSA-N -2 0 354.319 0.474 20 0 FCADRL CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cn(C)c(C)n2)cc1 ZINC001260541655 858380711 /nfs/dbraw/zinc/38/07/11/858380711.db2.gz GSTZZUXCFANVQR-UHFFFAOYSA-N -2 0 372.428 0.354 20 0 FCADRL O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C[C@@H]1COC(=O)C1 ZINC001350353442 866574404 /nfs/dbraw/zinc/57/44/04/866574404.db2.gz HHGANIXWQXFTSO-RNSXUZJQSA-N -2 0 366.292 0.062 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1c(F)cccc1Br)C(=O)[O-] ZINC001320567042 868203136 /nfs/dbraw/zinc/20/31/36/868203136.db2.gz CZJHZJPQWGPZDM-SSDOTTSWSA-N -2 0 370.152 0.794 20 0 FCADRL O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1 ZINC001601977355 971102560 /nfs/dbraw/zinc/10/25/60/971102560.db2.gz VVESBFUTIBSSDO-LLVKDONJSA-N -2 0 360.370 0.983 20 0 FCADRL Cc1ccc(-n2cnnn2)cc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000327022101 971357632 /nfs/dbraw/zinc/35/76/32/971357632.db2.gz SSOIDVOZIATWBS-UHFFFAOYSA-N -2 0 363.359 0.053 20 0 FCADRL CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC001589602995 949202784 /nfs/dbraw/zinc/20/27/84/949202784.db2.gz DNGXZNAQRVWQCU-HNNXBMFYSA-N -2 0 356.400 0.757 20 0 FCADRL CCOC(=O)[C@@H](NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C(C)(C)C ZINC001571110402 952432765 /nfs/dbraw/zinc/43/27/65/952432765.db2.gz IAXPDHYFIBHOMA-GFCCVEGCSA-N -2 0 374.405 0.682 20 0 FCADRL O=C([O-])[C@H]1CC(C(=O)[N-]OCCN2CCCC2=O)=NN1c1ccccc1 ZINC001594785063 953660284 /nfs/dbraw/zinc/66/02/84/953660284.db2.gz IODDCUQHLLMDDF-CQSZACIVSA-N -2 0 360.370 0.376 20 0 FCADRL COC(=O)CCN(CC(=O)[O-])C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001593839926 955351179 /nfs/dbraw/zinc/35/11/79/955351179.db2.gz DOWMRXFGIGRZAE-UHFFFAOYSA-N -2 0 365.317 0.807 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cnn2c1CCC2 ZINC000851702854 955823862 /nfs/dbraw/zinc/82/38/62/955823862.db2.gz NAHBVSIUTRJNDP-KOLCDFICSA-N -2 0 374.319 0.566 20 0 FCADRL C[C@](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC001589115419 956093865 /nfs/dbraw/zinc/09/38/65/956093865.db2.gz VKYJUUNPLVVXRF-MRXNPFEDSA-N -2 0 364.379 0.769 20 0 FCADRL Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001594275767 957715164 /nfs/dbraw/zinc/71/51/64/957715164.db2.gz DMOQRQIINKHMLY-VHSXEESVSA-N -2 0 358.354 0.927 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC[C@@H](C(=O)[O-])[C@H](C)C3)cc2=O)n1 ZINC001594305361 957963434 /nfs/dbraw/zinc/96/34/34/957963434.db2.gz CSGYPKLZXSVFLG-BXKDBHETSA-N -2 0 359.386 0.755 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)NC3CCC(C(=O)[O-])CC3)cc2=O)n1 ZINC001594305966 957967098 /nfs/dbraw/zinc/96/70/98/957967098.db2.gz OFXCQJJGLGYUEG-UHFFFAOYSA-N -2 0 359.386 0.946 20 0 FCADRL NS(=O)(=O)c1ccccc1[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000391640057 972353123 /nfs/dbraw/zinc/35/31/23/972353123.db2.gz QQKFIWHFKAYELU-UHFFFAOYSA-N -2 0 370.408 0.974 20 0 FCADRL O=C([O-])C1(NC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)CCOCC1 ZINC001605741466 972381067 /nfs/dbraw/zinc/38/10/67/972381067.db2.gz TXLPXSWXSPDNNB-UHFFFAOYSA-N -2 0 364.276 0.822 20 0 FCADRL C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C[C@H]1C(=O)[O-] ZINC001573736200 960437848 /nfs/dbraw/zinc/43/78/48/960437848.db2.gz RBYDWENKSHLHBS-ZWNOBZJWSA-N -2 0 370.427 0.825 20 0 FCADRL C[S@@](=O)(=NS(=O)(=O)[N-][C@]1(C(=O)[O-])CCOC1)c1ccccc1F ZINC001574241854 960465299 /nfs/dbraw/zinc/46/52/99/960465299.db2.gz GJEYYSLCIGNZCQ-IPQOISQHSA-N -2 0 366.392 0.361 20 0 FCADRL CCn1ncc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1 ZINC001573972228 961742968 /nfs/dbraw/zinc/74/29/68/961742968.db2.gz OSAYIWWWDSQRHC-IONNQARKSA-N -2 0 363.296 0.034 20 0 FCADRL COC[C@]1(C(=O)[O-])CCN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)C1 ZINC001574133353 962550540 /nfs/dbraw/zinc/55/05/40/962550540.db2.gz IMGPCFMAVKUXRK-HNNXBMFYSA-N -2 0 374.390 0.761 20 0 FCADRL Cn1cc(Br)c(CNS(=O)(=O)c2cc(C(=O)[O-])no2)n1 ZINC000315570938 963915512 /nfs/dbraw/zinc/91/55/12/963915512.db2.gz KFMKJPSVZOOYIN-UHFFFAOYSA-N -2 0 365.165 0.347 20 0 FCADRL COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@H](C)CC(=O)[O-])cc2)[n-]1 ZINC001604333921 973022156 /nfs/dbraw/zinc/02/21/56/973022156.db2.gz JBWAYUYXJCOMCO-SNVBAGLBSA-N -2 0 361.354 0.474 20 0 FCADRL O=C([O-])[C@H]1COCCN1S(=O)(=O)c1c([O-])cccc1OC(F)(F)F ZINC001606053747 973160844 /nfs/dbraw/zinc/16/08/44/973160844.db2.gz LYZOUPSHRBNCFQ-SSDOTTSWSA-N -2 0 371.289 0.765 20 0 FCADRL Cn1nccc1[C@@H](NC(=O)c1ncc(Br)cc1[O-])C(=O)[O-] ZINC001605568515 973819488 /nfs/dbraw/zinc/81/94/88/973819488.db2.gz TVVOSVBWAADNDB-SECBINFHSA-N -2 0 355.148 0.839 20 0 FCADRL COc1cc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])on1 ZINC001604684769 973876097 /nfs/dbraw/zinc/87/60/97/973876097.db2.gz BANCCSXXMBGMOZ-HZGVNTEJSA-N -2 0 365.264 0.420 20 0 FCADRL COc1cc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])on1 ZINC001604684770 973876488 /nfs/dbraw/zinc/87/64/88/973876488.db2.gz BANCCSXXMBGMOZ-IMTBSYHQSA-N -2 0 365.264 0.420 20 0 FCADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)NCC(=O)NCC(=O)[O-])n2)cc1 ZINC001591943165 976475545 /nfs/dbraw/zinc/47/55/45/976475545.db2.gz FRWKMPOVMYFCOK-UHFFFAOYSA-N -2 0 360.370 0.632 20 0 FCADRL CC(C)c1ncncc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001592038846 976758070 /nfs/dbraw/zinc/75/80/70/976758070.db2.gz ARZTYQXUJNTOMH-UHFFFAOYSA-N -2 0 356.404 0.371 20 0 FCADRL CC(C)n1c(=O)[nH]c2ccc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc21 ZINC001592117194 976920083 /nfs/dbraw/zinc/92/00/83/976920083.db2.gz NLRNEKKDEBMCCT-MRVPVSSYSA-N -2 0 355.372 0.856 20 0 FCADRL CC(C)n1cc(Br)cc1C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001592122230 976931998 /nfs/dbraw/zinc/93/19/98/976931998.db2.gz FCNDGGDPZGHLNV-UHFFFAOYSA-N -2 0 353.194 0.976 20 0 FCADRL C[C@H](CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])n1cc(Br)cn1 ZINC001592251824 977480402 /nfs/dbraw/zinc/48/04/02/977480402.db2.gz JAJPLZDQPUTGRQ-RQJHMYQMSA-N -2 0 368.209 0.516 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C[C@H](C)n1cc(Br)cn1 ZINC001592251822 977480590 /nfs/dbraw/zinc/48/05/90/977480590.db2.gz JAJPLZDQPUTGRQ-NKWVEPMBSA-N -2 0 368.209 0.516 20 0 FCADRL C[C@H](CN(C)C(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2)C(=O)[O-] ZINC001592564415 978458706 /nfs/dbraw/zinc/45/87/06/978458706.db2.gz WVCMAHPHIHOSPL-SSDOTTSWSA-N -2 0 352.299 0.231 20 0 FCADRL C[C@@H](CN(C)C(=O)C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1)C(=O)[O-] ZINC001592564481 978459194 /nfs/dbraw/zinc/45/91/94/978459194.db2.gz YHAZMZQBTFRXKB-KPZWWZAWSA-N -2 0 362.382 0.420 20 0 FCADRL C[C@@](CO)(CNS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-])CC(=O)[O-] ZINC001592730716 979250834 /nfs/dbraw/zinc/25/08/34/979250834.db2.gz YMNOOEHZKNDFGK-ZDUSSCGKSA-N -2 0 365.791 0.790 20 0 FCADRL C[C@H](CS(=O)(=O)N[C@@H](Cc1ccc2c(c1)OCO2)C(=O)[O-])C(=O)[O-] ZINC001592806500 979469720 /nfs/dbraw/zinc/46/97/20/979469720.db2.gz HYAXCVVBTATTLF-SCZZXKLOSA-N -2 0 359.356 0.051 20 0 FCADRL C[C@H](NC(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001592979009 980143989 /nfs/dbraw/zinc/14/39/89/980143989.db2.gz GIRUGLIJEGBHNV-ZBAXXZLZSA-N -2 0 368.430 0.855 20 0 FCADRL C[C@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001592980016 980149377 /nfs/dbraw/zinc/14/93/77/980149377.db2.gz SGASEDINRGUBGG-INTQDDNPSA-N -2 0 365.386 0.913 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001593011228 980245697 /nfs/dbraw/zinc/24/56/97/980245697.db2.gz OPGBHXMKPIDXME-KXUCPTDWSA-N -2 0 350.437 0.483 20 0 FCADRL CC[C@@H](NS(=O)(=O)c1sc(C(=O)[O-])c(C)c1C(=O)OC)C(=O)[O-] ZINC001595316470 980483433 /nfs/dbraw/zinc/48/34/33/980483433.db2.gz IGJDUARPFVBBKQ-ZCFIWIBFSA-N -2 0 365.385 0.683 20 0 FCADRL CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001595506236 981286526 /nfs/dbraw/zinc/28/65/26/981286526.db2.gz SVHZEVCMKWVHBQ-ZUYFITGHSA-N -2 0 364.445 0.165 20 0 FCADRL CCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)CC1=O ZINC001595895648 982937683 /nfs/dbraw/zinc/93/76/83/982937683.db2.gz GVKSBXBXPZVXIV-MRVPVSSYSA-N -2 0 360.413 0.510 20 0 FCADRL CCOC(=O)C(C)(C)CC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001596512144 984284104 /nfs/dbraw/zinc/28/41/04/984284104.db2.gz HUZKAOWBTOUNMY-UHFFFAOYSA-N -2 0 364.420 0.123 20 0 FCADRL C[C@H](OCc1ccccc1)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001599906231 984925868 /nfs/dbraw/zinc/92/58/68/984925868.db2.gz LHDMDJRYVLPMCV-LBPRGKRZSA-N -2 0 370.427 0.749 20 0 FCADRL CCOC(=O)c1cccc(S(=O)(=O)[N-]C(=O)C23CC(C(=O)[O-])(C2)C3)c1 ZINC001596731037 984998780 /nfs/dbraw/zinc/99/87/80/984998780.db2.gz WANWOKKNPLSPJI-UHFFFAOYSA-N -2 0 367.379 0.923 20 0 FCADRL CC(=O)C[C@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)[O-] ZINC001589030752 985064332 /nfs/dbraw/zinc/06/43/32/985064332.db2.gz WSDOXOJEPODIKU-ZETCQYMHSA-N -2 0 351.283 0.374 20 0 FCADRL CC(=O)N1C[C@@H]2CCC[C@@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])no3)[C@H]2C1 ZINC001589058637 985177840 /nfs/dbraw/zinc/17/78/40/985177840.db2.gz YHJRGWAMDUNQGI-GARJFASQSA-N -2 0 357.388 0.298 20 0 FCADRL CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])C1CCCC1 ZINC001589100587 985315018 /nfs/dbraw/zinc/31/50/18/985315018.db2.gz RWFGKZCWHAGIRR-LLVKDONJSA-N -2 0 374.440 0.946 20 0 FCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC001599940983 985453968 /nfs/dbraw/zinc/45/39/68/985453968.db2.gz BIXGQTLJMPFUCO-CMPLNLGQSA-N -2 0 357.370 0.860 20 0 FCADRL CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)cc1 ZINC001589144170 985459262 /nfs/dbraw/zinc/45/92/62/985459262.db2.gz YUKCCXDNUTUKEM-UHFFFAOYSA-N -2 0 364.383 0.654 20 0 FCADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)Cc1nnnn1C ZINC001599948888 985575009 /nfs/dbraw/zinc/57/50/09/985575009.db2.gz TTYUBEALCZXGDI-QMMMGPOBSA-N -2 0 355.376 0.039 20 0 FCADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1cc(F)ccc1C(=O)N[C@@H](C)C(=O)[O-] ZINC001599969314 985975732 /nfs/dbraw/zinc/97/57/32/985975732.db2.gz DUFCCLCEFNPJQL-QMMMGPOBSA-N -2 0 370.362 0.861 20 0 FCADRL CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001596968470 986183974 /nfs/dbraw/zinc/18/39/74/986183974.db2.gz ODCPKSTWTHTYLF-UHFFFAOYSA-N -2 0 365.367 0.722 20 0 FCADRL C[C@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC[C@@H]1CCC(=O)[O-] ZINC001594562600 986335256 /nfs/dbraw/zinc/33/52/56/986335256.db2.gz VBOYYPHKISDYPX-QWRGUYRKSA-N -2 0 359.404 0.479 20 0 FCADRL CCOc1ccc(C(=O)CCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1 ZINC001597055771 986535163 /nfs/dbraw/zinc/53/51/63/986535163.db2.gz IJAACJLWBAOSDB-SNVBAGLBSA-N -2 0 357.384 0.967 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1COc2ccc(F)cc2C1 ZINC001589450239 986838285 /nfs/dbraw/zinc/83/82/85/986838285.db2.gz BZOKESNWGXXFSX-ATZCPNFKSA-N -2 0 359.375 0.932 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)C1CN(C(=O)C2CCCCC2)C1 ZINC001589451613 986846103 /nfs/dbraw/zinc/84/61/03/986846103.db2.gz JHSPSHJKOJFJOT-MNOVXSKESA-N -2 0 374.459 0.580 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CCN(C)C(=O)OC(C)(C)C ZINC001589453189 986858621 /nfs/dbraw/zinc/85/86/21/986858621.db2.gz OSSJFAFPCUKECF-NXEZZACHSA-N -2 0 366.436 0.799 20 0 FCADRL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cncc(C(=O)[O-])c2)cn1 ZINC001597136474 986871821 /nfs/dbraw/zinc/87/18/21/986871821.db2.gz RGIOTMUECAJKHI-UHFFFAOYSA-N -2 0 351.340 0.692 20 0 FCADRL C[C@H]1Oc2ccc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])cc2NC1=O ZINC001594650799 986872357 /nfs/dbraw/zinc/87/23/57/986872357.db2.gz LISZOHMMHZCEJZ-MRVPVSSYSA-N -2 0 351.315 0.257 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccnc(NC(=O)C2CC2)c1 ZINC001589454530 986880191 /nfs/dbraw/zinc/88/01/91/986880191.db2.gz OUMLSQOMCNNBPK-DTWKUNHWSA-N -2 0 369.399 0.599 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(NC(=O)N(C)C)c1 ZINC001589455360 986895274 /nfs/dbraw/zinc/89/52/74/986895274.db2.gz YRAUQGVATDIJLZ-ZJUUUORDSA-N -2 0 371.415 0.949 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccnc(-n2ccnc2)c1 ZINC001589455336 986895883 /nfs/dbraw/zinc/89/58/83/986895883.db2.gz YHXCDAKQIPERGP-ZJUUUORDSA-N -2 0 352.372 0.436 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1ccc(Br)cc1 ZINC001589490355 987054767 /nfs/dbraw/zinc/05/47/67/987054767.db2.gz ANGKSHUVEFMFNE-SSDOTTSWSA-N -2 0 350.190 0.911 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001589492035 987061259 /nfs/dbraw/zinc/06/12/59/987061259.db2.gz QDBSPWSLJVAVQN-VHSXEESVSA-N -2 0 364.420 0.695 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)COc1ccc(Br)cc1 ZINC001589492827 987066003 /nfs/dbraw/zinc/06/60/03/987066003.db2.gz ZEOOMQSLRULIOA-ZETCQYMHSA-N -2 0 366.189 0.747 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)/C=C/c1ccc(Br)o1 ZINC001589492986 987067092 /nfs/dbraw/zinc/06/70/92/987067092.db2.gz AWVPOAHJJNVFHI-QVQDZQDPSA-N -2 0 352.162 0.974 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1(CNC(=O)OC(C)(C)C)CC1 ZINC001589495258 987074228 /nfs/dbraw/zinc/07/42/28/987074228.db2.gz OEXFVJPUSJUXGL-MRVPVSSYSA-N -2 0 350.393 0.210 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CC(C)(C)NC(=O)OC(C)(C)C ZINC001589496426 987078058 /nfs/dbraw/zinc/07/80/58/987078058.db2.gz WHXJDVVUIXBFMN-QMMMGPOBSA-N -2 0 352.409 0.599 20 0 FCADRL CCS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC001597243953 987220653 /nfs/dbraw/zinc/22/06/53/987220653.db2.gz YBIQXCQXEAPUGX-UHFFFAOYSA-N -2 0 373.412 0.562 20 0 FCADRL CC(C)(C)C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])s1)C(=O)[O-] ZINC001589757426 988075749 /nfs/dbraw/zinc/07/57/49/988075749.db2.gz XMIRBRAZEZGVAO-OIBJUYFYSA-N -2 0 365.429 0.975 20 0 FCADRL CCc1ccccc1-n1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])nn1 ZINC001597603620 988471155 /nfs/dbraw/zinc/47/11/55/988471155.db2.gz LGZNISZQIZQABK-VIFPVBQESA-N -2 0 352.372 0.362 20 0 FCADRL CCc1nnc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2OC)[nH]1 ZINC001597645312 988663820 /nfs/dbraw/zinc/66/38/20/988663820.db2.gz RCUIKZXRHGKJCN-UHFFFAOYSA-N -2 0 356.360 0.883 20 0 FCADRL CCc1nc(S(=O)(=O)[N-]C(=O)C23CC(C(=O)[O-])(C2)C3)cn1CC1CC1 ZINC001597686125 988847460 /nfs/dbraw/zinc/84/74/60/988847460.db2.gz LXUJQEYCSDZCGR-UHFFFAOYSA-N -2 0 367.427 0.915 20 0 FCADRL CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001590236898 989624769 /nfs/dbraw/zinc/62/47/69/989624769.db2.gz JQLACORBHQQKGT-ZJUUUORDSA-N -2 0 368.394 0.274 20 0 FCADRL CCn1c(=O)c2ccc(C(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])cc2[n-]c1=S ZINC001597859757 989631621 /nfs/dbraw/zinc/63/16/21/989631621.db2.gz DTRKCJMQKIRORW-SKDRFNHKSA-N -2 0 363.395 0.365 20 0 FCADRL CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)CC1CCC1 ZINC001590246326 989634635 /nfs/dbraw/zinc/63/46/35/989634635.db2.gz GNBWYZCYCVPWKK-JTQLQIEISA-N -2 0 364.420 0.601 20 0 FCADRL CC(C)(C)OC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cn1 ZINC001590363073 989821271 /nfs/dbraw/zinc/82/12/71/989821271.db2.gz QDFJZWCHXVIILV-UHFFFAOYSA-N -2 0 358.372 0.571 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@@H]1CCN(CC(F)(F)F)C1)C(=O)[O-] ZINC001590797822 990616720 /nfs/dbraw/zinc/61/67/20/990616720.db2.gz GOGFKHUKUNBDLP-MRVPVSSYSA-N -2 0 360.354 0.427 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1ccc(-n2cc[nH]c2=O)cc1)C(=O)[O-] ZINC001590799330 990627772 /nfs/dbraw/zinc/62/77/72/990627772.db2.gz QLRUCDOOHGZTIP-UHFFFAOYSA-N -2 0 367.383 0.748 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1ccnc(-n2ccnc2)c1)C(=O)[O-] ZINC001590799351 990628762 /nfs/dbraw/zinc/62/87/62/990628762.db2.gz RNHGWVNEVKDDJS-UHFFFAOYSA-N -2 0 352.372 0.438 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)[O-] ZINC001590799475 990629463 /nfs/dbraw/zinc/62/94/63/990629463.db2.gz XOZNSTDMYCAOQZ-UHFFFAOYSA-N -2 0 372.424 0.901 20 0 FCADRL CC(C)(CS(=O)(=O)NCc1nc2cc(C(=O)[O-])ccc2[nH]1)C(=O)[O-] ZINC001590820368 990654913 /nfs/dbraw/zinc/65/49/13/990654913.db2.gz VGSBERPHUCWYOG-UHFFFAOYSA-N -2 0 355.372 0.791 20 0 FCADRL COc1cccc(S([O-])=CC(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC001599683552 990949859 /nfs/dbraw/zinc/94/98/59/990949859.db2.gz QIANRGBPEKVXFB-NXHNLGHQSA-N -2 0 355.412 0.656 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1 ZINC001599683823 990954108 /nfs/dbraw/zinc/95/41/08/990954108.db2.gz ZOJUQPZPGRVUFS-ZJWNCGCPSA-N -2 0 368.455 0.810 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])C(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC001590957559 991041180 /nfs/dbraw/zinc/04/11/80/991041180.db2.gz VWCRLUOONAVUQM-CQSZACIVSA-N -2 0 371.411 0.659 20 0 FCADRL CC(C)[C@H](CNC(=O)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC001590982901 991155448 /nfs/dbraw/zinc/15/54/48/991155448.db2.gz WWNQTAYZQUCGIX-UONOGXRCSA-N -2 0 362.382 0.670 20 0 FCADRL COc1ccccc1C[C@@H](CNS(=O)(=O)C[C@H](C)C(=O)[O-])C(=O)[O-] ZINC001599706969 991307488 /nfs/dbraw/zinc/30/74/88/991307488.db2.gz GEZRBGJKNDOGCY-JQWIXIFHSA-N -2 0 359.400 0.579 20 0 FCADRL CN(C)c1n[nH]c([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)n1 ZINC001598348899 991440225 /nfs/dbraw/zinc/44/02/25/991440225.db2.gz KBWMBKZCCPBIHA-UHFFFAOYSA-N -2 0 351.388 0.788 20 0 FCADRL COc1nsc(CN2CC(C[N-]C(=O)C(F)(F)F)C2)c1C(=O)[O-] ZINC001599740697 991849308 /nfs/dbraw/zinc/84/93/08/991849308.db2.gz CQWRGVRITAALAI-UHFFFAOYSA-N -2 0 353.322 0.960 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)NC[C@@H](CCC(=O)[O-])C(F)(F)F ZINC001598471590 992033743 /nfs/dbraw/zinc/03/37/43/992033743.db2.gz VGUWQTDAXVJHPZ-SSDOTTSWSA-N -2 0 350.315 0.271 20 0 FCADRL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)NC[C@H](O)C(=O)[O-] ZINC001599760546 992116052 /nfs/dbraw/zinc/11/60/52/992116052.db2.gz XLSBKJXZGZXVMJ-ZDUSSCGKSA-N -2 0 352.368 0.387 20 0 FCADRL CN(CCC(=O)[O-])S(=O)(=O)N1C[C@@H](c2ccccc2)[C@](F)(C(=O)[O-])C1 ZINC001598481527 992158871 /nfs/dbraw/zinc/15/88/71/992158871.db2.gz ZEJMGXBGJRLPDR-WFASDCNBSA-N -2 0 374.390 0.530 20 0 FCADRL CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1ccc2[n-]c(=S)oc2c1)C(=O)[O-] ZINC001599764350 992164756 /nfs/dbraw/zinc/16/47/56/992164756.db2.gz FMYARGPAOMCBAW-IINYFYTJSA-N -2 0 370.408 0.734 20 0 FCADRL C[S@@](=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC001599778723 992337686 /nfs/dbraw/zinc/33/76/86/992337686.db2.gz QMBUMJJOVNYWKH-HSZRJFAPSA-N -2 0 374.440 0.195 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)N2[C@@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)cc1=O ZINC001591498040 992636844 /nfs/dbraw/zinc/63/68/44/992636844.db2.gz QQSGYKUCJPQGOI-REBRKWNGSA-N -2 0 365.430 0.997 20 0 FCADRL CN1C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])nn3)cc2C1=O ZINC001598581102 993336634 /nfs/dbraw/zinc/33/66/34/993336634.db2.gz CRTMMAKQIUZTLF-UHFFFAOYSA-N -2 0 362.323 0.201 20 0 FCADRL COc1ccc(OC)c([C@H]2C[C@H]2C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c1 ZINC001599603851 993856344 /nfs/dbraw/zinc/85/63/44/993856344.db2.gz LYTCWUKYUPAZSZ-ZYHUDNBSSA-N -2 0 357.384 0.728 20 0 FCADRL COc1ccc(OCC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC001599604197 993861237 /nfs/dbraw/zinc/86/12/37/993861237.db2.gz FUHZXAFPUGCPJE-UHFFFAOYSA-N -2 0 372.399 0.232 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H]2C(=O)[O-])c(OC)c1C(=O)[O-] ZINC001599610037 993939828 /nfs/dbraw/zinc/93/98/28/993939828.db2.gz DZXLRDBBMLJFFO-QPUJVOFHSA-N -2 0 373.383 0.886 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)OCC2CC2)c(CC(=O)[O-])c1 ZINC001599611387 993958870 /nfs/dbraw/zinc/95/88/70/993958870.db2.gz ICPOCAOHTMUSEW-JTQLQIEISA-N -2 0 371.411 0.942 20 0 FCADRL CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](OC)C[C@H]2C(=O)[O-])ccc1F ZINC001598673517 994800198 /nfs/dbraw/zinc/80/01/98/994800198.db2.gz RJLZDYZQGCBMPM-PWSUYJOCSA-N -2 0 374.390 0.438 20 0 FCADRL COC(=O)C(C)(C)n1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cn1 ZINC001598686202 995005945 /nfs/dbraw/zinc/00/59/45/995005945.db2.gz UAHVPHBBOSHDAV-UHFFFAOYSA-N -2 0 374.400 0.747 20 0 FCADRL COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CCc1ccccc1C(=O)[O-] ZINC001598687501 995017707 /nfs/dbraw/zinc/01/77/07/995017707.db2.gz HZFGNIOUADIAOG-MNOVXSKESA-N -2 0 371.411 0.961 20 0 FCADRL COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)o1 ZINC001598694901 995120877 /nfs/dbraw/zinc/12/08/77/995120877.db2.gz NSFUJGXUHOFKOM-YFKPBYRVSA-N -2 0 356.150 0.337 20 0 FCADRL C[C@](O)(CNS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1)C(=O)[O-] ZINC001593416670 995199042 /nfs/dbraw/zinc/19/90/42/995199042.db2.gz BADGTJIDKHXDBS-NSHDSACASA-N -2 0 371.289 0.518 20 0 FCADRL COC(=O)[C@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-])c1ccnn1C ZINC001598708453 995317774 /nfs/dbraw/zinc/31/77/74/995317774.db2.gz DUQRLCKQDHUJTB-LLVKDONJSA-N -2 0 371.371 0.521 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-])c1ccnn1C ZINC001598714249 995385503 /nfs/dbraw/zinc/38/55/03/995385503.db2.gz QDVFBORHYNLOSJ-LBPRGKRZSA-N -2 0 371.346 0.450 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]1CCCCO1 ZINC001593606812 995786755 /nfs/dbraw/zinc/78/67/55/995786755.db2.gz YQOYNSLAIXJPIM-BJDJZHNGSA-N -2 0 351.421 0.516 20 0 FCADRL COC(=O)[C@H]1CN(Cc2ncc(Br)cc2[O-])C[C@H]1C(=O)[O-] ZINC001598824356 996365649 /nfs/dbraw/zinc/36/56/49/996365649.db2.gz GTEMEIAQKZNQQO-BDAKNGLRSA-N -2 0 359.176 0.855 20 0 FCADRL COC(=O)C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)C(=O)[O-] ZINC001598839214 996510682 /nfs/dbraw/zinc/51/06/82/996510682.db2.gz HQIXOZVPUZLMSJ-VIFPVBQESA-N -2 0 365.747 0.333 20 0 FCADRL COC(=O)N1CCC([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001598878134 996779472 /nfs/dbraw/zinc/77/94/72/996779472.db2.gz PXPDCLPKWLRQTH-MRVPVSSYSA-N -2 0 361.376 0.518 20 0 FCADRL COc1ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])c(Br)c1 ZINC001599485208 996835502 /nfs/dbraw/zinc/83/55/02/996835502.db2.gz CUMIXQWZXIQJOY-UHFFFAOYSA-N -2 0 352.162 0.602 20 0 FCADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@H](CC(=O)[O-])OC)c1 ZINC001599279599 996872793 /nfs/dbraw/zinc/87/27/93/996872793.db2.gz MVXQGZHRPGIQTO-NSHDSACASA-N -2 0 361.372 0.299 20 0 FCADRL COCc1cc(NC(=O)CCCn2c(=O)[n-][nH]c2=O)cc(C(=O)[O-])c1 ZINC001599283320 996929837 /nfs/dbraw/zinc/92/98/37/996929837.db2.gz FYGRGCWOYHKSRW-UHFFFAOYSA-N -2 0 350.331 0.953 20 0 FCADRL COC1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])CC1 ZINC001599079655 996968643 /nfs/dbraw/zinc/96/86/43/996968643.db2.gz UOBLZGYXFPTHPS-UHFFFAOYSA-N -2 0 361.347 0.778 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC001599502379 997148235 /nfs/dbraw/zinc/14/82/35/997148235.db2.gz GLGUOBVPDYTGRM-SSDOTTSWSA-N -2 0 353.299 0.780 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-] ZINC001599502952 997159227 /nfs/dbraw/zinc/15/92/27/997159227.db2.gz FIYDXCBOXYGJEE-JTQLQIEISA-N -2 0 361.372 0.550 20 0 FCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-] ZINC001599503177 997163632 /nfs/dbraw/zinc/16/36/32/997163632.db2.gz WASRISUZLGBHFP-PELKAZGASA-N -2 0 359.356 0.256 20 0 FCADRL COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CC2(C(=O)[O-])CCCCC2)C1 ZINC001599196025 997217660 /nfs/dbraw/zinc/21/76/60/997217660.db2.gz VPLSDQBYPFSFJA-OAHLLOKOSA-N -2 0 363.432 0.774 20 0 FCADRL COc1ccc([C@H](CO)C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001599516375 997394971 /nfs/dbraw/zinc/39/49/71/997394971.db2.gz MEKPUNVREOPXNG-JTQLQIEISA-N -2 0 356.356 0.436 20 0 FCADRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)NC1(C(=O)[O-])CC1 ZINC001598915725 997461043 /nfs/dbraw/zinc/46/10/43/997461043.db2.gz ITOIPTUQZGEEBR-UHFFFAOYSA-N -2 0 363.369 0.437 20 0 FCADRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)NC[C@@H](C)C(=O)[O-] ZINC001598916528 997480069 /nfs/dbraw/zinc/48/00/69/997480069.db2.gz VDEAPJPNZQCQED-RXMQYKEDSA-N -2 0 365.385 0.540 20 0 FCADRL COCC[C@@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C(=O)[O-] ZINC001599219609 997643305 /nfs/dbraw/zinc/64/33/05/997643305.db2.gz RVPPXGOTUDCKLE-MRVPVSSYSA-N -2 0 353.299 0.431 20 0 FCADRL COCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1)C(=O)[O-] ZINC001599219664 997644244 /nfs/dbraw/zinc/64/42/44/997644244.db2.gz WNOYHQFJIYQASJ-ZETCQYMHSA-N -2 0 355.752 0.488 20 0 FCADRL COCC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)C(=O)[O-] ZINC001599219709 997645849 /nfs/dbraw/zinc/64/58/49/997645849.db2.gz YKQGMAFTNYRGFN-SNVBAGLBSA-N -2 0 351.764 0.806 20 0 FCADRL C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)Cc2ccc(C(=O)[O-])nc2)C1 ZINC001594053997 997781400 /nfs/dbraw/zinc/78/14/00/997781400.db2.gz ZEADUNQHXFSOQH-AWEZNQCLSA-N -2 0 359.304 0.992 20 0 FCADRL COc1ccc(CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])cc1OC ZINC001599548514 997965207 /nfs/dbraw/zinc/96/52/07/997965207.db2.gz GGGLZCDYRYCTBS-ZJUUUORDSA-N -2 0 359.400 0.802 20 0 FCADRL COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)o1 ZINC001598959590 998307177 /nfs/dbraw/zinc/30/71/77/998307177.db2.gz CSRUYKXHGANWSJ-UHFFFAOYSA-N -2 0 359.337 0.945 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CC[C@@H](C)[C@H]2C(=O)[O-])c1 ZINC001598962415 998357139 /nfs/dbraw/zinc/35/71/39/998357139.db2.gz APJWGVWQXQEQGD-PELKAZGASA-N -2 0 371.367 0.655 20 0 FCADRL COCCOc1ncccc1C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001599262278 998407174 /nfs/dbraw/zinc/40/71/74/998407174.db2.gz ZEYUXLAQDRQYPB-UHFFFAOYSA-N -2 0 360.388 0.277 20 0 FCADRL COC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001599158932 998423147 /nfs/dbraw/zinc/42/31/47/998423147.db2.gz MNKFIXKPUNVZOO-JTQLQIEISA-N -2 0 359.400 0.800 20 0 FCADRL C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001594147495 998494397 /nfs/dbraw/zinc/49/43/97/998494397.db2.gz PPBDIPHPDFNEMQ-BDAKNGLRSA-N -2 0 362.354 0.565 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC001598970912 998512676 /nfs/dbraw/zinc/51/26/76/998512676.db2.gz WVHHQEYHFBNZQR-PSASIEDQSA-N -2 0 369.351 0.479 20 0 FCADRL COCC(COC)S(=O)(=O)[N-]C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001599166487 998550197 /nfs/dbraw/zinc/55/01/97/998550197.db2.gz OEGLWTXDCKGKCH-UHFFFAOYSA-N -2 0 363.432 0.519 20 0 FCADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC001594209873 998813695 /nfs/dbraw/zinc/81/36/95/998813695.db2.gz JKIJAHJKQAKMIM-QWRGUYRKSA-N -2 0 364.354 0.658 20 0 FCADRL COC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001599011023 998898899 /nfs/dbraw/zinc/89/88/99/998898899.db2.gz FTKAGKTZYVNXJZ-UHFFFAOYSA-N -2 0 369.355 0.714 20 0 FCADRL COC(=O)c1cnccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001599011650 998903410 /nfs/dbraw/zinc/90/34/10/998903410.db2.gz VROQPCWFUYVWIW-UHFFFAOYSA-N -2 0 354.315 0.928 20 0 FCADRL COC(=O)c1coc(S(=O)(=O)[N-]c2ccn(C(C)(C)C(=O)[O-])n2)c1 ZINC001599013006 998915353 /nfs/dbraw/zinc/91/53/53/998915353.db2.gz QQPQSTTXOSDMMH-UHFFFAOYSA-N -2 0 357.344 0.883 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-]C1(C(=O)[O-])CCSCC1 ZINC001599017881 998954546 /nfs/dbraw/zinc/95/45/46/998954546.db2.gz QRXJWJDIIVUVQQ-UHFFFAOYSA-N -2 0 366.442 0.558 20 0 FCADRL CO[C@H](CS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000296895942 214368146 /nfs/dbraw/zinc/36/81/46/214368146.db2.gz IWWHRHQFYHGRAJ-MGPQQGTHSA-N -2 0 371.411 0.811 20 0 FCADRL CCCN(CC(=O)[O-])C(=O)c1ccc2c(c1)S(=O)(=O)[N-]c1ncnn1-2 ZINC000262372248 209578066 /nfs/dbraw/zinc/57/80/66/209578066.db2.gz MDKHJLIJXSVCRP-UHFFFAOYSA-N -2 0 365.371 0.318 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000280693851 212661870 /nfs/dbraw/zinc/66/18/70/212661870.db2.gz RLNCMKKKKGYBJC-UHFFFAOYSA-N -2 0 357.262 0.587 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2F)CC[C@@H]1C(=O)[O-] ZINC000275163293 211974139 /nfs/dbraw/zinc/97/41/39/211974139.db2.gz UHRNRPGKWNWUGS-BQBZGAKWSA-N -2 0 367.301 0.900 20 0 FCADRL COCCc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1 ZINC000274968600 211938801 /nfs/dbraw/zinc/93/88/01/211938801.db2.gz CARBJXKVSSVBBQ-UONOGXRCSA-N -2 0 371.411 0.672 20 0 FCADRL COCCc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1 ZINC000274968599 211938949 /nfs/dbraw/zinc/93/89/49/211938949.db2.gz CARBJXKVSSVBBQ-KGLIPLIRSA-N -2 0 371.411 0.672 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)Cc1ccc(Br)cc1 ZINC000274960481 211937820 /nfs/dbraw/zinc/93/78/20/211937820.db2.gz JDLGUCRPFIGQDF-UHFFFAOYSA-N -2 0 366.189 0.750 20 0 FCADRL Cc1cccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1Br ZINC000274903533 211924882 /nfs/dbraw/zinc/92/48/82/211924882.db2.gz IQFUWILOLRNDDC-SSDOTTSWSA-N -2 0 366.189 0.964 20 0 FCADRL C[C@@H]1CCCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@H]1C(=O)[O-] ZINC000424374816 247201510 /nfs/dbraw/zinc/20/15/10/247201510.db2.gz ZPTXUYKWAKZJOU-GMSGAONNSA-N -2 0 368.371 0.310 20 0 FCADRL CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)n1 ZINC000438763586 248094791 /nfs/dbraw/zinc/09/47/91/248094791.db2.gz LFWQLYQXZMMBIZ-UHFFFAOYSA-N -2 0 370.362 0.609 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)cc(C(=O)[O-])c1C ZINC000471116425 250091411 /nfs/dbraw/zinc/09/14/11/250091411.db2.gz NEXDZYROVLZVKL-UHFFFAOYSA-N -2 0 352.372 0.484 20 0 FCADRL Cc1ccc(Br)cc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-] ZINC000110969838 208272972 /nfs/dbraw/zinc/27/29/72/208272972.db2.gz LRTAOSXMRBMCFF-UHFFFAOYSA-N -2 0 366.189 0.917 20 0 FCADRL COc1cc(OC)cc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])c1 ZINC000278790514 488896042 /nfs/dbraw/zinc/89/60/42/488896042.db2.gz VAKHLGXYHNQPDR-GFCCVEGCSA-N -2 0 361.372 0.690 20 0 FCADRL C[C@@H]1Cc2cc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])ccc2O1 ZINC000278799115 488896789 /nfs/dbraw/zinc/89/67/89/488896789.db2.gz VUVAFJAFVXNRQB-BXKDBHETSA-N -2 0 357.384 0.996 20 0 FCADRL Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000326229664 488913891 /nfs/dbraw/zinc/91/38/91/488913891.db2.gz UUHGPOVATLRJHW-SECBINFHSA-N -2 0 360.344 0.890 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cn1 ZINC000326838433 488916579 /nfs/dbraw/zinc/91/65/79/488916579.db2.gz KRIJXPFRIQBMEI-UHFFFAOYSA-N -2 0 368.371 0.137 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1 ZINC000327102573 488918152 /nfs/dbraw/zinc/91/81/52/488918152.db2.gz XRWQMQLJIAUMTN-STQMWFEESA-N -2 0 370.383 0.441 20 0 FCADRL CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cn1 ZINC000066585254 488332009 /nfs/dbraw/zinc/33/20/09/488332009.db2.gz UXLHLDCOTQHXGG-UHFFFAOYSA-N -2 0 358.401 0.532 20 0 FCADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)s1 ZINC000189512187 488415097 /nfs/dbraw/zinc/41/50/97/488415097.db2.gz WWIVVBUORQCVAQ-UHFFFAOYSA-N -2 0 352.401 0.830 20 0 FCADRL COCCCn1c(=O)c2ccc(C(=O)NCCC(=O)[O-])cc2[n-]c1=S ZINC000269136486 488472906 /nfs/dbraw/zinc/47/29/06/488472906.db2.gz DQDNNBSHJRJWTG-UHFFFAOYSA-N -2 0 365.411 0.926 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@H](C)CC(=O)[O-])c1 ZINC000262247335 488559255 /nfs/dbraw/zinc/55/92/55/488559255.db2.gz RHBQLWYXJSHQBS-SECBINFHSA-N -2 0 371.415 0.857 20 0 FCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)NCc1cn(CC(=O)[O-])nn1 ZINC000262833402 488596255 /nfs/dbraw/zinc/59/62/55/488596255.db2.gz RYDGAYRPAJHPCF-UHFFFAOYSA-N -2 0 367.387 0.054 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)C(=O)[O-] ZINC000274902520 488742366 /nfs/dbraw/zinc/74/23/66/488742366.db2.gz IKUSKTAOSIVRQM-SECBINFHSA-N -2 0 371.289 0.834 20 0 FCADRL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])c(F)c1Cl ZINC000274944243 488746551 /nfs/dbraw/zinc/74/65/51/488746551.db2.gz ROFMUHHYHJVNIF-SSDOTTSWSA-N -2 0 372.733 0.300 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@H]1C(=O)[O-] ZINC000274958276 488748245 /nfs/dbraw/zinc/74/82/45/488748245.db2.gz BEKYKJYJFRBIBO-NWDGAFQWSA-N -2 0 355.368 0.418 20 0 FCADRL COC(=O)c1c(F)cccc1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000275026150 488754203 /nfs/dbraw/zinc/75/42/03/488754203.db2.gz SOTRMYRRLYOOCS-SSDOTTSWSA-N -2 0 363.319 0.066 20 0 FCADRL CCOC(=O)c1cccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000275065493 488758330 /nfs/dbraw/zinc/75/83/30/488758330.db2.gz ZSZQRKJVMRNYKT-JTQLQIEISA-N -2 0 359.356 0.317 20 0 FCADRL CC(C)N(CCC(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000275103431 488761983 /nfs/dbraw/zinc/76/19/83/488761983.db2.gz JESOCVCWWXZLNA-UHFFFAOYSA-N -2 0 356.360 0.310 20 0 FCADRL C[C@@](O)(CNS(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161817897 488798830 /nfs/dbraw/zinc/79/88/30/488798830.db2.gz DBLXXXDPEQLTCM-SNVBAGLBSA-N -2 0 356.169 0.702 20 0 FCADRL O=C([O-])[C@H](CCO)NS(=O)(=O)c1ccc(Br)cc1F ZINC000161801872 488798909 /nfs/dbraw/zinc/79/89/09/488798909.db2.gz MNHHOHNSMOVAGF-QMMMGPOBSA-N -2 0 356.169 0.702 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161826335 488798939 /nfs/dbraw/zinc/79/89/39/488798939.db2.gz REBQUKSHTCWVMN-ZETCQYMHSA-N -3 0 370.152 0.794 20 0 FCADRL O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(Br)cc1F ZINC000161796310 488799023 /nfs/dbraw/zinc/79/90/23/488799023.db2.gz XBINZEVSIXPTPU-UHFFFAOYSA-N -2 0 369.168 0.067 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc(Br)cc1F ZINC000161809302 488799134 /nfs/dbraw/zinc/79/91/34/488799134.db2.gz SSLNGMMPNZNNHG-UHFFFAOYSA-N -2 0 370.152 0.748 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)Cc1cccc(Br)c1 ZINC000563225518 491229013 /nfs/dbraw/zinc/22/90/13/491229013.db2.gz GBYNEZJOXLXRRS-UHFFFAOYSA-N -2 0 366.189 0.750 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccc3nsnc32)C[C@H]1C(=O)[O-] ZINC000281168334 489057792 /nfs/dbraw/zinc/05/77/92/489057792.db2.gz BVSWMLJNWDICCB-HTQZYQBOSA-N -2 0 371.396 0.487 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)c2cccc3nsnc32)C[C@H]1C(=O)[O-] ZINC000281168340 489058247 /nfs/dbraw/zinc/05/82/47/489058247.db2.gz BVSWMLJNWDICCB-JGVFFNPUSA-N -2 0 371.396 0.487 20 0 FCADRL O=C([O-])[C@H]1CCN(S(=O)(=O)c2cccc3c2OCC3)C[C@H]1C(=O)[O-] ZINC000570506497 491245427 /nfs/dbraw/zinc/24/54/27/491245427.db2.gz QZMJZLDKHFHGER-WDEREUQCSA-N -2 0 355.368 0.418 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1c(Cl)nc2ccccn21)C(=O)[O-] ZINC000298838197 489371991 /nfs/dbraw/zinc/37/19/91/489371991.db2.gz AGARPGDUAMNRPP-ZETCQYMHSA-N -2 0 361.763 0.584 20 0 FCADRL NC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cn1 ZINC000298843692 489373376 /nfs/dbraw/zinc/37/33/76/489373376.db2.gz HQQBVOAABMEGLW-UHFFFAOYSA-N -2 0 364.383 0.356 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2cccc(NS(C)(=O)=O)c2)cc1C(=O)[O-] ZINC000491142707 489796340 /nfs/dbraw/zinc/79/63/40/489796340.db2.gz KTZWVASEBDIYJJ-UHFFFAOYSA-N -2 0 373.412 0.896 20 0 FCADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000476402024 489884218 /nfs/dbraw/zinc/88/42/18/489884218.db2.gz CSXYPKDTSDIZBL-UHFFFAOYSA-N -2 0 373.412 0.929 20 0 FCADRL NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000462099259 489957217 /nfs/dbraw/zinc/95/72/17/489957217.db2.gz CGGVOQYOPNPBHJ-UHFFFAOYSA-N -2 0 370.408 0.762 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)Cc2cccc(F)c2F)C[C@H]1C(=O)[O-] ZINC000571214450 491293410 /nfs/dbraw/zinc/29/34/10/491293410.db2.gz KZUPJJZAFCCOAA-NXEZZACHSA-N -2 0 363.338 0.902 20 0 FCADRL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1C(N)=O ZINC000545472370 490142424 /nfs/dbraw/zinc/14/24/24/490142424.db2.gz WSPWINPQOSTVOF-UHFFFAOYSA-N -2 0 352.372 0.933 20 0 FCADRL COc1cc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)ccc1C(=O)[O-] ZINC000392645066 490153590 /nfs/dbraw/zinc/15/35/90/490153590.db2.gz JLEVCYQTOMZFAU-UHFFFAOYSA-N -2 0 353.356 0.632 20 0 FCADRL CN(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c(C(N)=O)c1 ZINC000507024671 490162712 /nfs/dbraw/zinc/16/27/12/490162712.db2.gz BAIPBDLTALMVDO-UHFFFAOYSA-N -2 0 366.399 0.689 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000547551806 490315820 /nfs/dbraw/zinc/31/58/20/490315820.db2.gz OOWBTFIDNBFEHX-LURJTMIESA-N -2 0 352.708 0.454 20 0 FCADRL COc1ccccc1-n1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cn1 ZINC000547553023 490316060 /nfs/dbraw/zinc/31/60/60/490316060.db2.gz IWHBEAHMTFJZTE-JTQLQIEISA-N -2 0 369.355 0.087 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000547577316 490322046 /nfs/dbraw/zinc/32/20/46/490322046.db2.gz YMPALVSRIYQGAA-ZCFIWIBFSA-N -2 0 366.735 0.702 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C(=O)[O-] ZINC000547593022 490325797 /nfs/dbraw/zinc/32/57/97/490325797.db2.gz MQLYLZORMMGZFZ-RQJHMYQMSA-N -2 0 364.357 0.452 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cs1 ZINC000547608256 490328537 /nfs/dbraw/zinc/32/85/37/490328537.db2.gz ZDYFELJKVQBWKK-GFCCVEGCSA-N -2 0 365.385 0.379 20 0 FCADRL COc1cccc(OC)c1S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000547611322 490330011 /nfs/dbraw/zinc/33/00/11/490330011.db2.gz BXLBPRIFAULLLK-CQSZACIVSA-N -2 0 361.372 0.548 20 0 FCADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000547873775 490372884 /nfs/dbraw/zinc/37/28/84/490372884.db2.gz XZWNGQJBRFSTLN-UHFFFAOYSA-N -2 0 371.346 0.031 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1cnn(Cc2ccccc2)c1)C(=O)[O-] ZINC000547879539 490373806 /nfs/dbraw/zinc/37/38/06/490373806.db2.gz UVICYFAWCBCPEV-GFCCVEGCSA-N -2 0 353.356 0.138 20 0 FCADRL CC(=O)Nc1ccc(C)c(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000547896866 490380864 /nfs/dbraw/zinc/38/08/64/490380864.db2.gz SDNUKQWDJONSJK-SNVBAGLBSA-N -2 0 358.372 0.407 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1ccccc1-c1ccno1)C(=O)[O-] ZINC000547912364 490384706 /nfs/dbraw/zinc/38/47/06/490384706.db2.gz BNLRHBGNZJRRBD-JTQLQIEISA-N -2 0 354.340 0.938 20 0 FCADRL COCCc1ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc1 ZINC000547934265 490391225 /nfs/dbraw/zinc/39/12/25/490391225.db2.gz KYUHYLRABVEEOP-HNNXBMFYSA-N -2 0 359.400 0.719 20 0 FCADRL C[C@@](CNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)(CC(=O)[O-])C(=O)[O-] ZINC000547936112 490392115 /nfs/dbraw/zinc/39/21/15/490392115.db2.gz XDSRRFFTNQXPJQ-HNNXBMFYSA-N -2 0 368.367 0.372 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(=O)C(N)=O)c1 ZINC000509389779 490422092 /nfs/dbraw/zinc/42/20/92/490422092.db2.gz VFXGZBZMLDFBJX-UHFFFAOYSA-N -2 0 367.339 0.511 20 0 FCADRL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1 ZINC000571726529 491325529 /nfs/dbraw/zinc/32/55/29/491325529.db2.gz CASLAITUIJPJOZ-UHFFFAOYSA-N -2 0 352.372 0.621 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cn1 ZINC000484496336 490434565 /nfs/dbraw/zinc/43/45/65/490434565.db2.gz HTBRTUQEKFRLBB-UHFFFAOYSA-N -2 0 353.356 0.484 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1)C(=O)[O-] ZINC000548204034 490437935 /nfs/dbraw/zinc/43/79/35/490437935.db2.gz PLHCBCHWCDWZFI-SSDOTTSWSA-N -2 0 372.277 0.229 20 0 FCADRL CCn1nc(C)c(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1C ZINC000548244105 490448389 /nfs/dbraw/zinc/44/83/89/490448389.db2.gz HCTZEWOLCALPLE-QWRGUYRKSA-N -2 0 359.404 0.316 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cc1C(N)=O ZINC000548247624 490448782 /nfs/dbraw/zinc/44/87/82/490448782.db2.gz SBGTUACZBNMLQV-OAHLLOKOSA-N -2 0 370.383 0.034 20 0 FCADRL CC(=O)N1CCc2cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])ccc21 ZINC000548549759 490504092 /nfs/dbraw/zinc/50/40/92/490504092.db2.gz IJVUCHVZRCMJGI-LLVKDONJSA-N -2 0 370.383 0.049 20 0 FCADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000564859713 491331899 /nfs/dbraw/zinc/33/18/99/491331899.db2.gz PKQFJBCEEBXYSK-NSHDSACASA-N -2 0 361.420 0.752 20 0 FCADRL Cc1ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc1N(C)C ZINC000548589049 490513388 /nfs/dbraw/zinc/51/33/88/490513388.db2.gz APWNIDWHDDPHLB-OAHLLOKOSA-N -2 0 358.416 0.905 20 0 FCADRL C[C@](CNS(=O)(=O)c1ccc(Br)o1)(CC(=O)[O-])C(=O)[O-] ZINC000548588095 490513589 /nfs/dbraw/zinc/51/35/89/490513589.db2.gz HDMIHSGQAUZUPI-SNVBAGLBSA-N -2 0 370.177 0.886 20 0 FCADRL O=C([O-])c1coc(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c1 ZINC000527200122 490708038 /nfs/dbraw/zinc/70/80/38/490708038.db2.gz KQXGAKATVNOTSR-UHFFFAOYSA-N -2 0 366.311 0.206 20 0 FCADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c1 ZINC000538094625 490710427 /nfs/dbraw/zinc/71/04/27/490710427.db2.gz ANIICCGJDNHKEH-UHFFFAOYSA-N -3 0 355.328 0.631 20 0 FCADRL C[C@H](COC1CCCC1)CS(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000565054416 491348675 /nfs/dbraw/zinc/34/86/75/491348675.db2.gz LACSCHLDUCRRML-PWSUYJOCSA-N -2 0 351.421 0.819 20 0 FCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)CCOCC2CCCC2)C[C@@H]1C(=O)[O-] ZINC000557082573 491352065 /nfs/dbraw/zinc/35/20/65/491352065.db2.gz KDMPYXNDZHKLOA-OLZOCXBDSA-N -2 0 363.432 0.630 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1C ZINC000504286920 490794229 /nfs/dbraw/zinc/79/42/29/490794229.db2.gz XOABXOCAWSIYOF-UHFFFAOYSA-N -2 0 358.401 0.498 20 0 FCADRL NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1F ZINC000540041577 490805795 /nfs/dbraw/zinc/80/57/95/490805795.db2.gz TZWBYRZIGPRBPJ-UHFFFAOYSA-N -2 0 374.371 0.972 20 0 FCADRL C[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000530420897 490904518 /nfs/dbraw/zinc/90/45/18/490904518.db2.gz YBLWYTNQGOGKGQ-YUMQZZPRSA-N -2 0 368.371 0.310 20 0 FCADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)cc1C(=O)[O-] ZINC000518089131 490930206 /nfs/dbraw/zinc/93/02/06/490930206.db2.gz PJFYZHRZFQDWCY-UHFFFAOYSA-N -2 0 352.372 0.484 20 0 FCADRL CC(C)[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000567166766 491489863 /nfs/dbraw/zinc/48/98/63/491489863.db2.gz NQVOHXVVPJRQOS-LLVKDONJSA-N -2 0 350.343 0.469 20 0 FCADRL COC(=O)c1coc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000578732526 491683100 /nfs/dbraw/zinc/68/31/00/491683100.db2.gz KXTHAAMKGQRJNE-ZETCQYMHSA-N -2 0 359.278 0.998 20 0 FCADRL C[C@@H](CN(C)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000580192526 491721139 /nfs/dbraw/zinc/72/11/39/491721139.db2.gz RGMNEUBYMANXBW-QMMMGPOBSA-N -2 0 350.343 0.422 20 0 FCADRL COC(=O)c1cc(F)cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000581064559 491757558 /nfs/dbraw/zinc/75/75/58/491757558.db2.gz QMOIGEVUOFPHOQ-QMMMGPOBSA-N -2 0 363.319 0.066 20 0 FCADRL COC(=O)c1nscc1S(=O)(=O)N[C@@H](C)[C@H](C(=O)[O-])C(C)C ZINC000581483703 491774663 /nfs/dbraw/zinc/77/46/63/491774663.db2.gz DUMKOCDNPIPBFZ-IONNQARKSA-N -2 0 350.418 0.953 20 0 FCADRL COCc1cccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)c1 ZINC000583540608 491846954 /nfs/dbraw/zinc/84/69/54/491846954.db2.gz BHYLRPRFGVDNPP-OAHLLOKOSA-N -2 0 357.384 0.773 20 0 FCADRL CC[C@H](C)[C@H]1CN(C(=O)c2cc(=O)[nH][n-]2)CCN1C(=O)c1cc(=O)[nH][n-]1 ZINC000612882639 491956991 /nfs/dbraw/zinc/95/69/91/491956991.db2.gz FZVKAYCOFRYFSW-JOYOIKCWSA-N -2 0 362.390 0.557 20 0 FCADRL COC(=O)c1oc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc1C ZINC000596035134 491972685 /nfs/dbraw/zinc/97/26/85/491972685.db2.gz NMIJAIUHEIHHHB-CYBMUJFWSA-N -2 0 363.344 0.219 20 0 FCADRL Cn1[n-]c(C(=O)NC[C@H](NC(=O)c2cc(=O)n(C)[n-]2)C(C)(C)C)cc1=O ZINC000614404730 492028071 /nfs/dbraw/zinc/02/80/71/492028071.db2.gz JMGBKAXXFQHPEC-NSHDSACASA-N -2 0 364.406 0.139 20 0 FCADRL Cc1[nH]nc(C(=O)N2CCN(C(=O)c3n[nH]c(C)c3[O-])[C@H](C)[C@H]2C)c1[O-] ZINC000620746592 492332745 /nfs/dbraw/zinc/33/27/45/492332745.db2.gz CWOUAANKSKFJBR-NXEZZACHSA-N -2 0 362.390 0.536 20 0 FCADRL C[C@@](CNS(=O)(=O)CCc1c(F)cccc1F)(CC(=O)[O-])C(=O)[O-] ZINC000629296380 492603420 /nfs/dbraw/zinc/60/34/20/492603420.db2.gz YSSCWNAFVZCHEV-AWEZNQCLSA-N -2 0 365.354 0.992 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)CCc1c(F)cccc1F)C(=O)[O-] ZINC000629297327 492604047 /nfs/dbraw/zinc/60/40/47/492604047.db2.gz PNOCVKJFZVYDMH-MRVPVSSYSA-N -2 0 351.327 0.602 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCc2ccccc2F)C1 ZINC000656513789 492627277 /nfs/dbraw/zinc/62/72/77/492627277.db2.gz BKKFZFXJYCUGOT-OAHLLOKOSA-N -2 0 359.375 0.949 20 0 FCADRL CC12CC(C(=O)[O-])(C1)N(S(=O)(=O)c1c[nH]c3nc(=O)[n-]c(=O)c-3c1)C2 ZINC000656522356 492629540 /nfs/dbraw/zinc/62/95/40/492629540.db2.gz BYKDBQAGHPVDHV-UHFFFAOYSA-N -2 0 366.355 0.064 20 0 FCADRL Cc1ccc2ncccc2c1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-] ZINC000681578765 493189337 /nfs/dbraw/zinc/18/93/37/493189337.db2.gz SXACQUWZHLWVBR-JTQLQIEISA-N -2 0 352.368 0.997 20 0 FCADRL O=C([O-])Cc1ccc(C[C@H](NS(=O)(=O)c2cccnc2)C(=O)[O-])cc1 ZINC000684561849 493419282 /nfs/dbraw/zinc/41/92/82/493419282.db2.gz MVUMJQAUDCRHQS-AWEZNQCLSA-N -2 0 364.379 0.683 20 0 FCADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000663115472 493572302 /nfs/dbraw/zinc/57/23/02/493572302.db2.gz CCSNGWIJYLZGFU-GWCFXTLKSA-N -2 0 354.403 0.657 20 0 FCADRL COc1cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])ccc1Cl ZINC000666157799 493760410 /nfs/dbraw/zinc/76/04/10/493760410.db2.gz TWUNFZRCAGEUCQ-SECBINFHSA-N -2 0 351.764 0.945 20 0 FCADRL COCCOc1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000324174648 546847505 /nfs/dbraw/zinc/84/75/05/546847505.db2.gz GMXFTXHECAZYEB-GFCCVEGCSA-N -2 0 361.372 0.308 20 0 FCADRL O=C([O-])[C@@H]1CC(C(=O)NCCCc2n[nH]c(=O)[n-]2)=NN1c1ccccc1 ZINC000819181669 597484283 /nfs/dbraw/zinc/48/42/83/597484283.db2.gz TYCASFYDHUAVRP-LBPRGKRZSA-N -2 0 358.358 0.279 20 0 FCADRL O=C([O-])[C@@H]1CC(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)=NN1c1ccccc1 ZINC000821483476 598055174 /nfs/dbraw/zinc/05/51/74/598055174.db2.gz DDGKDIRFBVXJEQ-RISCZKNCSA-N -2 0 369.385 0.625 20 0 FCADRL COc1ccc(S(=O)(=O)NCC(=O)[O-])c([N-]S(=O)(=O)C(F)F)c1 ZINC000776437451 598135269 /nfs/dbraw/zinc/13/52/69/598135269.db2.gz MYYHYWCBOYPHLF-UHFFFAOYSA-N -2 0 374.343 0.022 20 0 FCADRL CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000737202830 599727710 /nfs/dbraw/zinc/72/77/10/599727710.db2.gz HFPGZSXHLIBNGL-GHMZBOCLSA-N -2 0 370.383 0.569 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n1 ZINC000737631878 599739036 /nfs/dbraw/zinc/73/90/36/599739036.db2.gz WBYHCYSJLUSMRE-UHFFFAOYSA-N -2 0 355.328 0.261 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCO)cc2)o1 ZINC000739417332 599739112 /nfs/dbraw/zinc/73/91/12/599739112.db2.gz XQNFFNLRINSOOV-UHFFFAOYSA-N -2 0 368.367 0.891 20 0 FCADRL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)CCNC(=O)[O-] ZINC000738040378 599797089 /nfs/dbraw/zinc/79/70/89/599797089.db2.gz SURIVTRPLJVIIJ-UHFFFAOYSA-N -2 0 359.360 0.116 20 0 FCADRL CC[C@H](C)[C@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)[O-])C(=O)[O-] ZINC000737237765 599870998 /nfs/dbraw/zinc/87/09/98/599870998.db2.gz PBBQVKOXXGGPMK-UFBFGSQYSA-N -2 0 373.383 0.949 20 0 FCADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2nc3ncccn3n2)cc1 ZINC000739742293 599883631 /nfs/dbraw/zinc/88/36/31/599883631.db2.gz IXGOVMLSZCEKAA-UHFFFAOYSA-N -2 0 363.355 0.779 20 0 FCADRL CN(CCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000737429883 599910600 /nfs/dbraw/zinc/91/06/00/599910600.db2.gz PDPRFFQIEVLMQJ-UHFFFAOYSA-N -2 0 358.372 0.653 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-])cc1OC ZINC000738062183 599910957 /nfs/dbraw/zinc/91/09/57/599910957.db2.gz SNEQOAPDLDOGQQ-UHFFFAOYSA-N -2 0 360.388 0.899 20 0 FCADRL CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000737177497 599912564 /nfs/dbraw/zinc/91/25/64/599912564.db2.gz OVMRVHDDAUCIQR-NSHDSACASA-N -2 0 359.400 0.772 20 0 FCADRL Cc1nn2c([n-]nc2SCC(=O)Nc2ccccc2C(=O)[O-])nc1=O ZINC000738379071 600003535 /nfs/dbraw/zinc/00/35/35/600003535.db2.gz NRCXROIWRVYZAA-UHFFFAOYSA-N -2 0 360.355 0.550 20 0 FCADRL Cc1nc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)sc1C(=O)[O-] ZINC000738363858 600055060 /nfs/dbraw/zinc/05/50/60/600055060.db2.gz OKIGUGOHEDGXON-UHFFFAOYSA-N -2 0 366.384 0.926 20 0 FCADRL C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736699526 600129226 /nfs/dbraw/zinc/12/92/26/600129226.db2.gz DLTMTMFKDXTSGK-IUCAKERBSA-N -2 0 363.413 0.835 20 0 FCADRL Cc1ccc([C@@H](CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C(=O)[O-])cc1 ZINC000738562485 600161476 /nfs/dbraw/zinc/16/14/76/600161476.db2.gz WQXMHMWMLHKQAP-GFCCVEGCSA-N -2 0 355.354 0.364 20 0 FCADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cn1 ZINC000739911636 600211365 /nfs/dbraw/zinc/21/13/65/600211365.db2.gz JAOUNCSSDMAWJH-UHFFFAOYSA-N -2 0 350.356 0.054 20 0 FCADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000738248924 600232110 /nfs/dbraw/zinc/23/21/10/600232110.db2.gz ICNPHSMLIVQSJA-UHFFFAOYSA-N -2 0 352.372 0.262 20 0 FCADRL CNC(=O)c1cccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])c1C ZINC000737552078 600232239 /nfs/dbraw/zinc/23/22/39/600232239.db2.gz OFXATQLIVVRZAL-UHFFFAOYSA-N -2 0 352.372 0.885 20 0 FCADRL CC(=O)c1[nH]c(CC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c(C(=O)[O-])c1C ZINC000736177699 600243040 /nfs/dbraw/zinc/24/30/40/600243040.db2.gz OIZGVQZAQJXNHI-SECBINFHSA-N -2 0 358.372 0.001 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)CCCn2ccccc2=O)c1 ZINC000739243877 600273155 /nfs/dbraw/zinc/27/31/55/600273155.db2.gz OOTJRAXHXWYFTO-UHFFFAOYSA-N -2 0 364.379 0.832 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cc1C(N)=O ZINC000739036025 600302943 /nfs/dbraw/zinc/30/29/43/600302943.db2.gz AHQBNUQZSFLWCJ-UHFFFAOYSA-N -2 0 352.372 0.692 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)nc2)c1C(=O)[O-] ZINC000738337001 600424194 /nfs/dbraw/zinc/42/41/94/600424194.db2.gz CZNLVMVSJVKFPZ-UHFFFAOYSA-N -2 0 365.371 0.961 20 0 FCADRL C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736096721 600460325 /nfs/dbraw/zinc/46/03/25/600460325.db2.gz JBWHZTWVNJFUAO-LLVKDONJSA-N -2 0 366.395 0.812 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)Cc1cc2ccccc2[nH]c1=O ZINC000739693090 600460697 /nfs/dbraw/zinc/46/06/97/600460697.db2.gz VFRWXJQEZMGSCH-UHFFFAOYSA-N -2 0 352.368 0.794 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000739696005 600461101 /nfs/dbraw/zinc/46/11/01/600461101.db2.gz UZPPYVHYMJBSSN-SNVBAGLBSA-N -2 0 372.374 0.489 20 0 FCADRL CN(C(=O)C1CC1)c1ccccc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000737311053 600465096 /nfs/dbraw/zinc/46/50/96/600465096.db2.gz IJWTZAKLZQLIEM-UHFFFAOYSA-N -2 0 368.411 0.984 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000739696011 600466488 /nfs/dbraw/zinc/46/64/88/600466488.db2.gz VJQSUNNFHPFQKW-SECBINFHSA-N -2 0 360.354 0.572 20 0 FCADRL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cnccc1C(=O)[O-] ZINC000737147439 600514372 /nfs/dbraw/zinc/51/43/72/600514372.db2.gz BXOBPUZOLWHSOD-UHFFFAOYSA-N -2 0 354.344 0.789 20 0 FCADRL O=C([O-])[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000739549108 600518804 /nfs/dbraw/zinc/51/88/04/600518804.db2.gz RXXUSGAJQURCKX-NXEZZACHSA-N -2 0 353.331 0.537 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]NC(=O)c2cccn2C)cc1C(=O)[O-] ZINC000055574784 600541373 /nfs/dbraw/zinc/54/13/73/600541373.db2.gz OCRXWNKZSOCDRD-UHFFFAOYSA-N -2 0 353.356 0.355 20 0 FCADRL NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c1 ZINC000321887401 600576108 /nfs/dbraw/zinc/57/61/08/600576108.db2.gz RGZKZWCVXHXLSF-UHFFFAOYSA-N -2 0 357.369 0.228 20 0 FCADRL Cn1c2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccn3)cc2n(C)c1=O ZINC000739003552 600577363 /nfs/dbraw/zinc/57/73/63/600577363.db2.gz KPIDMJQDUJMYSL-UHFFFAOYSA-N -2 0 362.367 0.771 20 0 FCADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N(C)C[C@H](C)C(=O)[O-])c1 ZINC000263050850 600593829 /nfs/dbraw/zinc/59/38/29/600593829.db2.gz WVUNTQOJJWMXJM-VIFPVBQESA-N -2 0 371.415 0.809 20 0 FCADRL COC(=O)c1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)ccc1F ZINC000325117722 600673070 /nfs/dbraw/zinc/67/30/70/600673070.db2.gz PKCKPWJOTODUMG-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL COCCOc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000392104316 600674536 /nfs/dbraw/zinc/67/45/36/600674536.db2.gz KJEIDYOZQCMWFV-UHFFFAOYSA-N -2 0 355.372 0.794 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(NC(=O)[O-])c2)cn1 ZINC000831192141 600676974 /nfs/dbraw/zinc/67/69/74/600676974.db2.gz CBTYYMWYOVNSQA-UHFFFAOYSA-N -2 0 354.344 0.947 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cn1 ZINC000833274103 600677235 /nfs/dbraw/zinc/67/72/35/600677235.db2.gz PLGBYHLAXZXWOZ-UHFFFAOYSA-N -2 0 366.399 0.605 20 0 FCADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000832182747 600678252 /nfs/dbraw/zinc/67/82/52/600678252.db2.gz LOUYLOPNYRKGSC-UHFFFAOYSA-N -3 0 355.328 0.475 20 0 FCADRL COCCOc1ccccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000831785113 600678421 /nfs/dbraw/zinc/67/84/21/600678421.db2.gz ZZIONPHESHPXCM-UHFFFAOYSA-N -2 0 355.372 0.794 20 0 FCADRL C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000832729586 600682929 /nfs/dbraw/zinc/68/29/29/600682929.db2.gz GOKRXTKSPOFETC-QFIPXVFZSA-N -2 0 357.413 0.647 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1)c1cccs1 ZINC000831084095 600744240 /nfs/dbraw/zinc/74/42/40/600744240.db2.gz GPYSDOUHVHANON-NSHDSACASA-N -2 0 359.385 0.222 20 0 FCADRL CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000826970756 600941154 /nfs/dbraw/zinc/94/11/54/600941154.db2.gz AHHBYKCGKZBFTD-UHFFFAOYSA-N -2 0 362.429 0.946 20 0 FCADRL CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000829508693 600943384 /nfs/dbraw/zinc/94/33/84/600943384.db2.gz YWYWYQBGCKKEFL-UHFFFAOYSA-N -2 0 356.400 0.886 20 0 FCADRL CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000826753627 600943636 /nfs/dbraw/zinc/94/36/36/600943636.db2.gz DHSSJKVOWFBMNR-UHFFFAOYSA-N -2 0 370.427 0.883 20 0 FCADRL CSc1nc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c2ccccn21 ZINC000832794925 600946991 /nfs/dbraw/zinc/94/69/91/600946991.db2.gz NIULFHMWSLPNBH-UHFFFAOYSA-N -2 0 357.413 0.981 20 0 FCADRL Cc1cc(C(=O)NCCSCCC(=O)[O-])[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000832864110 600952249 /nfs/dbraw/zinc/95/22/49/600952249.db2.gz KDZAIQGQSHKCGR-UHFFFAOYSA-N -2 0 352.372 0.682 20 0 FCADRL Cc1nccn1-c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cn1 ZINC000392667543 600977876 /nfs/dbraw/zinc/97/78/76/600977876.db2.gz JTLFTESQJYUWNN-UHFFFAOYSA-N -2 0 362.371 0.658 20 0 FCADRL CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC000831000944 600984136 /nfs/dbraw/zinc/98/41/36/600984136.db2.gz SBFWXXMRQIQSTC-UHFFFAOYSA-N -2 0 373.778 0.177 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1 ZINC000833276424 600986965 /nfs/dbraw/zinc/98/69/65/600986965.db2.gz BTGKDEZBFPBKPE-UHFFFAOYSA-N -2 0 365.371 0.290 20 0 FCADRL Cc1noc(C(F)F)c1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000833020124 601192785 /nfs/dbraw/zinc/19/27/85/601192785.db2.gz UWPBCUSOXOIBJY-UHFFFAOYSA-N -2 0 367.330 0.692 20 0 FCADRL Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)nc2n1 ZINC000832857945 601201228 /nfs/dbraw/zinc/20/12/28/601201228.db2.gz FFXWGEZSIXFVDA-UHFFFAOYSA-N -2 0 363.355 0.533 20 0 FCADRL Cc1oc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1C(=O)[O-] ZINC000833030476 601231754 /nfs/dbraw/zinc/23/17/54/601231754.db2.gz YLBLKYAEBTZQTJ-UHFFFAOYSA-N -2 0 360.369 0.734 20 0 FCADRL CCC[C@@](C)(NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000829201740 601274859 /nfs/dbraw/zinc/27/48/59/601274859.db2.gz CZPLRQVZMBLQLW-CYBMUJFWSA-N -2 0 356.360 0.358 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)cc(C)c1OCC(=O)[O-] ZINC000832864735 601499022 /nfs/dbraw/zinc/49/90/22/601499022.db2.gz DVVWZYMUPPMYHT-UHFFFAOYSA-N -2 0 367.383 0.619 20 0 FCADRL CC(C)C[C@H](C)OCCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000826763476 601598247 /nfs/dbraw/zinc/59/82/47/601598247.db2.gz AJRSKZLKRJHZNG-LBPRGKRZSA-N -2 0 364.464 0.985 20 0 FCADRL Cc1noc(CCC(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)n1 ZINC000833022888 601599175 /nfs/dbraw/zinc/59/91/75/601599175.db2.gz KGHGXVXCGPZVOJ-UHFFFAOYSA-N -2 0 353.356 0.655 20 0 FCADRL CC[C@@H](NC(=O)c1ccc(-n2[n-]c(CC(=O)OC)cc2=O)cc1)C(=O)[O-] ZINC000818303015 601751979 /nfs/dbraw/zinc/75/19/79/601751979.db2.gz CVFBUQXQWPJSNH-CYBMUJFWSA-N -2 0 361.354 0.474 20 0 FCADRL NC(=O)COc1cccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000833083128 601833679 /nfs/dbraw/zinc/83/36/79/601833679.db2.gz ODEZIZFXEDPHBU-UHFFFAOYSA-N -2 0 357.369 0.506 20 0 FCADRL Cc1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])ccc1-n1cnnn1 ZINC000832898946 601834516 /nfs/dbraw/zinc/83/45/16/601834516.db2.gz MLFFZWDRMKWADP-UHFFFAOYSA-N -2 0 366.384 0.926 20 0 FCADRL CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cn1 ZINC000832720179 601835788 /nfs/dbraw/zinc/83/57/88/601835788.db2.gz KNZJKVNLCRGXLS-UHFFFAOYSA-N -2 0 363.398 0.441 20 0 FCADRL Cn1c2ccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])cc2n(C)c1=O ZINC000833038197 601839121 /nfs/dbraw/zinc/83/91/21/601839121.db2.gz QMUVIOODOCNPRF-UHFFFAOYSA-N -2 0 368.396 0.833 20 0 FCADRL COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000831192765 601843722 /nfs/dbraw/zinc/84/37/22/601843722.db2.gz SZCPGNMJHHEIBP-UHFFFAOYSA-N -2 0 374.762 0.604 20 0 FCADRL COC(=O)Cc1cccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])c1 ZINC000831189150 601988489 /nfs/dbraw/zinc/98/84/89/601988489.db2.gz QWNXZRDFCUIILY-UHFFFAOYSA-N -2 0 353.356 0.933 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1C(N)=O ZINC000832654116 602319871 /nfs/dbraw/zinc/31/98/71/602319871.db2.gz IKWNDRSTWXAFFM-UHFFFAOYSA-N -2 0 369.355 0.898 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1C(N)=O ZINC000832653944 602320034 /nfs/dbraw/zinc/32/00/34/602320034.db2.gz HMKALGXEZAAEGJ-UHFFFAOYSA-N -2 0 369.330 0.827 20 0 FCADRL CC(C)[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1 ZINC000736373613 602671870 /nfs/dbraw/zinc/67/18/70/602671870.db2.gz FSKVWCUIUJZDMY-CYBMUJFWSA-N -2 0 355.416 0.698 20 0 FCADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]C(=O)CN(C)C(=O)[O-])cn1 ZINC000829586303 603516713 /nfs/dbraw/zinc/51/67/13/603516713.db2.gz VXVMYPHNZTZCBN-UHFFFAOYSA-N -2 0 368.371 0.296 20 0 FCADRL CC(C)[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000736376193 604375209 /nfs/dbraw/zinc/37/52/09/604375209.db2.gz SAIIKQGQQBMTBR-ZDUSSCGKSA-N -2 0 366.399 0.969 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2nnc(C(F)(F)F)s2)cn1 ZINC000833274322 604403211 /nfs/dbraw/zinc/40/32/11/604403211.db2.gz ZETOSZMJSOYKGB-UHFFFAOYSA-N -2 0 357.295 0.639 20 0 FCADRL Cc1cc(C(=O)N(C)[C@H](COC(C)C)C(=O)[O-])[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000832859715 604448457 /nfs/dbraw/zinc/44/84/57/604448457.db2.gz QCMRAODKEVXUGI-SNVBAGLBSA-N -2 0 364.358 0.695 20 0 FCADRL O=C([O-])[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC000833173189 604708728 /nfs/dbraw/zinc/70/87/28/604708728.db2.gz OEWZMFUXUWNWIE-NSHDSACASA-N -2 0 365.777 0.747 20 0 FCADRL CCOc1ncccc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000833665856 604738553 /nfs/dbraw/zinc/73/85/53/604738553.db2.gz YTGFCCRWXILLLQ-UHFFFAOYSA-N -2 0 357.388 0.252 20 0 FCADRL CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000828557614 604816419 /nfs/dbraw/zinc/81/64/19/604816419.db2.gz MNEKIDZXQFQXHT-LLVKDONJSA-N -2 0 354.384 0.448 20 0 FCADRL CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cn1C ZINC000833687551 605050434 /nfs/dbraw/zinc/05/04/34/605050434.db2.gz UJRGRSWYYIXQAH-UHFFFAOYSA-N -2 0 372.428 0.611 20 0 FCADRL CC(C)(C)OC(=O)N(CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1CC1 ZINC000833434409 605161233 /nfs/dbraw/zinc/16/12/33/605161233.db2.gz MEVRBDORHOFCMZ-UHFFFAOYSA-N -2 0 364.420 0.697 20 0 FCADRL Cc1cc(F)c(S(=O)(=O)[N-]C(=O)c2cnc(C(=O)[O-])cn2)cc1F ZINC000833744821 605706041 /nfs/dbraw/zinc/70/60/41/605706041.db2.gz QRRNKVAMJNUQJX-UHFFFAOYSA-N -2 0 357.294 0.880 20 0 FCADRL O=C([O-])c1cn(C2CN(C(=O)c3ccc4c(=O)[nH]c(=S)[n-]c4c3)C2)nn1 ZINC000833783883 605727767 /nfs/dbraw/zinc/72/77/67/605727767.db2.gz DZKBFBLJLXIVPC-UHFFFAOYSA-N -2 0 372.366 0.611 20 0 FCADRL CC(C)[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000833469713 605784389 /nfs/dbraw/zinc/78/43/89/605784389.db2.gz YJCTWXVYRGCOKJ-LBPRGKRZSA-N -2 0 371.415 0.486 20 0 FCADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nn(C)cc1-c1nn[nH]n1 ZINC000822184719 606865963 /nfs/dbraw/zinc/86/59/63/606865963.db2.gz ZYQSELIZOCRHIC-UHFFFAOYSA-N -2 0 363.359 0.408 20 0 FCADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)cc1F ZINC000826461946 607847136 /nfs/dbraw/zinc/84/71/36/607847136.db2.gz KRQOIONPUOONHO-UHFFFAOYSA-N -2 0 364.318 0.900 20 0 FCADRL N#Cc1ccccc1CS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000325567597 663288711 /nfs/dbraw/zinc/28/87/11/663288711.db2.gz KRMGQDFJVDQSMF-OLZOCXBDSA-N -2 0 352.368 0.495 20 0 FCADRL COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCO2 ZINC000912524390 666449530 /nfs/dbraw/zinc/44/95/30/666449530.db2.gz SBWJNNFDAHOIOA-UHFFFAOYSA-N -2 0 369.311 0.424 20 0 FCADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)C1CCCC1 ZINC000057117748 666554318 /nfs/dbraw/zinc/55/43/18/666554318.db2.gz AFVLHSLTSTYLKG-UHFFFAOYSA-N -2 0 356.400 0.822 20 0 FCADRL N#Cc1ccc(C(=O)N[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000057820355 666559638 /nfs/dbraw/zinc/55/96/38/666559638.db2.gz MGZUULGTIFGNMD-UHFFFAOYSA-N -2 0 351.365 0.941 20 0 FCADRL CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)[O-] ZINC000731046103 666803625 /nfs/dbraw/zinc/80/36/25/666803625.db2.gz NIGPYEWAUGNKCI-ZANVPECISA-N -2 0 372.399 0.279 20 0 FCADRL N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000325413713 667024221 /nfs/dbraw/zinc/02/42/21/667024221.db2.gz FNXQGYJXPOGWQE-WCBMZHEXSA-N -2 0 356.331 0.493 20 0 FCADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000917716468 667083817 /nfs/dbraw/zinc/08/38/17/667083817.db2.gz ROWOLFNKBKVHHK-JTQLQIEISA-N -3 0 359.356 0.544 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c(Cl)cc1Cl ZINC000918064582 667099049 /nfs/dbraw/zinc/09/90/49/667099049.db2.gz GIWDNKQWNDZKHJ-SSDOTTSWSA-N -2 0 358.155 0.415 20 0 FCADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N(CCC(=O)[O-])C1CC1 ZINC000919957622 667209166 /nfs/dbraw/zinc/20/91/66/667209166.db2.gz SBWSMZJTZGGRPK-UHFFFAOYSA-N -2 0 357.384 0.950 20 0 FCADRL COc1cccc(S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1 ZINC000759464709 667806939 /nfs/dbraw/zinc/80/69/39/667806939.db2.gz TVTXQNKQGFDPKP-UHFFFAOYSA-N -2 0 368.333 0.957 20 0 FCADRL CNC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000738021711 667898698 /nfs/dbraw/zinc/89/86/98/667898698.db2.gz WSNGDACNILWHKB-UHFFFAOYSA-N -2 0 354.344 0.277 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1C ZINC000768052092 668067816 /nfs/dbraw/zinc/06/78/16/668067816.db2.gz XEQNHWNRGXUEJG-UHFFFAOYSA-N -2 0 370.362 0.576 20 0 FCADRL C[C@](CNS(=O)(=O)Cc1ccc(Cl)nc1)(CC(=O)[O-])C(=O)[O-] ZINC000776584404 668274313 /nfs/dbraw/zinc/27/43/13/668274313.db2.gz LLMMBHNAVJOAHT-GFCCVEGCSA-N -2 0 350.780 0.720 20 0 FCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1c(Cl)nc2sccn21)C(=O)[O-] ZINC000776631728 668280819 /nfs/dbraw/zinc/28/08/19/668280819.db2.gz CEKRSSSWFKGFRN-YFKPBYRVSA-N -2 0 367.792 0.503 20 0 FCADRL O=C([O-])C[C@H](CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1)C(=O)[O-] ZINC000776636171 668281391 /nfs/dbraw/zinc/28/13/91/668281391.db2.gz UOEYNJRYTISALI-SSDOTTSWSA-N -2 0 373.774 0.737 20 0 FCADRL Cn1c(Cl)ncc1S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000776719421 668290244 /nfs/dbraw/zinc/29/02/44/668290244.db2.gz VJFUDWRFEUZRHM-LLVKDONJSA-N -2 0 351.768 0.014 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC000793321891 668922868 /nfs/dbraw/zinc/92/28/68/668922868.db2.gz ZEYJHEHXXLDUMD-UHFFFAOYSA-N -2 0 353.322 0.485 20 0 FCADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C(=O)[O-])cn1 ZINC000832583360 669910930 /nfs/dbraw/zinc/91/09/30/669910930.db2.gz RZDUFCULJGLENL-MNOVXSKESA-N -2 0 365.367 0.407 20 0 FCADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000816731471 669975554 /nfs/dbraw/zinc/97/55/54/669975554.db2.gz SMVCQCSRKKUCEE-UHFFFAOYSA-N -2 0 373.416 0.309 20 0 FCADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1occc1CS(=O)(=O)c1ccccc1 ZINC000816732235 669975751 /nfs/dbraw/zinc/97/57/51/669975751.db2.gz YNQGMGNTDAOHRI-UHFFFAOYSA-N -2 0 364.339 0.640 20 0 FCADRL CC(C)n1cc(S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)cn1 ZINC000835825247 670016017 /nfs/dbraw/zinc/01/60/17/670016017.db2.gz ASRCTLYXDOQMJW-UHFFFAOYSA-N -2 0 370.353 0.726 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc(F)cn1 ZINC000851700281 671460053 /nfs/dbraw/zinc/46/00/53/671460053.db2.gz AOTOYKQQZNTLQS-SCZZXKLOSA-N -2 0 363.267 0.957 20 0 FCADRL O=C([O-])CCCCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851703445 671461817 /nfs/dbraw/zinc/46/18/17/671461817.db2.gz PDMPKFKMFZWTHN-LDYMZIIASA-N -2 0 368.308 0.754 20 0 FCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1csnn1 ZINC000852959270 671534230 /nfs/dbraw/zinc/53/42/30/671534230.db2.gz ZJHAIWGVAUVQCH-IYSWYEEDSA-N -2 0 352.294 0.274 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000863953742 672164605 /nfs/dbraw/zinc/16/46/05/672164605.db2.gz XGIALXUHADSXOL-CYBMUJFWSA-N -2 0 354.384 0.733 20 0 FCADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)O1 ZINC000863954049 672164861 /nfs/dbraw/zinc/16/48/61/672164861.db2.gz JWBZMLXDPRHUFE-OLZOCXBDSA-N -2 0 365.367 0.309 20 0 FCADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000863955286 672165614 /nfs/dbraw/zinc/16/56/14/672165614.db2.gz GXAPJBNVEKORKX-MRXNPFEDSA-N -2 0 366.395 0.278 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C(CC)(CC)C(=O)[O-])nc1 ZINC000863957797 672166841 /nfs/dbraw/zinc/16/68/41/672166841.db2.gz SSNPWXAWXCXYKL-UHFFFAOYSA-N -2 0 372.399 0.954 20 0 FCADRL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000863957936 672166846 /nfs/dbraw/zinc/16/68/46/672166846.db2.gz JMRUKJXKWKKUKM-LBPRGKRZSA-N -2 0 370.427 0.940 20 0 FCADRL COc1cc(OC)cc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)c1 ZINC000863960545 672168032 /nfs/dbraw/zinc/16/80/32/672168032.db2.gz TYLVBUIRDKPRAD-UHFFFAOYSA-N -2 0 355.368 0.930 20 0 FCADRL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000863962212 672169184 /nfs/dbraw/zinc/16/91/84/672169184.db2.gz WDRACIGSOLMNNI-VHSXEESVSA-N -2 0 351.421 0.911 20 0 FCADRL CC(C)c1nc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])nc2)cn1C ZINC000863963414 672169859 /nfs/dbraw/zinc/16/98/59/672169859.db2.gz VZSRYZCAVWOKKN-UHFFFAOYSA-N -2 0 352.372 0.755 20 0 FCADRL CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CCCC2)CC1 ZINC000863966281 672171447 /nfs/dbraw/zinc/17/14/47/672171447.db2.gz VJSQCNRWOAHITD-CYBMUJFWSA-N -2 0 360.432 0.334 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cccnc1F ZINC000902065410 675824669 /nfs/dbraw/zinc/82/46/69/675824669.db2.gz LTRQPQAOHZZFTR-BDAKNGLRSA-N -2 0 363.267 0.957 20 0 FCADRL CCc1ccccc1-n1cc([O-])c(C(=O)[N-]NC(=O)c2cnn(C)c2)n1 ZINC000084403863 1212971282 /nfs/dbraw/zinc/97/12/82/1212971282.db2.gz YMWXIPZRYJSTPD-UHFFFAOYSA-N -2 0 354.370 0.949 20 0 FCADRL COC(=O)/C=C/c1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001223033568 1225674451 /nfs/dbraw/zinc/67/44/51/1225674451.db2.gz ZBXUPZRZJZTXCS-AXGJVXDSSA-N -2 0 366.322 0.452 20 0 FCADRL CC(C)C(=O)Oc1cccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001223894923 1225744105 /nfs/dbraw/zinc/74/41/05/1225744105.db2.gz DTWUWFPJJLGUKN-OCCSQVGLSA-N -2 0 368.338 0.828 20 0 FCADRL CCN(CC)C(=O)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225319903 1225806769 /nfs/dbraw/zinc/80/67/69/1225806769.db2.gz VHLLKAHFIMLGEY-FZMZJTMJSA-N -2 0 367.354 0.610 20 0 FCADRL Cc1cc(=O)oc2cc(O)cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c12 ZINC001226487011 1225844753 /nfs/dbraw/zinc/84/47/53/1225844753.db2.gz UDIFLOJKWFCYBG-CLAHSXSESA-N -2 0 366.278 0.249 20 0 FCADRL Cc1cc(=O)oc2cc(O)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc12 ZINC001226532569 1225845912 /nfs/dbraw/zinc/84/59/12/1225845912.db2.gz TVWRJOXCZGQUKV-RTHLEPHNSA-N -3 0 366.278 0.249 20 0 FCADRL CC(=O)Nc1ccc(C(C)=O)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001227183336 1225865326 /nfs/dbraw/zinc/86/53/26/1225865326.db2.gz QLNBYAWKVJDNQK-BXUZGUMPSA-N -2 0 367.310 0.289 20 0 FCADRL COc1ccc2c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(=O)oc2c1 ZINC001227526796 1225878427 /nfs/dbraw/zinc/87/84/27/1225878427.db2.gz IBMRAGJCAPNZMQ-YMTOWFKASA-N -2 0 366.278 0.243 20 0 FCADRL CCCc1c(O)ccc(C(C)=O)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228136376 1225896551 /nfs/dbraw/zinc/89/65/51/1225896551.db2.gz NSSJHZMSPYJQTP-BXUZGUMPSA-N -2 0 368.338 0.989 20 0 FCADRL C[C@@H](CCCCNC(=O)c1cc(=O)n(C)[n-]1)NC(=O)c1cc(=O)n(C)[n-]1 ZINC001118709088 1221822404 /nfs/dbraw/zinc/82/24/04/1221822404.db2.gz YIVNECRBXGCKJH-JTQLQIEISA-N -2 0 364.406 0.283 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cccc(-c2cccc(=O)[nH]2)n1)[C@H](O)C(=O)[O-] ZINC001230632081 1226084796 /nfs/dbraw/zinc/08/47/96/1226084796.db2.gz APHABNGALBKYHI-CLAHSXSESA-N -2 0 362.294 0.291 20 0 FCADRL CC(=O)Nc1cccc(C(C)=O)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001230927233 1226092022 /nfs/dbraw/zinc/09/20/22/1226092022.db2.gz JCLHSEHYAIHAKR-GXFFZTMASA-N -2 0 367.310 0.289 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cccnc1-c1ncccc1O)[C@H](O)C(=O)[O-] ZINC001231204928 1226102186 /nfs/dbraw/zinc/10/21/86/1226102186.db2.gz VKMAXJUOHVSULX-CLAHSXSESA-N -2 0 362.294 0.291 20 0 FCADRL COc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc2oc(=O)ccc12 ZINC001234769671 1259564959 /nfs/dbraw/zinc/56/49/59/1259564959.db2.gz KNFLGAMBDPPURJ-LKFCYVNXSA-N -2 0 366.278 0.243 20 0 FCADRL COc1nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc(N2CCOCC2)n1 ZINC001242161390 1259634110 /nfs/dbraw/zinc/63/41/10/1259634110.db2.gz YTHCFAWBIIMBIC-UHFFFAOYSA-N -2 0 360.326 0.780 20 0 FCADRL C[C@@H]1COC2(CCC2)CN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001576377228 1273204921 /nfs/dbraw/zinc/20/49/21/1273204921.db2.gz XZCSDMBIBCCWRS-SNVBAGLBSA-N -2 0 356.390 0.758 20 0 FCADRL Cc1cc(C(=O)N(C)CCOCc2cn[nH]n2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001577260053 1274286588 /nfs/dbraw/zinc/28/65/88/1274286588.db2.gz MXLAGNNQYZDGEC-UHFFFAOYSA-N -2 0 359.346 0.151 20 0 FCADRL CCN(c1ccnc(-c2nnn[n-]2)n1)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001578194911 1275485566 /nfs/dbraw/zinc/48/55/66/1275485566.db2.gz PQJWLUPEEGJBEH-MRVPVSSYSA-N -2 0 372.393 0.039 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(Cn2ccnn2)c1 ZINC001603188562 1287324894 /nfs/dbraw/zinc/32/48/94/1287324894.db2.gz OFWBEKYVZGQNQW-MNOVXSKESA-N -2 0 366.399 0.495 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CNC(=O)Cc1cccc(F)c1 ZINC001603187869 1287325143 /nfs/dbraw/zinc/32/51/43/1287325143.db2.gz KANUFTCFHAALRN-UWVGGRQHSA-N -2 0 374.390 0.040 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cnnn1-c1cccc(F)c1 ZINC001603187668 1287325186 /nfs/dbraw/zinc/32/51/86/1287325186.db2.gz IRWAYDHIYBAUDJ-IUCAKERBSA-N -2 0 370.362 0.575 20 0 FCADRL CC(C)(C)OC(=O)N[C@@H](CC(=O)[N-]S(=O)(=O)CC(=O)[O-])C1CC1 ZINC001603437816 1287372205 /nfs/dbraw/zinc/37/22/05/1287372205.db2.gz LMQDTSMTQGZLCD-VIFPVBQESA-N -2 0 350.393 0.210 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)CSC[C@@H]1CCCCO1)C(=O)[O-] ZINC001603661105 1287461160 /nfs/dbraw/zinc/46/11/60/1287461160.db2.gz WXDAZMQTHJTQEL-JTQLQIEISA-N -2 0 353.462 0.846 20 0 FCADRL CC(C)CN1C[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1=O ZINC001603815219 1287506750 /nfs/dbraw/zinc/50/67/50/1287506750.db2.gz SSIBWKIVAKCVJV-SECBINFHSA-N -2 0 358.372 0.287 20 0 FCADRL C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)C[C@@H]1CC(=O)[O-] ZINC001603913417 1287530191 /nfs/dbraw/zinc/53/01/91/1287530191.db2.gz WVGCVEQNKWOXLJ-BDAKNGLRSA-N -2 0 355.376 0.581 20 0 FCADRL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001589270104 1282825359 /nfs/dbraw/zinc/82/53/59/1282825359.db2.gz XUUPKSIEKKEBTN-UHFFFAOYSA-N -2 0 361.330 0.677 20 0 FCADRL C[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001590334197 1283477772 /nfs/dbraw/zinc/47/77/72/1283477772.db2.gz AGEDDQPGKJCGTO-RITPCOANSA-N -2 0 361.430 0.465 20 0 FCADRL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CCc2ocnc2C(=O)[O-])C1 ZINC001604589315 1287674891 /nfs/dbraw/zinc/67/48/91/1287674891.db2.gz MKITZHLKBJHLSH-CYBMUJFWSA-N -2 0 363.292 0.975 20 0 FCADRL COCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 ZINC001591407237 1284548137 /nfs/dbraw/zinc/54/81/37/1284548137.db2.gz ICFKWSCQSYRBOK-VIFPVBQESA-N -2 0 371.394 0.873 20 0 FCADRL COc1nn(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1OC ZINC001591507207 1284693956 /nfs/dbraw/zinc/69/39/56/1284693956.db2.gz WPPCIINHHVNGGB-UHFFFAOYSA-N -2 0 365.375 0.418 20 0 FCADRL Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CC2(C)CC1(C(=O)[O-])C2 ZINC001591870481 1284956213 /nfs/dbraw/zinc/95/62/13/1284956213.db2.gz MSVKSAMUNXBLDQ-UHFFFAOYSA-N -2 0 363.399 0.803 20 0 FCADRL Cc1cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)ncc1-c1nn[nH]n1 ZINC001591913546 1285004058 /nfs/dbraw/zinc/00/40/58/1285004058.db2.gz OCBLQTBYBDUKLS-VIFPVBQESA-N -2 0 355.362 0.414 20 0 FCADRL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)c(F)c1 ZINC001592736176 1285650338 /nfs/dbraw/zinc/65/03/38/1285650338.db2.gz YFHURSPGHOGYQU-UHFFFAOYSA-N -2 0 352.307 0.499 20 0 FCADRL O=C(CCCn1cccn1)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001592841790 1285748713 /nfs/dbraw/zinc/74/87/13/1285748713.db2.gz AEJPYWSTOADOEV-UHFFFAOYSA-N -2 0 369.345 0.335 20 0 FCADRL O=C([O-])[C@@H]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)o3)[C@@H]2C1 ZINC001593274614 1286058755 /nfs/dbraw/zinc/05/87/55/1286058755.db2.gz PAADVEOANRNCGU-OPRDCNLKSA-N -2 0 367.387 0.724 20 0 FCADRL O=C1C[C@@H](c2cccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)o3)c2)CN1 ZINC001593384120 1286103845 /nfs/dbraw/zinc/10/38/45/1286103845.db2.gz KVTIAUJUUMCTAW-SNVBAGLBSA-N -2 0 374.382 0.864 20 0 FCADRL O=C1CCN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C2(CCC2)C1 ZINC001593394875 1286115564 /nfs/dbraw/zinc/11/55/64/1286115564.db2.gz BEZPYKJRTXQLMB-UHFFFAOYSA-N -2 0 354.374 0.703 20 0 FCADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001599019332 1286413038 /nfs/dbraw/zinc/41/30/38/1286413038.db2.gz JOWZGMMVQUFRHT-ZCFIWIBFSA-N -2 0 363.369 0.471 20 0 FCADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)NCCSCC(=O)[O-] ZINC001600020468 1286425195 /nfs/dbraw/zinc/42/51/95/1286425195.db2.gz NYNFHVGGXJOOBF-UHFFFAOYSA-N -2 0 351.377 0.928 20 0 FCADRL Cc1c(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])ccc(Br)c1C(=O)[O-] ZINC001600029937 1286431714 /nfs/dbraw/zinc/43/17/14/1286431714.db2.gz VRUKBALLPLIGCH-LURJTMIESA-N -2 0 373.159 0.984 20 0 FCADRL Cc1cc(C(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001600080342 1286437644 /nfs/dbraw/zinc/43/76/44/1286437644.db2.gz FIFKNCXKZHPLAE-SSDOTTSWSA-N -2 0 354.269 0.679 20 0 FCADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001600124006 1286444642 /nfs/dbraw/zinc/44/46/42/1286444642.db2.gz BJGBMRZKZBDSJX-UHFFFAOYSA-N -2 0 356.400 0.474 20 0 FCADRL Cc1cc([C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C(=O)[O-])ccc1F ZINC001600148446 1286448092 /nfs/dbraw/zinc/44/80/92/1286448092.db2.gz BENJAHKOVTZDQI-CYBMUJFWSA-N -2 0 359.317 0.461 20 0 FCADRL Cc1cc(C)cc([C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C(=O)[O-])c1 ZINC001600170198 1286450299 /nfs/dbraw/zinc/45/02/99/1286450299.db2.gz QKHGKZGGSOFXHX-AWEZNQCLSA-N -2 0 355.354 0.630 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCC(CC(=O)[O-])CC3)cc2=O)n1 ZINC001600181864 1286451523 /nfs/dbraw/zinc/45/15/23/1286451523.db2.gz OGPLVCWPGXNYNX-UHFFFAOYSA-N -2 0 359.386 0.899 20 0 FCADRL Cc1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@]3(CCOC3)C2)oc1C(=O)[O-] ZINC001600293812 1286469987 /nfs/dbraw/zinc/46/99/87/1286469987.db2.gz VBFWLVYZNHWWOF-LKFCYVNXSA-N -2 0 359.356 0.398 20 0 FCADRL Cc1cc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001600295632 1286471185 /nfs/dbraw/zinc/47/11/85/1286471185.db2.gz MCMFPWXJAJSKFO-OAHLLOKOSA-N -3 0 371.367 0.633 20 0 FCADRL Cc1ccc(-n2cnnn2)cc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001600323633 1286477233 /nfs/dbraw/zinc/47/72/33/1286477233.db2.gz XWOFRUBDCIISGG-UHFFFAOYSA-N -2 0 360.355 0.865 20 0 FCADRL Cc1cccc(CN(CC(=O)[O-])S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC001600531375 1286503170 /nfs/dbraw/zinc/50/31/70/1286503170.db2.gz RQLQMYJZDLNZBU-UHFFFAOYSA-N -2 0 367.383 0.552 20 0 FCADRL Cc1cccc2c(=O)n(CCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cnc12 ZINC001600552903 1286506830 /nfs/dbraw/zinc/50/68/30/1286506830.db2.gz UDZBRUJYFVBMBE-SNVBAGLBSA-N -2 0 367.383 0.014 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccn2)c1C(=O)[O-] ZINC001600674365 1286526335 /nfs/dbraw/zinc/52/63/35/1286526335.db2.gz LIMGVBUXNPHRDW-UHFFFAOYSA-N -2 0 353.360 0.314 20 0 FCADRL Cc1nc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])nn1-c1ccccc1 ZINC001600684843 1286527495 /nfs/dbraw/zinc/52/74/95/1286527495.db2.gz AKODRPUAXRSZMM-UWVGGRQHSA-N -2 0 366.399 0.745 20 0 FCADRL Cc1ncsc1CCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])n1C ZINC001600759660 1286540526 /nfs/dbraw/zinc/54/05/26/1286540526.db2.gz IOBGDVHZGABACR-UHFFFAOYSA-N -2 0 357.413 0.791 20 0 FCADRL Cc1oc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])cc1S(C)(=O)=O ZINC001600823231 1286552441 /nfs/dbraw/zinc/55/24/41/1286552441.db2.gz IZVUJVOBKUZNOO-XPUUQOCRSA-N -2 0 367.401 0.160 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC001600835905 1286553083 /nfs/dbraw/zinc/55/30/83/1286553083.db2.gz DRVJROIWSVYYCR-SNVBAGLBSA-N -2 0 361.372 0.834 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)Cc1nc(C2CC2)nn1C ZINC001600834588 1286553276 /nfs/dbraw/zinc/55/32/76/1286553276.db2.gz WWGLEJWLIVIAKH-UHFFFAOYSA-N -2 0 368.371 0.340 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CC1CCOCC1)C(=O)[O-] ZINC001600835904 1286553345 /nfs/dbraw/zinc/55/33/45/1286553345.db2.gz DRVJROIWSVYYCR-JTQLQIEISA-N -2 0 361.372 0.834 20 0 FCADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ncn(CC(=O)N(C)C)n2)c1C(=O)[O-] ZINC001600838044 1286554197 /nfs/dbraw/zinc/55/41/97/1286554197.db2.gz AKIRNWMSVQLRFN-UHFFFAOYSA-N -2 0 371.375 0.075 20 0 FCADRL Cc1oc(CN(C)C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600841454 1286554998 /nfs/dbraw/zinc/55/49/98/1286554998.db2.gz YTDRRKDNWBGBJC-TVQRCGJNSA-N -2 0 366.370 0.814 20 0 FCADRL Cn1c(C(=O)[O-])ccc1C(=O)[N-]S(=O)(=O)CCOc1ccccc1 ZINC001600904531 1286566307 /nfs/dbraw/zinc/56/63/07/1286566307.db2.gz ZWHXLZCOGOOMNS-UHFFFAOYSA-N -2 0 352.368 0.862 20 0 FCADRL Cn1cc(C(N)=O)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC001600940053 1286574955 /nfs/dbraw/zinc/57/49/55/1286574955.db2.gz SYAXIMRJRRNEDD-UHFFFAOYSA-N -2 0 358.763 0.671 20 0 FCADRL Cn1cc([C@@H](NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])C(=O)[O-])cn1 ZINC001600940497 1286574998 /nfs/dbraw/zinc/57/49/98/1286574998.db2.gz MVNRNZPBJUQPNS-LLVKDONJSA-N -2 0 373.774 0.876 20 0 FCADRL Cn1cc(S(=O)(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)cc1C(=O)[O-] ZINC001600966759 1286583507 /nfs/dbraw/zinc/58/35/07/1286583507.db2.gz CKCSDLDDHRQKCH-UHFFFAOYSA-N -2 0 371.371 0.108 20 0 FCADRL Cn1ccnc1-c1csc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])n1 ZINC001600980544 1286587644 /nfs/dbraw/zinc/58/76/44/1286587644.db2.gz GAKSEEDKTRFFBE-UHFFFAOYSA-N -2 0 353.360 0.395 20 0 FCADRL Cn1nc(C(=O)[O-])cc1NC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001601003815 1286595497 /nfs/dbraw/zinc/59/54/97/1286595497.db2.gz XKTBCDWTAXKIKJ-GFCCVEGCSA-N -2 0 363.296 0.793 20 0 FCADRL NC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC001601154495 1286662115 /nfs/dbraw/zinc/66/21/15/1286662115.db2.gz KMEOZJLCFOMOMQ-ZETCQYMHSA-N -2 0 361.401 0.042 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001601199867 1286696172 /nfs/dbraw/zinc/69/61/72/1286696172.db2.gz LRCBAPCHRQFDGW-ZDUSSCGKSA-N -2 0 364.379 0.638 20 0 FCADRL O=C([O-])[C@]12C[C@H]1CCCN2C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001601327616 1286729248 /nfs/dbraw/zinc/72/92/48/1286729248.db2.gz REUITIYNLNCXAM-PSLIRLAXSA-N -2 0 374.365 0.709 20 0 FCADRL O=C([O-])c1cnc(S(=O)(=O)CC(=O)NC[C@@H]2Cc3ccccc3O2)[n-]1 ZINC001601346743 1286733004 /nfs/dbraw/zinc/73/30/04/1286733004.db2.gz AZZSHISOLXCIMI-JTQLQIEISA-N -2 0 365.367 0.002 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)Cn1cc(C2CC2)cn1 ZINC001601383421 1286737583 /nfs/dbraw/zinc/73/75/83/1286737583.db2.gz GYKVWLJWINFLME-UHFFFAOYSA-N -2 0 356.385 0.420 20 0 FCADRL O=C([O-])c1ccc(CNC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)s1 ZINC001601536060 1286781095 /nfs/dbraw/zinc/78/10/95/1286781095.db2.gz DKJORMFZPSJRFL-UHFFFAOYSA-N -2 0 360.351 0.956 20 0 FCADRL O=C([O-])[C@]1(N2CCN(S(=O)(=O)c3cc([O-])cc(F)c3)CC2)CCOC1 ZINC001601720436 1286815175 /nfs/dbraw/zinc/81/51/75/1286815175.db2.gz STZRTMXHHMQEFI-HNNXBMFYSA-N -2 0 374.390 0.081 20 0 FCADRL O=C([O-])[C@H]1N(S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CC12CCOCC2 ZINC001601811559 1286840175 /nfs/dbraw/zinc/84/01/75/1286840175.db2.gz YHFAMUXQBMKDPF-IJLUTSLNSA-N -2 0 361.416 0.525 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1F ZINC001601908419 1286866242 /nfs/dbraw/zinc/86/62/42/1286866242.db2.gz FWGNGOGURCSBHL-CYBMUJFWSA-N -2 0 374.390 0.973 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC001601915267 1286870096 /nfs/dbraw/zinc/87/00/96/1286870096.db2.gz RQOHJFGGYVZOLD-GFCCVEGCSA-N -3 0 363.369 0.386 20 0 FCADRL O=C([O-])CCCS(=O)(=O)N[C@@H](CN1CCCc2ccccc21)C(=O)[O-] ZINC001601999283 1286892802 /nfs/dbraw/zinc/89/28/02/1286892802.db2.gz PVHKRNGBMCUHSV-ZDUSSCGKSA-N -2 0 370.427 0.677 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC001601999242 1286893618 /nfs/dbraw/zinc/89/36/18/1286893618.db2.gz NFTUXAFDWAKKBQ-LLVKDONJSA-N -2 0 358.372 0.174 20 0 FCADRL O=C([O-])CCN(CCO)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001602006686 1286895233 /nfs/dbraw/zinc/89/52/33/1286895233.db2.gz YZPZBTKGJDPRQP-UHFFFAOYSA-N -2 0 351.764 0.496 20 0 FCADRL O=C([O-])CCNC(=O)c1ccc(NC(=O)C(=O)[N-]OC/C=C\Cl)cc1 ZINC001602023223 1286906522 /nfs/dbraw/zinc/90/65/22/1286906522.db2.gz GUCHMAITEMNZDL-XFSBKJJWSA-N -2 0 369.761 0.630 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)COc1ccc2ccc(=O)oc2c1 ZINC001602028667 1286908724 /nfs/dbraw/zinc/90/87/24/1286908724.db2.gz XMGXICLSQBZWKZ-UHFFFAOYSA-N -2 0 355.324 0.093 20 0 FCADRL O=C([O-])CN(Cc1ccccn1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001602060283 1286916024 /nfs/dbraw/zinc/91/60/24/1286916024.db2.gz GFAZXZBGYBBWEO-UHFFFAOYSA-N -2 0 357.388 0.010 20 0 FCADRL O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)c1cccc(Br)c1[O-] ZINC001602065189 1286919951 /nfs/dbraw/zinc/91/99/51/1286919951.db2.gz FGMMEHXHZGYXRH-JTQLQIEISA-N -2 0 371.187 0.960 20 0 FCADRL O=C([O-])CNC(=O)[C@@H]1CCCN1Cc1ncc(Br)cc1[O-] ZINC001602068649 1286923486 /nfs/dbraw/zinc/92/34/86/1286923486.db2.gz SSQQZJJPKOSMIV-JTQLQIEISA-N -2 0 358.192 0.715 20 0 FCADRL O=C([O-])Cc1ccccc1NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001602149337 1286947726 /nfs/dbraw/zinc/94/77/26/1286947726.db2.gz YADJGFOGTXHGGY-UHFFFAOYSA-N -2 0 364.354 0.250 20 0 FCADRL O=C([O-])[C@@H]1[C@H](C[N-]S(=O)(=O)c2nc[nH]c2Br)C1(F)F ZINC001602206384 1286968316 /nfs/dbraw/zinc/96/83/16/1286968316.db2.gz KEYQYJGPWKONMM-IMJSIDKUSA-N -2 0 360.136 0.416 20 0 FCADRL O=C([O-])c1cc(C(=O)[N-]S(=O)(=O)c2cnccn2)n(-c2ccccc2)n1 ZINC001602246766 1286975151 /nfs/dbraw/zinc/97/51/51/1286975151.db2.gz BATKCCNVSTZAHF-UHFFFAOYSA-N -2 0 373.350 0.479 20 0 FCADRL O=C([O-])c1cc(F)cc(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)c1 ZINC001602272066 1286978830 /nfs/dbraw/zinc/97/88/30/1286978830.db2.gz JIRWANLLIMWYHR-PRHODGIISA-N -2 0 361.347 0.370 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3)C2=O)on1 ZINC001602292977 1286983298 /nfs/dbraw/zinc/98/32/98/1286983298.db2.gz CYFRKAWLXCYOKA-JTQLQIEISA-N -2 0 351.340 0.457 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CCc3onc(C(=O)[O-])c3C2)cs1 ZINC001602292357 1286983931 /nfs/dbraw/zinc/98/39/31/1286983931.db2.gz IHAMRRHAMJWIOR-UHFFFAOYSA-N -2 0 358.353 0.880 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@]2(CO)CCc3ccccc32)on1 ZINC001602294685 1286984453 /nfs/dbraw/zinc/98/44/53/1286984453.db2.gz XAMNTSKJHYVAMP-HNNXBMFYSA-N -2 0 352.368 0.528 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)cc(F)c1F ZINC001602294087 1286984508 /nfs/dbraw/zinc/98/45/08/1286984508.db2.gz UTXCATDZJQPUTG-GFCCVEGCSA-N -2 0 351.283 0.185 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)c2cn3c(n2)COCC3)cc1 ZINC001602355363 1286991103 /nfs/dbraw/zinc/99/11/03/1286991103.db2.gz YTSCTODCQOFAIV-UHFFFAOYSA-N -2 0 365.367 0.371 20 0 FCADRL O=C([O-])c1cn(C2CCN(C(=O)NC[C@H](C(=O)[O-])C3CCC3)CC2)nn1 ZINC001602495332 1287013931 /nfs/dbraw/zinc/01/39/31/1287013931.db2.gz BRUNCAWVYGBFDL-LBPRGKRZSA-N -2 0 365.390 0.824 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]C(=O)[C@H]2CCC(=O)c3cccn32)c1 ZINC001602557518 1287025464 /nfs/dbraw/zinc/02/54/64/1287025464.db2.gz YOWBLWQUZDMCLF-SNVBAGLBSA-N -2 0 352.324 0.802 20 0 FCADRL O=C([O-])[C@@]1(O)CCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])C1 ZINC001602629987 1287039726 /nfs/dbraw/zinc/03/97/26/1287039726.db2.gz XQAMLQQEMXFHRQ-OAHLLOKOSA-N -2 0 353.281 0.518 20 0 FCADRL C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001602796201 1287120800 /nfs/dbraw/zinc/12/08/00/1287120800.db2.gz HMLGDNXKVGESHZ-UWVGGRQHSA-N -2 0 352.368 0.421 20 0 FCADRL CCOC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001605552199 1287998260 /nfs/dbraw/zinc/99/82/60/1287998260.db2.gz VHFDHSUWGJQPKV-JTQLQIEISA-N -2 0 364.420 0.412 20 0 FCADRL CCO[C@H]1C[C@@](NS(=O)(=O)CC2(C(=O)[O-])CCC2)(C(=O)[O-])C1(C)C ZINC001605606558 1288031314 /nfs/dbraw/zinc/03/13/14/1288031314.db2.gz VEMWCWLFCLOLCK-ZUZCIYMTSA-N -2 0 363.432 0.819 20 0 FCADRL CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])n1 ZINC001606004318 1288128166 /nfs/dbraw/zinc/12/81/66/1288128166.db2.gz LPYTXQOOBIZMSR-UHFFFAOYSA-N -2 0 352.372 0.470 20 0 FCADRL CN(CCC(=O)[O-])C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001606104999 1288167709 /nfs/dbraw/zinc/16/77/09/1288167709.db2.gz XUVYWYNKPSJVGM-UHFFFAOYSA-N -2 0 360.269 0.858 20 0 FCADRL Cn1ncc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc2c1CCN(C)C2 ZINC001606251441 1288237127 /nfs/dbraw/zinc/23/71/27/1288237127.db2.gz RYLDVBZNWJBMLQ-UHFFFAOYSA-N -2 0 350.400 0.907 20 0 FCADRL CN=[S@](C)(=O)c1cccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])c1 ZINC001606259184 1288239182 /nfs/dbraw/zinc/23/91/82/1288239182.db2.gz BHNBLHARSAQMMY-JOCHJYFZSA-N -2 0 358.401 0.995 20 0 FCADRL COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC001606325798 1288262882 /nfs/dbraw/zinc/26/28/82/1288262882.db2.gz POZXHJPTCFPQPD-SSDOTTSWSA-N -2 0 371.289 0.706 20 0 FCADRL COC(=O)C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)C(=O)[O-] ZINC001606443059 1288321023 /nfs/dbraw/zinc/32/10/23/1288321023.db2.gz HPPYQQCTWRZPTF-QMMMGPOBSA-N -2 0 365.747 0.333 20 0 FCADRL O=C(/C=C\[C@@H]1CCOC1)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001606480757 1288339559 /nfs/dbraw/zinc/33/95/59/1288339559.db2.gz RPKBBBVZAKVJLC-JKERVTFKSA-N -2 0 357.330 0.251 20 0 FCADRL COC(=O)c1c[nH]c(C(=O)[O-])c1[N-]S(=O)(=O)c1cnc(Cl)n1C ZINC001606532857 1288367570 /nfs/dbraw/zinc/36/75/70/1288367570.db2.gz VCGUNCJGFGBJKY-UHFFFAOYSA-N -2 0 362.751 0.687 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2N)cn1C ZINC001606570973 1288390886 /nfs/dbraw/zinc/39/08/86/1288390886.db2.gz VCXQUFHEPXWQOY-UHFFFAOYSA-N -2 0 353.356 0.893 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nn2)ccc1F ZINC001606570488 1288391283 /nfs/dbraw/zinc/39/12/83/1288391283.db2.gz NIEDGHFWEIHIGU-UHFFFAOYSA-N -2 0 355.303 0.901 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2cn(C)nc2OC)c1 ZINC001606580996 1288394812 /nfs/dbraw/zinc/39/48/12/1288394812.db2.gz NTPGFAPOIBUUNR-UHFFFAOYSA-N -2 0 369.355 0.714 20 0 FCADRL COC(=O)c1ccc(CC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC001606586792 1288397555 /nfs/dbraw/zinc/39/75/55/1288397555.db2.gz NMPQEGRANBHMBM-NXEZZACHSA-N -2 0 357.384 0.571 20 0 FCADRL COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001606589579 1288399212 /nfs/dbraw/zinc/39/92/12/1288399212.db2.gz APWKMKOXAJTBKA-QWHCGFSZSA-N -2 0 369.395 0.920 20 0 FCADRL CO[C@@H](C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(=O)[O-])C1CC1 ZINC001606667845 1288430351 /nfs/dbraw/zinc/43/03/51/1288430351.db2.gz CPPGZUABSYSAFP-MNOVXSKESA-N -2 0 361.372 0.833 20 0 FCADRL COC[C@@](C)([N-]S(=O)(=O)c1nc(C)c(Br)s1)C(=O)[O-] ZINC001606791455 1288521045 /nfs/dbraw/zinc/52/10/45/1288521045.db2.gz ACVMXPHKRNHMOG-SECBINFHSA-N -2 0 373.250 0.982 20 0 FCADRL COCCOc1ccccc1C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001606917850 1288562696 /nfs/dbraw/zinc/56/26/96/1288562696.db2.gz XTQWNPOBIXRBQK-UHFFFAOYSA-N -2 0 359.400 0.882 20 0 FCADRL O=C([O-])[C@H](CNS(=O)(=O)c1cccnc1-c1nnn[n-]1)C1CCC1 ZINC001606960716 1288576382 /nfs/dbraw/zinc/57/63/82/1288576382.db2.gz TVMPGBNPGLCDCJ-SECBINFHSA-N -2 0 352.376 0.041 20 0 FCADRL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-]N2CCCC2=O)c1OC ZINC001607152717 1288673688 /nfs/dbraw/zinc/67/36/88/1288673688.db2.gz GVPPCUFOUZMBPH-WAYWQWQTSA-N -2 0 370.383 0.617 20 0 FCADRL COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)c1cc(=O)[nH][n-]1)CC2 ZINC001607193721 1288683296 /nfs/dbraw/zinc/68/32/96/1288683296.db2.gz UQVZCVKXFZVVRF-GFCCVEGCSA-N -2 0 361.354 0.480 20 0 FCADRL COc1ccc(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1C(=O)[O-] ZINC001607277289 1288692219 /nfs/dbraw/zinc/69/22/19/1288692219.db2.gz IMSDTCXOXPJJSH-UHFFFAOYSA-N -2 0 358.372 0.847 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])nnn1-c1ccc(F)c(F)c1 ZINC001607508342 1288721693 /nfs/dbraw/zinc/72/16/93/1288721693.db2.gz FLNJFSLQKRUZRD-SSDOTTSWSA-N -2 0 374.325 0.387 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N[C@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC001607519280 1288723978 /nfs/dbraw/zinc/72/39/78/1288723978.db2.gz DMIAROQKHDWDMN-CMPLNLGQSA-N -2 0 357.384 0.851 20 0 FCADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C ZINC001607532827 1288724351 /nfs/dbraw/zinc/72/43/51/1288724351.db2.gz QNEAVTIASICNRE-LBPRGKRZSA-N -2 0 371.346 0.670 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])ccc1-n1cncn1 ZINC001607579728 1288727546 /nfs/dbraw/zinc/72/75/46/1288727546.db2.gz DRIIIJZWAAILCC-WDEREUQCSA-N -2 0 366.399 0.745 20 0 FCADRL Cc1c([C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)C(=O)[O-])cnn1C ZINC001607598946 1288729428 /nfs/dbraw/zinc/72/94/28/1288729428.db2.gz KVBYMSWTRMFESL-ZDUSSCGKSA-N -2 0 367.383 0.839 20 0 FCADRL Cc1cc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])ccc1N1CCOCC1 ZINC001607673684 1288733293 /nfs/dbraw/zinc/73/32/93/1288733293.db2.gz JGSSBYUSERGWIW-UHFFFAOYSA-N -2 0 365.386 0.683 20 0 FCADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001607997945 1288757011 /nfs/dbraw/zinc/75/70/11/1288757011.db2.gz IGRCPLFLJZRGTJ-UHFFFAOYSA-N -2 0 351.384 0.783 20 0 FCADRL Cn1nnc2c1C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)CC2 ZINC001608168529 1288786097 /nfs/dbraw/zinc/78/60/97/1288786097.db2.gz YANVSKGJCRMEGT-ZETCQYMHSA-N -2 0 370.412 0.185 20 0 FCADRL Cn1nnc2ccc(C(=O)[N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)cc21 ZINC001608167425 1288786278 /nfs/dbraw/zinc/78/62/78/1288786278.db2.gz FFSVCZYPTHLQOR-UHFFFAOYSA-N -2 0 366.380 0.847 20 0 FCADRL NC(=O)[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC001608233033 1288796554 /nfs/dbraw/zinc/79/65/54/1288796554.db2.gz SSPYEXVUTSWVOK-YUMQZZPRSA-N -2 0 360.413 0.543 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c1 ZINC001608263053 1288808205 /nfs/dbraw/zinc/80/82/05/1288808205.db2.gz WEESLRINAUDJPQ-VFZGTOFNSA-N -2 0 354.384 0.367 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)CCn1cc(Cl)cn1 ZINC001608324144 1288818722 /nfs/dbraw/zinc/81/87/22/1288818722.db2.gz RMGHONNWEOZHNL-UHFFFAOYSA-N -2 0 364.792 0.586 20 0 FCADRL O=C([O-])c1c(Cl)cccc1S(=O)(=O)[N-]C(=O)CO[C@@H]1CCOC1 ZINC001608348215 1288827636 /nfs/dbraw/zinc/82/76/36/1288827636.db2.gz YEDGZWFEUQQWCA-MRVPVSSYSA-N -2 0 363.775 0.649 20 0 FCADRL O=C([O-])[C@]1(O)CCN(S(=O)(=O)c2c([O-])cccc2OC(F)(F)F)C1 ZINC001608578621 1288856187 /nfs/dbraw/zinc/85/61/87/1288856187.db2.gz IFVZFDCPNAWYTF-NSHDSACASA-N -2 0 371.289 0.501 20 0 FCADRL O=C([O-])CN(CCO)S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001608745745 1288872646 /nfs/dbraw/zinc/87/26/46/1288872646.db2.gz KYTKWIAICXEDAW-UHFFFAOYSA-N -2 0 354.340 0.001 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N[C@@H](Cn2cc(Cl)cn2)C(=O)[O-])cc1 ZINC001608910724 1288878586 /nfs/dbraw/zinc/87/85/86/1288878586.db2.gz IILJNYIMQQNEKW-NSHDSACASA-N -2 0 373.774 0.666 20 0 FCADRL O=C([O-])C(F)=C(Nc1cccc2cccnc21)c1c([O-])[nH]c(=S)[nH]c1=O ZINC001609044413 1288886446 /nfs/dbraw/zinc/88/64/46/1288886446.db2.gz VFACQLQRRIJLEX-JTQLQIEISA-N -2 0 374.353 0.854 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1)c1ccccn1 ZINC001609571731 1289235297 /nfs/dbraw/zinc/23/52/97/1289235297.db2.gz RLJAMLYFQYIETO-VIFPVBQESA-N -2 0 364.343 0.349 20 0 FCADRL CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)C1 ZINC001609591260 1289249220 /nfs/dbraw/zinc/24/92/20/1289249220.db2.gz PFECDKXEWNCKBG-AWEZNQCLSA-N -2 0 358.372 0.350 20 0 FCADRL CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001609621629 1289265720 /nfs/dbraw/zinc/26/57/20/1289265720.db2.gz SFYVVNUKDWRCMD-ZETCQYMHSA-N -2 0 364.401 0.046 20 0 FCADRL CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001609621632 1289266085 /nfs/dbraw/zinc/26/60/85/1289266085.db2.gz SKBHIOZYVKTWPD-JTQLQIEISA-N -2 0 372.399 0.293 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C[S@@](C)=O)c1 ZINC001609638210 1289269798 /nfs/dbraw/zinc/26/97/98/1289269798.db2.gz BXEICJVFFYPTEV-SQQOMWROSA-N -2 0 361.441 0.734 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCc1ccccc1C(N)=O ZINC001609638151 1289269932 /nfs/dbraw/zinc/26/99/32/1289269932.db2.gz BDYOWGRSSXATOH-ZJUUUORDSA-N -2 0 356.400 0.273 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)C1CCN(CC(F)(F)F)CC1 ZINC001609638793 1289270630 /nfs/dbraw/zinc/27/06/30/1289270630.db2.gz LNFQMWBKPKKHJX-DTWKUNHWSA-N -2 0 374.381 0.816 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1cccc2c1OCO2 ZINC001609638702 1289270640 /nfs/dbraw/zinc/27/06/40/1289270640.db2.gz JSYQJSWBRPJKBT-VHSXEESVSA-N -2 0 357.384 0.903 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(Cc2ccccc2)nn1 ZINC001609639114 1289270803 /nfs/dbraw/zinc/27/08/03/1289270803.db2.gz RERTVRNQBWPXKD-QWRGUYRKSA-N -2 0 366.399 0.495 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(Cc2ccccc2)nn1 ZINC001609639113 1289270837 /nfs/dbraw/zinc/27/08/37/1289270837.db2.gz RERTVRNQBWPXKD-MNOVXSKESA-N -2 0 366.399 0.495 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)c1 ZINC001609639290 1289270954 /nfs/dbraw/zinc/27/09/54/1289270954.db2.gz UXDCAUQVQDXXQI-RYUDHWBXSA-N -2 0 365.411 0.970 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(F)cc1 ZINC001609638958 1289271014 /nfs/dbraw/zinc/27/10/14/1289271014.db2.gz OSEGZDUOCKLYPT-NXEZZACHSA-N -2 0 374.390 0.501 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cn(Cc2ccccc2)nn1 ZINC001609639112 1289271067 /nfs/dbraw/zinc/27/10/67/1289271067.db2.gz RERTVRNQBWPXKD-GHMZBOCLSA-N -2 0 366.399 0.495 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CN(C)C(=O)OCc1ccccc1 ZINC001609642388 1289271279 /nfs/dbraw/zinc/27/12/79/1289271279.db2.gz POMOZAPHOJUGIK-SNVBAGLBSA-N -2 0 358.372 0.174 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC001609642225 1289271393 /nfs/dbraw/zinc/27/13/93/1289271393.db2.gz JNVSWYUXNNBWCV-MRVPVSSYSA-N -2 0 353.356 0.187 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC001609642697 1289271600 /nfs/dbraw/zinc/27/16/00/1289271600.db2.gz BBLXMSWYYPWFMJ-ZCFIWIBFSA-N -2 0 369.804 0.276 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(N2CCCCCC2)nc1 ZINC001609642662 1289271644 /nfs/dbraw/zinc/27/16/44/1289271644.db2.gz AFEKEEZYKQLKSS-LLVKDONJSA-N -2 0 355.416 0.995 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC001609643881 1289271933 /nfs/dbraw/zinc/27/19/33/1289271933.db2.gz RRCCDKVBUAEMIM-QMMMGPOBSA-N -2 0 374.802 1.000 20 0 FCADRL CC(C)(CCNC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1)C(=O)[O-] ZINC001609674696 1289278196 /nfs/dbraw/zinc/27/81/96/1289278196.db2.gz BUNYQIYJUFTYIC-JTQLQIEISA-N -2 0 353.379 0.824 20 0 FCADRL CC(C)C(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001609682508 1289278428 /nfs/dbraw/zinc/27/84/28/1289278428.db2.gz PJUYXSGIMOHMSZ-ZDUSSCGKSA-N -2 0 368.411 0.837 20 0 FCADRL C[C@](CO)(CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)CC(=O)[O-] ZINC001609746586 1289289884 /nfs/dbraw/zinc/28/98/84/1289289884.db2.gz MOLJVDXCACMIKA-CYBMUJFWSA-N -2 0 365.791 0.790 20 0 FCADRL C[C@@]1(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])CCCN1C(=O)c1ccccc1 ZINC001609810003 1289302106 /nfs/dbraw/zinc/30/21/06/1289302106.db2.gz ACUGMZAGFBTALG-INIZCTEOSA-N -2 0 368.411 0.602 20 0 FCADRL CC1(C)CN(S(=O)(=O)Cc2ccccc2C(=O)[O-])[C@@H](C(=O)[O-])CO1 ZINC001609819369 1289305159 /nfs/dbraw/zinc/30/51/59/1289305159.db2.gz VXCMIQAXWLLLHK-GFCCVEGCSA-N -2 0 357.384 0.779 20 0 FCADRL C[C@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2cc(C(=O)[O-])on2)C1=O ZINC001609821558 1289305165 /nfs/dbraw/zinc/30/51/65/1289305165.db2.gz CIYPPONKXZNLFH-QGZVFWFLSA-N -2 0 372.337 0.961 20 0 FCADRL C[C@@H]1CCCC[C@@H]1OCCNC(=O)CS(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001609851552 1289312024 /nfs/dbraw/zinc/31/20/24/1289312024.db2.gz BZGZSHCYTDBYRO-PWSUYJOCSA-N -2 0 373.431 0.593 20 0 FCADRL CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001609896425 1289325184 /nfs/dbraw/zinc/32/51/84/1289325184.db2.gz ZXDIARXECIMBFF-YMTOWFKASA-N -2 0 366.436 0.847 20 0 FCADRL CC[C@H](CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1C(=O)OC)C(=O)[O-] ZINC001609920425 1289327934 /nfs/dbraw/zinc/32/79/34/1289327934.db2.gz WTLULUGNPISOQD-SECBINFHSA-N -2 0 373.383 0.951 20 0 FCADRL CCC[C@@H](O)[C@H](NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)C(=O)[O-] ZINC001609958993 1289333625 /nfs/dbraw/zinc/33/36/25/1289333625.db2.gz XUSCZPUROIZYOQ-KOLCDFICSA-N -2 0 367.326 0.556 20 0 FCADRL CCC[C@@H](O)[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)C(=O)[O-] ZINC001609958322 1289333677 /nfs/dbraw/zinc/33/36/77/1289333677.db2.gz PDQAUDRQPARDCF-MNOVXSKESA-N -2 0 365.791 0.931 20 0 FCADRL CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2c(C(=O)[O-])cnn2C)c1 ZINC001610050340 1289358480 /nfs/dbraw/zinc/35/84/80/1289358480.db2.gz URYFCEXIQLEKFW-UHFFFAOYSA-N -2 0 373.412 0.713 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCc2ccc(C(=O)[O-])o2)c1 ZINC001610103752 1289374224 /nfs/dbraw/zinc/37/42/24/1289374224.db2.gz ZLSGXXQRKJEEOR-UHFFFAOYSA-N -2 0 368.367 0.864 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(OC)c2)n1 ZINC001610186002 1289415641 /nfs/dbraw/zinc/41/56/41/1289415641.db2.gz BNIVJQMZZHVPHP-UHFFFAOYSA-N -2 0 369.355 0.564 20 0 FCADRL COC1(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CCOCC1 ZINC001610233699 1289433313 /nfs/dbraw/zinc/43/33/13/1289433313.db2.gz YYHXOHDFELPWNW-UHFFFAOYSA-N -2 0 357.384 0.526 20 0 FCADRL COC1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2C)CC1 ZINC001610233105 1289433645 /nfs/dbraw/zinc/43/36/45/1289433645.db2.gz UWAIJWPITIJQFG-UHFFFAOYSA-N -2 0 357.384 0.948 20 0 FCADRL COC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(=O)[O-] ZINC001610249446 1289437724 /nfs/dbraw/zinc/43/77/24/1289437724.db2.gz DCJJRUQGGSXZFP-SCSAIBSYSA-N -2 0 372.149 0.118 20 0 FCADRL COCC1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC001610248505 1289437747 /nfs/dbraw/zinc/43/77/47/1289437747.db2.gz RALMSGUSCWNHJF-UHFFFAOYSA-N -2 0 358.372 0.282 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H]2C(=O)[O-])c(CC(=O)[O-])c1 ZINC001610345275 1289465839 /nfs/dbraw/zinc/46/58/39/1289465839.db2.gz PWJWEIPYUOJQAT-LKFCYVNXSA-N -2 0 357.384 0.806 20 0 FCADRL COc1ccc(S(=O)(=O)NCC2(C(=O)[O-])CC2)c(OC)c1C(=O)[O-] ZINC001610347116 1289466724 /nfs/dbraw/zinc/46/67/24/1289466724.db2.gz MTCXNWMFERMFAW-UHFFFAOYSA-N -2 0 359.356 0.545 20 0 FCADRL COc1cccc([C@@H](NS(=O)(=O)CC2(C(=O)[O-])CCC2)C(=O)[O-])c1 ZINC001610354631 1289469087 /nfs/dbraw/zinc/46/90/87/1289469087.db2.gz NQUGGYHOKCJQBJ-GFCCVEGCSA-N -2 0 357.384 0.995 20 0 FCADRL Cc1c(NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)cnn1CC(=O)[O-] ZINC001610419834 1289483981 /nfs/dbraw/zinc/48/39/81/1289483981.db2.gz MVWSVGXLVZPHGK-UHFFFAOYSA-N -2 0 373.394 0.913 20 0 FCADRL Cc1ccc(-n2nccc2[N-]S(=O)(=O)c2scnc2C(=O)[O-])nn1 ZINC001610482917 1289494205 /nfs/dbraw/zinc/49/42/05/1289494205.db2.gz QFEPZOUKMONWDK-UHFFFAOYSA-N -2 0 366.384 0.926 20 0 FCADRL Cc1ccc(-n2nccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)nn1 ZINC001610482303 1289494281 /nfs/dbraw/zinc/49/42/81/1289494281.db2.gz BLTDBTTXLSOHMC-UHFFFAOYSA-N -2 0 360.355 0.865 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cc1C(=O)[O-] ZINC001610512601 1289498279 /nfs/dbraw/zinc/49/82/79/1289498279.db2.gz AFUNNEBASFSKKZ-OAHLLOKOSA-N -3 0 371.367 0.633 20 0 FCADRL Cc1cccc(C(=O)N2CCC(O)CC2)c1[N-]S(=O)(=O)CCC(=O)[O-] ZINC001610518807 1289499357 /nfs/dbraw/zinc/49/93/57/1289499357.db2.gz ZAZWETIYFDPACZ-UHFFFAOYSA-N -2 0 370.427 0.808 20 0 FCADRL Cc1cccc(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)c1C(=O)[O-] ZINC001610525385 1289501384 /nfs/dbraw/zinc/50/13/84/1289501384.db2.gz VYCLQWYAYUBDBC-GXFFZTMASA-N -2 0 357.384 0.539 20 0 FCADRL Cc1nn(C)c(-n2cccn2)c1C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC001610568413 1289511910 /nfs/dbraw/zinc/51/19/10/1289511910.db2.gz GSVKTVKFJDQOOR-PSASIEDQSA-N -2 0 369.403 0.083 20 0 FCADRL Cc1nn(C)c(-n2cccn2)c1C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-] ZINC001610568424 1289512021 /nfs/dbraw/zinc/51/20/21/1289512021.db2.gz GSVKTVKFJDQOOR-WPRPVWTQSA-N -2 0 369.403 0.083 20 0 FCADRL Cc1nn(-c2cccc(F)c2)cc1C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001610567670 1289512680 /nfs/dbraw/zinc/51/26/80/1289512680.db2.gz NFCNEOCOMVMBIX-UHFFFAOYSA-N -2 0 355.347 0.854 20 0 FCADRL Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001610569446 1289513887 /nfs/dbraw/zinc/51/38/87/1289513887.db2.gz DAEIZMBIAGAVKG-UHFFFAOYSA-N -2 0 351.384 0.864 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001610581975 1289516915 /nfs/dbraw/zinc/51/69/15/1289516915.db2.gz XVGIPOAMCOPESL-SECBINFHSA-N -2 0 367.383 0.945 20 0 FCADRL Cn1cc([C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C(=O)[O-])cn1 ZINC001610601934 1289524038 /nfs/dbraw/zinc/52/40/38/1289524038.db2.gz PFDNGALIXYMHJI-LLVKDONJSA-N -2 0 373.774 0.876 20 0 FCADRL Cn1cc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1C(=O)[O-] ZINC001610606911 1289525639 /nfs/dbraw/zinc/52/56/39/1289525639.db2.gz NQOJUTSBMUXLQO-GFCCVEGCSA-N -2 0 352.368 0.698 20 0 FCADRL Cn1cnc(-c2ccc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)cc2)n1 ZINC001610610972 1289527663 /nfs/dbraw/zinc/52/76/63/1289527663.db2.gz XEABNOXDZXWDLL-UHFFFAOYSA-N -2 0 362.371 0.564 20 0 FCADRL NC(=O)[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC001610636492 1289536249 /nfs/dbraw/zinc/53/62/49/1289536249.db2.gz WRKBFOFLTWOFLP-UWVGGRQHSA-N -2 0 354.384 0.481 20 0 FCADRL O=C([O-])[C@H]1CN(C(=O)C(=O)[N-]OCc2cccnc2)c2ccccc2O1 ZINC001610700456 1289560086 /nfs/dbraw/zinc/56/00/86/1289560086.db2.gz RYBJMJJDLCUKAX-CQSZACIVSA-N -2 0 357.322 0.508 20 0 FCADRL O=C([O-])[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1cccc(F)c1 ZINC001610745052 1289576463 /nfs/dbraw/zinc/57/64/63/1289576463.db2.gz SDADYKOQFHETQU-LBPRGKRZSA-N -2 0 360.363 0.582 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)Cc2ccccc2)CC1 ZINC001610755495 1289579358 /nfs/dbraw/zinc/57/93/58/1289579358.db2.gz UTWKGQSAEJDQPQ-GXTWGEPZSA-N -2 0 371.411 0.218 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)c1csc(Nc2ccccn2)n1 ZINC001610775281 1289587531 /nfs/dbraw/zinc/58/75/31/1289587531.db2.gz MXDHCGJCGXYORI-UHFFFAOYSA-N -2 0 356.385 0.816 20 0 FCADRL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NCC3=CCCOC3)cc2)[nH]1 ZINC001610791495 1289594512 /nfs/dbraw/zinc/59/45/12/1289594512.db2.gz FZVLMQMLMRJYMS-UHFFFAOYSA-N -2 0 357.366 0.869 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)NCCc2cccc(C(=O)[O-])n2)s1 ZINC001610793895 1289596407 /nfs/dbraw/zinc/59/64/07/1289596407.db2.gz VOUBBBDSNSWPNO-UHFFFAOYSA-N -2 0 370.408 0.989 20 0 FCADRL O=C([O-])c1ccccc1CS(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001610853943 1289606351 /nfs/dbraw/zinc/60/63/51/1289606351.db2.gz ITWJMCUOOOXHNQ-UHFFFAOYSA-N -2 0 357.384 0.686 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1ncccc1N1CCOCC1 ZINC001610871314 1289614208 /nfs/dbraw/zinc/61/42/08/1289614208.db2.gz HCQCBQOKJIMFDF-UHFFFAOYSA-N -2 0 370.412 0.874 20 0 FCADRL O=C([O-])c1nscc1S(=O)(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001610873701 1289615347 /nfs/dbraw/zinc/61/53/47/1289615347.db2.gz ZCWAAOLBJRTPSU-VIFPVBQESA-N -2 0 356.381 0.988 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])c1nnc2ccc(Br)cn21 ZINC001155687715 849871298 /nfs/dbraw/zinc/87/12/98/849871298.db2.gz WLLIARBUEJWUQG-UHFFFAOYSA-N -2 0 365.080 0.331 20 0 FCADRL COC(=O)c1ccc(N)cc1S(=O)(=O)[N-]c1cncc(C(=O)[O-])c1 ZINC001175842715 850775750 /nfs/dbraw/zinc/77/57/50/850775750.db2.gz AYCPEEJXLFSHRG-UHFFFAOYSA-N -2 0 351.340 0.949 20 0 FCADRL COC(=O)[C@H](CCC(=O)[O-])NC(=O)CSc1n[n-]c(=S)s1 ZINC001177345514 850841341 /nfs/dbraw/zinc/84/13/41/850841341.db2.gz ARWSVOISRZROHA-YFKPBYRVSA-N -2 0 351.431 0.442 20 0 FCADRL CNC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184670885 851318192 /nfs/dbraw/zinc/31/81/92/851318192.db2.gz XKIVFQFCKZHVFN-UHFFFAOYSA-N -2 0 350.356 0.644 20 0 FCADRL CCOC(=O)c1sc(S(=O)(=O)[N-]CCOP(=O)([O-])[O-])nc1C ZINC001184978550 851331890 /nfs/dbraw/zinc/33/18/90/851331890.db2.gz SGUCCNISDJUUGM-UHFFFAOYSA-N -3 0 374.333 0.016 20 0 FCADRL NC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC001185391209 851356094 /nfs/dbraw/zinc/35/60/94/851356094.db2.gz XHGJHSAKLXOILQ-UHFFFAOYSA-N -2 0 361.426 0.906 20 0 FCADRL O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)NCCOP(=O)([O-])[O-] ZINC001185610993 851369441 /nfs/dbraw/zinc/36/94/41/851369441.db2.gz UPNBFNYTXXXEQP-ZDUSSCGKSA-N -2 0 356.315 0.446 20 0 FCADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCCC[P@@](=O)([O-])O ZINC001185928764 851400018 /nfs/dbraw/zinc/40/00/18/851400018.db2.gz MDPWMVQVCTZMDU-UHFFFAOYSA-N -2 0 351.317 0.929 20 0 FCADRL COC(=O)c1ccnnc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186151120 851415139 /nfs/dbraw/zinc/41/51/39/851415139.db2.gz UYRAPKHCYYJTGM-UHFFFAOYSA-N -2 0 355.303 0.901 20 0 FCADRL O=P([O-])([O-])OCCNS(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187980885 851633601 /nfs/dbraw/zinc/63/36/01/851633601.db2.gz QUGHZNLRKPESAA-UHFFFAOYSA-N -2 0 351.104 0.776 20 0 FCADRL O=P([O-])([O-])OCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188087173 851642651 /nfs/dbraw/zinc/64/26/51/851642651.db2.gz DWTYALVFUMDFSV-UHFFFAOYSA-N -2 0 351.104 0.776 20 0 FCADRL COC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1ccccc1OP(=O)([O-])[O-])C2 ZINC001189870210 851832982 /nfs/dbraw/zinc/83/29/82/851832982.db2.gz BQAZBMOLWPLOHK-BONVTDFDSA-N -2 0 371.282 0.420 20 0 FCADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CC(=O)N(C2CC2)C(=O)C1 ZINC001189872944 851834094 /nfs/dbraw/zinc/83/40/94/851834094.db2.gz YHHRFYHAPBSPHK-UHFFFAOYSA-N -2 0 354.255 0.132 20 0 FCADRL COC(=O)[C@@H]1CN(C(=O)c2ccccc2OP(=O)([O-])[O-])CCN1C ZINC001189887408 851837026 /nfs/dbraw/zinc/83/70/26/851837026.db2.gz OKSOQBVQEWYUDU-NSHDSACASA-N -2 0 358.287 0.087 20 0 FCADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CCN(c2ncncn2)CC1 ZINC001189887688 851837155 /nfs/dbraw/zinc/83/71/55/851837155.db2.gz POUJNWMIUULCQO-UHFFFAOYSA-N -2 0 365.286 0.306 20 0 FCADRL COC(=O)[C@H]1CN(C)CCN1C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189887739 851837322 /nfs/dbraw/zinc/83/73/22/851837322.db2.gz QJSMMERQMUYICR-LLVKDONJSA-N -2 0 358.287 0.087 20 0 FCADRL Nc1c2c(=O)nccc-2[n-]n1C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189898692 851838679 /nfs/dbraw/zinc/83/86/79/851838679.db2.gz FPSNXCDZYIZLJE-UHFFFAOYSA-N -3 0 350.227 0.418 20 0 FCADRL O=C([O-])c1cc(C(=O)Nc2ncnn3cccc23)cc(S(=O)(=O)[O-])c1 ZINC001189915224 851842021 /nfs/dbraw/zinc/84/20/21/851842021.db2.gz PVHXFMKQWLMLKI-UHFFFAOYSA-N -2 0 362.323 0.348 20 0 FCADRL C[C@H]1CC[C@@H](CO)CN1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189923768 851844059 /nfs/dbraw/zinc/84/40/59/851844059.db2.gz OSMHRUJNRKFFBW-VHSXEESVSA-N -2 0 357.384 0.865 20 0 FCADRL Cn1ncc2c1CN(C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1)C2 ZINC001189923982 851844204 /nfs/dbraw/zinc/84/42/04/851844204.db2.gz RTVWTCVITJHCTE-UHFFFAOYSA-N -2 0 351.340 0.521 20 0 FCADRL C[C@H]1CC[C@H](CO)CN1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189923767 851844824 /nfs/dbraw/zinc/84/48/24/851844824.db2.gz OSMHRUJNRKFFBW-UWVGGRQHSA-N -2 0 357.384 0.865 20 0 FCADRL CN(C)C(=O)[C@@H]1CC12CN(C(=O)c1ccccc1OP(=O)([O-])[O-])C2 ZINC001278366212 862306649 /nfs/dbraw/zinc/30/66/49/862306649.db2.gz JAUAUQJIGIAYBZ-NSHDSACASA-N -2 0 354.299 0.708 20 0 FCADRL CN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001278367060 862307274 /nfs/dbraw/zinc/30/72/74/862307274.db2.gz UKKJQDXEOMZHQA-BMIGLBTASA-N -2 0 354.299 0.851 20 0 FCADRL NC(=O)c1ccncc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192685580 852275210 /nfs/dbraw/zinc/27/52/10/852275210.db2.gz BMWNUDPRPOHRPI-UHFFFAOYSA-N -2 0 351.340 0.445 20 0 FCADRL O=C(NCCOP(=O)([O-])[O-])Nc1ccc(N2CCOCC2)c(F)c1 ZINC001192690907 852278230 /nfs/dbraw/zinc/27/82/30/852278230.db2.gz ANXUFFZLYPYUGQ-UHFFFAOYSA-N -2 0 363.282 0.893 20 0 FCADRL COC(=O)c1ccc(C)c(S(=O)(=O)NCCOP(=O)([O-])[O-])c1 ZINC001193449806 852430525 /nfs/dbraw/zinc/43/05/25/852430525.db2.gz LKLOJSGCIQZRRP-UHFFFAOYSA-N -2 0 353.289 0.169 20 0 FCADRL CNC(=O)c1nccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195202070 852723334 /nfs/dbraw/zinc/72/33/34/852723334.db2.gz MBVZRPGYGXIDNH-UHFFFAOYSA-N -2 0 372.309 0.613 20 0 FCADRL CS(=O)(=O)[N-]c1ccsc1C(=O)Nc1[nH]c(=O)nc2nc[nH]c21 ZINC001196739691 853006974 /nfs/dbraw/zinc/00/69/74/853006974.db2.gz QZFYXUAVBWEOKJ-UHFFFAOYSA-N -2 0 354.373 0.744 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]C(N)=O)cc2)cn1 ZINC001198317534 853248754 /nfs/dbraw/zinc/24/87/54/853248754.db2.gz LUKBIQJYHQIYKT-UHFFFAOYSA-N -2 0 370.412 0.548 20 0 FCADRL Cc1nn(Cc2ccccn2)c(C)c1C(=O)NCCOP(=O)([O-])[O-] ZINC001198597981 853290443 /nfs/dbraw/zinc/29/04/43/853290443.db2.gz CNEDDBZYGPFIEN-UHFFFAOYSA-N -2 0 354.303 0.782 20 0 FCADRL O=C([O-])C[C@H](C(=O)OCc1ccc(-c2csnn2)cc1)[C@@H](O)C(=O)[O-] ZINC001206468550 853691028 /nfs/dbraw/zinc/69/10/28/853691028.db2.gz JSTWHSOPURALCE-GXFFZTMASA-N -2 0 366.351 0.785 20 0 FCADRL O=S(=O)([O-])c1cc(O)c(OC[C@H]2C[C@@H](O)C2)c(S(=O)(=O)[O-])c1 ZINC001218433876 855424777 /nfs/dbraw/zinc/42/47/77/855424777.db2.gz MNILFXHNHBWPJQ-KNVOCYPGSA-N -2 0 354.358 0.035 20 0 FCADRL O=C([O-])C[C@H](C(=O)OCc1nc(-c2ccccc2)no1)[C@H](O)C(=O)[O-] ZINC001223197535 856900091 /nfs/dbraw/zinc/90/00/91/856900091.db2.gz PPSUTIYBRUVDJH-CABZTGNLSA-N -2 0 350.283 0.316 20 0 FCADRL COC(=O)[C@H](OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1ccc(Cl)cc1 ZINC001223577974 856927017 /nfs/dbraw/zinc/92/70/17/856927017.db2.gz XPCIDISVXZEUOU-ZMLRMANQSA-N -2 0 374.729 0.634 20 0 FCADRL COC(=O)[C@@H](OC(=O)[C@H](O)COP(=O)([O-])[O-])c1ccc(Cl)cc1 ZINC001223578301 856927030 /nfs/dbraw/zinc/92/70/30/856927030.db2.gz ZKFCPDLSJLVTAA-ZJUUUORDSA-N -2 0 368.662 0.568 20 0 FCADRL CCOC(=O)CCCCCCCOC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001224371253 856981613 /nfs/dbraw/zinc/98/16/13/856981613.db2.gz FQWQJRLKOXFPMC-SMDDNHRTSA-N -2 0 362.375 0.970 20 0 FCADRL COC(=O)c1ccc(Cl)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001225382589 857038219 /nfs/dbraw/zinc/03/82/19/857038219.db2.gz OGCLEBGHYWTFHV-MRVPVSSYSA-N -2 0 354.635 0.502 20 0 FCADRL COC(=O)/C=C/c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001226249130 857094439 /nfs/dbraw/zinc/09/44/39/857094439.db2.gz QXZNEOKHRNYORJ-VPPSXGLOSA-N -2 0 352.295 0.315 20 0 FCADRL CCc1c(C)sc2ncnc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c21 ZINC001226472097 857105969 /nfs/dbraw/zinc/10/59/69/857105969.db2.gz WWKASCAYPLTMQW-MRVPVSSYSA-N -2 0 362.300 0.938 20 0 FCADRL CCOC(=O)c1c(Cl)cccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001226791605 857126012 /nfs/dbraw/zinc/12/60/12/857126012.db2.gz JXXQRPGBFNNZAN-MADCSZMMSA-N -2 0 374.729 0.959 20 0 FCADRL O=C(Oc1ncnc2sc3c(c21)CCCC3)[C@H](O)COP(=O)([O-])[O-] ZINC001227090312 857140427 /nfs/dbraw/zinc/14/04/27/857140427.db2.gz XHJSEMHXHJTJRT-MRVPVSSYSA-N -2 0 374.311 0.946 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccnc(Br)c1F)[C@@H](O)C(=O)[O-] ZINC001228539663 857213765 /nfs/dbraw/zinc/21/37/65/857213765.db2.gz DYJUSQCONPSPDM-SPGJFGJESA-N -2 0 366.095 0.425 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(F)nc1Br)[C@H](O)C(=O)[O-] ZINC001228614347 857219027 /nfs/dbraw/zinc/21/90/27/857219027.db2.gz OGOVWWNSLJCVRO-VHWMUFPASA-N -2 0 366.095 0.425 20 0 FCADRL CC(=O)c1ccc2nc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])oc2c1 ZINC001228667984 857221456 /nfs/dbraw/zinc/22/14/56/857221456.db2.gz AQXKTKTXDDYGAW-UFBFGSQYSA-N -2 0 351.267 0.472 20 0 FCADRL Cc1nc(Br)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228706164 857224456 /nfs/dbraw/zinc/22/44/56/857224456.db2.gz GWYJDUIEWSKPTN-QUBYGPBYSA-N -2 0 362.132 0.594 20 0 FCADRL Cc1nc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2cccc(O)c2n1 ZINC001228833049 857232148 /nfs/dbraw/zinc/23/21/48/857232148.db2.gz SKHCZAWPHHINKE-QPUJVOFHSA-N -2 0 350.283 0.086 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cccc(O)c1Br)[C@@H](O)C(=O)[O-] ZINC001229140303 857253230 /nfs/dbraw/zinc/25/32/30/857253230.db2.gz AFFNVCLWBVTGJQ-GPXNAGAYSA-N -2 0 363.116 0.597 20 0 FCADRL Cc1nc2cnc(Cl)cc2c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001229279269 857263584 /nfs/dbraw/zinc/26/35/84/857263584.db2.gz YGCUXIYAYBEWHD-HQJQHLMTSA-N -2 0 369.717 0.428 20 0 FCADRL Cc1ncc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1Br ZINC001229892045 857291515 /nfs/dbraw/zinc/29/15/15/857291515.db2.gz YFUFVAGXXLBAJJ-MRVPVSSYSA-N -2 0 356.065 0.528 20 0 FCADRL C[C@H]1CC[C@@H](COc2c(O)cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])O1 ZINC001230145786 857307287 /nfs/dbraw/zinc/30/72/87/857307287.db2.gz DDLRNCDWCPUSMI-YUMQZZPRSA-N -2 0 368.385 0.832 20 0 FCADRL CC[C@@H](Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-])C(=O)OC ZINC001230143914 857307564 /nfs/dbraw/zinc/30/75/64/857307564.db2.gz JQLOEIFGLXSYKX-MRVPVSSYSA-N -2 0 370.357 0.216 20 0 FCADRL O=S(=O)([O-])c1cc(O)c(O[C@H]2CCCOC2)c(S(=O)(=O)[O-])c1 ZINC001230145766 857307646 /nfs/dbraw/zinc/30/76/46/857307646.db2.gz CWQLJBYQUUGECM-ZETCQYMHSA-N -2 0 354.358 0.443 20 0 FCADRL COc1cc(C(C)=O)c(F)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230274258 857321854 /nfs/dbraw/zinc/32/18/54/857321854.db2.gz QUORMQSKCUSGHK-OQPBUACISA-N -2 0 358.274 0.479 20 0 FCADRL COc1ccc2sc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc2c1 ZINC001230338817 857327034 /nfs/dbraw/zinc/32/70/34/857327034.db2.gz GELTVNHTXANXDR-WRWORJQWSA-N -2 0 355.324 0.747 20 0 FCADRL Cn1c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc2ccc(Cl)nc21 ZINC001231042039 857354500 /nfs/dbraw/zinc/35/45/00/857354500.db2.gz PCOSASUWRKLCLN-CDUCUWFYSA-N -2 0 357.706 0.064 20 0 FCADRL Cn1c2ccc(Cl)nc2nc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001231039780 857354879 /nfs/dbraw/zinc/35/48/79/857354879.db2.gz MBCGSXQRCFEHNN-CDUCUWFYSA-N -2 0 357.706 0.064 20 0 FCADRL CC(=O)c1ccc2nc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])sc2c1 ZINC001233604113 857386968 /nfs/dbraw/zinc/38/69/68/857386968.db2.gz BCABEGSWAXXKHA-PELKAZGASA-N -2 0 367.335 0.941 20 0 FCADRL COC(=O)Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(Cl)c1 ZINC001233960496 857392812 /nfs/dbraw/zinc/39/28/12/857392812.db2.gz FQIKEMMZCBZTDM-SDBXPKJASA-N -2 0 374.729 0.497 20 0 FCADRL COc1c(Cl)ccc(F)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234328131 857400889 /nfs/dbraw/zinc/40/08/89/857400889.db2.gz MIAHIWYYIDFDDG-SSDLBLMSSA-N -2 0 350.682 0.930 20 0 FCADRL COC(=O)c1c(F)ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1F ZINC001234676114 857411951 /nfs/dbraw/zinc/41/19/51/857411951.db2.gz ITFFFVKKLGYAPQ-ULHQUTTKSA-N -2 0 362.237 0.193 20 0 FCADRL Cc1ccc2c(c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])CCCC2=O ZINC001234851342 857413856 /nfs/dbraw/zinc/41/38/56/857413856.db2.gz IQZGBBBEYONBMN-BXUZGUMPSA-N -2 0 350.323 0.956 20 0 FCADRL COc1cccc(S(=O)(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)c1 ZINC001259189574 858247202 /nfs/dbraw/zinc/24/72/02/858247202.db2.gz RRBPEGJXZCXSCG-UHFFFAOYSA-N -2 0 368.392 0.928 20 0 FCADRL CCOC(=O)c1nonc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260209042 858353843 /nfs/dbraw/zinc/35/38/43/858353843.db2.gz IDABANOLMMDAPW-UHFFFAOYSA-N -2 0 359.291 0.884 20 0 FCADRL Cc1nn(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1C(N)=O ZINC001260209100 858354244 /nfs/dbraw/zinc/35/42/44/858354244.db2.gz ITGQHVNCKQWROJ-UHFFFAOYSA-N -2 0 356.335 0.466 20 0 FCADRL COC(=O)c1nn(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260210162 858355150 /nfs/dbraw/zinc/35/51/50/858355150.db2.gz RAMWOZRNQZPCDA-UHFFFAOYSA-N -2 0 357.319 0.845 20 0 FCADRL Cc1nn(C)c([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1C(N)=O ZINC001260393046 858365266 /nfs/dbraw/zinc/36/52/66/858365266.db2.gz HUFGLLLMSCHYJB-UHFFFAOYSA-N -2 0 354.344 0.032 20 0 FCADRL CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)ncn1 ZINC001260392971 858365515 /nfs/dbraw/zinc/36/55/15/858365515.db2.gz XBXMZCWWLLITBZ-UHFFFAOYSA-N -2 0 352.328 0.640 20 0 FCADRL CCOC(=O)c1nnsc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260393552 858366485 /nfs/dbraw/zinc/36/64/85/858366485.db2.gz NTQHRKAJMKOACS-UHFFFAOYSA-N -2 0 373.368 0.919 20 0 FCADRL Cc1nc(S(=O)(=O)[N-]C(=O)CCCC(=O)[O-])c(Br)n1C ZINC001329217283 871893319 /nfs/dbraw/zinc/89/33/19/871893319.db2.gz WUHACGWOCNFTGT-UHFFFAOYSA-N -2 0 368.209 0.551 20 0 FCADRL COC[C@]1(C(=O)[O-])CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C1 ZINC001330100235 872463953 /nfs/dbraw/zinc/46/39/53/872463953.db2.gz RSXZZWCEPGILOE-HNNXBMFYSA-N -2 0 353.400 0.432 20 0 FCADRL C[C@@H](CNC(=O)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)C(=O)[O-] ZINC001332945125 873727204 /nfs/dbraw/zinc/72/72/04/873727204.db2.gz JTJJOKYKTPNIKY-ZETCQYMHSA-N -2 0 352.372 0.192 20 0 FCADRL Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cnc(C(=O)[O-])cn2)c(F)c1 ZINC001600421884 970807212 /nfs/dbraw/zinc/80/72/12/970807212.db2.gz JWSYDXCWLXYYJL-UHFFFAOYSA-N -2 0 353.331 0.882 20 0 FCADRL Cc1ccc(-n2cnnn2)cc1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000326444450 971294143 /nfs/dbraw/zinc/29/41/43/971294143.db2.gz ROUZNTCMXAHAIK-UHFFFAOYSA-N -2 0 366.384 0.926 20 0 FCADRL C[C@@H]1[C@H](C)N(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)[C@@H](C)C(=O)N1C ZINC001575870024 949480528 /nfs/dbraw/zinc/48/05/28/949480528.db2.gz TWHIYGUIOISGRR-UTLUCORTSA-N -2 0 371.405 0.055 20 0 FCADRL C[C@@H]1CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CC2(CCC2)O1 ZINC001570975302 950437694 /nfs/dbraw/zinc/43/76/94/950437694.db2.gz CMPHSIJEQYKPHF-SNVBAGLBSA-N -2 0 356.390 0.758 20 0 FCADRL C[C@@H]1CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C[C@@H](C2CC2)O1 ZINC001570975874 950474110 /nfs/dbraw/zinc/47/41/10/950474110.db2.gz XLPDUNIVURQORS-RNCFNFMXSA-N -2 0 356.390 0.614 20 0 FCADRL CC(C)(C)OC(=O)CNC(=O)c1cccc(C(=O)NCC(=O)[O-])c1[O-] ZINC001602877920 971753493 /nfs/dbraw/zinc/75/34/93/971753493.db2.gz GWSVRNMPEUNFCS-UHFFFAOYSA-N -2 0 352.343 0.278 20 0 FCADRL O=C([O-])CN1CCCC[C@@H](NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1=O ZINC001595096563 951819856 /nfs/dbraw/zinc/81/98/56/951819856.db2.gz PZINJHDSIQKVHJ-GFCCVEGCSA-N -2 0 374.353 0.225 20 0 FCADRL O=C([O-])Cn1cnc(NC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)n1 ZINC001595160577 952192273 /nfs/dbraw/zinc/19/22/73/952192273.db2.gz QHFIUJYSKXZCCC-UHFFFAOYSA-N -2 0 361.236 0.387 20 0 FCADRL COC[C@@](C)(NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C(F)(F)F ZINC001571088575 952214215 /nfs/dbraw/zinc/21/42/15/952214215.db2.gz NAGGUDNZPFYYKG-GFCCVEGCSA-N -2 0 372.311 0.672 20 0 FCADRL CCc1ncc(S(=O)(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)s1 ZINC001593653924 953729217 /nfs/dbraw/zinc/72/92/17/953729217.db2.gz HYFHTAKMBUMCQA-SECBINFHSA-N -2 0 361.445 0.450 20 0 FCADRL O=C([O-])[C@@]1([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCSC1 ZINC000389969058 972258123 /nfs/dbraw/zinc/25/81/23/972258123.db2.gz HEHCTIFEKNZEIS-LLVKDONJSA-N -2 0 350.349 0.973 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)cc2=O)n1 ZINC001594305363 957963097 /nfs/dbraw/zinc/96/30/97/957963097.db2.gz CSGYPKLZXSVFLG-JOYOIKCWSA-N -2 0 359.386 0.755 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N[C@@H](C(=O)[O-])c2ccnn2C)c1 ZINC001594131382 958674213 /nfs/dbraw/zinc/67/42/13/958674213.db2.gz FRJPQRVGXYDFEU-JBEBIEQOSA-N -2 0 351.384 0.478 20 0 FCADRL C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603239325 972378422 /nfs/dbraw/zinc/37/84/22/972378422.db2.gz DJDKTFBBTRJPRC-KPXOXKRLSA-N -2 0 370.427 0.905 20 0 FCADRL Cc1[nH]nc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1[O-] ZINC001594441208 959271753 /nfs/dbraw/zinc/27/17/53/959271753.db2.gz UZYFHCFEVDHUQL-XPUUQOCRSA-N -3 0 364.280 0.160 20 0 FCADRL COc1cccc(S([O-])=CC(=O)NC2(CC(=O)[O-])CCOCC2)c1 ZINC001574233008 960421610 /nfs/dbraw/zinc/42/16/10/960421610.db2.gz WDBMHPAHEBXKGJ-XMMPIXPASA-N -2 0 355.412 0.943 20 0 FCADRL Cc1cccc([C@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C(=O)[O-])c1 ZINC001574392392 961191906 /nfs/dbraw/zinc/19/19/06/961191906.db2.gz TXXJZDMAEUJFKS-AWEZNQCLSA-N -2 0 352.354 0.939 20 0 FCADRL COc1cc(C(=O)N2CC(C(=O)[O-])C2)cc([N-]S(C)(=O)=O)c1OC ZINC001574177109 962791937 /nfs/dbraw/zinc/79/19/37/962791937.db2.gz JNEMNQJHNCINLW-UHFFFAOYSA-N -2 0 358.372 0.232 20 0 FCADRL O=C([O-])COCCOCCNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001574728959 962823793 /nfs/dbraw/zinc/82/37/93/962823793.db2.gz AJKURQVQVXRNFX-UHFFFAOYSA-N -2 0 367.333 0.565 20 0 FCADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)nc2)n1 ZINC001573383716 963119980 /nfs/dbraw/zinc/11/99/80/963119980.db2.gz UNHPXFGIAJJWMI-UHFFFAOYSA-N -2 0 367.387 0.722 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1cccs1 ZINC000319915479 970589831 /nfs/dbraw/zinc/58/98/31/970589831.db2.gz AVXZDHDWMGSYDF-SNVBAGLBSA-N -2 0 362.429 0.895 20 0 FCADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc(O)cn1 ZINC001605971313 972982224 /nfs/dbraw/zinc/98/22/24/972982224.db2.gz WZMUHUQBKHTPRY-SCZZXKLOSA-N -2 0 361.276 0.524 20 0 FCADRL O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC001606058005 973178048 /nfs/dbraw/zinc/17/80/48/973178048.db2.gz YHMWXLJYWWFLMM-ZETCQYMHSA-N -2 0 353.274 0.133 20 0 FCADRL Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)c3ccc4oc(=O)nc-4[n-]3)C2)cn1 ZINC001605489824 973637270 /nfs/dbraw/zinc/63/72/70/973637270.db2.gz HPGSVYPOGCWJJQ-VHSXEESVSA-N -2 0 371.353 0.992 20 0 FCADRL CC(C)c1noc(CCC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC001592093587 976844774 /nfs/dbraw/zinc/84/47/74/976844774.db2.gz GZOHDEKEALKXBN-UHFFFAOYSA-N -2 0 374.419 0.283 20 0 FCADRL C[C@@H](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC001592371966 977899482 /nfs/dbraw/zinc/89/94/82/977899482.db2.gz WQKMFTKOAZLQLH-QWRGUYRKSA-N -2 0 359.404 0.479 20 0 FCADRL C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1)C(=O)[O-] ZINC001592630740 978611724 /nfs/dbraw/zinc/61/17/24/978611724.db2.gz UVHVXIJWVDRXCN-DTWKUNHWSA-N -2 0 369.399 0.384 20 0 FCADRL C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1)C(=O)[O-] ZINC001592633764 978616296 /nfs/dbraw/zinc/61/62/96/978616296.db2.gz ZNNVUPPVIWNXLK-ZCFIWIBFSA-N -2 0 373.159 0.923 20 0 FCADRL C[C@H](CS(=O)(=O)N1[C@@H](C(=O)[O-])CS[C@H]1c1ccccn1)C(=O)[O-] ZINC001592789552 979433623 /nfs/dbraw/zinc/43/36/23/979433623.db2.gz KDJFRYRAOFWIPU-IEBDPFPHSA-N -2 0 360.413 0.633 20 0 FCADRL C[C@@H](CS(=O)(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)C(=O)[O-] ZINC001592799768 979454599 /nfs/dbraw/zinc/45/45/99/979454599.db2.gz DZLPWTFLFFMXKD-VGMNWLOBSA-N -2 0 360.354 0.426 20 0 FCADRL C[C@@H](CS(=O)(=O)N[C@H](Cc1c[nH]c2ncccc12)C(=O)[O-])C(=O)[O-] ZINC001592807611 979476698 /nfs/dbraw/zinc/47/66/98/979476698.db2.gz ODCRGDNWVANXDI-GZMMTYOYSA-N -2 0 355.372 0.199 20 0 FCADRL CC[C@@](COC)([N-]S(=O)(=O)CC1(C(=O)[O-])CCCCC1)C(=O)OC ZINC001595200388 979949727 /nfs/dbraw/zinc/94/97/27/979949727.db2.gz ZEUKSVCBJJINGN-HNNXBMFYSA-N -2 0 365.448 0.909 20 0 FCADRL C[C@H](NC(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001592969977 980104670 /nfs/dbraw/zinc/10/46/70/980104670.db2.gz APJUIWZJSHCRFF-FNNWNWGMSA-N -2 0 368.430 0.951 20 0 FCADRL C[C@@H](NC(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001592979447 980146327 /nfs/dbraw/zinc/14/63/27/980146327.db2.gz JBQMYDHXDAGWKW-KXGXSXBTSA-N -2 0 352.387 0.528 20 0 FCADRL CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])C1=O ZINC001595372074 980857939 /nfs/dbraw/zinc/85/79/39/980857939.db2.gz WMQXGKKIOODLSD-ZDUSSCGKSA-N -2 0 359.335 0.438 20 0 FCADRL CC[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1 ZINC001595413345 981013670 /nfs/dbraw/zinc/01/36/70/981013670.db2.gz KDCPNQUDZYJARY-DGCLKSJQSA-N -2 0 362.448 0.739 20 0 FCADRL CCCn1cc(C(=O)[N-]S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)nn1 ZINC001596111936 983440506 /nfs/dbraw/zinc/44/05/06/983440506.db2.gz JGTYAFBQQSWUDK-UHFFFAOYSA-N -2 0 353.360 0.473 20 0 FCADRL CCCn1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)nn1 ZINC001596111970 983440851 /nfs/dbraw/zinc/44/08/51/983440851.db2.gz LBVKNTMLHPEONC-UHFFFAOYSA-N -2 0 352.372 0.646 20 0 FCADRL CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001596662309 984716029 /nfs/dbraw/zinc/71/60/29/984716029.db2.gz CKOOFWXGALFVDR-UHFFFAOYSA-N -2 0 358.372 0.716 20 0 FCADRL CCOC(=O)c1cn[n-]c1S(=O)(=O)Oc1ccccc1CC(=O)[O-] ZINC001596734413 985016001 /nfs/dbraw/zinc/01/60/01/985016001.db2.gz ADSUSFRIJWCRLP-UHFFFAOYSA-N -2 0 354.340 0.981 20 0 FCADRL C[C@H]1OCCN(S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])[C@@H]1C(=O)[O-] ZINC001599935910 985394676 /nfs/dbraw/zinc/39/46/76/985394676.db2.gz IRWUXQXNUHJMIV-HQJQHLMTSA-N -2 0 363.775 0.901 20 0 FCADRL C[C@H]1OCCN(S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)[C@@H]1C(=O)[O-] ZINC001599936608 985403683 /nfs/dbraw/zinc/40/36/83/985403683.db2.gz YKKYTGCYTGYWHT-YGRLFVJLSA-N -2 0 373.383 0.403 20 0 FCADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)Cc1cnnn1C ZINC001599948696 985571784 /nfs/dbraw/zinc/57/17/84/985571784.db2.gz RBECYLTZFQWNQU-SECBINFHSA-N -2 0 354.388 0.644 20 0 FCADRL Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC001599956584 985697832 /nfs/dbraw/zinc/69/78/32/985697832.db2.gz HAJBRAJDGXXEAI-UHFFFAOYSA-N -2 0 360.779 0.835 20 0 FCADRL CC(=O)c1ccc(NC(=C(F)C(=O)[O-])c2c([O-])[nH]c(=S)[nH]c2=O)cc1 ZINC001589299392 986051863 /nfs/dbraw/zinc/05/18/63/986051863.db2.gz GYHIIBUGSBXAKB-JTQLQIEISA-N -3 0 365.342 0.509 20 0 FCADRL CCO[N-]C(=O)CNC(=O)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC001596968452 986182814 /nfs/dbraw/zinc/18/28/14/986182814.db2.gz NGCMTNANZVAYCO-UHFFFAOYSA-N -2 0 355.372 0.446 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)CC2(C(=O)[O-])CCCCC2)[C@H](C(=O)[O-])[C@@H](C)O1 ZINC001594549137 986245480 /nfs/dbraw/zinc/24/54/80/986245480.db2.gz AQWDMWJWQZAQNL-UTUOFQBUSA-N -2 0 363.432 0.914 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])s2)[C@H](C(=O)[O-])[C@H](C)O1 ZINC001594557073 986299781 /nfs/dbraw/zinc/29/97/81/986299781.db2.gz NIKUBLQNJZGMFP-LWINAJNOSA-N -2 0 363.413 0.626 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)c2csnc2C(=O)[O-])[C@@H](C(=O)[O-])[C@@H](C)O1 ZINC001594561960 986326561 /nfs/dbraw/zinc/32/65/61/986326561.db2.gz OHJKTUSLPNQZCH-HCVRKRLWSA-N -2 0 350.374 0.092 20 0 FCADRL C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)O2 ZINC001594640213 986784420 /nfs/dbraw/zinc/78/44/20/986784420.db2.gz MVPINSMFNHOSSP-MAGOMRGPSA-N -2 0 360.388 0.624 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1COc2ccc(F)cc2C1 ZINC001589450241 986838365 /nfs/dbraw/zinc/83/83/65/986838365.db2.gz BZOKESNWGXXFSX-NGZCFLSTSA-N -2 0 359.375 0.932 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC001589451488 986844731 /nfs/dbraw/zinc/84/47/31/986844731.db2.gz INGOKFKKWIRYBY-DTWKUNHWSA-N -2 0 352.372 0.641 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cn1ccc2ccccc2c1=O ZINC001589453166 986857934 /nfs/dbraw/zinc/85/79/34/986857934.db2.gz OMYXOAHUASMERB-MNOVXSKESA-N -2 0 366.395 0.557 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1C(F)(F)F ZINC001589453107 986858135 /nfs/dbraw/zinc/85/81/35/986858135.db2.gz DIPRUJDXBSBBRQ-WDSKDSINSA-N -2 0 357.310 0.608 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(Cn2ccnn2)cc1 ZINC001589455228 986893000 /nfs/dbraw/zinc/89/30/00/986893000.db2.gz WIPYFDDIURKTGO-WDEREUQCSA-N -2 0 366.399 0.495 20 0 FCADRL CCOc1ccccc1NC(=C(F)C(=O)[O-])c1c([O-])[nH]c(=S)[nH]c1=O ZINC001597179322 987033694 /nfs/dbraw/zinc/03/36/94/987033694.db2.gz JRISETZMACPUEY-JTQLQIEISA-N -2 0 367.358 0.705 20 0 FCADRL C[C@H](C(=O)[O-])N(Cc1cccnc1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001589487118 987042310 /nfs/dbraw/zinc/04/23/10/987042310.db2.gz RFOHJANQUUYCAJ-SECBINFHSA-N -2 0 353.356 0.772 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC001589490446 987054553 /nfs/dbraw/zinc/05/45/53/987054553.db2.gz BHZIKUKCIAGYKY-VIFPVBQESA-N -2 0 350.352 0.778 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1nnn(-c2ccccc2)c1C(F)F ZINC001589490683 987055087 /nfs/dbraw/zinc/05/50/87/987055087.db2.gz DISZZBGEHCNLBR-ZETCQYMHSA-N -2 0 374.325 0.738 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccnc(OCC(F)(F)F)c1 ZINC001589492591 987064416 /nfs/dbraw/zinc/06/44/16/987064416.db2.gz VALWSGCLTKVXCU-ZCFIWIBFSA-N -2 0 356.278 0.555 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001589496502 987078909 /nfs/dbraw/zinc/07/89/09/987078909.db2.gz XHSQLBLPWUDYPG-NXEZZACHSA-N -2 0 372.374 0.488 20 0 FCADRL CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001597288697 987372641 /nfs/dbraw/zinc/37/26/41/987372641.db2.gz NLVVUEOIMLBHSH-KXUCPTDWSA-N -2 0 366.436 0.845 20 0 FCADRL CC(C)(C(=O)[O-])c1csc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC001589649609 987591845 /nfs/dbraw/zinc/59/18/45/987591845.db2.gz WOXVSTHVZGIRCY-JGVFFNPUSA-N -2 0 369.399 0.813 20 0 FCADRL CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)cn1 ZINC001589660817 987636827 /nfs/dbraw/zinc/63/68/27/987636827.db2.gz QUVINEHCWRGQDO-UHFFFAOYSA-N -2 0 374.353 0.656 20 0 FCADRL CCc1c(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cnn1-c1ccccc1 ZINC001597410981 987697740 /nfs/dbraw/zinc/69/77/40/987697740.db2.gz RCIGYAZRPJGNPD-JTQLQIEISA-N -2 0 351.384 0.967 20 0 FCADRL CSCCN(CC(=O)[O-])S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001599799492 988152094 /nfs/dbraw/zinc/15/20/94/988152094.db2.gz BYQFUAUSWHNOLQ-UHFFFAOYSA-N -2 0 351.377 0.962 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)[N-]S(=O)(=O)CCC(=O)[O-])C1 ZINC001590072283 989149314 /nfs/dbraw/zinc/14/93/14/989149314.db2.gz CWZLKJQDSXTHOP-JTQLQIEISA-N -2 0 364.420 0.554 20 0 FCADRL CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)[N-]S(=O)(=O)CC(F)F ZINC001590115797 989308535 /nfs/dbraw/zinc/30/85/35/989308535.db2.gz DAQXRIWXDFZGIW-SSDOTTSWSA-N -2 0 374.362 0.456 20 0 FCADRL CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)C(C)(C)C ZINC001590247172 989637856 /nfs/dbraw/zinc/63/78/56/989637856.db2.gz XFIMIWIBZBLTHW-QMMMGPOBSA-N -2 0 352.409 0.599 20 0 FCADRL CCn1ncc2cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])c(C)nc21 ZINC001597960119 989982024 /nfs/dbraw/zinc/98/20/24/989982024.db2.gz KZFQKJKGEWACJZ-SCZZXKLOSA-N -2 0 368.415 0.928 20 0 FCADRL CC(C)(C)n1cnc(C(=O)[N-]S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)n1 ZINC001590603121 990264087 /nfs/dbraw/zinc/26/40/87/990264087.db2.gz PWYHOJWYRSUPGH-UHFFFAOYSA-N -2 0 367.387 0.818 20 0 FCADRL CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc(OCC(=O)[O-])cc1 ZINC001598040605 990270327 /nfs/dbraw/zinc/27/03/27/990270327.db2.gz SDCJOUNGNDEWDY-UHFFFAOYSA-N -2 0 357.326 0.198 20 0 FCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12)C(=O)[O-] ZINC001590798164 990619943 /nfs/dbraw/zinc/61/99/43/990619943.db2.gz MMOWKXYLICLPBZ-MXWKQRLJSA-N -2 0 360.432 0.238 20 0 FCADRL CC(C)(CS(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)Cc1ccccc1)C(=O)[O-] ZINC001590798853 990625301 /nfs/dbraw/zinc/62/53/01/990625301.db2.gz GEUVLSZJBHZHOY-NEPJUHHUSA-N -2 0 359.400 0.073 20 0 FCADRL CC(C)(C)c1noc(CCC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])n1 ZINC001590799122 990626749 /nfs/dbraw/zinc/62/67/49/990626749.db2.gz LIUXIMLUWYIOJA-UHFFFAOYSA-N -2 0 361.420 0.857 20 0 FCADRL CC(C)([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)C(=O)NCC1CCCC1 ZINC001590879037 990789552 /nfs/dbraw/zinc/78/95/52/990789552.db2.gz GGRQGZBDEJEFAC-UHFFFAOYSA-N -2 0 359.404 0.736 20 0 FCADRL CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21)C(=O)[O-] ZINC001590981984 991144399 /nfs/dbraw/zinc/14/43/99/991144399.db2.gz AEZVTMRAAONNHH-GWCFXTLKSA-N -2 0 364.354 0.338 20 0 FCADRL CS(=O)(=O)Cc1ccccc1OS(=O)(=O)c1cc(C(=O)[O-])n[n-]1 ZINC001599753420 992020926 /nfs/dbraw/zinc/02/09/26/992020926.db2.gz PVFCSXWIOBURMV-UHFFFAOYSA-N -2 0 360.369 0.420 20 0 FCADRL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)N[C@@H](CO)C(=O)[O-] ZINC001599759886 992105714 /nfs/dbraw/zinc/10/57/14/992105714.db2.gz KNDGJXJXLGSSGL-ZDUSSCGKSA-N -2 0 352.368 0.387 20 0 FCADRL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001599760210 992110646 /nfs/dbraw/zinc/11/06/46/992110646.db2.gz QEXIQVIADADQHI-UHFFFAOYSA-N -2 0 364.379 0.483 20 0 FCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001599760311 992112170 /nfs/dbraw/zinc/11/21/70/992112170.db2.gz KRIRXHWYQQEYKE-WCBMZHEXSA-N -2 0 360.363 0.105 20 0 FCADRL CS(=O)(=O)[N-]c1nnc(NC(=O)c2ccc(OCC(=O)[O-])cc2)s1 ZINC001599762550 992142168 /nfs/dbraw/zinc/14/21/68/992142168.db2.gz RDCLJUOHGXZMCS-UHFFFAOYSA-N -2 0 372.384 0.625 20 0 FCADRL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])[nH]2)cc1 ZINC001599773032 992268190 /nfs/dbraw/zinc/26/81/90/992268190.db2.gz UCKKBYFXESIMLU-UHFFFAOYSA-N -2 0 372.380 0.235 20 0 FCADRL C[S@](=O)c1cccc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])c1 ZINC001599778413 992334208 /nfs/dbraw/zinc/33/42/08/992334208.db2.gz GJEMYGHSCAWUKY-QFIPXVFZSA-N -2 0 374.421 0.697 20 0 FCADRL CC(C)Cn1[n-]c(CC(=O)N2[C@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)cc1=O ZINC001591498043 992637206 /nfs/dbraw/zinc/63/72/06/992637206.db2.gz QQSGYKUCJPQGOI-UQOMUDLDSA-N -2 0 365.430 0.997 20 0 FCADRL CN1C[C@H](C(=O)[O-])N(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC1=O ZINC001598564402 993125595 /nfs/dbraw/zinc/12/55/95/993125595.db2.gz UAIOFYYSBVPCCN-LLVKDONJSA-N -2 0 362.317 0.084 20 0 FCADRL CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CC1=O ZINC001598578646 993312288 /nfs/dbraw/zinc/31/22/88/993312288.db2.gz JWOBPCAPHBRNIE-QMMMGPOBSA-N -2 0 374.802 0.712 20 0 FCADRL COc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c(C(=O)[O-])c1 ZINC001599586165 993616365 /nfs/dbraw/zinc/61/63/65/993616365.db2.gz NNZHJTHEJSCHPJ-CABZTGNLSA-N -2 0 364.354 0.901 20 0 FCADRL COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC001599606322 993890399 /nfs/dbraw/zinc/89/03/99/993890399.db2.gz DRIRUIQGZNHVMP-UHFFFAOYSA-N -2 0 354.340 0.849 20 0 FCADRL COc1ccc(S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1CC(=O)[O-] ZINC001599610971 993952932 /nfs/dbraw/zinc/95/29/32/993952932.db2.gz XGSQGHMXLFTCSD-YABSGUDNSA-N -2 0 355.368 0.273 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)c2ccnn2C)c(CC(=O)[O-])c1 ZINC001599611400 993958812 /nfs/dbraw/zinc/95/88/12/993958812.db2.gz IKGZZWQZVMGWIZ-UHFFFAOYSA-N -2 0 353.356 0.175 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)c2cnn(C)c2C)c(CC(=O)[O-])c1 ZINC001599611582 993961392 /nfs/dbraw/zinc/96/13/92/993961392.db2.gz NRCIAEDABAGOFV-UHFFFAOYSA-N -2 0 367.383 0.483 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)[O-])cc1C(=O)[O-] ZINC001599612633 993975608 /nfs/dbraw/zinc/97/56/08/993975608.db2.gz IVKQVNKNCHTSJM-SKDRFNHKSA-N -2 0 373.383 0.552 20 0 FCADRL CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n1 ZINC001598658944 994566843 /nfs/dbraw/zinc/56/68/43/994566843.db2.gz ISWYSFKACPNFCM-UHFFFAOYSA-N -2 0 369.380 0.320 20 0 FCADRL C[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593347704 994960099 /nfs/dbraw/zinc/96/00/99/994960099.db2.gz QFEPXUXVAUSOPA-INTQDDNPSA-N -2 0 359.404 0.381 20 0 FCADRL COC(=O)[C@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccccc1 ZINC001598686881 995010497 /nfs/dbraw/zinc/01/04/97/995010497.db2.gz CDCFAWVARZXAGQ-CQSZACIVSA-N -2 0 354.340 0.740 20 0 FCADRL C[C@](O)(CNS(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC001593416962 995201463 /nfs/dbraw/zinc/20/14/63/995201463.db2.gz JGFCYGVGNBAEMC-NSHDSACASA-N -2 0 371.289 0.518 20 0 FCADRL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1C(=O)[O-])c1ccn(C)n1 ZINC001598713861 995380585 /nfs/dbraw/zinc/38/05/85/995380585.db2.gz OYJQXHVANPOHOQ-LBPRGKRZSA-N -2 0 353.356 0.311 20 0 FCADRL C[C@@H](OC(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)NCC(=O)[O-] ZINC001593601692 995759179 /nfs/dbraw/zinc/75/91/79/995759179.db2.gz SYLDAKWFGZACJR-MRVPVSSYSA-N -2 0 351.290 0.463 20 0 FCADRL C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001593608625 995797822 /nfs/dbraw/zinc/79/78/22/995797822.db2.gz MMIRXRBAHXUKHP-RISCZKNCSA-N -2 0 371.411 0.915 20 0 FCADRL CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1)C(=O)[O-] ZINC001593624494 995887389 /nfs/dbraw/zinc/88/73/89/995887389.db2.gz OPGCWOLGDQIWIH-QPUJVOFHSA-N -2 0 370.333 0.842 20 0 FCADRL C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1 ZINC001593783376 996494319 /nfs/dbraw/zinc/49/43/19/996494319.db2.gz JMFHXXDJFMTNCG-LPMFXHHGSA-N -2 0 374.393 0.636 20 0 FCADRL COC(=O)CCCS(=O)(=O)[N-]C(=O)CCc1ccccc1C(=O)[O-] ZINC001598852662 996617702 /nfs/dbraw/zinc/61/77/02/996617702.db2.gz XTHUFZGVPMYJBV-UHFFFAOYSA-N -2 0 357.384 0.717 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2c(C)ccc(C(=O)[O-])c2O)cn1 ZINC001598874904 996756825 /nfs/dbraw/zinc/75/68/25/996756825.db2.gz GJGOCSMQIRADGP-UHFFFAOYSA-N -2 0 369.355 0.569 20 0 FCADRL COC(=O)Cn1ncc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)c1C ZINC001598875946 996763052 /nfs/dbraw/zinc/76/30/52/996763052.db2.gz IGPVVAWQPVLKJM-UHFFFAOYSA-N -2 0 354.344 0.259 20 0 FCADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)N1[C@H](C)SC[C@@H]1C(=O)[O-] ZINC001599380780 996839961 /nfs/dbraw/zinc/83/99/61/996839961.db2.gz TVIANEGVELETSS-IONNQARKSA-N -2 0 361.397 0.930 20 0 FCADRL COC[C@@H](NC(=O)c1cnc(I)c([O-])c1)C(=O)[O-] ZINC001599175829 996841065 /nfs/dbraw/zinc/84/10/65/996841065.db2.gz NBDKCJARHOUFNX-ZCFIWIBFSA-N -2 0 366.111 0.221 20 0 FCADRL CC1(C)CN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)[C@@H](C(=O)[O-])CO1 ZINC001593946652 996998274 /nfs/dbraw/zinc/99/82/74/996998274.db2.gz GCZBILNTUAMQRR-GFCCVEGCSA-N -2 0 357.384 0.566 20 0 FCADRL COCC1(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CCOCC1 ZINC001599185579 997020048 /nfs/dbraw/zinc/02/00/48/997020048.db2.gz BJJWRTSUCGSUKV-UHFFFAOYSA-N -2 0 363.413 0.694 20 0 FCADRL COC[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001599192217 997142470 /nfs/dbraw/zinc/14/24/70/997142470.db2.gz KZDCGKLXZHZVBK-AWEZNQCLSA-N -2 0 357.388 0.159 20 0 FCADRL COCn1nc(C)c(S(=O)(=O)[N-]c2c(C(=O)[O-])c(C)nn2C)c1C ZINC001599308049 997361609 /nfs/dbraw/zinc/36/16/09/997361609.db2.gz HBIZEWAVLXLNMI-UHFFFAOYSA-N -2 0 357.392 0.645 20 0 FCADRL COc1cc(CS(=O)(=O)[N-]C(=O)CCSCC(=O)[O-])sn1 ZINC001599417136 997529576 /nfs/dbraw/zinc/52/95/76/997529576.db2.gz QACKCOLTDRFCLB-UHFFFAOYSA-N -2 0 354.431 0.306 20 0 FCADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NCC2(C(=O)[O-])CCC2)c1 ZINC001598921760 997578397 /nfs/dbraw/zinc/57/83/97/997578397.db2.gz JNISYTFSLUDLDQ-UHFFFAOYSA-N -2 0 371.367 0.705 20 0 FCADRL COCC[C@H](NC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1)C(=O)[O-] ZINC001599216443 997590653 /nfs/dbraw/zinc/59/06/53/997590653.db2.gz VTDRSNNVIODCIX-QMMMGPOBSA-N -2 0 352.265 0.678 20 0 FCADRL COC(=O)c1cc(C)cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1 ZINC001598929375 997716034 /nfs/dbraw/zinc/71/60/34/997716034.db2.gz YSFQQERGLNFDGM-UHFFFAOYSA-N -2 0 357.384 0.952 20 0 FCADRL COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001599235135 997931785 /nfs/dbraw/zinc/93/17/85/997931785.db2.gz VLPYETUKQNDQJM-UHFFFAOYSA-N -2 0 357.384 0.525 20 0 FCADRL CO[C@H]1CN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)[C@@](C)(C(=O)[O-])C1 ZINC001599133692 998000284 /nfs/dbraw/zinc/00/02/84/998000284.db2.gz KDUGLLIYTXEUGX-VYUIOLGVSA-N -2 0 354.325 0.780 20 0 FCADRL COc1cc(Br)ccc1C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001599346264 998012249 /nfs/dbraw/zinc/01/22/49/998012249.db2.gz BGCMSBURGBCSMX-UHFFFAOYSA-N -2 0 352.162 0.602 20 0 FCADRL CO[C@H]1COCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001599138979 998093563 /nfs/dbraw/zinc/09/35/63/998093563.db2.gz MSSGUAOCGZCJFT-BDAKNGLRSA-N -2 0 363.413 0.693 20 0 FCADRL CO[C@@H]1COCC[C@H]1CC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001599141376 998136285 /nfs/dbraw/zinc/13/62/85/998136285.db2.gz XDHQFAZHMGGCDG-GXTWGEPZSA-N -2 0 371.411 0.772 20 0 FCADRL COCCOc1ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])c(Cl)c1 ZINC001599257834 998333991 /nfs/dbraw/zinc/33/39/91/998333991.db2.gz AVGCAECHGIKYGF-UHFFFAOYSA-N -2 0 351.764 0.509 20 0 FCADRL COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001599366944 998349731 /nfs/dbraw/zinc/34/97/31/998349731.db2.gz GBUZUMHRCVEHHM-ONGXEEELSA-N -2 0 364.354 0.901 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@H]2CC=C(C(=O)[O-])C2)c1 ZINC001598962452 998358687 /nfs/dbraw/zinc/35/86/87/998358687.db2.gz BOTPLOLWDFBIRA-JTQLQIEISA-N -2 0 369.351 0.623 20 0 FCADRL COCCOc1cccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC001599260169 998372161 /nfs/dbraw/zinc/37/21/61/998372161.db2.gz JKLVSEQGZUHSRW-UHFFFAOYSA-N -2 0 368.367 0.857 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC001598964132 998384589 /nfs/dbraw/zinc/38/45/89/998384589.db2.gz SKOPQAAHCUCJSG-UHFFFAOYSA-N -2 0 373.383 0.951 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C(=O)[O-])C1CCC1 ZINC001598970224 998502286 /nfs/dbraw/zinc/50/22/86/998502286.db2.gz HMQSJORCIBDPIS-LBPRGKRZSA-N -2 0 371.367 0.703 20 0 FCADRL COC(=O)c1ccc(NC(=O)C(=O)[N-]OCCC2CC2)cc1C(=O)[O-] ZINC001598978269 998626872 /nfs/dbraw/zinc/62/68/72/998626872.db2.gz KQXKHMOSPDOJEF-UHFFFAOYSA-N -2 0 350.327 0.958 20 0 FCADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c(OC)c1 ZINC001598982963 998674586 /nfs/dbraw/zinc/67/45/86/998674586.db2.gz QWGCEWKBVSPYEQ-UHFFFAOYSA-N -2 0 369.355 0.564 20 0 FCADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C ZINC001599018043 998955599 /nfs/dbraw/zinc/95/55/99/998955599.db2.gz CAQPWGJSOXTYPT-QMMMGPOBSA-N -2 0 365.385 0.620 20 0 FCADRL CO[C@H](C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1C)C(=O)[O-])C1CC1 ZINC001599042347 999126982 /nfs/dbraw/zinc/12/69/82/999126982.db2.gz BJNDZSYXDYSMQD-VHSXEESVSA-N -2 0 361.372 0.833 20 0 FCADRL CO[C@@H](C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)[O-])C1CC1 ZINC001599044026 999138352 /nfs/dbraw/zinc/13/83/52/999138352.db2.gz PTTNLBSLYBCWHG-PWSUYJOCSA-N -2 0 360.388 0.270 20 0 FCADRL CO[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)CC(=O)[O-] ZINC001599055831 999229208 /nfs/dbraw/zinc/22/92/08/999229208.db2.gz RPWHHQSZIFJYQB-SSDOTTSWSA-N -2 0 351.764 0.806 20 0 FCADRL CO[C@H](CS(=O)(=O)[N-]c1nc(CC(=O)[O-])cs1)C1CCOCC1 ZINC001599059910 999257654 /nfs/dbraw/zinc/25/76/54/999257654.db2.gz QKZMQRFFVCNPGU-LLVKDONJSA-N -2 0 364.445 0.954 20 0 FCADRL C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])[C@@H](C(=O)[O-])C1 ZINC001594410416 999531827 /nfs/dbraw/zinc/53/18/27/999531827.db2.gz OXTFUYFBCGTMIJ-GXFFZTMASA-N -2 0 370.427 0.968 20 0 FCADRL CC[C@H](NC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC000263066319 209696146 /nfs/dbraw/zinc/69/61/46/209696146.db2.gz YWXKNQIWKYGWCL-NSHDSACASA-N -2 0 357.388 0.610 20 0 FCADRL COC(=O)c1cccc(CS(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])c1 ZINC000278808450 212487996 /nfs/dbraw/zinc/48/79/96/212487996.db2.gz WUUJQTUKAHMSRV-GFCCVEGCSA-N -2 0 373.383 0.601 20 0 FCADRL CCOC(=O)c1ccc(C)c(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1 ZINC000276567395 212256656 /nfs/dbraw/zinc/25/66/56/212256656.db2.gz MOCJLXVCDJLMDI-UHFFFAOYSA-N -2 0 359.356 0.332 20 0 FCADRL O=C([O-])CCCNC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000414630077 245308290 /nfs/dbraw/zinc/30/82/90/245308290.db2.gz SNSPENKDEGKSAB-OCCSQVGLSA-N -2 0 363.370 0.577 20 0 FCADRL CC1(C)Cc2cccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c2O1 ZINC000374416432 217127073 /nfs/dbraw/zinc/12/70/73/217127073.db2.gz RKPMQMJYDWYAGB-SNVBAGLBSA-N -2 0 357.384 0.854 20 0 FCADRL COC(=O)c1cc(C)c(C)c(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000274997815 211945702 /nfs/dbraw/zinc/94/57/02/211945702.db2.gz NRJFSEGOXOPFTK-LLVKDONJSA-N -2 0 373.383 0.544 20 0 FCADRL COc1ccc2c(c1)C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])CC2 ZINC000274967702 211938884 /nfs/dbraw/zinc/93/88/84/211938884.db2.gz VZBQQFCMNXVRMN-CYBMUJFWSA-N -2 0 355.368 0.830 20 0 FCADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1 ZINC000274925526 211930087 /nfs/dbraw/zinc/93/00/87/211930087.db2.gz BYWSLKHCKOMFOC-UHFFFAOYSA-N -2 0 365.747 0.287 20 0 FCADRL Cc1cccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1Br ZINC000274903535 211926229 /nfs/dbraw/zinc/92/62/29/211926229.db2.gz IQFUWILOLRNDDC-ZETCQYMHSA-N -2 0 366.189 0.964 20 0 FCADRL NC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC000438814630 248098104 /nfs/dbraw/zinc/09/81/04/248098104.db2.gz YDCYZTPZSLQIFS-UHFFFAOYSA-N -2 0 358.763 0.521 20 0 FCADRL O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000270539945 211219944 /nfs/dbraw/zinc/21/99/44/211219944.db2.gz XEAUNHQDHILBSS-QMMMGPOBSA-N -2 0 368.371 0.311 20 0 FCADRL O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000270539944 211219525 /nfs/dbraw/zinc/21/95/25/211219525.db2.gz XEAUNHQDHILBSS-MRVPVSSYSA-N -2 0 368.371 0.311 20 0 FCADRL NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000481465594 250335797 /nfs/dbraw/zinc/33/57/97/250335797.db2.gz NNQOZRPZPPEAPD-UHFFFAOYSA-N -3 0 372.380 0.539 20 0 FCADRL Cc1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])ccc1Br ZINC000105642275 208202979 /nfs/dbraw/zinc/20/29/79/208202979.db2.gz DBWPWUGMYNLIDU-VIFPVBQESA-N -2 0 366.189 0.964 20 0 FCADRL CNS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000290476485 489143356 /nfs/dbraw/zinc/14/33/56/489143356.db2.gz HHNKZCRLDXEBSS-SECBINFHSA-N -2 0 350.418 0.221 20 0 FCADRL CCn1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c(C(N)=O)n1 ZINC000278766417 488894700 /nfs/dbraw/zinc/89/47/00/488894700.db2.gz XVLBKEMCSFSFOA-UHFFFAOYSA-N -2 0 358.401 0.871 20 0 FCADRL Cc1nn(C)c2ncc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc12 ZINC000278840300 488899098 /nfs/dbraw/zinc/89/90/98/488899098.db2.gz ZPZAXLRKVKMYAK-LLVKDONJSA-N -2 0 370.387 0.263 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(S(N)(=O)=O)c1 ZINC000320239608 488899978 /nfs/dbraw/zinc/89/99/78/488899978.db2.gz GMCHPUVYKDRAKH-UHFFFAOYSA-N -2 0 360.369 0.734 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000324044671 488904848 /nfs/dbraw/zinc/90/48/48/488904848.db2.gz SESDNEOLOVSGCS-UHFFFAOYSA-N -2 0 373.412 0.764 20 0 FCADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cc1C(=O)[O-] ZINC000324772866 488907299 /nfs/dbraw/zinc/90/72/99/488907299.db2.gz DCVFYZJJMCMLPG-UHFFFAOYSA-N -2 0 352.372 0.484 20 0 FCADRL CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1 ZINC000327102570 488917921 /nfs/dbraw/zinc/91/79/21/488917921.db2.gz XRWQMQLJIAUMTN-OLZOCXBDSA-N -2 0 370.383 0.441 20 0 FCADRL COc1ccc(OC)c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1 ZINC000327034485 488918066 /nfs/dbraw/zinc/91/80/66/488918066.db2.gz JCSQMUFXAXUMPU-GHMZBOCLSA-N -2 0 373.383 0.500 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)cn1 ZINC000032630819 487778523 /nfs/dbraw/zinc/77/85/23/487778523.db2.gz FQCZVLQJMTZUNZ-JTQLQIEISA-N -2 0 364.383 0.658 20 0 FCADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)NC1CCCC1 ZINC000065833021 488321719 /nfs/dbraw/zinc/32/17/19/488321719.db2.gz AXLJNLMYPGYUGE-UHFFFAOYSA-N -2 0 357.388 0.834 20 0 FCADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccn(CC(=O)N(C)C)n1 ZINC000268636704 488437758 /nfs/dbraw/zinc/43/77/58/488437758.db2.gz QFTBQWQIMJAUTR-UHFFFAOYSA-N -2 0 366.399 0.779 20 0 FCADRL CO[C@H](CNS(=O)(=O)c1cncc(Br)c1)CC(=O)[O-] ZINC000232107772 488452801 /nfs/dbraw/zinc/45/28/01/488452801.db2.gz FTGAYYQBEIKSRN-QMMMGPOBSA-N -2 0 353.194 0.612 20 0 FCADRL COc1cc(C(=O)N(C)[C@H](C)C(=O)[O-])cc([N-]S(C)(=O)=O)c1OC ZINC000262926278 488599616 /nfs/dbraw/zinc/59/96/16/488599616.db2.gz WHSYUIAZGCEDQV-MRVPVSSYSA-N -2 0 360.388 0.620 20 0 FCADRL COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](CCSC)C(=O)[O-] ZINC000274914649 488743110 /nfs/dbraw/zinc/74/31/10/488743110.db2.gz LJOHWKRFTGSLIS-ZCFIWIBFSA-N -2 0 354.431 0.414 20 0 FCADRL Cc1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c2cccnc12 ZINC000274940725 488746089 /nfs/dbraw/zinc/74/60/89/488746089.db2.gz GDXYPBZPGUXKGI-JTQLQIEISA-N -2 0 352.368 0.997 20 0 FCADRL CC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1 ZINC000274949538 488746877 /nfs/dbraw/zinc/74/68/77/488746877.db2.gz AFAPGCRBENHMNG-CHWSQXEVSA-N -2 0 355.368 0.685 20 0 FCADRL O=C([O-])[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000274961755 488748642 /nfs/dbraw/zinc/74/86/42/488748642.db2.gz JEWNXKIVARHSSN-NSHDSACASA-N -2 0 368.333 0.168 20 0 FCADRL CC1(c2ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc2)OCCO1 ZINC000274982697 488750774 /nfs/dbraw/zinc/75/07/74/488750774.db2.gz XXZLONGYFZWENL-NSHDSACASA-N -2 0 359.356 0.112 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(=O)[O-] ZINC000274995506 488751856 /nfs/dbraw/zinc/75/18/56/488751856.db2.gz ZVYQUIUCGHMZME-LLVKDONJSA-N -2 0 356.356 0.020 20 0 FCADRL CCN(Cc1ccccc1)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000275081607 488759946 /nfs/dbraw/zinc/75/99/46/488759946.db2.gz IULMDVUPXYJXIL-ZIAGYGMSSA-N -2 0 370.427 0.861 20 0 FCADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c1 ZINC000275087358 488760154 /nfs/dbraw/zinc/76/01/54/488760154.db2.gz OGOZRRJNXXNCAR-JTQLQIEISA-N -2 0 362.791 0.540 20 0 FCADRL C[C@H]1Cc2cc(S(=O)(=O)N3CC[C@@](CC(=O)[O-])(C(=O)[O-])C3)ccc2O1 ZINC000275141367 488765609 /nfs/dbraw/zinc/76/56/09/488765609.db2.gz QISCPJVPXLTYDQ-QFYYESIMSA-N -2 0 369.395 0.950 20 0 FCADRL COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC000275152688 488766754 /nfs/dbraw/zinc/76/67/54/488766754.db2.gz RXMSWODVRVPZLY-MNOVXSKESA-N -2 0 373.383 0.500 20 0 FCADRL CC(C)N(CC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000563144219 491221123 /nfs/dbraw/zinc/22/11/23/491221123.db2.gz UWALIVFXOIZPMW-UHFFFAOYSA-N -2 0 350.343 0.565 20 0 FCADRL O=C([O-])[C@@H](CCO)NS(=O)(=O)c1ccc(Br)cc1F ZINC000161801995 488798786 /nfs/dbraw/zinc/79/87/86/488798786.db2.gz MNHHOHNSMOVAGF-MRVPVSSYSA-N -2 0 356.169 0.702 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc3c2OCC3)C1 ZINC000570196466 491223827 /nfs/dbraw/zinc/22/38/27/491223827.db2.gz WVDSMXDTLUNSBY-OAHLLOKOSA-N -2 0 355.368 0.562 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2cccc3c2OCC3)CC[C@@H]1C(=O)[O-] ZINC000570506496 491245431 /nfs/dbraw/zinc/24/54/31/491245431.db2.gz QZMJZLDKHFHGER-QWRGUYRKSA-N -2 0 355.368 0.418 20 0 FCADRL COc1cc(F)c(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1OC ZINC000298278361 489311125 /nfs/dbraw/zinc/31/11/25/489311125.db2.gz BIHVWKRSSAJPFZ-QMMMGPOBSA-N -2 0 365.335 0.439 20 0 FCADRL O=C([O-])CC[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)[O-] ZINC000298853029 489373761 /nfs/dbraw/zinc/37/37/61/489373761.db2.gz KCRSGKRJKUYOQA-LBPRGKRZSA-N -2 0 370.383 0.558 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cn1 ZINC000298856539 489374396 /nfs/dbraw/zinc/37/43/96/489374396.db2.gz NPKXINLCBBMWEI-UHFFFAOYSA-N -2 0 366.399 0.745 20 0 FCADRL NC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)n1 ZINC000298912824 489381454 /nfs/dbraw/zinc/38/14/54/489381454.db2.gz FDGLVCVACUFVDK-UHFFFAOYSA-N -2 0 364.383 0.356 20 0 FCADRL C[C@@H](NC(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C)c1)C(=O)[O-] ZINC000426713959 489580820 /nfs/dbraw/zinc/58/08/20/489580820.db2.gz KUGXRZUSRZOUBD-SSDOTTSWSA-N -2 0 358.401 0.485 20 0 FCADRL COC(=O)Cn1ncc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1C ZINC000475837783 489853233 /nfs/dbraw/zinc/85/32/33/489853233.db2.gz WXKWMINJLOWFGP-UHFFFAOYSA-N -2 0 367.383 0.792 20 0 FCADRL Cn1cnc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)c1 ZINC000476417027 489886076 /nfs/dbraw/zinc/88/60/76/489886076.db2.gz HYBLXYSFJQGXHX-UHFFFAOYSA-N -2 0 359.385 0.323 20 0 FCADRL CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cn1 ZINC000433505349 489889899 /nfs/dbraw/zinc/88/98/99/489889899.db2.gz GYYVAYGDCZNBHC-UHFFFAOYSA-N -2 0 368.371 0.176 20 0 FCADRL COC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)n1 ZINC000436845253 490015062 /nfs/dbraw/zinc/01/50/62/490015062.db2.gz IQVOITMEMHRYPY-UHFFFAOYSA-N -2 0 369.355 0.569 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000391007072 490139446 /nfs/dbraw/zinc/13/94/46/490139446.db2.gz XJGILVKFWFDQEQ-QMMMGPOBSA-N -2 0 357.262 0.791 20 0 FCADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000547600059 490327716 /nfs/dbraw/zinc/32/77/16/490327716.db2.gz VCISHVFIDGEWKM-NEPJUHHUSA-N -2 0 373.431 0.877 20 0 FCADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000547600061 490327755 /nfs/dbraw/zinc/32/77/55/490327755.db2.gz VCISHVFIDGEWKM-RYUDHWBXSA-N -2 0 373.431 0.877 20 0 FCADRL CCc1noc2ncc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc12 ZINC000547599313 490327789 /nfs/dbraw/zinc/32/77/89/490327789.db2.gz BTIQKRZPGVEMFX-JTQLQIEISA-N -2 0 357.344 0.382 20 0 FCADRL COC(=O)c1cc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])oc1C ZINC000547608123 490328688 /nfs/dbraw/zinc/32/86/88/490328688.db2.gz NZUZHRFPYVFVKH-ZDUSSCGKSA-N -2 0 363.344 0.219 20 0 FCADRL CCN(Cc1ccccc1)S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000547931692 490390745 /nfs/dbraw/zinc/39/07/45/490390745.db2.gz GXSBPGLTZYQDGR-OAHLLOKOSA-N -2 0 358.416 0.909 20 0 FCADRL C[C@@](CNS(=O)(=O)c1ccc2c(c1)CCCO2)(CC(=O)[O-])C(=O)[O-] ZINC000547937513 490392825 /nfs/dbraw/zinc/39/28/25/490392825.db2.gz JBYDYHMZRALYFW-HNNXBMFYSA-N -2 0 357.384 0.856 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cn1 ZINC000484491555 490434518 /nfs/dbraw/zinc/43/45/18/490434518.db2.gz MAVATPVVIULIDC-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC000484521276 490436447 /nfs/dbraw/zinc/43/64/47/490436447.db2.gz BVXJNYWYEWAOKH-UHFFFAOYSA-N -2 0 357.319 0.694 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)Cc2c(F)cccc2F)CC[C@@H]1C(=O)[O-] ZINC000548253660 490450396 /nfs/dbraw/zinc/45/03/96/490450396.db2.gz POPOAVYZZXNPFP-IUCAKERBSA-N -2 0 363.338 0.902 20 0 FCADRL C[C@](CNS(=O)(=O)N1CC[C@H]2CCCC[C@@H]2C1)(CC(=O)[O-])C(=O)[O-] ZINC000548259514 490453091 /nfs/dbraw/zinc/45/30/91/490453091.db2.gz CDACVEQZEIABIP-LALPHHSUSA-N -2 0 362.448 0.899 20 0 FCADRL CN(CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1 ZINC000548432812 490484460 /nfs/dbraw/zinc/48/44/60/490484460.db2.gz RBDZDDMGOUZLTE-UHFFFAOYSA-N -2 0 352.162 0.852 20 0 FCADRL NC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000548527077 490495193 /nfs/dbraw/zinc/49/51/93/490495193.db2.gz MANGWZSVRFRIBT-UHFFFAOYSA-N -2 0 364.335 0.983 20 0 FCADRL Cn1cc(C[C@H]([N-]S(=O)(=O)c2c(F)cc(F)cc2F)C(=O)[O-])cn1 ZINC000548545466 490503094 /nfs/dbraw/zinc/50/30/94/490503094.db2.gz WNEQOJMOFUBQLZ-NSHDSACASA-N -2 0 363.317 0.812 20 0 FCADRL O=C([O-])c1ccccc1NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000548576788 490509729 /nfs/dbraw/zinc/50/97/29/490509729.db2.gz LCYNWKCTOSDDDV-UHFFFAOYSA-N -2 0 362.323 0.935 20 0 FCADRL Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1=O ZINC000511281199 490576686 /nfs/dbraw/zinc/57/66/86/490576686.db2.gz RYCYILNUPRZZQU-UHFFFAOYSA-N -2 0 352.324 0.583 20 0 FCADRL Cc1c(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cnn1-c1ccccn1 ZINC000536994294 490632132 /nfs/dbraw/zinc/63/21/32/490632132.db2.gz OWNFLLXKJAGJDE-UHFFFAOYSA-N -2 0 362.371 0.808 20 0 FCADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)c(C)c1C(=O)[O-] ZINC000512737562 490695493 /nfs/dbraw/zinc/69/54/93/490695493.db2.gz GIIVMINCJYESLE-UHFFFAOYSA-N -2 0 352.372 0.484 20 0 FCADRL CNC(=O)Cn1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1C ZINC000504286762 490794196 /nfs/dbraw/zinc/79/41/96/490794196.db2.gz UNECXSVNBHILTB-UHFFFAOYSA-N -2 0 358.401 0.498 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1C(=O)[O-] ZINC000539843405 490797925 /nfs/dbraw/zinc/79/79/25/490797925.db2.gz QIJJKPVBEFUXBO-UHFFFAOYSA-N -3 0 355.328 0.383 20 0 FCADRL Cn1ncc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1C(=O)[O-] ZINC000540292997 490814422 /nfs/dbraw/zinc/81/44/22/490814422.db2.gz SNAVNONHRRSZER-UHFFFAOYSA-N -2 0 359.385 0.323 20 0 FCADRL CCOC(=O)c1ccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])o1 ZINC000515454993 490827081 /nfs/dbraw/zinc/82/70/81/490827081.db2.gz IIVIHPSPBINIMA-MRVPVSSYSA-N -2 0 363.344 0.443 20 0 FCADRL COc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cccc1C(N)=O ZINC000541123523 490850528 /nfs/dbraw/zinc/85/05/28/490850528.db2.gz MFMIXXXGUSCIGK-UHFFFAOYSA-N -2 0 366.351 0.999 20 0 FCADRL Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H](c3nnn[n-]3)C2)c(O)c1 ZINC000542650125 490903149 /nfs/dbraw/zinc/90/31/49/490903149.db2.gz LVIINBSWPKRMQI-LBPRGKRZSA-N -2 0 358.402 0.740 20 0 FCADRL COC(=O)C1(CS(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])CCCC1 ZINC000565513886 491381270 /nfs/dbraw/zinc/38/12/70/491381270.db2.gz QLXRXYWLVZNCGI-SNVBAGLBSA-N -2 0 365.404 0.347 20 0 FCADRL COc1ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c(C)c1F ZINC000573057333 491409701 /nfs/dbraw/zinc/40/97/01/491409701.db2.gz LGPKMNYXUHIZJT-CQSZACIVSA-N -2 0 363.363 0.987 20 0 FCADRL CS(=O)(=O)Nc1ccc(S(=O)(=O)NC2(C(=O)[O-])CC2)c(F)c1 ZINC000558590463 491437589 /nfs/dbraw/zinc/43/75/89/491437589.db2.gz LVKRLYXQBVXUFF-UHFFFAOYSA-N -3 0 352.365 0.093 20 0 FCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1cccc2c1OC(F)(F)O2)C(=O)[O-] ZINC000573783017 491454737 /nfs/dbraw/zinc/45/47/37/491454737.db2.gz XAYURGXYPANYGY-RXMQYKEDSA-N -2 0 353.255 0.214 20 0 FCADRL O=C([O-])[C@H]1CN(S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000574662743 491511775 /nfs/dbraw/zinc/51/17/75/491511775.db2.gz SUVPJOSZWWOACY-XDQVBPFNSA-N -2 0 353.396 0.980 20 0 FCADRL O=C([O-])C1CCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000577751500 491649606 /nfs/dbraw/zinc/64/96/06/491649606.db2.gz HZONQCNQLDAMBU-UHFFFAOYSA-N -2 0 362.354 0.566 20 0 FCADRL COC(=O)c1cc(F)cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000581064558 491757441 /nfs/dbraw/zinc/75/74/41/491757441.db2.gz QMOIGEVUOFPHOQ-MRVPVSSYSA-N -2 0 363.319 0.066 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)oc(=O)n3C)cc1C(=O)[O-] ZINC000590469860 491777481 /nfs/dbraw/zinc/77/74/81/491777481.db2.gz AWPDUTJLBLUKJQ-UHFFFAOYSA-N -2 0 351.340 0.969 20 0 FCADRL CC[C@@H](C)[C@@H]1CN(C(=O)c2cc(=O)[nH][n-]2)CCN1C(=O)c1cc(=O)[nH][n-]1 ZINC000612882640 491956840 /nfs/dbraw/zinc/95/68/40/491956840.db2.gz FZVKAYCOFRYFSW-SKDRFNHKSA-N -2 0 362.390 0.557 20 0 FCADRL CCc1oc(C(=O)OC)cc1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000614327644 492024571 /nfs/dbraw/zinc/02/45/71/492024571.db2.gz QPHAAESWBJBAMD-SSDOTTSWSA-N -2 0 363.344 0.225 20 0 FCADRL CO[C@H](CS(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1ccc(F)cc1 ZINC000629292041 492602309 /nfs/dbraw/zinc/60/23/09/492602309.db2.gz XNIBJGDDRHEBAI-NWDGAFQWSA-N -2 0 363.363 0.751 20 0 FCADRL Cn1nc(C(F)(F)F)cc1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000629291281 492602797 /nfs/dbraw/zinc/60/27/97/492602797.db2.gz CHZQPBCHKHBLKA-YFKPBYRVSA-N -2 0 359.282 0.035 20 0 FCADRL C[C@](CNS(=O)(=O)CCc1c(F)cccc1F)(CC(=O)[O-])C(=O)[O-] ZINC000629296383 492603463 /nfs/dbraw/zinc/60/34/63/492603463.db2.gz YSSCWNAFVZCHEV-CQSZACIVSA-N -2 0 365.354 0.992 20 0 FCADRL Cn1nncc1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1C(=O)[O-] ZINC000650397984 492637917 /nfs/dbraw/zinc/63/79/17/492637917.db2.gz KOKRIXGNLNFOJX-UHFFFAOYSA-N -2 0 351.388 0.914 20 0 FCADRL CCS(=O)(=O)c1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cnnn2C)c1 ZINC000650412922 492638182 /nfs/dbraw/zinc/63/81/82/492638182.db2.gz RRUGEOUZEGJQDD-UHFFFAOYSA-N -2 0 374.400 0.108 20 0 FCADRL C[C@H]1CN(C(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)CC[C@@H]1C(=O)[O-] ZINC000625955824 492906233 /nfs/dbraw/zinc/90/62/33/492906233.db2.gz HRSPFULUBGUMII-IUCAKERBSA-N -2 0 354.432 0.765 20 0 FCADRL O=C([O-])CC1(NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CCC1 ZINC000653321540 493094417 /nfs/dbraw/zinc/09/44/17/493094417.db2.gz TWGFTQZMHFEHCB-UHFFFAOYSA-N -2 0 362.354 0.757 20 0 FCADRL CNS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@H](OC)C(C)C)c1 ZINC000647133359 493169944 /nfs/dbraw/zinc/16/99/44/493169944.db2.gz AVXWXKAJSPRTQB-ZDUSSCGKSA-N -2 0 366.461 0.713 20 0 FCADRL COc1cc(F)c(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)c(F)c1 ZINC000681566068 493187080 /nfs/dbraw/zinc/18/70/80/493187080.db2.gz GZQSFTFPWPUNKI-CPCISQLKSA-N -2 0 351.327 0.741 20 0 FCADRL Cc1[nH]nc(C(=O)N2C[C@@H](C)N(C(=O)c3n[nH]c(C)c3[O-])[C@@H](C)C2)c1[O-] ZINC000684060812 493390906 /nfs/dbraw/zinc/39/09/06/493390906.db2.gz CNAFOIPUNJBGIY-OCAPTIKFSA-N -2 0 362.390 0.536 20 0 FCADRL C[C@@H]1CCN(S(=O)(=O)N[C@@H](Cc2ccc(CC(=O)[O-])cc2)C(=O)[O-])C1 ZINC000684561960 493419099 /nfs/dbraw/zinc/41/90/99/493419099.db2.gz QGUHMOBEZVRBAX-RISCZKNCSA-N -2 0 370.427 0.486 20 0 FCADRL O=C([O-])Cc1ccc(C[C@H](NS(=O)(=O)C[C@@H]2CCCO2)C(=O)[O-])cc1 ZINC000684561537 493419141 /nfs/dbraw/zinc/41/91/41/493419141.db2.gz GGAMNRNGHMUXFA-KBPBESRZSA-N -2 0 371.411 0.408 20 0 FCADRL CN(CC1CC1)S(=O)(=O)N[C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684562053 493419317 /nfs/dbraw/zinc/41/93/17/493419317.db2.gz NGVIEWIYDQHSDQ-CQSZACIVSA-N -2 0 370.427 0.486 20 0 FCADRL O=C([O-])Cc1ccc(C[C@H](NS(=O)(=O)N2CCCC2)C(=O)[O-])cc1 ZINC000684562456 493419344 /nfs/dbraw/zinc/41/93/44/493419344.db2.gz XNLPGXTZMDSJGA-ZDUSSCGKSA-N -2 0 356.400 0.240 20 0 FCADRL O=C([O-])[C@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CCC1 ZINC000663254510 493581488 /nfs/dbraw/zinc/58/14/88/493581488.db2.gz KCDDOGILHKAWRN-SNVBAGLBSA-N -2 0 368.371 0.215 20 0 FCADRL COc1cc(F)ccc1S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000663289248 493582182 /nfs/dbraw/zinc/58/21/82/493582182.db2.gz GYKBBXPXURBUIF-AWEZNQCLSA-N -2 0 361.347 0.774 20 0 FCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1cccc2c1OC(F)(F)O2)C(=O)[O-] ZINC000666157796 493760427 /nfs/dbraw/zinc/76/04/27/493760427.db2.gz RXXNWPXOCOZEOW-ZCFIWIBFSA-N -2 0 367.282 0.604 20 0 FCADRL CCn1cc(S(=O)(=O)[N-]c2ccc(-n3cncn3)nc2)cc1C(=O)[O-] ZINC000326828672 546509514 /nfs/dbraw/zinc/50/95/14/546509514.db2.gz ZNLPHODHPQXJFO-UHFFFAOYSA-N -2 0 362.371 0.983 20 0 FCADRL COc1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1NC(C)=O ZINC000326884943 546510352 /nfs/dbraw/zinc/51/03/52/546510352.db2.gz DFESOUSIOUROCD-SNVBAGLBSA-N -2 0 374.371 0.250 20 0 FCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000320492083 546591871 /nfs/dbraw/zinc/59/18/71/546591871.db2.gz UZZXHHZIOUVRPI-UHFFFAOYSA-N -2 0 357.262 0.745 20 0 FCADRL O=C([O-])C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)C(=O)[O-] ZINC000013028160 599870854 /nfs/dbraw/zinc/87/08/54/599870854.db2.gz OCEVSNVKZUINGU-ZETCQYMHSA-N -3 0 351.720 0.244 20 0 FCADRL O=C([O-])[C@H]1CC(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)=NN1c1ccccc1 ZINC000821483474 598055103 /nfs/dbraw/zinc/05/51/03/598055103.db2.gz DDGKDIRFBVXJEQ-BXUZGUMPSA-N -2 0 369.385 0.625 20 0 FCADRL CCCS(=O)(=O)[N-]C(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C ZINC000736498022 599617708 /nfs/dbraw/zinc/61/77/08/599617708.db2.gz NSYFMQBHXHPSHY-UHFFFAOYSA-N -2 0 368.419 0.373 20 0 FCADRL CCOC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000737146353 599727725 /nfs/dbraw/zinc/72/77/25/599727725.db2.gz LPYCIMGOEYLTPK-NEPJUHHUSA-N -2 0 370.383 0.458 20 0 FCADRL CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000320042627 599735797 /nfs/dbraw/zinc/73/57/97/599735797.db2.gz KQAKNJZWYNAURU-UHFFFAOYSA-N -2 0 360.369 0.687 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cccc1S(N)(=O)=O ZINC000390321715 599737310 /nfs/dbraw/zinc/73/73/10/599737310.db2.gz XZQZRKWOHREWSL-UHFFFAOYSA-N -2 0 360.369 0.734 20 0 FCADRL Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccn(CC(=O)[O-])n3)cc12 ZINC000738919316 599739375 /nfs/dbraw/zinc/73/93/75/599739375.db2.gz UQQVLAICFGJXMT-UHFFFAOYSA-N -2 0 350.360 0.359 20 0 FCADRL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1 ZINC000738176717 599739410 /nfs/dbraw/zinc/73/94/10/599739410.db2.gz VXESNOUYYUFCDE-UHFFFAOYSA-N -2 0 359.385 0.172 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)NCCO)cc2)o1 ZINC000739342581 599739895 /nfs/dbraw/zinc/73/98/95/599739895.db2.gz YPGHOFJJUJLPLA-UHFFFAOYSA-N -2 0 368.367 0.430 20 0 FCADRL COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-])c1 ZINC000738047103 599797092 /nfs/dbraw/zinc/79/70/92/599797092.db2.gz AYSMKUGZAHNLFX-UHFFFAOYSA-N -2 0 363.413 0.717 20 0 FCADRL O=C([O-])COc1cccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000739825857 599798892 /nfs/dbraw/zinc/79/88/92/599798892.db2.gz LDMZQNBUJKUGBG-CYBMUJFWSA-N -2 0 357.384 0.779 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000739741355 599877883 /nfs/dbraw/zinc/87/78/83/599877883.db2.gz BVVHLSQENIGHIR-NSHDSACASA-N -2 0 356.400 0.812 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)[C@H](NC(=O)[O-])C(C)C)cc1OC ZINC000738062129 599883827 /nfs/dbraw/zinc/88/38/27/599883827.db2.gz KXZPCIMYCUYNOH-GFCCVEGCSA-N -2 0 360.388 0.801 20 0 FCADRL O=C([O-])[C@@H]1CN(C(=O)CCn2c(=O)c3ccccc3[n-]c2=S)CCO1 ZINC000738547320 599943556 /nfs/dbraw/zinc/94/35/56/599943556.db2.gz KPUHRMVGTDJKAO-LBPRGKRZSA-N -2 0 363.395 0.387 20 0 FCADRL O=C([O-])CNC(=O)CNS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000739808771 600052688 /nfs/dbraw/zinc/05/26/88/600052688.db2.gz IVCAHBUOUAZIQK-UHFFFAOYSA-N -2 0 372.380 0.079 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3ccccc32)CC1 ZINC000739597576 600163101 /nfs/dbraw/zinc/16/31/01/600163101.db2.gz JQQWNAQKPALAKS-CQSZACIVSA-N -2 0 352.412 0.874 20 0 FCADRL CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)[nH]c2C(=O)[O-])c1 ZINC000737557250 600176555 /nfs/dbraw/zinc/17/65/55/600176555.db2.gz GLPNXCUKHHGZEJ-UHFFFAOYSA-N -2 0 373.412 0.730 20 0 FCADRL O=C([O-])Cc1nc([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)n[nH]1 ZINC000739899824 600180259 /nfs/dbraw/zinc/18/02/59/600180259.db2.gz VAZMECCQBHFIGA-UHFFFAOYSA-N -2 0 366.327 0.742 20 0 FCADRL O=C([O-])Cc1nc(NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)n[nH]1 ZINC000739900723 600184490 /nfs/dbraw/zinc/18/44/90/600184490.db2.gz OJCUENJJQYUUQF-UHFFFAOYSA-N -2 0 374.382 0.459 20 0 FCADRL NS(=O)(=O)c1ccc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)s1 ZINC000739189089 600205777 /nfs/dbraw/zinc/20/57/77/600205777.db2.gz HIYJKKMYEXCKLX-UHFFFAOYSA-N -2 0 362.414 0.517 20 0 FCADRL CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1 ZINC000738155584 600211418 /nfs/dbraw/zinc/21/14/18/600211418.db2.gz SHVCBAHWMRZKRH-UHFFFAOYSA-N -2 0 373.412 0.313 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CO3)c1C(=O)[O-] ZINC000738827645 600231138 /nfs/dbraw/zinc/23/11/38/600231138.db2.gz KBTMUPWZHALFCZ-UHFFFAOYSA-N -2 0 352.328 0.548 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc3oc(=O)n(C)c3c2)c1C(=O)[O-] ZINC000738337305 600235324 /nfs/dbraw/zinc/23/53/24/600235324.db2.gz JDHXWBCLQMVURD-UHFFFAOYSA-N -2 0 352.328 0.662 20 0 FCADRL C[C@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000736782887 600241721 /nfs/dbraw/zinc/24/17/21/600241721.db2.gz DNMFSKKNGAUBFA-WCQYABFASA-N -2 0 362.448 0.739 20 0 FCADRL CCOc1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)ccc1OCC(=O)[O-] ZINC000737185608 600242847 /nfs/dbraw/zinc/24/28/47/600242847.db2.gz YCTXYUOSQNYFPY-NSHDSACASA-N -2 0 373.383 0.397 20 0 FCADRL Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)nc2n1 ZINC000738315334 600247055 /nfs/dbraw/zinc/24/70/55/600247055.db2.gz UMAZPZSOSASWQZ-UHFFFAOYSA-N -2 0 367.318 0.364 20 0 FCADRL O=C([O-])[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000740303907 600360523 /nfs/dbraw/zinc/36/05/23/600360523.db2.gz NPTPQMPHJGCUGI-CQSZACIVSA-N -2 0 364.789 0.486 20 0 FCADRL CC(=O)N[C@@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccccc1 ZINC000736147024 600460248 /nfs/dbraw/zinc/46/02/48/600460248.db2.gz RUEVNJLKWZDPLL-ZDUSSCGKSA-N -2 0 356.400 0.565 20 0 FCADRL Cc1c(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])nnn1-c1ccccc1 ZINC000738260606 600461159 /nfs/dbraw/zinc/46/11/59/600461159.db2.gz UKKAYFUCRGDGPF-UHFFFAOYSA-N -2 0 352.372 0.500 20 0 FCADRL COc1cccc(CO[C@@H](C)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1 ZINC000738104765 600463471 /nfs/dbraw/zinc/46/34/71/600463471.db2.gz PPJHYRZSEFVRJZ-NSHDSACASA-N -2 0 359.400 0.911 20 0 FCADRL COC(=O)Cn1cc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cn1 ZINC000737632002 600529842 /nfs/dbraw/zinc/52/98/42/600529842.db2.gz ZXCQSFZCKFERAH-UHFFFAOYSA-N -2 0 357.344 0.765 20 0 FCADRL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccn1 ZINC000737149423 600576613 /nfs/dbraw/zinc/57/66/13/600576613.db2.gz TZPHBFQIUMNKBG-UHFFFAOYSA-N -2 0 354.344 0.789 20 0 FCADRL COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000325028670 600675098 /nfs/dbraw/zinc/67/50/98/600675098.db2.gz ILIUOBCXNTYOLO-UHFFFAOYSA-N -2 0 353.356 0.864 20 0 FCADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)c2)n[nH]1 ZINC000392285551 600676621 /nfs/dbraw/zinc/67/66/21/600676621.db2.gz VQOQQUMKIAJXFJ-UHFFFAOYSA-N -2 0 362.371 0.862 20 0 FCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)cn1 ZINC000833274523 600684057 /nfs/dbraw/zinc/68/40/57/600684057.db2.gz BHUHRUDCZDYQTD-ZDUSSCGKSA-N -2 0 367.383 0.936 20 0 FCADRL COc1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cc([N-]S(C)(=O)=O)c1OC ZINC000261911581 600864117 /nfs/dbraw/zinc/86/41/17/600864117.db2.gz WMOIQCWBTWTUJG-SECBINFHSA-N -2 0 372.399 0.622 20 0 FCADRL COc1cc(C(=O)[O-])cc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1OC ZINC000737855139 600876870 /nfs/dbraw/zinc/87/68/70/600876870.db2.gz QRWQQQQGQATJBO-UHFFFAOYSA-N -2 0 373.325 0.425 20 0 FCADRL CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000831016138 600937928 /nfs/dbraw/zinc/93/79/28/600937928.db2.gz VPIGTADBPHTFNQ-UHFFFAOYSA-N -2 0 368.392 0.925 20 0 FCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)n1 ZINC000833277401 600987806 /nfs/dbraw/zinc/98/78/06/600987806.db2.gz PSKXJYMJDYDFCC-UHFFFAOYSA-N -2 0 369.334 0.187 20 0 FCADRL CC(=O)c1[nH]c(CC(=O)[N-]S(=O)(=O)Cc2ccon2)c(C(=O)[O-])c1C ZINC000825937176 601194466 /nfs/dbraw/zinc/19/44/66/601194466.db2.gz SMXPIXXLCOPAMB-UHFFFAOYSA-N -2 0 369.355 0.401 20 0 FCADRL Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3csc(C(=O)[O-])c3)nc2n1 ZINC000832858065 601201361 /nfs/dbraw/zinc/20/13/61/601201361.db2.gz ISFBVPMMDTXSMK-UHFFFAOYSA-N -2 0 355.357 0.287 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c1F ZINC000832866097 601224478 /nfs/dbraw/zinc/22/44/78/601224478.db2.gz AYALMDQDAMVOBY-UHFFFAOYSA-N -3 0 357.319 0.914 20 0 FCADRL CS(=O)(=O)CCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000314737884 601232451 /nfs/dbraw/zinc/23/24/51/601232451.db2.gz RJPNBAXJWFHKJO-UHFFFAOYSA-N -2 0 357.356 0.376 20 0 FCADRL CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cn1 ZINC000326850095 601324611 /nfs/dbraw/zinc/32/46/11/601324611.db2.gz OMUNVMZANIIUSN-QPJJXVBHSA-N -2 0 364.383 0.528 20 0 FCADRL COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1 ZINC000831123691 601330632 /nfs/dbraw/zinc/33/06/32/601330632.db2.gz AZVBBRSKQJJCAU-DAXSKMNVSA-N -2 0 365.367 0.955 20 0 FCADRL COC[C@](C)(NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)C(=O)[O-] ZINC000831608475 601692957 /nfs/dbraw/zinc/69/29/57/601692957.db2.gz QBIKIFSURLNRRR-INIZCTEOSA-N -2 0 365.411 0.681 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1C(=O)[O-] ZINC000833053033 601785418 /nfs/dbraw/zinc/78/54/18/601785418.db2.gz NHOPIIBHEGMPFT-UHFFFAOYSA-N -2 0 358.397 0.928 20 0 FCADRL CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cnn(CC(=O)[O-])c3)cc21 ZINC000828046043 601836519 /nfs/dbraw/zinc/83/65/19/601836519.db2.gz KOPOTEBLGXQBKS-UHFFFAOYSA-N -2 0 364.383 0.998 20 0 FCADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ncn(CC(=O)[O-])n1 ZINC000831227091 601847843 /nfs/dbraw/zinc/84/78/43/601847843.db2.gz XPWCHWVRLNDPLF-UHFFFAOYSA-N -2 0 358.307 0.089 20 0 FCADRL CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736385964 601976847 /nfs/dbraw/zinc/97/68/47/601976847.db2.gz SJNKORJVUXYZOA-NSHDSACASA-N -2 0 366.436 0.847 20 0 FCADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000833346540 602156561 /nfs/dbraw/zinc/15/65/61/602156561.db2.gz KVSYGGLAAGXXID-UHFFFAOYSA-N -2 0 368.352 0.172 20 0 FCADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000827304436 602186642 /nfs/dbraw/zinc/18/66/42/602186642.db2.gz UXYQFHQJBAJQQX-ZCFIWIBFSA-N -2 0 351.178 0.760 20 0 FCADRL COC(=O)CN(CC(=O)[O-])C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000831170582 602299385 /nfs/dbraw/zinc/29/93/85/602299385.db2.gz REOXENITYUBKKZ-UHFFFAOYSA-N -2 0 351.290 0.417 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1C(N)=O ZINC000761908001 602319779 /nfs/dbraw/zinc/31/97/79/602319779.db2.gz JGQOBCFWYJGISD-UHFFFAOYSA-N -2 0 369.330 0.827 20 0 FCADRL COc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1C(N)=O ZINC000832654799 602320083 /nfs/dbraw/zinc/32/00/83/602320083.db2.gz ZAOJGFHERNOMCQ-UHFFFAOYSA-N -2 0 355.328 0.590 20 0 FCADRL O=C([O-])NCCC(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000832599242 603487514 /nfs/dbraw/zinc/48/75/14/603487514.db2.gz HETMOKSHAOLUSO-UHFFFAOYSA-N -2 0 356.335 0.474 20 0 FCADRL CN1CCCc2ccc(S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-])cc21 ZINC000828488776 603924095 /nfs/dbraw/zinc/92/40/95/603924095.db2.gz PKWBDCMMFLYVAA-UHFFFAOYSA-N -2 0 355.416 0.922 20 0 FCADRL CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)c1 ZINC000832725881 604338842 /nfs/dbraw/zinc/33/88/42/604338842.db2.gz ZEAFVQGPVQOOHL-UHFFFAOYSA-N -2 0 356.381 0.984 20 0 FCADRL CC(C)[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000736373965 604373883 /nfs/dbraw/zinc/37/38/83/604373883.db2.gz HYHMZXHCOFQRRM-LBPRGKRZSA-N -2 0 358.372 0.555 20 0 FCADRL CC(C)OC[C@@H](C(=O)[O-])N(C)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000827016370 604515195 /nfs/dbraw/zinc/51/51/95/604515195.db2.gz OAAZFLDDUIZFDN-LBPRGKRZSA-N -2 0 355.416 0.819 20 0 FCADRL COCCN(CC(=O)[O-])S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000833723516 604879948 /nfs/dbraw/zinc/87/99/48/604879948.db2.gz ITGINNGJZURWIJ-UHFFFAOYSA-N -2 0 353.374 0.177 20 0 FCADRL CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cn1C ZINC000833687546 605050103 /nfs/dbraw/zinc/05/01/03/605050103.db2.gz TZKPABLUGHRXCT-UHFFFAOYSA-N -2 0 352.372 0.621 20 0 FCADRL CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833397861 605290078 /nfs/dbraw/zinc/29/00/78/605290078.db2.gz NUMDPXLFYYSOJH-VIFPVBQESA-N -2 0 362.429 0.802 20 0 FCADRL O=C([N-]NC(=S)NC1CCOCC1)c1nn(-c2ccccc2)cc1[O-] ZINC000057953683 666560344 /nfs/dbraw/zinc/56/03/44/666560344.db2.gz RKKHLGOSGBMTQJ-UHFFFAOYSA-N -2 0 361.427 0.866 20 0 FCADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000759397970 667804637 /nfs/dbraw/zinc/80/46/37/667804637.db2.gz WYZCAIUPAZXHFI-UHFFFAOYSA-N -2 0 370.353 0.299 20 0 FCADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000759456625 667806455 /nfs/dbraw/zinc/80/64/55/667806455.db2.gz PAUANXXSZNPTHF-QMMMGPOBSA-N -2 0 360.354 0.459 20 0 FCADRL Cc1[nH]nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1C(N)=O ZINC000760514476 667852294 /nfs/dbraw/zinc/85/22/94/667852294.db2.gz CVWCLIACURQMJF-UHFFFAOYSA-N -2 0 360.298 0.594 20 0 FCADRL Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc(C(=O)[O-])n(C)n3)cc12 ZINC000776426027 668260854 /nfs/dbraw/zinc/26/08/54/668260854.db2.gz GHXXAAGUBSAZIZ-UHFFFAOYSA-N -2 0 350.360 0.509 20 0 FCADRL COC(=O)c1ccc(F)c(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000776437233 668261923 /nfs/dbraw/zinc/26/19/23/668261923.db2.gz DGIDYOOSHPQQFC-VIFPVBQESA-N -2 0 363.319 0.209 20 0 FCADRL COC(=O)c1ccc(F)c(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000776635808 668281383 /nfs/dbraw/zinc/28/13/83/668281383.db2.gz UCPJGCHZPSYPSK-MRVPVSSYSA-N -2 0 363.319 0.066 20 0 FCADRL C[C@](CNS(=O)(=O)C1=Cc2ccccc2OC1)(CC(=O)[O-])C(=O)[O-] ZINC000790618578 668878729 /nfs/dbraw/zinc/87/87/29/668878729.db2.gz XRALFYOSGGXDAH-OAHLLOKOSA-N -2 0 355.368 0.905 20 0 FCADRL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)c1 ZINC000820405218 669092189 /nfs/dbraw/zinc/09/21/89/669092189.db2.gz IJCVIRJPXZLHAL-SAHAZLINSA-N -2 0 361.441 0.285 20 0 FCADRL O=C([N-]O[C@H]1CCCCO1)[C@H]1CC[C@@H](C(=O)[N-]O[C@H]2CCCCO2)O1 ZINC000825026868 669432401 /nfs/dbraw/zinc/43/24/01/669432401.db2.gz OSKCDINYICETBY-CRWXNKLISA-N -2 0 358.391 0.683 20 0 FCADRL CC(C)c1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)nn1C ZINC000827107073 669541361 /nfs/dbraw/zinc/54/13/61/669541361.db2.gz JXZHMSJHYNDEGF-UHFFFAOYSA-N -2 0 358.420 0.315 20 0 FCADRL CC(=O)N1CCC(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000844890378 670952308 /nfs/dbraw/zinc/95/23/08/670952308.db2.gz ARESRUZWMUHRPF-UHFFFAOYSA-N -2 0 362.354 0.952 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cnsn1 ZINC000851701811 671461014 /nfs/dbraw/zinc/46/10/14/671461014.db2.gz IYJJGZMEBVBUPN-CAHLUQPWSA-N -2 0 352.294 0.274 20 0 FCADRL Cc1nccc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1 ZINC000851704299 671462461 /nfs/dbraw/zinc/46/24/61/671462461.db2.gz VDTZVZOWSILSQU-WPRPVWTQSA-N -2 0 360.292 0.521 20 0 FCADRL Cc1nccnc1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852958051 671533749 /nfs/dbraw/zinc/53/37/49/671533749.db2.gz BVNWUFIIRLFWKO-WPRPVWTQSA-N -2 0 360.292 0.521 20 0 FCADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1ccccc1S(=O)(=O)N1CCCCC1 ZINC000854610177 671589098 /nfs/dbraw/zinc/58/90/98/671589098.db2.gz BSDWXLITNGQWHL-UHFFFAOYSA-N -2 0 367.387 0.248 20 0 FCADRL COc1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)cc1OC ZINC000863951781 672163544 /nfs/dbraw/zinc/16/35/44/672163544.db2.gz BVUUPAAZMNZSDG-UHFFFAOYSA-N -2 0 355.368 0.930 20 0 FCADRL Cc1ccnc(-n2cc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)cn2)c1 ZINC000863955868 672165629 /nfs/dbraw/zinc/16/56/29/672165629.db2.gz BQAJQPGBNRYJLI-ZDUSSCGKSA-N -2 0 366.399 0.737 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000863955644 672165686 /nfs/dbraw/zinc/16/56/86/672165686.db2.gz SXLZJXYWWNNSDY-LLVKDONJSA-N -2 0 363.413 0.252 20 0 FCADRL COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000863958824 672167217 /nfs/dbraw/zinc/16/72/17/672167217.db2.gz LCRNVRWPIAGKCK-UWVGGRQHSA-N -2 0 373.383 0.407 20 0 FCADRL COc1cc(OC)c(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)c(OC)c1 ZINC000863959500 672167454 /nfs/dbraw/zinc/16/74/54/672167454.db2.gz HAMOVLVSBFEDLR-UHFFFAOYSA-N -2 0 373.383 0.772 20 0 FCADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000863959333 672167480 /nfs/dbraw/zinc/16/74/80/672167480.db2.gz AQEOBEZRWAHFDV-LLVKDONJSA-N -2 0 368.367 0.074 20 0 FCADRL COC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])s1 ZINC000863959626 672167710 /nfs/dbraw/zinc/16/77/10/672167710.db2.gz LBELFKNSPSJWTE-UHFFFAOYSA-N -2 0 364.401 0.316 20 0 FCADRL COc1c(S(=O)(=O)[N-]C(=O)c2cc(C)cc(C(=O)[O-])c2)c(C)nn1C ZINC000863960262 672168045 /nfs/dbraw/zinc/16/80/45/672168045.db2.gz YSOQVXZMZKYAEH-UHFFFAOYSA-N -2 0 367.383 0.862 20 0 FCADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000863961750 672168907 /nfs/dbraw/zinc/16/89/07/672168907.db2.gz UNAIQKPMZONQTM-UHFFFAOYSA-N -2 0 363.417 0.797 20 0 FCADRL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000863962214 672169224 /nfs/dbraw/zinc/16/92/24/672169224.db2.gz WDRACIGSOLMNNI-ZJUUUORDSA-N -2 0 351.421 0.911 20 0 FCADRL NC(=O)c1ccccc1CS(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC=CC1 ZINC000863962784 672169553 /nfs/dbraw/zinc/16/95/53/672169553.db2.gz XNAFYANBGHWKJQ-UHFFFAOYSA-N -2 0 352.368 0.153 20 0 FCADRL COC(=O)Cc1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)cc1F ZINC000863963151 672169914 /nfs/dbraw/zinc/16/99/14/672169914.db2.gz MAXKSVXRZBOFSE-UHFFFAOYSA-N -2 0 373.358 0.601 20 0 FCADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c1 ZINC000863964684 672170849 /nfs/dbraw/zinc/17/08/49/672170849.db2.gz ZUJMOUQBURAYEE-GFCCVEGCSA-N -2 0 365.367 0.661 20 0 FCADRL O=Cc1c[nH]c(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC000874968777 672811710 /nfs/dbraw/zinc/81/17/10/672811710.db2.gz SHOBEPKOLWKTGY-WCBMZHEXSA-N -2 0 361.276 0.564 20 0 FCADRL CN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000013059879 675313668 /nfs/dbraw/zinc/31/36/68/675313668.db2.gz BNZAPETUCMJLCL-UHFFFAOYSA-N -2 0 352.162 0.852 20 0 FCADRL CC[C@H](NC(=O)c1cnc(I)c([O-])c1)C(=O)[O-] ZINC000901704691 675808303 /nfs/dbraw/zinc/80/83/03/675808303.db2.gz SZERYGQWKOJERS-LURJTMIESA-N -2 0 350.112 0.985 20 0 FCADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cccnc1F ZINC000902065412 675824524 /nfs/dbraw/zinc/82/45/24/675824524.db2.gz LTRQPQAOHZZFTR-DTWKUNHWSA-N -2 0 363.267 0.957 20 0 FCADRL C[C@H](Cn1cccn1)NC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000046466122 1196688498 /nfs/dbraw/zinc/68/84/98/1196688498.db2.gz QZQRKARGOGFWJA-GFCCVEGCSA-N -2 0 369.385 0.807 20 0 FCADRL COc1ccc([C@@]2(C)NC(=O)N([N-]C(=O)c3n[nH]c(C)c3[O-])C2=O)cc1 ZINC000861709058 1209875750 /nfs/dbraw/zinc/87/57/50/1209875750.db2.gz CZBJOSXVVGQTHO-MRXNPFEDSA-N -2 0 359.342 0.544 20 0 FCADRL COCCOCCNC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000047050267 1211934992 /nfs/dbraw/zinc/93/49/92/1211934992.db2.gz ATBDIPAXHWANRB-UHFFFAOYSA-N -2 0 363.374 0.185 20 0 FCADRL COC(=O)c1cc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(OC)c1 ZINC001223485600 1225708815 /nfs/dbraw/zinc/70/88/15/1225708815.db2.gz ZBENWHRFNOUOOM-WCQYABFASA-N -2 0 370.310 0.061 20 0 FCADRL CC(=O)Nc1ccc(OCCOC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001224403563 1225778760 /nfs/dbraw/zinc/77/87/60/1225778760.db2.gz XGNQBISBIWXOCQ-JSGCOSHPSA-N -2 0 369.326 0.103 20 0 FCADRL O=C([O-])C[C@@H](C(=O)OCCCC(=O)OCc1ccccc1)[C@H](O)C(=O)[O-] ZINC001224736510 1225791142 /nfs/dbraw/zinc/79/11/42/1225791142.db2.gz NCTAZIMMFXONDK-DOMZBBRYSA-N -2 0 368.338 0.590 20 0 FCADRL CCN(CC)C(=O)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225319906 1225806855 /nfs/dbraw/zinc/80/68/55/1225806855.db2.gz VHLLKAHFIMLGEY-SMDDNHRTSA-N -2 0 367.354 0.610 20 0 FCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(=O)[nH]c(-c2ccccc2)n1)[C@@H](O)C(=O)[O-] ZINC001226184645 1225835063 /nfs/dbraw/zinc/83/50/63/1225835063.db2.gz IHNOTQDBECQFQA-NOZJJQNGSA-N -2 0 362.294 0.291 20 0 FCADRL CCOC(=O)CCc1cccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001229519562 1226015675 /nfs/dbraw/zinc/01/56/75/1226015675.db2.gz GMMGPYQTMVPDFO-DOMZBBRYSA-N -2 0 368.338 0.624 20 0 FCADRL CC(C)(C)OC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc1 ZINC001229888752 1226038933 /nfs/dbraw/zinc/03/89/33/1226038933.db2.gz VYZJISBFNVPNOU-SKDRFNHKSA-N -2 0 369.326 0.479 20 0 FCADRL CC(=O)Nc1cccc(C(C)=O)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001230927235 1226091516 /nfs/dbraw/zinc/09/15/16/1226091516.db2.gz JCLHSEHYAIHAKR-ZWNOBZJWSA-N -2 0 367.310 0.289 20 0 FCADRL COC(=O)c1cccc(C(C)=O)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001231070724 1226098250 /nfs/dbraw/zinc/09/82/50/1226098250.db2.gz WSDVTLYKSYTIIR-PWSUYJOCSA-N -2 0 368.294 0.118 20 0 FCADRL CCCNC(=O)[C@@H](C)NC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000043797441 1245295255 /nfs/dbraw/zinc/29/52/55/1245295255.db2.gz ZZOUPFWBKOVSBD-LLVKDONJSA-N -2 0 374.401 0.437 20 0 FCADRL NC(=O)c1cc2ccccc2cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001233569911 1259552533 /nfs/dbraw/zinc/55/25/33/1259552533.db2.gz QDXJWOJURVOKDB-SMDDNHRTSA-N -2 0 361.306 0.381 20 0 FCADRL CN(C(N)=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)c1 ZINC001578955911 1276500442 /nfs/dbraw/zinc/50/04/42/1276500442.db2.gz RICBRCIZXRGFIZ-UHFFFAOYSA-N -2 0 374.386 0.577 20 0 FCADRL CN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@@H]1CCCCN(C)C1=O ZINC001579360225 1277234594 /nfs/dbraw/zinc/23/45/94/1277234594.db2.gz BHIMRCJXGFPOFK-GFCCVEGCSA-N -2 0 371.405 0.058 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CSC[C@H]1CCCCO1 ZINC001603188194 1287325067 /nfs/dbraw/zinc/32/50/67/1287325067.db2.gz MTDUKIZORCRGTI-HBNTYKKESA-N -2 0 353.462 0.844 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(S(C)(=O)=O)cs1 ZINC001603188635 1287325434 /nfs/dbraw/zinc/32/54/34/1287325434.db2.gz ORRXISLMAGOGIS-RQJHMYQMSA-N -2 0 369.442 0.320 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC001603189693 1287326951 /nfs/dbraw/zinc/32/69/51/1287326951.db2.gz SLUZEMCYFYFIKY-FXQIFTODSA-N -2 0 374.337 0.095 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc2[nH]c(=O)n(C3CC3)c2c1 ZINC001603203550 1287328955 /nfs/dbraw/zinc/32/89/55/1287328955.db2.gz AIIBJDJCEVAIRK-SSDOTTSWSA-N -2 0 353.356 0.610 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001603203969 1287329104 /nfs/dbraw/zinc/32/91/04/1287329104.db2.gz FUWPLWYFONHBAK-LURJTMIESA-N -2 0 365.289 0.886 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1 ZINC001603202249 1287329292 /nfs/dbraw/zinc/32/92/92/1287329292.db2.gz VOUJDPCYSSKKOD-WPRPVWTQSA-N -2 0 364.420 0.599 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001603202256 1287329377 /nfs/dbraw/zinc/32/93/77/1287329377.db2.gz WOKKQCHMMHDXRA-AAEUAGOBSA-N -2 0 368.411 0.458 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)COc1ccc(N2CCCC2=O)cc1 ZINC001603204332 1287329912 /nfs/dbraw/zinc/32/99/12/1287329912.db2.gz NGULDXNJWUGNGT-SNVBAGLBSA-N -2 0 370.383 0.111 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(OC2CCOCC2)cc1 ZINC001603204636 1287331158 /nfs/dbraw/zinc/33/11/58/1287331158.db2.gz QSMJBUQBJPIBMD-JTQLQIEISA-N -2 0 357.384 0.777 20 0 FCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1ccccc1Br ZINC001603205544 1287331418 /nfs/dbraw/zinc/33/14/18/1287331418.db2.gz XAVVIYSQYIBPEC-SSDOTTSWSA-N -2 0 350.190 0.911 20 0 FCADRL CC(C)(C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)c1cccnc1 ZINC001603238973 1287337773 /nfs/dbraw/zinc/33/77/73/1287337773.db2.gz BOPZIKNGZGBUQY-UHFFFAOYSA-N -2 0 355.416 0.517 20 0 FCADRL CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)[N-]S(=O)(=O)CC(=O)[O-])C1 ZINC001603397274 1287367392 /nfs/dbraw/zinc/36/73/92/1287367392.db2.gz TVEYVAKSNPQTFP-PSASIEDQSA-N -2 0 368.383 0.112 20 0 FCADRL CC(C)(CS(=O)(=O)N1Cc2cc(O)ccc2C[C@@H]1C(=O)[O-])C(=O)[O-] ZINC001603660804 1287460732 /nfs/dbraw/zinc/46/07/32/1287460732.db2.gz RCEQBMBKRQMFMR-GFCCVEGCSA-N -2 0 357.384 0.644 20 0 FCADRL C[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)C1 ZINC001603752851 1287487542 /nfs/dbraw/zinc/48/75/42/1287487542.db2.gz ZJQYGBXGHWPVGC-CQSZACIVSA-N -2 0 369.378 0.881 20 0 FCADRL O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cc(Cl)cc(Cl)c1[O-] ZINC001582528771 1281709255 /nfs/dbraw/zinc/70/92/55/1281709255.db2.gz MTEBMJZVGFZBBN-UHFFFAOYSA-N -2 0 369.172 0.901 20 0 FCADRL O=C(c1ncccc1O)N1CCN(c2ncc(-c3nn[nH]n3)cc2F)CC1 ZINC001582751742 1281976596 /nfs/dbraw/zinc/97/65/96/1281976596.db2.gz UXNUQAAQYZZHJF-UHFFFAOYSA-N -2 0 370.348 0.464 20 0 FCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001603971122 1287546857 /nfs/dbraw/zinc/54/68/57/1287546857.db2.gz CIOWMDRFUMJEJC-APPZFPTMSA-N -2 0 356.297 0.022 20 0 FCADRL C[C@H](CS(=O)(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-])C(=O)[O-] ZINC001604209180 1287591612 /nfs/dbraw/zinc/59/16/12/1287591612.db2.gz GLWMTQSIFTVHTQ-AMIZOPFISA-N -2 0 372.374 0.943 20 0 FCADRL C[C@@H](NC(=O)CC(C)(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001604270665 1287596094 /nfs/dbraw/zinc/59/60/94/1287596094.db2.gz IXFOJWXKQVPUBQ-MRVPVSSYSA-N -2 0 360.388 0.724 20 0 FCADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[nH]n1 ZINC001589417376 1282873466 /nfs/dbraw/zinc/87/34/66/1282873466.db2.gz AJBXLPPGQMFTAS-NSHDSACASA-N -2 0 367.387 0.170 20 0 FCADRL C[C@H](CC(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@@H]1CCCO1 ZINC001589795949 1283011027 /nfs/dbraw/zinc/01/10/27/1283011027.db2.gz QLGJZWCSWKJHPB-SKDRFNHKSA-N -2 0 373.373 0.863 20 0 FCADRL C[C@H]1CCC[C@H]1CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001590247019 1283376766 /nfs/dbraw/zinc/37/67/66/1283376766.db2.gz IBVPENVFAJJMIJ-UWVGGRQHSA-N -2 0 350.404 0.893 20 0 FCADRL C[C@@H]1COCC[C@H]1C(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001590323648 1283465261 /nfs/dbraw/zinc/46/52/61/1283465261.db2.gz KUGOQRNNUTYWSZ-PSASIEDQSA-N -2 0 359.346 0.331 20 0 FCADRL CCN(Cc1cnn(C)c1)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001590721502 1283748880 /nfs/dbraw/zinc/74/88/80/1283748880.db2.gz NVCRGKQMCGSDAC-UHFFFAOYSA-N -2 0 354.378 0.371 20 0 FCADRL CC1(/C=C/C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCOCC1 ZINC001604569144 1287667000 /nfs/dbraw/zinc/66/70/00/1287667000.db2.gz QSHBSWLPJSRNPL-GORDUTHDSA-N -2 0 360.432 0.517 20 0 FCADRL CO[C@H]1CN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)[C@](C)(C(=O)[O-])C1 ZINC001591362909 1284500108 /nfs/dbraw/zinc/50/01/08/1284500108.db2.gz RKNGLLXPPRIBLO-KRTXAFLBSA-N -2 0 373.416 0.181 20 0 FCADRL Cc1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[nH]n2)ccc1C(=O)[O-] ZINC001592067846 1285107087 /nfs/dbraw/zinc/10/70/87/1285107087.db2.gz UKOIHGOYLLYLGZ-UHFFFAOYSA-N -2 0 363.359 0.408 20 0 FCADRL C[C@@H]1CN(S(=O)(=O)Cc2ccccc2C(=O)[O-])[C@@H](C(=O)[O-])[C@H](C)O1 ZINC001604802566 1287785994 /nfs/dbraw/zinc/78/59/94/1287785994.db2.gz HJCVPBMMSHCJAQ-GBIKHYSHSA-N -2 0 357.384 0.777 20 0 FCADRL Cn1cnc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2-c2nnn[n-]2)c1Cl ZINC001592589300 1285515483 /nfs/dbraw/zinc/51/54/83/1285515483.db2.gz ZVMGQPGBTCMCHR-UHFFFAOYSA-N -2 0 369.798 0.655 20 0 FCADRL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001593275502 1286058448 /nfs/dbraw/zinc/05/84/48/1286058448.db2.gz FCHLYKONHBXQTR-JTQLQIEISA-N -2 0 373.341 0.677 20 0 FCADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001593278054 1286060628 /nfs/dbraw/zinc/06/06/28/1286060628.db2.gz OIXFARDIDVXZIX-UHFFFAOYSA-N -2 0 367.387 0.458 20 0 FCADRL O=C([O-])[C@H](CNS(=O)(=O)c1ccsc1-c1nnn[n-]1)CC1CC1 ZINC001593276970 1286060685 /nfs/dbraw/zinc/06/06/85/1286060685.db2.gz WBFNPAAZHDNZBX-QMMMGPOBSA-N -2 0 357.417 0.707 20 0 FCADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)cc1 ZINC001593279299 1286062047 /nfs/dbraw/zinc/06/20/47/1286062047.db2.gz CWVWZUHWTYIZBW-UHFFFAOYSA-N -2 0 360.355 0.690 20 0 FCADRL O=C([O-])[C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001593279455 1286063290 /nfs/dbraw/zinc/06/32/90/1286063290.db2.gz LWWBHFSQIIETSK-BDAKNGLRSA-N -2 0 355.376 0.772 20 0 FCADRL O=C([O-])c1ccc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001593282952 1286064496 /nfs/dbraw/zinc/06/44/96/1286064496.db2.gz IILUTQFEASQXJX-UHFFFAOYSA-N -2 0 363.355 0.679 20 0 FCADRL O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC001594959816 1286237071 /nfs/dbraw/zinc/23/70/71/1286237071.db2.gz GPGLLFZSYJVAAC-SECBINFHSA-N -2 0 351.739 0.509 20 0 FCADRL Cc1c([C@H](NS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C(=O)[O-])cnn1C ZINC001600009025 1286423233 /nfs/dbraw/zinc/42/32/33/1286423233.db2.gz GUOFIYATEWIRQO-USWWRNFRSA-N -2 0 359.404 0.417 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cccc1-n1cnnn1 ZINC001600054471 1286433190 /nfs/dbraw/zinc/43/31/90/1286433190.db2.gz BBLIGXMBVAQFIN-UHFFFAOYSA-N -2 0 363.359 0.053 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cnn1CC(=O)[O-] ZINC001600055183 1286433881 /nfs/dbraw/zinc/43/38/81/1286433881.db2.gz ZNDQREXJEGVXPH-UHFFFAOYSA-N -3 0 353.356 0.704 20 0 FCADRL Cc1c([N-]S(=O)(=O)c2cccc3c2COC3=O)cnn1CC(=O)[O-] ZINC001600055172 1286434084 /nfs/dbraw/zinc/43/40/84/1286434084.db2.gz YUGXHUGCDQQZLO-UHFFFAOYSA-N -2 0 351.340 0.747 20 0 FCADRL Cc1c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nn2)coc1C(=O)N(C)C ZINC001600058408 1286434351 /nfs/dbraw/zinc/43/43/51/1286434351.db2.gz VJLYETIZDVOWFA-UHFFFAOYSA-N -2 0 354.344 0.579 20 0 FCADRL Cc1cc(C(N)=O)cc(S(=O)(=O)[N-]c2ccn(C(C)(C)C(=O)[O-])n2)c1 ZINC001600145219 1286446855 /nfs/dbraw/zinc/44/68/55/1286446855.db2.gz PDQKKOLFUHPKGS-UHFFFAOYSA-N -2 0 366.399 0.911 20 0 FCADRL Cc1cc(C)n(C[C@@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2)C(=O)[O-])n1 ZINC001600178842 1286451084 /nfs/dbraw/zinc/45/10/84/1286451084.db2.gz MRHCHRNLZZFEEZ-CYBMUJFWSA-N -2 0 367.383 0.630 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC[C@H](C)C[C@@H]3C(=O)[O-])cc2=O)n1 ZINC001600181747 1286451168 /nfs/dbraw/zinc/45/11/68/1286451168.db2.gz NVYILSMEJPMECO-TVQRCGJNSA-N -2 0 359.386 0.898 20 0 FCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC[C@H](C)C[C@H]3C(=O)[O-])cc2=O)n1 ZINC001600181748 1286451285 /nfs/dbraw/zinc/45/12/85/1286451285.db2.gz NVYILSMEJPMECO-ZANVPECISA-N -2 0 359.386 0.898 20 0 FCADRL Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC001600180778 1286451362 /nfs/dbraw/zinc/45/13/62/1286451362.db2.gz SKOJPLWGRBCCKA-MWLCHTKSSA-N -2 0 368.415 0.823 20 0 FCADRL Cc1cc(COCC(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)on1 ZINC001600215270 1286453435 /nfs/dbraw/zinc/45/34/35/1286453435.db2.gz QPQWFYXYFSCNBR-UHFFFAOYSA-N -2 0 368.367 0.844 20 0 FCADRL Cc1cc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001600295630 1286471564 /nfs/dbraw/zinc/47/15/64/1286471564.db2.gz MCMFPWXJAJSKFO-HNNXBMFYSA-N -3 0 371.367 0.633 20 0 FCADRL Cc1ccc(-n2[n-]c(C(=O)NCCn3cc(C(=O)[O-])nn3)cc2=O)cc1 ZINC001600321397 1286477761 /nfs/dbraw/zinc/47/77/61/1286477761.db2.gz ICWZGHUMUNXUPW-UHFFFAOYSA-N -2 0 356.342 0.194 20 0 FCADRL Cc1ccc([C@H](CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)C(=O)[O-])cc1 ZINC001600376585 1286482005 /nfs/dbraw/zinc/48/20/05/1286482005.db2.gz AAANBRCWUAQXHL-HNNXBMFYSA-N -2 0 366.381 0.981 20 0 FCADRL Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cc1C ZINC001600402804 1286483242 /nfs/dbraw/zinc/48/32/42/1286483242.db2.gz TWJHADQAHLYIFI-GFCCVEGCSA-N -2 0 354.384 0.872 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c(C(=O)[O-])c1 ZINC001600475959 1286492735 /nfs/dbraw/zinc/49/27/35/1286492735.db2.gz RBZVAGRNDKFJGG-GXSJLCMTSA-N -3 0 371.367 0.489 20 0 FCADRL Cc1[nH]nc(S(=O)(=O)NCCc2ccc(CC(=O)[O-])cc2)c1C(=O)[O-] ZINC001600673716 1286524719 /nfs/dbraw/zinc/52/47/19/1286524719.db2.gz MBUGZODWRCWYSN-UHFFFAOYSA-N -2 0 367.383 0.564 20 0 FCADRL Cc1nc(S(=O)(=O)[N-][C@](C)(CO)C(=O)[O-])sc1Br ZINC001600719619 1286532363 /nfs/dbraw/zinc/53/23/63/1286532363.db2.gz UHLWUWRJRFZINY-MRVPVSSYSA-N -2 0 359.223 0.328 20 0 FCADRL Cc1nn(C)c([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c1C(=O)[O-] ZINC001600775422 1286542300 /nfs/dbraw/zinc/54/23/00/1286542300.db2.gz YYQOKLQERXFKFX-SECBINFHSA-N -2 0 355.376 0.385 20 0 FCADRL Cc1nn2cc(S(=O)(=O)[N-]c3cnn(CC(=O)[O-])c3)cnc2c1Cl ZINC001600790856 1286545672 /nfs/dbraw/zinc/54/56/72/1286545672.db2.gz RAROIPCJHBMGLY-UHFFFAOYSA-N -2 0 370.778 0.773 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)c1cn(C2CCC2)nn1 ZINC001600836022 1286553320 /nfs/dbraw/zinc/55/33/20/1286553320.db2.gz FOSLIDUQFYYZGC-UHFFFAOYSA-N -2 0 354.344 0.721 20 0 FCADRL Cn1c(=O)n(C)c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c(O)cc21 ZINC001600894374 1286563656 /nfs/dbraw/zinc/56/36/56/1286563656.db2.gz GYTHPYSTSHLHEO-UHFFFAOYSA-N -2 0 367.339 0.675 20 0 FCADRL Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])nn3)ccc21 ZINC001600898147 1286565622 /nfs/dbraw/zinc/56/56/22/1286565622.db2.gz PRHYRDXMZCOFMU-UHFFFAOYSA-N -2 0 350.312 0.421 20 0 FCADRL Cn1cc(C[C@@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2)C(=O)[O-])cn1 ZINC001600947766 1286577634 /nfs/dbraw/zinc/57/76/34/1286577634.db2.gz NYGWSFMKJNBFDR-GFCCVEGCSA-N -2 0 353.356 0.093 20 0 FCADRL Cn1cc(C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)C(=O)[O-])cn1 ZINC001600948495 1286577766 /nfs/dbraw/zinc/57/77/66/1286577766.db2.gz UUPPPMWQMPXWEF-VIFPVBQESA-N -2 0 359.385 0.154 20 0 FCADRL Cn1cc(C[C@H](NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)C(=O)[O-])cn1 ZINC001600947696 1286577820 /nfs/dbraw/zinc/57/78/20/1286577820.db2.gz NKFIBPMTHCRUQX-ZDUSSCGKSA-N -2 0 367.383 0.234 20 0 FCADRL Cn1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)c(C(N)=O)n1 ZINC001600966549 1286583117 /nfs/dbraw/zinc/58/31/17/1286583117.db2.gz LXWZHJBXPYDEAG-UHFFFAOYSA-N -2 0 366.399 0.682 20 0 FCADRL Cn1nc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c2c1CCCC2 ZINC001600998669 1286593611 /nfs/dbraw/zinc/59/36/11/1286593611.db2.gz JGSLPKGIWSRGOC-UHFFFAOYSA-N -2 0 353.356 0.709 20 0 FCADRL Cn1ncc(C(=O)[O-])c1NC(=O)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001601021470 1286602488 /nfs/dbraw/zinc/60/24/88/1286602488.db2.gz HBKRWIDDTSJYRW-KRWDZBQOSA-N -2 0 374.353 0.216 20 0 FCADRL Cn1nccc1CCC(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001601035823 1286614063 /nfs/dbraw/zinc/61/40/63/1286614063.db2.gz TZXMZFFUGUPTFS-UHFFFAOYSA-N -2 0 352.372 0.524 20 0 FCADRL Cn1nnc2c1nccc2C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001601041197 1286619585 /nfs/dbraw/zinc/61/95/85/1286619585.db2.gz WDNPOQASEJIUBB-UHFFFAOYSA-N -2 0 367.368 0.242 20 0 FCADRL O=C([O-])c1cn(CCNC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)nn1 ZINC001601244413 1286707056 /nfs/dbraw/zinc/70/70/56/1286707056.db2.gz MZXQZMHUKZTCDN-UHFFFAOYSA-N -2 0 358.354 0.352 20 0 FCADRL O=C([O-])[C@@H]1C[C@H](NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)[C@H]2C[C@H]21 ZINC001601376590 1286736056 /nfs/dbraw/zinc/73/60/56/1286736056.db2.gz VPQGZRNUUMKGQR-XZUYRWCXSA-N -2 0 359.407 0.911 20 0 FCADRL O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)c1nc[n-]c(=O)c1Br ZINC001601413305 1286742373 /nfs/dbraw/zinc/74/23/73/1286742373.db2.gz WOVLXFZXFTVMQH-NKWVEPMBSA-N -2 0 360.164 0.697 20 0 FCADRL O=C([O-])[C@@H](CO)NC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC001601419842 1286743063 /nfs/dbraw/zinc/74/30/63/1286743063.db2.gz NQDLJZKDRMOLTN-MRVPVSSYSA-N -2 0 356.278 0.123 20 0 FCADRL O=C([O-])[C@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC001601420188 1286743329 /nfs/dbraw/zinc/74/33/29/1286743329.db2.gz UAHFUHKRQMGAMH-NSHDSACASA-N -2 0 370.408 0.724 20 0 FCADRL O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)C1 ZINC001601761919 1286826917 /nfs/dbraw/zinc/82/69/17/1286826917.db2.gz ATNJOSMZRPUSLW-JGVFFNPUSA-N -2 0 364.276 0.366 20 0 FCADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC001601804988 1286839207 /nfs/dbraw/zinc/83/92/07/1286839207.db2.gz VJGLVXBCAKLHKQ-IJLUTSLNSA-N -2 0 371.415 0.540 20 0 FCADRL O=C([O-])[C@H]1c2ccccc2OCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001601871851 1286860129 /nfs/dbraw/zinc/86/01/29/1286860129.db2.gz LGBCKCKPPAERHG-CQSZACIVSA-N -2 0 369.337 0.118 20 0 FCADRL O=C([O-])C=Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1 ZINC001601883713 1286862005 /nfs/dbraw/zinc/86/20/05/1286862005.db2.gz ONWFRABMPDUIHA-YIALFULDSA-N -2 0 365.367 0.482 20 0 FCADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC001601915381 1286871353 /nfs/dbraw/zinc/87/13/53/1286871353.db2.gz WEUNAAZGCIPPKL-CQSZACIVSA-N -3 0 357.340 0.325 20 0 FCADRL O=C([O-])CCC1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC001601976931 1286891655 /nfs/dbraw/zinc/89/16/55/1286891655.db2.gz QJLDSLAVHVOINA-ZDUSSCGKSA-N -2 0 354.403 0.707 20 0 FCADRL O=C([O-])CCCS(=O)(=O)N[C@H](CN1CCCc2ccccc21)C(=O)[O-] ZINC001601999282 1286893166 /nfs/dbraw/zinc/89/31/66/1286893166.db2.gz PVHKRNGBMCUHSV-CYBMUJFWSA-N -2 0 370.427 0.677 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC001602027326 1286907468 /nfs/dbraw/zinc/90/74/68/1286907468.db2.gz BCYKXUKGWDZLHP-UHFFFAOYSA-N -2 0 358.397 0.655 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)Cc1ccccc1Br ZINC001602028078 1286908880 /nfs/dbraw/zinc/90/88/80/1286908880.db2.gz NPGDQOWZKSFKMU-UHFFFAOYSA-N -2 0 350.190 0.912 20 0 FCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)c1c(C(F)(F)F)nc2n1CCCC2 ZINC001602027641 1286909036 /nfs/dbraw/zinc/90/90/36/1286909036.db2.gz IMPWOXSYUMOFND-UHFFFAOYSA-N -2 0 369.321 0.773 20 0 FCADRL O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)c1cccc(Br)c1[O-] ZINC001602065190 1286919596 /nfs/dbraw/zinc/91/95/96/1286919596.db2.gz FGMMEHXHZGYXRH-SNVBAGLBSA-N -2 0 371.187 0.960 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC001602097389 1286933870 /nfs/dbraw/zinc/93/38/70/1286933870.db2.gz QDZUYEBZFXHBGB-LBPRGKRZSA-N -2 0 370.383 0.318 20 0 FCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)c1cc2c(cc1Br)OCO2 ZINC001602097341 1286934499 /nfs/dbraw/zinc/93/44/99/1286934499.db2.gz NARMLQKHLBSIMB-UHFFFAOYSA-N -2 0 366.145 0.322 20 0 FCADRL O=C([O-])Cc1ccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])cc1F ZINC001602131559 1286944675 /nfs/dbraw/zinc/94/46/75/1286944675.db2.gz AUCGLMXBKQBYFF-SNVBAGLBSA-N -2 0 361.347 0.317 20 0 FCADRL O=C([O-])Cc1cccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)F)c1 ZINC001602142237 1286947457 /nfs/dbraw/zinc/94/74/57/1286947457.db2.gz SHNNDIRFTIQVQS-VIFPVBQESA-N -2 0 351.327 0.948 20 0 FCADRL O=C([O-])Cc1csc(CCNS(=O)(=O)c2ccc(C(=O)[O-])nc2)n1 ZINC001602149432 1286948734 /nfs/dbraw/zinc/94/87/34/1286948734.db2.gz PZECNAOOLMUJII-UHFFFAOYSA-N -2 0 371.396 0.384 20 0 FCADRL O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC001602191059 1286961814 /nfs/dbraw/zinc/96/18/14/1286961814.db2.gz ZNLAAWFHNQHPLO-SKDRFNHKSA-N -2 0 363.395 0.122 20 0 FCADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C(=O)[C@@]2(F)CCOC2)c1F ZINC001602228529 1286972906 /nfs/dbraw/zinc/97/29/06/1286972906.db2.gz PYKZNZTYRLBZOC-GFCCVEGCSA-N -2 0 353.274 0.597 20 0 FCADRL O=C([O-])c1cc(F)cc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)[O-])c1 ZINC001602273208 1286980325 /nfs/dbraw/zinc/98/03/25/1286980325.db2.gz QFVCYAKFMDIEAM-QPUJVOFHSA-N -2 0 361.347 0.682 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CC3(CCOCC3)[C@H]2C(=O)[O-])cs1 ZINC001602288696 1286981075 /nfs/dbraw/zinc/98/10/75/1286981075.db2.gz IHQPYDGRAJCTOG-SNVBAGLBSA-N -2 0 361.397 0.701 20 0 FCADRL O=C([O-])c1ccc(CS(=O)(=O)N[C@H](Cc2ncccn2)C(=O)[O-])cc1 ZINC001602354778 1286991226 /nfs/dbraw/zinc/99/12/26/1286991226.db2.gz FXSSOIWEYNEMQA-GFCCVEGCSA-N -2 0 365.367 0.290 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)cc1F ZINC001602394078 1286993438 /nfs/dbraw/zinc/99/34/38/1286993438.db2.gz LKUMVAIIEQEYRV-UFBFGSQYSA-N -2 0 361.347 0.370 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)s1 ZINC001602401909 1286997330 /nfs/dbraw/zinc/99/73/30/1286997330.db2.gz PKTXNIRBJGGCJJ-UHFFFAOYSA-N -3 0 367.368 0.928 20 0 FCADRL O=C([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001602473426 1287005744 /nfs/dbraw/zinc/00/57/44/1287005744.db2.gz GPWRPDUZISXSQY-SECBINFHSA-N -2 0 352.372 0.777 20 0 FCADRL O=C([O-])c1ccoc1S(=O)(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC001602487197 1287010842 /nfs/dbraw/zinc/01/08/42/1287010842.db2.gz CXXXRLFQSMNYIL-UHFFFAOYSA-N -2 0 356.278 0.277 20 0 FCADRL O=C([O-])c1cnc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)cn1 ZINC001602535737 1287021740 /nfs/dbraw/zinc/02/17/40/1287021740.db2.gz KIYRAIISXULULK-UHFFFAOYSA-N -2 0 364.339 0.932 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2c2nccs2)c1 ZINC001602556650 1287025284 /nfs/dbraw/zinc/02/52/84/1287025284.db2.gz KIFBFGYOEVVEHC-SECBINFHSA-N -2 0 371.396 0.908 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]C(=O)[C@@H]2CCO[C@H]2c2ccncc2)c1 ZINC001602556957 1287025517 /nfs/dbraw/zinc/02/55/17/1287025517.db2.gz MULODLMAAVQOIU-YPMHNXCESA-N -2 0 366.351 0.956 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]C(=O)c2ccnn2CC(F)(F)F)c1 ZINC001602557443 1287026090 /nfs/dbraw/zinc/02/60/90/1287026090.db2.gz WWZUAJOYYWCESV-UHFFFAOYSA-N -2 0 367.261 0.855 20 0 FCADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCO)cc2)c1 ZINC001602559579 1287026313 /nfs/dbraw/zinc/02/63/13/1287026313.db2.gz RTYGORGAOJLEIC-UHFFFAOYSA-N -2 0 368.367 0.891 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC001602584214 1287030170 /nfs/dbraw/zinc/03/01/70/1287030170.db2.gz AIEKEAXHPPUNBB-UHFFFAOYSA-N -2 0 373.334 0.140 20 0 FCADRL COC(=O)c1nscc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604991198 1287829903 /nfs/dbraw/zinc/82/99/03/1287829903.db2.gz ZGSCMCPJRXSYPZ-UHFFFAOYSA-N -2 0 356.345 0.504 20 0 FCADRL CO[C@@H](CS(=O)(=O)[N-]c1n[nH]c(C2CC2)c1-c1nnn[n-]1)C(C)C ZINC001605013258 1287837295 /nfs/dbraw/zinc/83/72/95/1287837295.db2.gz WVUIRCICYFPJGJ-VIFPVBQESA-N -2 0 355.424 0.880 20 0 FCADRL CC[C@@H](NS(=O)(=O)c1cc(/C=C\C(=O)[O-])cc(OC)c1OC)C(=O)[O-] ZINC001605103693 1287881455 /nfs/dbraw/zinc/88/14/55/1287881455.db2.gz KBEBGMSJLPQLLU-WWQCOOJYSA-N -2 0 373.383 0.943 20 0 FCADRL CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001605190827 1287905349 /nfs/dbraw/zinc/90/53/49/1287905349.db2.gz KIDRGTYQBRTADN-UHFFFAOYSA-N -2 0 364.326 0.384 20 0 FCADRL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1cncc(C(=O)[O-])c1 ZINC001605194238 1287905970 /nfs/dbraw/zinc/90/59/70/1287905970.db2.gz XNXNSWXHKYSUMX-LLVKDONJSA-N -2 0 358.372 0.571 20 0 FCADRL Cc1ccc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])nn1 ZINC001605247153 1287914608 /nfs/dbraw/zinc/91/46/08/1287914608.db2.gz NPPSMPHEORITJT-PSASIEDQSA-N -2 0 360.292 0.521 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@H](CC(F)F)C(=O)[O-])c1 ZINC001606042726 1288144793 /nfs/dbraw/zinc/14/47/93/1288144793.db2.gz YYPVUPBGJVSEDH-SECBINFHSA-N -2 0 366.342 0.481 20 0 FCADRL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@]2(C(=O)[O-])CCSC2)c1 ZINC001606042249 1288145049 /nfs/dbraw/zinc/14/50/49/1288145049.db2.gz FEHIALVNHZPKOT-AWEZNQCLSA-N -2 0 374.440 0.333 20 0 FCADRL CN(CCC(=O)[O-])C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001606104981 1288167771 /nfs/dbraw/zinc/16/77/71/1288167771.db2.gz WRBQFDAQCAWSCC-UHFFFAOYSA-N -2 0 363.370 0.857 20 0 FCADRL COC(=O)[C@]1(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)CCOC1 ZINC001606354986 1288271156 /nfs/dbraw/zinc/27/11/56/1288271156.db2.gz ZMJRMYRBGCUYJR-NSHDSACASA-N -2 0 353.736 0.242 20 0 FCADRL COC(=O)C12CC(C(=O)[N-]S(=O)(=O)Cc3cccc(C(=O)[O-])c3)(C1)C2 ZINC001606357369 1288272004 /nfs/dbraw/zinc/27/20/04/1288272004.db2.gz QOYAJGQJYQGPLN-UHFFFAOYSA-N -2 0 367.379 0.674 20 0 FCADRL COC(=O)CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C)C(=O)[O-] ZINC001606460845 1288328713 /nfs/dbraw/zinc/32/87/13/1288328713.db2.gz VZVXKTMCEXAYOQ-NSHDSACASA-N -2 0 373.383 0.686 20 0 FCADRL COC(=O)N1CCC(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])CC1 ZINC001606489641 1288342122 /nfs/dbraw/zinc/34/21/22/1288342122.db2.gz CVSWZWXEZIABHT-RKDXNWHRSA-N -2 0 350.393 0.020 20 0 FCADRL COC(=O)c1c(C)nn(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001606525128 1288364005 /nfs/dbraw/zinc/36/40/05/1288364005.db2.gz MDTSELKHOCIGMH-UHFFFAOYSA-N -2 0 357.344 0.916 20 0 FCADRL COC(=O)c1c(Cl)cccc1NC(=O)C(=O)[N-]OCCCC(=O)[O-] ZINC001606526238 1288364693 /nfs/dbraw/zinc/36/46/93/1288364693.db2.gz ITKISSBFGGCVTF-UHFFFAOYSA-N -2 0 358.734 0.978 20 0 FCADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC001606580564 1288394457 /nfs/dbraw/zinc/39/44/57/1288394457.db2.gz JOIUPUIWNATXST-LLVKDONJSA-N -2 0 373.383 0.949 20 0 FCADRL O=C(C[C@@H]1CCCC[C@H]1O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001606588501 1288397564 /nfs/dbraw/zinc/39/75/64/1288397564.db2.gz XTHKNCWIDMYNPG-JOYOIKCWSA-N -2 0 373.373 0.599 20 0 FCADRL COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2c(C(=O)[O-])cnn2C)c1 ZINC001606601680 1288402023 /nfs/dbraw/zinc/40/20/23/1288402023.db2.gz YGHGTDGINIEMDT-UHFFFAOYSA-N -2 0 369.355 0.714 20 0 FCADRL COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001606622823 1288414215 /nfs/dbraw/zinc/41/42/15/1288414215.db2.gz FUEBBZZEDKZWBY-ONGXEEELSA-N -2 0 361.372 0.614 20 0 FCADRL COC(=O)c1nscc1S(=O)(=O)[N-]c1c(C(=O)[O-])c(C)nn1C ZINC001606636934 1288419237 /nfs/dbraw/zinc/41/92/37/1288419237.db2.gz MEOXOSOAHRICPV-UHFFFAOYSA-N -2 0 360.373 0.471 20 0 FCADRL CO[C@@H]1CCN(C(=O)c2nc[n-]c(=O)c2Br)[C@@H](C(=O)[O-])C1 ZINC001606756004 1288493021 /nfs/dbraw/zinc/49/30/21/1288493021.db2.gz ZFKQXXRZERICIV-RNFRBKRXSA-N -2 0 360.164 0.649 20 0 FCADRL COC[C@](C)(CC(=O)[O-])NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001606779260 1288510513 /nfs/dbraw/zinc/51/05/13/1288510513.db2.gz ISSZZZCFEZUJBA-GUYCJALGSA-N -2 0 363.370 0.702 20 0 FCADRL COC/C(C)=C/C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001606791708 1288521266 /nfs/dbraw/zinc/52/12/66/1288521266.db2.gz DDYHFMAJJYVBFE-UXBLZVDNSA-N -2 0 357.384 0.720 20 0 FCADRL COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2C)C1 ZINC001606834460 1288534453 /nfs/dbraw/zinc/53/44/53/1288534453.db2.gz QPPMLLZYWLUJIA-OAHLLOKOSA-N -2 0 357.384 0.805 20 0 FCADRL O=C([O-])CCN(C1CCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001606958640 1288574566 /nfs/dbraw/zinc/57/45/66/1288574566.db2.gz ZOEPFHUGKYUKDL-UHFFFAOYSA-N -2 0 355.376 0.868 20 0 FCADRL COCc1nc([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)sc1C(=O)[O-] ZINC001606978234 1288580271 /nfs/dbraw/zinc/58/02/71/1288580271.db2.gz UEYWMVMOXNGKQQ-LURJTMIESA-N -2 0 351.406 0.206 20 0 FCADRL COc1cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)ccc1C(=O)[O-] ZINC001607190366 1288681941 /nfs/dbraw/zinc/68/19/41/1288681941.db2.gz ITJBUSMYZIKNLJ-PRHODGIISA-N -2 0 359.356 0.161 20 0 FCADRL COc1cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)ccc1C(=O)[O-] ZINC001607190369 1288682096 /nfs/dbraw/zinc/68/20/96/1288682096.db2.gz ITJBUSMYZIKNLJ-UFBFGSQYSA-N -2 0 359.356 0.161 20 0 FCADRL Cc1cc2nc(C)cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])n2n1 ZINC001607580022 1288728388 /nfs/dbraw/zinc/72/83/88/1288728388.db2.gz OEUPKOVICMQILS-UWVGGRQHSA-N -2 0 354.388 0.515 20 0 FCADRL Cc1cc2nc(C)cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])n2n1 ZINC001607580297 1288728535 /nfs/dbraw/zinc/72/85/35/1288728535.db2.gz WDJQKQWBZVARKB-UHFFFAOYSA-N -2 0 354.388 0.517 20 0 FCADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)oc1C(=O)[O-] ZINC001607580040 1288728595 /nfs/dbraw/zinc/72/85/95/1288728595.db2.gz PGZOJYZXFRFZEI-UHFFFAOYSA-N -2 0 355.328 0.384 20 0 FCADRL Cc1ccc([C@]2(C)NC(=O)N(CC(=O)[N-]OCCCC(=O)[O-])C2=O)cc1 ZINC001607765787 1288737776 /nfs/dbraw/zinc/73/77/76/1288737776.db2.gz UMFAYASECCCQAQ-KRWDZBQOSA-N -2 0 363.370 0.675 20 0 FCADRL Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)c(C(=O)[O-])c1 ZINC001607817528 1288739876 /nfs/dbraw/zinc/73/98/76/1288739876.db2.gz ZELBWGGFWQRHPZ-GWCFXTLKSA-N -2 0 357.384 0.539 20 0 FCADRL Cn1cc(-c2nn(C)cc2[N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)cn1 ZINC001608093953 1288767009 /nfs/dbraw/zinc/76/70/09/1288767009.db2.gz ASGKHZXKQWMCAE-UHFFFAOYSA-N -2 0 362.371 0.715 20 0 FCADRL Cn1cc([C@@H](NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C(=O)[O-])cn1 ZINC001608106298 1288769211 /nfs/dbraw/zinc/76/92/11/1288769211.db2.gz OZDSRJBZTCUPKC-LLVKDONJSA-N -2 0 373.774 0.876 20 0 FCADRL Cn1cnnc1-c1cncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC001608137562 1288778966 /nfs/dbraw/zinc/77/89/66/1288778966.db2.gz OOCMOIMEZOVIJL-UHFFFAOYSA-N -2 0 360.355 0.771 20 0 FCADRL Cn1nc(C(C)(C)C)cc1NC(=O)CS(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001608146212 1288782001 /nfs/dbraw/zinc/78/20/01/1288782001.db2.gz ODPIVVPNOZAAFB-UHFFFAOYSA-N -2 0 369.403 0.551 20 0 FCADRL NC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC001608233032 1288797024 /nfs/dbraw/zinc/79/70/24/1288797024.db2.gz SSPYEXVUTSWVOK-SFYZADRCSA-N -2 0 360.413 0.543 20 0 FCADRL NC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC001608236906 1288799134 /nfs/dbraw/zinc/79/91/34/1288799134.db2.gz LEAAVZHGSYTAPP-LBPRGKRZSA-N -2 0 369.399 0.122 20 0 FCADRL NC(=O)N1CCc2cc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)ccc21 ZINC001608237678 1288799881 /nfs/dbraw/zinc/79/98/81/1288799881.db2.gz DFLBSGKSUMUCPC-UHFFFAOYSA-N -2 0 365.371 0.210 20 0 FCADRL NS(=O)(=O)c1ccc([O-])c(C(=O)NC2(C(=O)[O-])CCSCC2)c1 ZINC001608262548 1288808458 /nfs/dbraw/zinc/80/84/58/1288808458.db2.gz FOBSERRZFWGCSY-UHFFFAOYSA-N -2 0 360.413 0.120 20 0 FCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)CCn2ccnn2)cc1Cl ZINC001608324815 1288818207 /nfs/dbraw/zinc/81/82/07/1288818207.db2.gz BLYJKKACDVKOJT-UHFFFAOYSA-N -2 0 358.763 0.525 20 0 FCADRL O=C([O-])c1ccc(CNC(=O)CCc2nnn[n-]2)c(Br)c1 ZINC001608323106 1288818849 /nfs/dbraw/zinc/81/88/49/1288818849.db2.gz XGQIBKWSXNBWJF-UHFFFAOYSA-N -2 0 354.164 0.909 20 0 FCADRL O=C([O-])[C@H](NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)c1ccccc1 ZINC001608485067 1288848864 /nfs/dbraw/zinc/84/88/64/1288848864.db2.gz RTWLWMOJEWDPJI-CYBMUJFWSA-N -2 0 354.322 0.822 20 0 FCADRL O=C([O-])C1=NOC2(C1)CCN(S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])CC2 ZINC001608592436 1288858758 /nfs/dbraw/zinc/85/87/58/1288858758.db2.gz GGBPVWYUJPAUAF-ZYHUDNBSSA-N -2 0 374.415 0.655 20 0 FCADRL O=C([O-])CC1(CS(=O)(=O)N2CC[C@H]([C@H]3CCCO3)[C@H]2C(=O)[O-])CC1 ZINC001608681529 1288863184 /nfs/dbraw/zinc/86/31/84/1288863184.db2.gz UUDXXGNNQDLFLR-WZRBSPASSA-N -2 0 361.416 0.525 20 0 FCADRL O=C([O-])CCCNC(=O)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001608714317 1288868170 /nfs/dbraw/zinc/86/81/70/1288868170.db2.gz BMYJTSLRWKLYNE-UHFFFAOYSA-N -2 0 373.365 0.732 20 0 FCADRL O=C([O-])CCc1cccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC001608739209 1288872090 /nfs/dbraw/zinc/87/20/90/1288872090.db2.gz DYFYZGQSMBYNDX-ZDUSSCGKSA-N -2 0 364.354 0.344 20 0 FCADRL O=C([O-])c1cc(F)ccc1S(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1 ZINC001608852083 1288875582 /nfs/dbraw/zinc/87/55/82/1288875582.db2.gz YWBBVBSANDKRGN-QPUJVOFHSA-N -2 0 361.347 0.370 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c[nH]1 ZINC001608859818 1288876936 /nfs/dbraw/zinc/87/69/36/1288876936.db2.gz JRJCZSHDPCLVOY-ZDUSSCGKSA-N -2 0 350.352 0.913 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H](O)Cc2cccc(Cl)c2)on1 ZINC001608861036 1288877953 /nfs/dbraw/zinc/87/79/53/1288877953.db2.gz LXZPPZQWLRSXSO-SNVBAGLBSA-N -2 0 360.775 0.908 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)on1 ZINC001608860857 1288877970 /nfs/dbraw/zinc/87/79/70/1288877970.db2.gz DKNVVIYJFYMWHV-NHYWBVRUSA-N -2 0 370.358 0.956 20 0 FCADRL CC[C@@H]1CC[C@@H](C(=O)OCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)O1 ZINC001609198950 1288984261 /nfs/dbraw/zinc/98/42/61/1288984261.db2.gz LZFOQYOMMWZXKG-KOLCDFICSA-N -2 0 359.346 0.616 20 0 FCADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001609572480 1289234440 /nfs/dbraw/zinc/23/44/40/1289234440.db2.gz ZOPQSNCWNBFTJK-UHFFFAOYSA-N -2 0 364.318 0.900 20 0 FCADRL O=C(OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@H]1CC1(Cl)Cl ZINC001609575939 1289236985 /nfs/dbraw/zinc/23/69/85/1289236985.db2.gz QQISUJCPRMVDHL-SSDOTTSWSA-N -2 0 370.156 0.852 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCN1C(=O)OC(C)(C)C ZINC001609638652 1289269892 /nfs/dbraw/zinc/26/98/92/1289269892.db2.gz JCMRLJZUIYWDPF-LPEHRKFASA-N -2 0 364.420 0.551 20 0 FCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCCNC(=O)c1ccccc1 ZINC001609638184 1289270263 /nfs/dbraw/zinc/27/02/63/1289270263.db2.gz BQSYZDDMNAMANM-NEPJUHHUSA-N -2 0 370.427 0.752 20 0 FCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc2ccccc2c(=O)n1C ZINC001609639306 1289270706 /nfs/dbraw/zinc/27/07/06/1289270706.db2.gz VETBYQDWBDECEG-VHSXEESVSA-N -2 0 366.395 0.707 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(-c2nc[nH]n2)c1 ZINC001609639326 1289270979 /nfs/dbraw/zinc/27/09/79/1289270979.db2.gz VQJGQZIGTWIJNG-IUCAKERBSA-N -2 0 352.372 0.641 20 0 FCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)C1CCN(CC(F)(F)F)CC1 ZINC001609638795 1289270985 /nfs/dbraw/zinc/27/09/85/1289270985.db2.gz LNFQMWBKPKKHJX-RKDXNWHRSA-N -2 0 374.381 0.816 20 0 FCADRL C[C@@H](C(=O)[O-])N(Cc1cccnc1)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001609641795 1289271362 /nfs/dbraw/zinc/27/13/62/1289271362.db2.gz SOQIFMHZTMZWFD-NSHDSACASA-N -2 0 356.400 0.941 20 0 FCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(NC(=O)NC2CC2)c1 ZINC001609642851 1289271481 /nfs/dbraw/zinc/27/14/81/1289271481.db2.gz FVYRTCGBSGTCTE-QMMMGPOBSA-N -2 0 355.372 0.503 20 0 FCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)N(C)C)cc1 ZINC001609639513 1289271484 /nfs/dbraw/zinc/27/14/84/1289271484.db2.gz YTMYEUJRDDNWFS-UWVGGRQHSA-N -2 0 356.400 0.557 20 0 FCADRL CC(C)(C)N1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1=O ZINC001609656931 1289274009 /nfs/dbraw/zinc/27/40/09/1289274009.db2.gz AFGMWVXQQMLMDY-LLVKDONJSA-N -2 0 368.411 0.837 20 0 FCADRL CC(C)(C)OC[C@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)C(=O)[O-] ZINC001609668853 1289278042 /nfs/dbraw/zinc/27/80/42/1289278042.db2.gz UTJOXJUVLISXBV-QMMMGPOBSA-N -2 0 351.402 0.993 20 0 FCADRL CC(C)(CCNC(=O)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)C(=O)[O-] ZINC001609674588 1289278241 /nfs/dbraw/zinc/27/82/41/1289278241.db2.gz QXSLGLGGXUHVKG-UHFFFAOYSA-N -2 0 362.382 0.887 20 0 FCADRL C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001609734704 1289287309 /nfs/dbraw/zinc/28/73/09/1289287309.db2.gz LAVHXNWWKDQBBQ-ZETCQYMHSA-N -2 0 367.326 0.509 20 0 FCADRL C[C@H](CNC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001609745118 1289288528 /nfs/dbraw/zinc/28/85/28/1289288528.db2.gz BWXQFVYSTWKVAG-SECBINFHSA-N -2 0 366.436 0.704 20 0 FCADRL C[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(C(=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC001609856188 1289312970 /nfs/dbraw/zinc/31/29/70/1289312970.db2.gz HTWDOZJFCCUSIU-RISCZKNCSA-N -2 0 362.382 0.613 20 0 FCADRL C[C@@H]1CN(c2ccc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cn2)C[C@H](C)O1 ZINC001609873650 1289322038 /nfs/dbraw/zinc/32/20/38/1289322038.db2.gz OPAIMCGZVWTATA-PHIMTYICSA-N -2 0 371.415 0.230 20 0 FCADRL CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001609883517 1289324033 /nfs/dbraw/zinc/32/40/33/1289324033.db2.gz REMYCDZGNRWKEJ-SSDOTTSWSA-N -2 0 362.791 0.758 20 0 FCADRL CC[C@@H](CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1C(=O)OC)C(=O)[O-] ZINC001609920428 1289328495 /nfs/dbraw/zinc/32/84/95/1289328495.db2.gz WTLULUGNPISOQD-VIFPVBQESA-N -2 0 373.383 0.951 20 0 FCADRL CC[C@@](COC)(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C(=O)[O-] ZINC001609924715 1289329499 /nfs/dbraw/zinc/32/94/99/1289329499.db2.gz PMHOQBBWTGLTOE-HNNXBMFYSA-N -2 0 374.415 0.252 20 0 FCADRL CC[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001609952192 1289333225 /nfs/dbraw/zinc/33/32/25/1289333225.db2.gz WDXWFJTVVUKXHA-NXEZZACHSA-N -2 0 364.420 0.553 20 0 FCADRL CCOC(=O)CC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])s1)C(=O)[O-] ZINC001610016666 1289345763 /nfs/dbraw/zinc/34/57/63/1289345763.db2.gz RTAIWKICKSDSIH-ZETCQYMHSA-N -2 0 365.385 0.521 20 0 FCADRL CCc1ncncc1C(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001610072952 1289362761 /nfs/dbraw/zinc/36/27/61/1289362761.db2.gz KBPZOIIZKYDWCR-UHFFFAOYSA-N -2 0 367.358 0.924 20 0 FCADRL CN(C)c1ccc(NC(=C(F)C(=O)[O-])c2c([O-])[nH]c(=S)[nH]c2=O)cc1 ZINC001610105865 1289374750 /nfs/dbraw/zinc/37/47/50/1289374750.db2.gz ZNGHFBVREDJWEX-SNVBAGLBSA-N -2 0 366.374 0.372 20 0 FCADRL CN1C(=O)COc2cc([N-]S(=O)(=O)c3csnc3C(=O)[O-])ccc21 ZINC001610127571 1289383366 /nfs/dbraw/zinc/38/33/66/1289383366.db2.gz HUXACMHUAHKIDO-UHFFFAOYSA-N -2 0 369.380 0.997 20 0 FCADRL CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)[O-])C1=O ZINC001610128800 1289383420 /nfs/dbraw/zinc/38/34/20/1289383420.db2.gz CFPSQSHCIDIYHA-SSDOTTSWSA-N -2 0 360.775 0.321 20 0 FCADRL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001610145094 1289397484 /nfs/dbraw/zinc/39/74/84/1289397484.db2.gz OGIGAOHBGKKMHR-UHFFFAOYSA-N -2 0 352.324 0.456 20 0 FCADRL COC(=O)[C@H](CC(=O)[O-])NC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001610152551 1289401035 /nfs/dbraw/zinc/40/10/35/1289401035.db2.gz YMMHTEZMYBIYRZ-VIFPVBQESA-N -2 0 351.290 0.463 20 0 FCADRL COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cc1F ZINC001610150826 1289401176 /nfs/dbraw/zinc/40/11/76/1289401176.db2.gz PQMHBFWIPCPESV-HTQZYQBOSA-N -2 0 361.347 0.781 20 0 FCADRL COC(=O)CC[C@H](NS(=O)(=O)c1ccc(C)cc1C(=O)[O-])C(=O)[O-] ZINC001610182805 1289414234 /nfs/dbraw/zinc/41/42/34/1289414234.db2.gz QDSLDHORESJSPL-JTQLQIEISA-N -2 0 359.356 0.378 20 0 FCADRL COC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)n1 ZINC001610186703 1289416369 /nfs/dbraw/zinc/41/63/69/1289416369.db2.gz LEIMOTCBETXPLW-UHFFFAOYSA-N -2 0 372.334 0.398 20 0 FCADRL COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1 ZINC001610191006 1289418775 /nfs/dbraw/zinc/41/87/75/1289418775.db2.gz YSHDYBCPJQAIPQ-UHFFFAOYSA-N -2 0 354.344 0.947 20 0 FCADRL COC1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1 ZINC001610233219 1289433669 /nfs/dbraw/zinc/43/36/69/1289433669.db2.gz VWJHNYPAUYYOCB-UHFFFAOYSA-N -2 0 361.347 0.778 20 0 FCADRL COCC[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)C(=O)[O-] ZINC001610253563 1289438693 /nfs/dbraw/zinc/43/86/93/1289438693.db2.gz GAWAOIUTGBFKAE-JTQLQIEISA-N -2 0 351.384 0.442 20 0 FCADRL COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC001610258947 1289440863 /nfs/dbraw/zinc/44/08/63/1289440863.db2.gz WMTSQRRSBCBXMW-SECBINFHSA-N -2 0 363.363 0.943 20 0 FCADRL COCCN(CC(=O)[O-])S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001610259115 1289441002 /nfs/dbraw/zinc/44/10/02/1289441002.db2.gz LUFVRUVDNBYVQU-UHFFFAOYSA-N -2 0 368.367 0.655 20 0 FCADRL COCCn1ccc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)n1 ZINC001610268560 1289446480 /nfs/dbraw/zinc/44/64/80/1289446480.db2.gz YWCXTNXMMWDNAZ-UHFFFAOYSA-N -2 0 357.344 0.248 20 0 FCADRL COc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c(C)nn1C ZINC001610278811 1289448618 /nfs/dbraw/zinc/44/86/18/1289448618.db2.gz ZFMWMZHWVIVMLE-ZJUUUORDSA-N -2 0 359.404 0.433 20 0 FCADRL CO[N-]C(=O)C(=O)Nc1cc(I)cc(C(=O)[O-])c1 ZINC001610277746 1289448706 /nfs/dbraw/zinc/44/87/06/1289448706.db2.gz PGKPXOQBFHXVOW-UHFFFAOYSA-N -2 0 364.095 0.606 20 0 FCADRL COc1cc(NC(=O)C(=O)N[C@H](CC(C)C)C(=O)[O-])ccc1C(=O)[O-] ZINC001610297986 1289454593 /nfs/dbraw/zinc/45/45/93/1289454593.db2.gz JXOAXLYPTMNXNP-LLVKDONJSA-N -2 0 352.343 0.947 20 0 FCADRL COc1cccc(S([O-])=CC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC001610359537 1289468693 /nfs/dbraw/zinc/46/86/93/1289468693.db2.gz CWTXEMWXCMWVFD-CANCMXDXSA-N -2 0 368.455 0.810 20 0 FCADRL Cc1c(NC(=O)C(=O)NCCC(=O)[O-])ccc(Br)c1C(=O)[O-] ZINC001610419603 1289484259 /nfs/dbraw/zinc/48/42/59/1289484259.db2.gz DOCKZYANGIPGLB-UHFFFAOYSA-N -2 0 373.159 0.985 20 0 FCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)c1C ZINC001610439904 1289488634 /nfs/dbraw/zinc/48/86/34/1289488634.db2.gz IYIUWPCAICIPAJ-GXFFZTMASA-N -2 0 357.384 0.770 20 0 FCADRL Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001610477407 1289493338 /nfs/dbraw/zinc/49/33/38/1289493338.db2.gz VGYYOINWEWUABY-SNVBAGLBSA-N -2 0 352.343 0.576 20 0 FCADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1 ZINC001610489726 1289494908 /nfs/dbraw/zinc/49/49/08/1289494908.db2.gz BVHZOWNKZYWIIY-WBMJQRKESA-N -2 0 369.395 0.805 20 0 FCADRL Cc1cnn(-c2ccc(C(=O)[O-])cc2NC(=O)C(=O)NCCCC(=O)[O-])c1 ZINC001610541749 1289504644 /nfs/dbraw/zinc/50/46/44/1289504644.db2.gz PDWKLKOBOBZULI-UHFFFAOYSA-N -2 0 374.353 0.798 20 0 FCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCCC2 ZINC001610581244 1289517089 /nfs/dbraw/zinc/51/70/89/1289517089.db2.gz ILEPESCMJLLBPD-UHFFFAOYSA-N -2 0 353.356 0.938 20 0 FCADRL Cn1cc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])c(C(C)(C)C)n1 ZINC001610600371 1289523015 /nfs/dbraw/zinc/52/30/15/1289523015.db2.gz KSDDONZOCRMNAD-UHFFFAOYSA-N -2 0 372.428 0.991 20 0 FCADRL Cn1cc(C[C@H](NS(=O)(=O)Cc2ccccc2C(=O)[O-])C(=O)[O-])cn1 ZINC001610603285 1289523574 /nfs/dbraw/zinc/52/35/74/1289523574.db2.gz GOLAZOUGOKWEPJ-ZDUSSCGKSA-N -2 0 367.383 0.234 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])[nH]2)c(C(F)(F)F)n1 ZINC001610606786 1289526087 /nfs/dbraw/zinc/52/60/87/1289526087.db2.gz VMTQXFFCEUMOQG-UHFFFAOYSA-N -2 0 366.277 0.584 20 0 FCADRL Cn1cc(S(=O)(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)cc1C(=O)[O-] ZINC001610606902 1289526110 /nfs/dbraw/zinc/52/61/10/1289526110.db2.gz MHLUBJGNSIXGOX-UHFFFAOYSA-N -2 0 370.387 0.171 20 0 FCADRL Cn1nccc1CCC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001610616022 1289531052 /nfs/dbraw/zinc/53/10/52/1289531052.db2.gz AWFVEPSAICEFNB-UHFFFAOYSA-N -2 0 351.384 0.697 20 0 FCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)CCOC[C@@H]2CCCO2)c1 ZINC001610658043 1289544012 /nfs/dbraw/zinc/54/40/12/1289544012.db2.gz MCAGYWYDZMTHRQ-LBPRGKRZSA-N -2 0 357.384 0.775 20 0 FCADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)CN1CCSC1=O ZINC001610663536 1289546356 /nfs/dbraw/zinc/54/63/56/1289546356.db2.gz AMSOJWRVFIJOHF-UHFFFAOYSA-N -2 0 350.399 0.420 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)CSc1ccncc1 ZINC001610672964 1289548343 /nfs/dbraw/zinc/54/83/43/1289548343.db2.gz ZRUNFMRIHJAPIC-UHFFFAOYSA-N -2 0 359.410 0.834 20 0 FCADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)Cn2cc(Cl)cn2)c1 ZINC001610677738 1289549307 /nfs/dbraw/zinc/54/93/07/1289549307.db2.gz IHIFZWJOMIXBPB-UHFFFAOYSA-N -2 0 357.775 0.881 20 0 FCADRL O=C([O-])c1cccc(CCNC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC001610694441 1289558262 /nfs/dbraw/zinc/55/82/62/1289558262.db2.gz OTMUAEYXINTXEV-UHFFFAOYSA-N -2 0 362.382 0.803 20 0 FCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC001610701767 1289560505 /nfs/dbraw/zinc/56/05/05/1289560505.db2.gz KTROOFRFAHNOAR-UHFFFAOYSA-N -2 0 369.355 0.305 20 0 FCADRL O=C([O-])C[C@H]1CCCN(C(=O)C(=O)NCCc2ccc(C(=O)[O-])cc2)C1 ZINC001610760529 1289582045 /nfs/dbraw/zinc/58/20/45/1289582045.db2.gz TVJITHBBJBKTAP-CYBMUJFWSA-N -2 0 362.382 0.757 20 0 FCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cc(F)ccc1-n1cccn1 ZINC001610771732 1289586331 /nfs/dbraw/zinc/58/63/31/1289586331.db2.gz WGUDPXANFRNHDJ-UHFFFAOYSA-N -2 0 355.347 0.936 20 0 FCADRL O=C([O-])CN(CCO)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001610780064 1289588826 /nfs/dbraw/zinc/58/88/26/1289588826.db2.gz JFRWGFNKTAKYMW-UHFFFAOYSA-N -2 0 372.182 0.759 20 0 FCADRL O=C([O-])COCCNS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001610785354 1289592142 /nfs/dbraw/zinc/59/21/42/1289592142.db2.gz GIJHRTDYRMIUQJ-UHFFFAOYSA-N -2 0 359.381 0.979 20 0 FCADRL O=C([O-])Cc1ccc(NC(=O)C(=O)NCc2nc(C(F)(F)F)n[nH]2)cc1 ZINC001610791264 1289594417 /nfs/dbraw/zinc/59/44/17/1289594417.db2.gz CHGWPBYJDCVFCQ-UHFFFAOYSA-N -2 0 371.275 0.706 20 0 FCADRL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC001610826244 1289600483 /nfs/dbraw/zinc/60/04/83/1289600483.db2.gz YLVIQMIVZLVLDN-ZETCQYMHSA-N -2 0 357.262 0.127 20 0 FCADRL O=C([O-])c1cc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cc(F)c1F ZINC001610816443 1289601106 /nfs/dbraw/zinc/60/11/06/1289601106.db2.gz KRBPMDLXNXODKA-VIFPVBQESA-N -2 0 351.283 0.137 20 0 FCADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC001610832834 1289601826 /nfs/dbraw/zinc/60/18/26/1289601826.db2.gz WNHZZTNGMJDLBU-KWQFWETISA-N -2 0 363.775 0.806 20 0 FCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1ccnn1C[C@H]1CCOC1 ZINC001610871717 1289613746 /nfs/dbraw/zinc/61/37/46/1289613746.db2.gz ROMJJBZNGFPDRX-MRVPVSSYSA-N -2 0 358.401 0.875 20 0 FCADRL