smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)[N-]c2cnc(C)c(C)n2)cc1C(=O)[O-] ZINC001184664862 744080265 /nfs/dbraw/zinc/08/02/65/744080265.db2.gz VXMYXQALDXRIRE-UHFFFAOYSA-N -2 0 321.358 1.901 20 0 DDADRL O=S(=O)([N-]c1cc([O-])c(F)c(F)c1)c1cnc(Cl)nc1 ZINC001185047384 744150351 /nfs/dbraw/zinc/15/03/51/744150351.db2.gz FQXBPKBTHYPROV-UHFFFAOYSA-N -2 0 321.692 1.915 20 0 DDADRL O=S(=O)([O-])c1ccc([N-]S(=O)(=O)c2ccco2)cc1 ZINC001186855930 744463950 /nfs/dbraw/zinc/46/39/50/744463950.db2.gz JPINZKGCNUDPHC-UHFFFAOYSA-N -2 0 303.317 1.327 20 0 DDADRL Cc1cnc(NC(=O)c2ccccc2OP(=O)([O-])[O-])nc1C ZINC001189860648 745003780 /nfs/dbraw/zinc/00/37/80/745003780.db2.gz LVJAAWDBGZANIW-UHFFFAOYSA-N -2 0 323.245 1.817 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnc2ccnn2c1 ZINC001198742158 747587236 /nfs/dbraw/zinc/58/72/36/747587236.db2.gz WZYUBESSVCGPMD-UHFFFAOYSA-N -2 0 318.314 1.228 20 0 DDADRL N=c1c(N)c(Cl)ccn1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236132 778087780 /nfs/dbraw/zinc/08/77/80/778087780.db2.gz CXDRLWCOCOPFFV-UHFFFAOYSA-N -2 0 307.693 1.589 20 0 DDADRL O=C([O-])C1(C(=O)NCCCC[P@](=O)([O-])O)CCCCC1 ZINC001180438891 779761720 /nfs/dbraw/zinc/76/17/20/779761720.db2.gz QWIOYGAWKNMXCE-UHFFFAOYSA-N -2 0 307.283 1.096 20 0 DDADRL CCOC(=O)c1nc(NCCOP(=O)([O-])[O-])ccc1Cl ZINC001157791458 864143865 /nfs/dbraw/zinc/14/38/65/864143865.db2.gz PAVNROSTYYDKOS-UHFFFAOYSA-N -2 0 324.657 1.433 20 0 DDADRL Cc1nc(NCCOP(=O)([O-])[O-])cc(-c2ccncc2)n1 ZINC001157795444 864149397 /nfs/dbraw/zinc/14/93/97/864149397.db2.gz DCABYUYUCKRTTB-UHFFFAOYSA-N -2 0 310.250 1.368 20 0 DDADRL CCCCc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001227620598 883108270 /nfs/dbraw/zinc/10/82/70/883108270.db2.gz MOQMHDZCYKNITG-TZMCWYRMSA-N -2 0 324.329 1.471 20 0 DDADRL C[C@H](CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000315388735 879064109 /nfs/dbraw/zinc/06/41/09/879064109.db2.gz SHVPZKLHWJEEIJ-SSDOTTSWSA-N -2 0 320.298 1.123 20 0 DDADRL CC(C)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228281605 883418868 /nfs/dbraw/zinc/41/88/68/883418868.db2.gz PRFFZBSCYMAXKQ-MFKMUULPSA-N -2 0 310.302 1.252 20 0 DDADRL COc1nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc2nc[nH]c21 ZINC001242160165 891353781 /nfs/dbraw/zinc/35/37/81/891353781.db2.gz DTZWWUBCNJPDCE-UHFFFAOYSA-N -2 0 314.257 1.425 20 0 DDADRL CN1CCOc2c1cnnc2-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242161300 891355473 /nfs/dbraw/zinc/35/54/73/891355473.db2.gz XAKIBZBKEGSKLB-UHFFFAOYSA-N -2 0 315.285 1.369 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nonc2C2CC2)cc1 ZINC001260222267 899094572 /nfs/dbraw/zinc/09/45/72/899094572.db2.gz TZNQEZDGXZLPIZ-UHFFFAOYSA-N -2 0 309.303 1.446 20 0 DDADRL COc1cc([N-]S(=O)(=O)c2cn(C)c(C)n2)ccc1[S-] ZINC001260549664 899166550 /nfs/dbraw/zinc/16/65/50/899166550.db2.gz NYDVHKFGHWPZPP-UHFFFAOYSA-N -2 0 313.404 1.827 20 0 DDADRL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cccc2n[nH]nc21 ZINC000163607478 539224468 /nfs/dbraw/zinc/22/44/68/539224468.db2.gz SNIZTQUKBFTTNG-UHFFFAOYSA-N -2 0 322.284 1.554 20 0 DDADRL CN(CCCC(=O)[O-])C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000417767457 529879481 /nfs/dbraw/zinc/87/94/81/529879481.db2.gz SOCYCBKGZXIJJH-UHFFFAOYSA-N -2 0 314.345 1.894 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])c[nH]1 ZINC000070069856 190855448 /nfs/dbraw/zinc/85/54/48/190855448.db2.gz ZLWADRWIYFXTAX-UHFFFAOYSA-N -2 0 317.273 1.495 20 0 DDADRL C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000314321587 354484816 /nfs/dbraw/zinc/48/48/16/354484816.db2.gz YRJJQBISJRAKAP-RNFRBKRXSA-N -2 0 320.298 1.121 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1C(=O)[O-] ZINC000336864671 249273128 /nfs/dbraw/zinc/27/31/28/249273128.db2.gz KVYBAFFTQUOJPJ-UHFFFAOYSA-N -2 0 322.342 1.554 20 0 DDADRL Cn1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000352730762 285261541 /nfs/dbraw/zinc/26/15/41/285261541.db2.gz XNOPOYMECMXZPC-UHFFFAOYSA-N -2 0 324.314 1.222 20 0 DDADRL O=C([O-])CC1([N-]S(=O)(=O)CC(F)(F)F)CCCCC1 ZINC000569573695 304364730 /nfs/dbraw/zinc/36/47/30/304364730.db2.gz WORANLCRZDDDRA-UHFFFAOYSA-N -2 0 303.302 1.646 20 0 DDADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000091021701 407174258 /nfs/dbraw/zinc/17/42/58/407174258.db2.gz XLESUNYMPIZIMR-UHFFFAOYSA-N -2 0 313.335 1.383 20 0 DDADRL CCn1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cn1 ZINC000113457084 407505898 /nfs/dbraw/zinc/50/58/98/407505898.db2.gz OGBOQMFIDZYPOL-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL CCC(CC)(CNC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)C(=O)[O-] ZINC000571163384 304440942 /nfs/dbraw/zinc/44/09/42/304440942.db2.gz BVSIDDQHOZLXNB-MNOVXSKESA-N -2 0 314.382 1.630 20 0 DDADRL Cn1nccc1S(=O)(=O)[N-]c1ccccc1CCCC(=O)[O-] ZINC000280912789 408857816 /nfs/dbraw/zinc/85/78/16/408857816.db2.gz AMFWHCXBHQTWFT-UHFFFAOYSA-N -2 0 323.374 1.628 20 0 DDADRL CCc1oncc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000337865305 409522041 /nfs/dbraw/zinc/52/20/41/409522041.db2.gz NYXZKDNKCDEZPL-UHFFFAOYSA-N -2 0 302.333 1.798 20 0 DDADRL COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1 ZINC000342641276 409780974 /nfs/dbraw/zinc/78/09/74/409780974.db2.gz VORHFOHUZGSGJJ-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)cc1C(=O)[O-] ZINC000315376780 409838325 /nfs/dbraw/zinc/83/83/25/409838325.db2.gz DCQBUXYBKBKRMI-UHFFFAOYSA-N -2 0 320.330 1.400 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](NC(=O)N=c2ccc(C(F)(F)F)n[n-]2)C1 ZINC000647700124 423002954 /nfs/dbraw/zinc/00/29/54/423002954.db2.gz XCVDHSHUKBPNCD-RQJHMYQMSA-N -2 0 318.255 1.292 20 0 DDADRL CN=c1[n-]nc(CC(=O)Nc2cc(C(C)=O)ccc2[O-])s1 ZINC000353960903 306766348 /nfs/dbraw/zinc/76/63/48/306766348.db2.gz IHHCYCYCNNVTKL-UHFFFAOYSA-N -2 0 306.347 1.091 20 0 DDADRL Cc1ccc([C@@H](NC(=O)N=c2[n-]ncs2)C(=O)[O-])cc1C ZINC000518469364 421655264 /nfs/dbraw/zinc/65/52/64/421655264.db2.gz MWFFTZPEUJHBFJ-SNVBAGLBSA-N -2 0 306.347 1.524 20 0 DDADRL CCOC(=O)c1cc(=NC(=O)c2cccc(CC)c2[O-])[nH][n-]1 ZINC000542834326 421831617 /nfs/dbraw/zinc/83/16/17/421831617.db2.gz BUKNWAVUPWDWQW-UHFFFAOYSA-N -2 0 303.318 1.529 20 0 DDADRL O=C([O-])[C@H]1CC[C@H]([N-]S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000630433440 422099909 /nfs/dbraw/zinc/09/99/09/422099909.db2.gz QPCHKOUKCDTBPU-KYZUINATSA-N -2 0 319.329 1.887 20 0 DDADRL CC(C)C[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C(=O)[O-] ZINC000574811567 422186354 /nfs/dbraw/zinc/18/63/54/422186354.db2.gz ZSZSJUHLFSXJOJ-NSHDSACASA-N -2 0 319.317 1.259 20 0 DDADRL C[C@H]1OCC[C@@H]1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000575992669 422355192 /nfs/dbraw/zinc/35/51/92/422355192.db2.gz FTVVWIOICZRSIS-XCBNKYQSSA-N -2 0 301.320 1.010 20 0 DDADRL CC(C)(C)CC[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)C(=O)[O-] ZINC000653280663 423416670 /nfs/dbraw/zinc/41/66/70/423416670.db2.gz DLGBWMXSWDLSKF-LLVKDONJSA-N -2 0 308.334 1.789 20 0 DDADRL CC1(C(=O)[O-])CCN(C(=O)NCc2cccc(C(=O)[O-])c2)CC1 ZINC000646162016 423374213 /nfs/dbraw/zinc/37/42/13/423374213.db2.gz FKTSSQKIELMYRZ-UHFFFAOYSA-N -2 0 320.345 1.781 20 0 DDADRL C[C@H](C(=O)[O-])N(C(=O)c1ccc(OCC(=O)[O-])cc1)C1CC1 ZINC000659764658 424231231 /nfs/dbraw/zinc/23/12/31/424231231.db2.gz MJDCBTSCTYJVQY-SECBINFHSA-N -2 0 307.302 1.228 20 0 DDADRL O=C([O-])COc1ccc(C(=O)N(CC(=O)[O-])C2CCC2)cc1 ZINC000659765039 424235202 /nfs/dbraw/zinc/23/52/02/424235202.db2.gz DBUAZPMIDMESSA-UHFFFAOYSA-N -2 0 307.302 1.229 20 0 DDADRL CC(C)[C@@H](Nc1cc(N[C@@H](C(=O)[O-])C(C)C)ncn1)C(=O)[O-] ZINC000662878633 424796462 /nfs/dbraw/zinc/79/64/62/424796462.db2.gz XETQHJUCNWOTAA-VXGBXAGGSA-N -2 0 310.354 1.519 20 0 DDADRL O=S(=O)([N-]c1cccc(O)c1F)c1cn2c(n1)CCCC2 ZINC000368475271 301036154 /nfs/dbraw/zinc/03/61/54/301036154.db2.gz XSTPBTHEFLIBBX-UHFFFAOYSA-N -2 0 311.338 1.865 20 0 DDADRL C[C@@](CNS(=O)(=O)CCC1CCCC1)(CC(=O)[O-])C(=O)[O-] ZINC000516546143 302792067 /nfs/dbraw/zinc/79/20/67/302792067.db2.gz OPSHQORJOYFEHG-ZDUSSCGKSA-N -2 0 321.395 1.052 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cnn1C ZINC000532048111 303272391 /nfs/dbraw/zinc/27/23/91/303272391.db2.gz GTTAGNFKHHJSJQ-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL CC(C)(C)CC[C@@H]([N-]S(=O)(=O)CC(F)(F)F)C(=O)[O-] ZINC000563572409 307975855 /nfs/dbraw/zinc/97/58/55/307975855.db2.gz VPMXACDPMYHCCX-SSDOTTSWSA-N -2 0 305.318 1.748 20 0 DDADRL CCc1ccccc1-n1cc([O-])c(C(=O)N(C)CC(=O)[O-])n1 ZINC000582300711 326008269 /nfs/dbraw/zinc/00/82/69/326008269.db2.gz AACAQVKTCIOFPF-UHFFFAOYSA-N -2 0 303.318 1.297 20 0 DDADRL C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000663057459 484633488 /nfs/dbraw/zinc/63/34/88/484633488.db2.gz RSZWBEHFUXFDDS-PWSUYJOCSA-N -2 0 321.329 1.475 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2cccc(NC(=O)[O-])c2)cn1C ZINC000738869604 600023788 /nfs/dbraw/zinc/02/37/88/600023788.db2.gz WUZIOCFCFSVLRK-UHFFFAOYSA-N -2 0 310.335 1.619 20 0 DDADRL Cc1nn(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1C ZINC000738917574 600126873 /nfs/dbraw/zinc/12/68/73/600126873.db2.gz BVPHQFRWZCZRKS-UHFFFAOYSA-N -2 0 315.376 1.597 20 0 DDADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c[nH]cn2)c(F)cc1F ZINC000070415541 600254712 /nfs/dbraw/zinc/25/47/12/600254712.db2.gz LDLQODVGUCVEIO-UHFFFAOYSA-N -2 0 303.246 1.187 20 0 DDADRL Cn1ccc2c1cccc2C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000739038454 600756739 /nfs/dbraw/zinc/75/67/39/600756739.db2.gz HWNPDDDDAGYRDG-UHFFFAOYSA-N -2 0 324.358 1.103 20 0 DDADRL O=C([O-])C[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)c1cccc(Cl)c1 ZINC000833200065 600814253 /nfs/dbraw/zinc/81/42/53/600814253.db2.gz GUYXORDNRVGGDS-MRVPVSSYSA-N -2 0 310.697 1.110 20 0 DDADRL O=C([O-])Cn1ccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)n1 ZINC000833277732 600926859 /nfs/dbraw/zinc/92/68/59/600926859.db2.gz XVOSWTDWPKMXMC-UHFFFAOYSA-N -2 0 318.314 1.650 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000828863067 601239843 /nfs/dbraw/zinc/23/98/43/601239843.db2.gz UUTYYIKCSFKRNL-UWVGGRQHSA-N -2 0 305.396 1.512 20 0 DDADRL O=C([O-])CCCCCNC(=O)CSc1n[n-]c(=S)s1 ZINC000833224796 601272909 /nfs/dbraw/zinc/27/29/09/601272909.db2.gz MZMRZUXUICQJQE-UHFFFAOYSA-N -2 0 321.449 1.680 20 0 DDADRL COCCS(=O)(=O)[N-]c1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000831788468 601362918 /nfs/dbraw/zinc/36/29/18/601362918.db2.gz VCGAXMHCRMMYMK-UHFFFAOYSA-N -2 0 322.408 1.527 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nnc(C3CC3)s2)o1 ZINC000833324611 601502981 /nfs/dbraw/zinc/50/29/81/601502981.db2.gz XKQZVBAGSMCXFH-UHFFFAOYSA-N -2 0 315.332 1.508 20 0 DDADRL O=C([O-])N(CCNC(=O)c1c([O-])cc(F)cc1F)C1CC1 ZINC000740438719 602065442 /nfs/dbraw/zinc/06/54/42/602065442.db2.gz BNOUADODPUWXTR-UHFFFAOYSA-N -2 0 300.261 1.543 20 0 DDADRL CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-])cc1 ZINC000829566321 602179081 /nfs/dbraw/zinc/17/90/81/602179081.db2.gz IFPYLXGCTXYTRX-SNVBAGLBSA-N -2 0 313.375 1.555 20 0 DDADRL CCC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000739321162 602669837 /nfs/dbraw/zinc/66/98/37/602669837.db2.gz UWIXVBDKWCMPRX-NSHDSACASA-N -2 0 314.363 1.069 20 0 DDADRL CCN(C(=O)c1ccc2[n-]c(=S)oc2c1)C1CN(C(=O)[O-])C1 ZINC000826983302 604626610 /nfs/dbraw/zinc/62/66/10/604626610.db2.gz LDRKPLQHLGNERJ-UHFFFAOYSA-N -2 0 321.358 1.941 20 0 DDADRL O=C([O-])C[C@H]1CCCN1Cc1c([O-])nnn1-c1ccccc1 ZINC000833210967 604979359 /nfs/dbraw/zinc/97/93/59/604979359.db2.gz SMQBPSGMRBEOMO-GFCCVEGCSA-N -2 0 302.334 1.412 20 0 DDADRL C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833605546 605118980 /nfs/dbraw/zinc/11/89/80/605118980.db2.gz QBKITNJPELONOE-RCOVLWMOSA-N -2 0 317.750 1.499 20 0 DDADRL C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000833602200 605188332 /nfs/dbraw/zinc/18/83/32/605188332.db2.gz PWUBLROLOBCEPC-JGVFFNPUSA-N -2 0 317.388 1.687 20 0 DDADRL CCc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)no1 ZINC000833675003 605305497 /nfs/dbraw/zinc/30/54/97/605305497.db2.gz KVHHMLOCAWCINE-UHFFFAOYSA-N -2 0 311.319 1.439 20 0 DDADRL CCC[C@H](NC(=O)c1ccc(NC(=O)[O-])c(C)c1)c1nnn[n-]1 ZINC000826764904 605440620 /nfs/dbraw/zinc/44/06/20/605440620.db2.gz MEMDKTLADBUMPK-NSHDSACASA-N -2 0 318.337 1.869 20 0 DDADRL O=C([O-])c1cn(C2CN(C(=O)c3ccc([O-])c(Cl)c3)C2)nn1 ZINC000317461466 605725281 /nfs/dbraw/zinc/72/52/81/605725281.db2.gz OVTOBABTFMJBKV-UHFFFAOYSA-N -2 0 322.708 1.032 20 0 DDADRL O=C([O-])Nc1ccc(NC(=O)C(=O)[N-]OC2CCCC2)cc1 ZINC000834262089 605957967 /nfs/dbraw/zinc/95/79/67/605957967.db2.gz IBPVMAAUYAWCCB-UHFFFAOYSA-N -2 0 307.306 1.705 20 0 DDADRL O=C([O-])N[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)CC2CCC2)C1 ZINC000834168964 606030109 /nfs/dbraw/zinc/03/01/09/606030109.db2.gz JYQNFCMNGGUKLZ-QWRGUYRKSA-N -2 0 318.395 1.059 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000834162333 606030414 /nfs/dbraw/zinc/03/04/14/606030414.db2.gz CYXUMKFXTSHMRO-JHJVBQTASA-N -2 0 320.345 1.235 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])C1 ZINC000834162254 606031591 /nfs/dbraw/zinc/03/15/91/606031591.db2.gz BZAWLXCEPRDWNR-MLGHIDQZSA-N -2 0 324.377 1.667 20 0 DDADRL C[C@H](CC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-])NC(=O)[O-] ZINC000833800657 606046080 /nfs/dbraw/zinc/04/60/80/606046080.db2.gz PKMQNHMHFCMDCR-NWDGAFQWSA-N -2 0 322.361 1.782 20 0 DDADRL O=C([O-])CCN(C(=O)C[C@H](NC(=O)[O-])c1ccccc1)C1CC1 ZINC000834058296 606046773 /nfs/dbraw/zinc/04/67/73/606046773.db2.gz BMEYPFORWIGIOC-ZDUSSCGKSA-N -2 0 320.345 1.851 20 0 DDADRL C[C@@H](C(=O)[O-])[C@@H](NC(=O)CC1CN(C(=O)[O-])C1)c1ccccc1 ZINC000833791998 606053948 /nfs/dbraw/zinc/05/39/48/606053948.db2.gz XMVCIBUKBNCBHW-QMTHXVAHSA-N -2 0 320.345 1.565 20 0 DDADRL Cc1oc(CN(C)C(=O)[C@H](NC(=O)[O-])C(C)C)cc1C(=O)[O-] ZINC000833934836 606055095 /nfs/dbraw/zinc/05/50/95/606055095.db2.gz NUJZFWIHHCFYKS-LLVKDONJSA-N -2 0 312.322 1.537 20 0 DDADRL Cc1oc(CN(C)C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)cc1C(=O)[O-] ZINC000833934324 606055430 /nfs/dbraw/zinc/05/54/30/606055430.db2.gz GJUKGJDKMIMXMG-UWVGGRQHSA-N -2 0 324.333 1.681 20 0 DDADRL O=C([O-])COc1cccc(NC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])c1 ZINC000834066630 606057097 /nfs/dbraw/zinc/05/70/97/606057097.db2.gz UISLDEIPZNQQQY-VXGBXAGGSA-N -2 0 322.317 1.525 20 0 DDADRL O=C([O-])c1ccc(NC(=O)[C@H]2CCCCN2C(=O)[O-])cc1F ZINC000834282516 606065427 /nfs/dbraw/zinc/06/54/27/606065427.db2.gz ASLZDAXIZHIGDT-LLVKDONJSA-N -2 0 310.281 1.995 20 0 DDADRL CCCCC[C@H](NC(=O)CC1CCN(C(=O)[O-])CC1)C(=O)[O-] ZINC000833853460 606067772 /nfs/dbraw/zinc/06/77/72/606067772.db2.gz PZEQFTPPAUASGU-LBPRGKRZSA-N -2 0 314.382 1.916 20 0 DDADRL O=C([O-])CC1(CNC(=O)[C@@H]2CCN(C(=O)[O-])C2)CCCCC1 ZINC000834060905 606113940 /nfs/dbraw/zinc/11/39/40/606113940.db2.gz MKNGRSLLYHESQP-LLVKDONJSA-N -2 0 312.366 1.528 20 0 DDADRL O=C([O-])c1cccc(CCNC(=O)[C@@H]2CSCN2C(=O)[O-])c1 ZINC000834282802 606113893 /nfs/dbraw/zinc/11/38/93/606113893.db2.gz GKERBZOFKQMIFP-NSHDSACASA-N -2 0 324.358 1.096 20 0 DDADRL CCC(=O)[N-][N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000060544856 696311427 /nfs/dbraw/zinc/31/14/27/696311427.db2.gz USVPYECIRAZZQR-UHFFFAOYSA-N -2 0 303.192 1.774 20 0 DDADRL CCCC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)[O-] ZINC000747849393 700089874 /nfs/dbraw/zinc/08/98/74/700089874.db2.gz ZETADBGESVKQFE-MRVPVSSYSA-N -2 0 321.376 1.368 20 0 DDADRL CC(C)C[C@@H](C)S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000776718105 698133056 /nfs/dbraw/zinc/13/30/56/698133056.db2.gz MYGQQIYLGATWGD-ZWNOBZJWSA-N -2 0 321.395 1.002 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)nn1C ZINC000817354637 702348889 /nfs/dbraw/zinc/34/88/89/702348889.db2.gz OUGUMOUKYHSPIB-UHFFFAOYSA-N -2 0 323.374 1.410 20 0 DDADRL C[C@H](CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)C(=O)[O-] ZINC000856721688 704535301 /nfs/dbraw/zinc/53/53/01/704535301.db2.gz CZHDCMXJVGALNN-ZCFIWIBFSA-N -2 0 321.738 1.037 20 0 DDADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)C1CC1 ZINC000863952178 706044640 /nfs/dbraw/zinc/04/46/40/706044640.db2.gz MSOSYDBPDROQIR-SNVBAGLBSA-N -2 0 317.750 1.256 20 0 DDADRL CCCOc1ccc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])cc1 ZINC000863958610 706046592 /nfs/dbraw/zinc/04/65/92/706046592.db2.gz DUVZNSXVJFRTPW-UHFFFAOYSA-N -2 0 315.347 1.145 20 0 DDADRL Cc1cc(C)c(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)s1 ZINC000863964187 706047878 /nfs/dbraw/zinc/04/78/78/706047878.db2.gz ORBXLQSCSMDGPX-SECBINFHSA-N -2 0 319.404 1.527 20 0 DDADRL COC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000909376294 713003455 /nfs/dbraw/zinc/00/34/55/713003455.db2.gz KGZGDIQXZCFJRK-CYBMUJFWSA-N -2 0 319.716 1.794 20 0 DDADRL COC[C@](C)(CC(=O)[O-])NC(=O)c1cc(O)ccc1Cl ZINC000909377214 713003882 /nfs/dbraw/zinc/00/38/82/713003882.db2.gz ZWHPPJSKNXTEPO-ZDUSSCGKSA-N -2 0 301.726 1.655 20 0 DDADRL CC1(C)CCCC[C@@H]1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910181949 709800661 /nfs/dbraw/zinc/80/06/61/709800661.db2.gz FWQBOARYRDUPHA-UTUOFQBUSA-N -2 0 311.378 1.979 20 0 DDADRL Cc1cc(C)cc(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910184600 709801331 /nfs/dbraw/zinc/80/13/31/709801331.db2.gz UPDSPQOMDBOTKC-UONOGXRCSA-N -2 0 319.357 1.622 20 0 DDADRL Cc1ccc(CC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])s1 ZINC000910189293 709804117 /nfs/dbraw/zinc/80/41/17/709804117.db2.gz RUXSVFVWCWEMGL-KOLCDFICSA-N -2 0 311.359 1.375 20 0 DDADRL Cn1[n-]nnc1=NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000910422371 709933495 /nfs/dbraw/zinc/93/34/95/709933495.db2.gz PFGZUEBLBVTULY-CQSZACIVSA-N -2 0 311.345 1.141 20 0 DDADRL COCCOCc1cc(=O)n(-c2ccc(CC(=O)[O-])cc2)[n-]1 ZINC000905020659 711911292 /nfs/dbraw/zinc/91/12/92/711911292.db2.gz RYNWUEIYEBQBSB-UHFFFAOYSA-N -2 0 306.318 1.069 20 0 DDADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000906000396 712216631 /nfs/dbraw/zinc/21/66/31/712216631.db2.gz WPKQSWNJSZVIBF-UHFFFAOYSA-N -2 0 319.285 1.059 20 0 DDADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCCC3(CC3)C2)c1 ZINC000906934635 712442374 /nfs/dbraw/zinc/44/23/74/712442374.db2.gz NWRLDPCAZBAZNS-UHFFFAOYSA-N -2 0 311.359 1.655 20 0 DDADRL CC(C)(C)Oc1ccc(C(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001187372900 744551231 /nfs/dbraw/zinc/55/12/31/744551231.db2.gz PDWZZBTVFZBJKC-UHFFFAOYSA-N -2 0 317.278 1.703 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1ncsc1C(F)(F)F ZINC001188216840 744676918 /nfs/dbraw/zinc/67/69/18/744676918.db2.gz QJDDRTAQGUMCJY-UHFFFAOYSA-N -2 0 320.185 1.001 20 0 DDADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ncccc2O)cc1 ZINC001192107087 745692229 /nfs/dbraw/zinc/69/22/29/745692229.db2.gz XJJCIRFMZFXJJD-UHFFFAOYSA-N -2 0 322.342 1.605 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cnccc1-c1ccccc1 ZINC001196486437 746874332 /nfs/dbraw/zinc/87/43/32/746874332.db2.gz YQILHUQPTGGSIN-UHFFFAOYSA-N -2 0 322.257 1.588 20 0 DDADRL CC(=O)c1cccnc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198739695 747585162 /nfs/dbraw/zinc/58/51/62/747585162.db2.gz WJPWTGXCXZXQNM-UHFFFAOYSA-N -2 0 320.326 1.783 20 0 DDADRL CCn1c(C)cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1C ZINC000825117615 759222992 /nfs/dbraw/zinc/22/29/92/759222992.db2.gz RIZDZCJRWIHGQL-WCQYABFASA-N -2 0 322.361 1.515 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc3c(s2)CCC3)C1 ZINC000827898061 759413402 /nfs/dbraw/zinc/41/34/02/759413402.db2.gz UNPIZPKGCAANTC-NXEZZACHSA-N -2 0 323.370 1.627 20 0 DDADRL O=C([O-])C(F)(F)C(F)(F)C(=O)Nc1cc(=O)[n-]c(Cl)n1 ZINC001180171150 779652199 /nfs/dbraw/zinc/65/21/99/779652199.db2.gz RQFZTGRJBRWYOT-UHFFFAOYSA-N -2 0 317.582 1.129 20 0 DDADRL CCCCOc1ccc(C(=O)NCc2nc(=O)o[n-]2)c(O)c1 ZINC001116741134 780551608 /nfs/dbraw/zinc/55/16/08/780551608.db2.gz OMFDDNYZNDLRCF-UHFFFAOYSA-N -2 0 307.306 1.177 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1c2cc[nH]c2ccc1F ZINC001155438035 862088242 /nfs/dbraw/zinc/08/82/42/862088242.db2.gz NAXZZXUQCHWTIA-UHFFFAOYSA-N -2 0 302.198 1.146 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(Cl)nc2ccc(F)cc21 ZINC001157786744 864137005 /nfs/dbraw/zinc/13/70/05/864137005.db2.gz ANLGIAHVZMLDSA-UHFFFAOYSA-N -2 0 321.632 1.944 20 0 DDADRL O=P([O-])([O-])OCCNC(F)(F)Oc1cccc(Cl)n1 ZINC001157787514 864140071 /nfs/dbraw/zinc/14/00/71/864140071.db2.gz LEWTYDGEWIFHAA-UHFFFAOYSA-N -2 0 318.600 1.363 20 0 DDADRL Cc1ccccc1[C@@H](C)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21 ZINC001226888801 882704383 /nfs/dbraw/zinc/70/43/83/882704383.db2.gz VGZVZMDGGBSOTD-MRVPVSSYSA-N -2 0 314.301 1.985 20 0 DDADRL O=C([O-])c1cc(F)c(-c2cncc(-c3nn[nH]n3)c2)c(F)c1 ZINC001222407834 880446095 /nfs/dbraw/zinc/44/60/95/880446095.db2.gz KMNHQUMVPDTKRG-UHFFFAOYSA-N -2 0 303.228 1.905 20 0 DDADRL CCSc1cccnc1C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001364208989 888147491 /nfs/dbraw/zinc/14/74/91/888147491.db2.gz XMPRUPKEDUDQGE-UHFFFAOYSA-N -2 0 306.347 1.325 20 0 DDADRL COc1cc(C(=O)[O-])ccc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001240738747 891029469 /nfs/dbraw/zinc/02/94/69/891029469.db2.gz WPWOAJQLMGSGRZ-UHFFFAOYSA-N -3 0 308.226 1.863 20 0 DDADRL CCc1ccc(NC(=S)NCCOP(=O)([O-])[O-])cc1 ZINC001247359882 893172898 /nfs/dbraw/zinc/17/28/98/893172898.db2.gz BSKZBDASSVHIPD-UHFFFAOYSA-N -2 0 304.308 1.645 20 0 DDADRL C[C@H]1C[C@@H]1c1nnc(-c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)o1 ZINC001256746560 897568952 /nfs/dbraw/zinc/56/89/52/897568952.db2.gz HTUYVVYNTVCFLC-WKEGUHRASA-N -2 0 324.314 1.805 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccn3ccnc3c2)c1 ZINC001260185271 899078507 /nfs/dbraw/zinc/07/85/07/899078507.db2.gz ZJIHZHKCNGBPPD-UHFFFAOYSA-N -2 0 317.326 1.833 20 0 DDADRL CCc1cccnc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260392536 899132894 /nfs/dbraw/zinc/13/28/94/899132894.db2.gz DVNQDOFERRCWQK-UHFFFAOYSA-N -2 0 322.342 1.849 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2cnc(C)nc2)cc1C(=O)[O-] ZINC000271060839 539278256 /nfs/dbraw/zinc/27/82/56/539278256.db2.gz LCXNMRSILXATHP-UHFFFAOYSA-N -2 0 310.335 1.105 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)cc1 ZINC000590695930 355150656 /nfs/dbraw/zinc/15/06/56/355150656.db2.gz HAVIFJJMDWORFB-UHFFFAOYSA-N -2 0 319.342 1.853 20 0 DDADRL O=C([O-])[C@@H](Cc1ccccc1)[N-]S(=O)(=O)CC(F)(F)F ZINC000262591658 304094559 /nfs/dbraw/zinc/09/45/59/304094559.db2.gz FJTONJNYEKHYMK-SECBINFHSA-N -2 0 311.281 1.164 20 0 DDADRL C[C@H]1OCC[C@H]1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000566313936 304143374 /nfs/dbraw/zinc/14/33/74/304143374.db2.gz VASORZRUISJWMK-LHLIQPBNSA-N -2 0 321.301 1.582 20 0 DDADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(F)ccc1C(=O)[O-] ZINC000021014372 182260669 /nfs/dbraw/zinc/26/06/69/182260669.db2.gz REFHMZBDHJGRMP-UHFFFAOYSA-N -2 0 313.310 1.665 20 0 DDADRL Cc1c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cnn1C ZINC000336848601 249255150 /nfs/dbraw/zinc/25/51/50/249255150.db2.gz LKDPXBSRRMLLKX-UHFFFAOYSA-N -2 0 309.347 1.156 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c[nH]1 ZINC000338878421 250178609 /nfs/dbraw/zinc/17/86/09/250178609.db2.gz OBEFISBNPKWATF-UHFFFAOYSA-N -2 0 305.315 1.995 20 0 DDADRL O=C([O-])C1(NS(=O)(=O)c2cccs2)CCSCC1 ZINC000567498288 304224125 /nfs/dbraw/zinc/22/41/25/304224125.db2.gz OOFFMFBXNBTIES-UHFFFAOYSA-N -2 0 307.418 1.377 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)nc1C ZINC000062947170 184261695 /nfs/dbraw/zinc/26/16/95/184261695.db2.gz JBZMRAPPFWXMJG-UHFFFAOYSA-N -2 0 310.335 1.105 20 0 DDADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000352443229 285053632 /nfs/dbraw/zinc/05/36/32/285053632.db2.gz GUNJOKQKUIAXMW-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CCOC ZINC000267844066 407855488 /nfs/dbraw/zinc/85/54/88/407855488.db2.gz AARLZUAYBXKBEN-UHFFFAOYSA-N -2 0 317.363 1.562 20 0 DDADRL Cc1cc(F)c(S(=O)(=O)NCCC(C)(C)O)cc1C(=O)[O-] ZINC000274823297 408545102 /nfs/dbraw/zinc/54/51/02/408545102.db2.gz XUTWHNUCPVBVAR-UHFFFAOYSA-N -2 0 319.354 1.272 20 0 DDADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1)C(=O)[O-] ZINC000184900440 408714329 /nfs/dbraw/zinc/71/43/29/408714329.db2.gz HPFPKMUKARUNJC-NSHDSACASA-N -2 0 323.374 1.864 20 0 DDADRL O=C([N-]OC/C=C/Cl)C1(C(=O)[N-]OC/C=C/Cl)CCC1 ZINC000292242364 409008952 /nfs/dbraw/zinc/00/89/52/409008952.db2.gz SYBOMPTVXFPPBY-YPCIICBESA-N -2 0 323.176 1.757 20 0 DDADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C)nc1 ZINC000343278808 410304427 /nfs/dbraw/zinc/30/44/27/410304427.db2.gz YFSQFBJUFLULBU-UHFFFAOYSA-N -2 0 323.330 1.298 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc3c2OCO3)c1 ZINC000359855390 410917618 /nfs/dbraw/zinc/91/76/18/410917618.db2.gz KITNMWSPFJRESX-UHFFFAOYSA-N -2 0 321.310 1.914 20 0 DDADRL CCCCS(=O)(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000548197262 421410761 /nfs/dbraw/zinc/41/07/61/421410761.db2.gz GXKRXELZVYNYKZ-UHFFFAOYSA-N -2 0 301.320 1.625 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]CC1(CC(=O)[O-])CCC1 ZINC000548264266 421415205 /nfs/dbraw/zinc/41/52/05/421415205.db2.gz ZYHRMBADNHRBBT-SSDOTTSWSA-N -2 0 303.302 1.502 20 0 DDADRL COc1cc2nc(-c3nc(C4CC4)n[nH]3)[nH]c(=O)c2c(OC)c1 ZINC000557083123 421758735 /nfs/dbraw/zinc/75/87/35/421758735.db2.gz LBGHOGRBZFMWHD-UHFFFAOYSA-N -2 0 313.317 1.603 20 0 DDADRL Cc1cc(=O)[nH]c([C@@H](C)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)n1 ZINC000521257444 421779670 /nfs/dbraw/zinc/77/96/70/421779670.db2.gz JWITYSYGNSFTSO-PRHODGIISA-N -2 0 319.283 1.891 20 0 DDADRL CCCc1n[n-]c(=NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)s1 ZINC000630555465 422177146 /nfs/dbraw/zinc/17/71/46/422177146.db2.gz AWYATYIGNUDYRY-DTWKUNHWSA-N -2 0 312.395 1.487 20 0 DDADRL Cc1cc(CNS(=O)(=O)c2cc(C(=O)[O-])c(C)o2)no1 ZINC000645951314 423259929 /nfs/dbraw/zinc/25/99/29/423259929.db2.gz JACBSXVUCMTCGW-UHFFFAOYSA-N -2 0 300.292 1.061 20 0 DDADRL CC[C@H](C(=O)[O-])N(C)C(=O)c1cnc2cc(OC)ccc2c1O ZINC000653461631 423485766 /nfs/dbraw/zinc/48/57/66/423485766.db2.gz DJUGGYLBOLNAAY-CYBMUJFWSA-N -2 0 318.329 1.472 20 0 DDADRL CCCCCc1n[n-]c(=NC(=O)NC[C@@H](C)C(=O)[O-])s1 ZINC000653534379 423516277 /nfs/dbraw/zinc/51/62/77/423516277.db2.gz JHWSHVINORWUBA-MRVPVSSYSA-N -2 0 300.384 1.535 20 0 DDADRL O=C([O-])COc1cccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000656857984 423807316 /nfs/dbraw/zinc/80/73/16/423807316.db2.gz VIEASNGZEXYCNR-NSHDSACASA-N -2 0 307.302 1.087 20 0 DDADRL Cc1nc(=NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)s[n-]1 ZINC000354276395 298390297 /nfs/dbraw/zinc/39/02/97/298390297.db2.gz WJUSWTDDBLHXCX-UHFFFAOYSA-N -2 0 322.296 1.640 20 0 DDADRL CCc1ccc(S(=O)(=O)[N-]c2cnc(C)nc2)cc1C(=O)[O-] ZINC000395141611 307295913 /nfs/dbraw/zinc/29/59/13/307295913.db2.gz CPEWBWLTWCLAQL-UHFFFAOYSA-N -2 0 321.358 1.846 20 0 DDADRL COc1cc(C)c([N-]S(=O)(=O)c2cccnc2)c(C(=O)[O-])c1 ZINC000547615384 307741180 /nfs/dbraw/zinc/74/11/80/307741180.db2.gz QMYMBRVYJRPBID-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL O=C([O-])[C@@H](C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1)C1CC1 ZINC000663056590 484632766 /nfs/dbraw/zinc/63/27/66/484632766.db2.gz CSPAHCLZYCGPFB-HZSPNIEDSA-N -2 0 317.341 1.424 20 0 DDADRL Cc1nn(C)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1C ZINC000738919178 600244411 /nfs/dbraw/zinc/24/44/11/600244411.db2.gz RSTRHISEFISART-UHFFFAOYSA-N -2 0 323.374 1.465 20 0 DDADRL Cc1cc(NC(=O)c2n[n-]c3ccccc3c2=O)c(C(=O)[O-])[nH]1 ZINC000738452087 600485591 /nfs/dbraw/zinc/48/55/91/600485591.db2.gz HZDQJHUVOJVZEG-UHFFFAOYSA-N -2 0 312.285 1.922 20 0 DDADRL COc1ccccc1S(=O)(=O)[N-]c1cnccc1C(=O)[O-] ZINC000079701165 600514195 /nfs/dbraw/zinc/51/41/95/600514195.db2.gz GICXTQINMXZTSI-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1C(=O)[O-] ZINC000037302558 600658236 /nfs/dbraw/zinc/65/82/36/600658236.db2.gz ZLCKNSMDBVQMIZ-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL CC(C)c1ccccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000314339774 600673450 /nfs/dbraw/zinc/67/34/50/600673450.db2.gz MMMIJHCNIZNMNO-UHFFFAOYSA-N -2 0 323.374 1.892 20 0 DDADRL CCc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC000232264065 601348127 /nfs/dbraw/zinc/34/81/27/601348127.db2.gz ZRQHGQWSSNKLAV-UHFFFAOYSA-N -2 0 313.360 1.600 20 0 DDADRL CSc1n[nH]c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC000832798445 601847688 /nfs/dbraw/zinc/84/76/88/601847688.db2.gz JWMKSKADHGTVMJ-UHFFFAOYSA-N -2 0 320.377 1.087 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833329600 601919183 /nfs/dbraw/zinc/91/91/83/601919183.db2.gz RHDLKGBBBZBIBW-UHFFFAOYSA-N -2 0 300.270 1.408 20 0 DDADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000827304450 602179146 /nfs/dbraw/zinc/17/91/46/602179146.db2.gz VGXYWSGLGRYLIB-ZETCQYMHSA-N -2 0 305.739 1.256 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2cccc(CNC(=O)[O-])c2)cn1 ZINC000739569653 602655269 /nfs/dbraw/zinc/65/52/69/602655269.db2.gz DTBYKMYUXWWUHO-UHFFFAOYSA-N -2 0 324.362 1.471 20 0 DDADRL COCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cc1 ZINC000833726215 605050486 /nfs/dbraw/zinc/05/04/86/605050486.db2.gz WVKZNYCYBTZGJR-UHFFFAOYSA-N -2 0 322.342 1.727 20 0 DDADRL CC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000827532221 605172336 /nfs/dbraw/zinc/17/23/36/605172336.db2.gz RNNVTLXMJYVYHN-VIFPVBQESA-N -2 0 320.754 1.191 20 0 DDADRL COc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)ncn1 ZINC000833728906 605264656 /nfs/dbraw/zinc/26/46/56/605264656.db2.gz DMXJOPRIGWHTIA-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL C/C(=C/C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1)C(C)(C)C ZINC000823528076 605272871 /nfs/dbraw/zinc/27/28/71/605272871.db2.gz PLXWGUNNVMTSKT-UJICNMFASA-N -2 0 318.395 1.177 20 0 DDADRL O=C([O-])c1cccc(CCNC(=O)CN(CC2CC2)C(=O)[O-])c1 ZINC000834007772 605306186 /nfs/dbraw/zinc/30/61/86/605306186.db2.gz YDQUIQVJDCGLBV-UHFFFAOYSA-N -2 0 320.345 1.434 20 0 DDADRL CC(C)(C)c1nc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)no1 ZINC000833451160 605585293 /nfs/dbraw/zinc/58/52/93/605585293.db2.gz RXEKVTLFQYAVGV-UHFFFAOYSA-N -2 0 314.323 1.194 20 0 DDADRL COc1cc(O)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000833729482 605596874 /nfs/dbraw/zinc/59/68/74/605596874.db2.gz UBWQQWCYINQJFQ-UHFFFAOYSA-N -2 0 313.287 1.493 20 0 DDADRL O=C([O-])Cc1csc(NC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])n1 ZINC000834069091 606027648 /nfs/dbraw/zinc/02/76/48/606027648.db2.gz PFXYYUAKWNLSEB-YUMQZZPRSA-N -2 0 313.335 1.145 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CN(CC1CC1)C(=O)[O-] ZINC000834057898 606030696 /nfs/dbraw/zinc/03/06/96/606030696.db2.gz ITXYHAUVTXLFLI-XQQFMLRXSA-N -2 0 324.377 1.621 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C1CCN(C(=O)[O-])CC1 ZINC000834058345 606031107 /nfs/dbraw/zinc/03/11/07/606031107.db2.gz MDUNWIDSUXOVTI-XQQFMLRXSA-N -2 0 324.377 1.621 20 0 DDADRL O=C([O-])[C@@H]1CC12CCN(C(=O)CN(CC1CC1)C(=O)[O-])CC2 ZINC000834060206 606034346 /nfs/dbraw/zinc/03/43/46/606034346.db2.gz VYQFONFYQHMSQC-NSHDSACASA-N -2 0 310.350 1.090 20 0 DDADRL O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000834282737 606034781 /nfs/dbraw/zinc/03/47/81/606034781.db2.gz DIOUJMMLSNAFNO-ZDUSSCGKSA-N -2 0 318.329 1.806 20 0 DDADRL C[C@@H](CC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-])NC(=O)[O-] ZINC000833800659 606046208 /nfs/dbraw/zinc/04/62/08/606046208.db2.gz PKMQNHMHFCMDCR-RYUDHWBXSA-N -2 0 322.361 1.782 20 0 DDADRL O=C([O-])CN(Cc1ccccc1)C(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000834065678 606048379 /nfs/dbraw/zinc/04/83/79/606048379.db2.gz OSKYFOFDYZJYOC-ZDUSSCGKSA-N -2 0 320.345 1.490 20 0 DDADRL O=C([O-])CC[C@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)c1ccccc1 ZINC000834059936 606050295 /nfs/dbraw/zinc/05/02/95/606050295.db2.gz MBUAYHDGQBYZAE-OLZOCXBDSA-N -2 0 320.345 1.709 20 0 DDADRL O=C([O-])N[C@@H](CCC(=O)N[C@@H](C(=O)[O-])C1CC1)c1ccccc1 ZINC000834137740 606053534 /nfs/dbraw/zinc/05/35/34/606053534.db2.gz ONKOJXPHICNIDS-GXTWGEPZSA-N -2 0 320.345 1.755 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)NCC2(C(=O)[O-])CCCC2)cc1 ZINC000834247593 606064102 /nfs/dbraw/zinc/06/41/02/606064102.db2.gz YXROVLYIMATFHT-UHFFFAOYSA-N -2 0 320.345 1.829 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000834171031 606066974 /nfs/dbraw/zinc/06/69/74/606066974.db2.gz CHOQKEFNODJLTI-WCBMZHEXSA-N -2 0 310.281 1.899 20 0 DDADRL C[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccccc1F ZINC000736215732 699720485 /nfs/dbraw/zinc/72/04/85/699720485.db2.gz NDHZKMFNCARMCT-SECBINFHSA-N -2 0 317.338 1.240 20 0 DDADRL Cn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1C1CC1 ZINC000769873128 701259990 /nfs/dbraw/zinc/25/99/90/701259990.db2.gz VJDSPDAPSVHDMN-UHFFFAOYSA-N -2 0 321.358 1.797 20 0 DDADRL Cc1ccccc1-c1nc(C(=O)[N-]n2c(=O)[n-][nH]c2=O)cs1 ZINC000816730635 702167589 /nfs/dbraw/zinc/16/75/89/702167589.db2.gz IHYVIXQJSFPFQJ-UHFFFAOYSA-N -2 0 317.330 1.505 20 0 DDADRL O=C([O-])c1ccc(CNC(=O)C(=O)[N-]OC2CCCCC2)cc1 ZINC000817115395 702274921 /nfs/dbraw/zinc/27/49/21/702274921.db2.gz PYYUKVMFNNWAJB-UHFFFAOYSA-N -2 0 320.345 1.382 20 0 DDADRL O=C([O-])CC1(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)CCC1 ZINC000863952266 706044695 /nfs/dbraw/zinc/04/46/95/706044695.db2.gz QCKGVTFBMQAHKG-UHFFFAOYSA-N -2 0 315.322 1.276 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)cc1C ZINC000863952259 706044772 /nfs/dbraw/zinc/04/47/72/706044772.db2.gz PSXIKCYLFDKVFV-GFCCVEGCSA-N -2 0 313.375 1.465 20 0 DDADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000863952658 706044984 /nfs/dbraw/zinc/04/49/84/706044984.db2.gz BLIGRZFEMXCRCT-UHFFFAOYSA-N -2 0 319.766 1.790 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)c(C)s1 ZINC000863954397 706045792 /nfs/dbraw/zinc/04/57/92/706045792.db2.gz XOQWOJGBOBOJCI-JTQLQIEISA-N -2 0 317.388 1.281 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)C(CC)(CC)C(=O)[O-] ZINC000863954906 706045799 /nfs/dbraw/zinc/04/57/99/706045799.db2.gz RFOQJWRMUVDYHD-SNVBAGLBSA-N -2 0 307.412 1.760 20 0 DDADRL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])c1 ZINC000863957169 706046202 /nfs/dbraw/zinc/04/62/02/706046202.db2.gz UPYPXTFGGNNJCC-UHFFFAOYSA-N -2 0 317.338 1.584 20 0 DDADRL CCc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CC2)cc1 ZINC000863959200 706046682 /nfs/dbraw/zinc/04/66/82/706046682.db2.gz XGMRWJVCTFRLRU-GFCCVEGCSA-N -2 0 311.359 1.165 20 0 DDADRL O=C([O-])CCC(=O)[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000863961330 706046847 /nfs/dbraw/zinc/04/68/47/706046847.db2.gz LZIIMNZDOPTOMX-UHFFFAOYSA-N -2 0 305.739 1.151 20 0 DDADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1cc2ccccc2o1)C1CC1 ZINC000863964117 706047542 /nfs/dbraw/zinc/04/75/42/706047542.db2.gz FEOYHQXRNDMHJB-GFCCVEGCSA-N -2 0 323.326 1.349 20 0 DDADRL CS[C@H]1CC[C@H](NS(=O)(=O)c2occc2C(=O)[O-])C1 ZINC000871994539 707272991 /nfs/dbraw/zinc/27/29/91/707272991.db2.gz XAKFOZZILIAPRA-YUMQZZPRSA-N -2 0 305.377 1.540 20 0 DDADRL CC(C)(CC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])CC(F)F ZINC000910181833 709800375 /nfs/dbraw/zinc/80/03/75/709800375.db2.gz GNFCDMQVHCWZNV-BDAKNGLRSA-N -2 0 321.320 1.834 20 0 DDADRL CCC[C@@H]1CCC[C@@H]1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910181159 709800630 /nfs/dbraw/zinc/80/06/30/709800630.db2.gz CGMJBCDOTIMTDI-FVCCEPFGSA-N -2 0 311.378 1.979 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC000910181323 709800647 /nfs/dbraw/zinc/80/06/47/709800647.db2.gz CVTLZZUUGVRODO-QJPTWQEYSA-N -2 0 309.362 1.733 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(F)cc(F)c1 ZINC000910184978 709801592 /nfs/dbraw/zinc/80/15/92/709801592.db2.gz HKMYQUZEVSLUFD-WRWORJQWSA-N -2 0 313.256 1.355 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc(F)ccc2F)C1 ZINC000910186609 709802608 /nfs/dbraw/zinc/80/26/08/709802608.db2.gz SITPOSXRWBVXRS-RDDDGLTNSA-N -2 0 313.256 1.355 20 0 DDADRL Cc1ccc(F)c(CC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910186638 709802700 /nfs/dbraw/zinc/80/27/00/709802700.db2.gz UAHLLSNMKBJILZ-MFKMUULPSA-N -2 0 323.320 1.453 20 0 DDADRL Cc1ccc(F)c(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910188545 709803736 /nfs/dbraw/zinc/80/37/36/709803736.db2.gz LLACWZUUPWHPAX-JOYOIKCWSA-N -2 0 309.293 1.524 20 0 DDADRL O=C([O-])C1=NN(c2ccccc2)[C@H](C(=O)[N-]OCC2CC2)C1 ZINC000911808104 711004998 /nfs/dbraw/zinc/00/49/98/711004998.db2.gz DCHDQNPHDAYUNZ-ZDUSSCGKSA-N -2 0 303.318 1.164 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)ncn1C ZINC001184666914 744080219 /nfs/dbraw/zinc/08/02/19/744080219.db2.gz CYQVJDSYUMPVMZ-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL Cc1oncc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)[O-])c1 ZINC001187369352 744550783 /nfs/dbraw/zinc/55/07/83/744550783.db2.gz SHBZVYDDQBKJLX-UHFFFAOYSA-N -2 0 318.332 1.031 20 0 DDADRL Cc1ccc(O)c(NC(=O)c2ccccc2OP(=O)([O-])[O-])n1 ZINC001189860778 745003783 /nfs/dbraw/zinc/00/37/83/745003783.db2.gz NQSRHAIACQVEJL-UHFFFAOYSA-N -2 0 324.229 1.819 20 0 DDADRL Cc1ncc(NC(=O)c2ccccc2OP(=O)([O-])[O-])nc1C ZINC001189870963 745008727 /nfs/dbraw/zinc/00/87/27/745008727.db2.gz JROAEKDQPKVTPX-UHFFFAOYSA-N -2 0 323.245 1.817 20 0 DDADRL CN(Cc1ccon1)C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189886401 745041850 /nfs/dbraw/zinc/04/18/50/745041850.db2.gz DRCVSRYPTFTOIY-UHFFFAOYSA-N -2 0 312.218 1.418 20 0 DDADRL CCN(CC(C)(C)O)C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189888013 745042367 /nfs/dbraw/zinc/04/23/67/745042367.db2.gz UAQBUEBWWHIBIF-UHFFFAOYSA-N -2 0 317.278 1.391 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1csc(C(F)(F)F)n1 ZINC001191016834 745405547 /nfs/dbraw/zinc/40/55/47/745405547.db2.gz AXIAQVMGCIAUMZ-UHFFFAOYSA-N -2 0 320.185 1.001 20 0 DDADRL CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cc(Cl)ncc1[O-] ZINC001193024603 745963209 /nfs/dbraw/zinc/96/32/09/745963209.db2.gz NDZGXQGSBSZMRW-UHFFFAOYSA-N -2 0 322.770 1.524 20 0 DDADRL CCOC(=O)c1ccc(Cl)nc1NCCOP(=O)([O-])[O-] ZINC001168586579 751179481 /nfs/dbraw/zinc/17/94/81/751179481.db2.gz LRWRMYHTEYFKSF-UHFFFAOYSA-N -2 0 324.657 1.433 20 0 DDADRL CCOC(=O)c1ccc(NCCOP(=O)([O-])[O-])nc1C ZINC001157787428 864140389 /nfs/dbraw/zinc/14/03/89/864140389.db2.gz HFVOXUJIQNQJQT-UHFFFAOYSA-N -2 0 304.239 1.088 20 0 DDADRL Cc1cccc2c(C(=O)NCCOP(=O)([O-])[O-])ccnc12 ZINC001154039541 864351469 /nfs/dbraw/zinc/35/14/69/864351469.db2.gz FRWJBBMHNMGVJS-UHFFFAOYSA-N -2 0 310.246 1.382 20 0 DDADRL CCc1cccc(CC)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001226176897 882253789 /nfs/dbraw/zinc/25/37/89/882253789.db2.gz HOQFVHZKSQXJQR-DGCLKSJQSA-N -2 0 324.329 1.253 20 0 DDADRL O=C([O-])c1c(F)ccc(-c2cccc(S(=O)(=O)[O-])n2)c1F ZINC001205068352 871349443 /nfs/dbraw/zinc/34/94/43/871349443.db2.gz BFSFIBPPCSPKBX-UHFFFAOYSA-N -2 0 315.253 1.972 20 0 DDADRL CCCc1cccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1 ZINC001228448964 883504505 /nfs/dbraw/zinc/50/45/05/883504505.db2.gz OUWMWKQBHRXKGB-LLVKDONJSA-N -2 0 304.235 1.015 20 0 DDADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(C(F)F)cc1)[C@@H](O)C(=O)[O-] ZINC001229709338 884122523 /nfs/dbraw/zinc/12/25/23/884122523.db2.gz NDVAVYKPSZQOJA-PSASIEDQSA-N -2 0 318.228 1.066 20 0 DDADRL Cn1nc(C(F)(F)F)cc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001240290610 890882045 /nfs/dbraw/zinc/88/20/45/890882045.db2.gz NIOHGSQQGXAJAD-UHFFFAOYSA-N -2 0 306.180 1.909 20 0 DDADRL Cn1cnc(S(=O)(=O)[N-]c2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001259000811 898404755 /nfs/dbraw/zinc/40/47/55/898404755.db2.gz PLFKPNHTVRCDGY-UHFFFAOYSA-N -2 0 319.346 1.112 20 0 DDADRL CCS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)C(F)F)c1 ZINC001259949286 898969663 /nfs/dbraw/zinc/96/96/63/898969663.db2.gz GGVVZIHBJKSLBA-UHFFFAOYSA-N -2 0 315.319 1.150 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc3cccnn23)cc1 ZINC001260222222 899096373 /nfs/dbraw/zinc/09/63/73/899096373.db2.gz RKYTZFLXAGLQKC-UHFFFAOYSA-N -2 0 318.314 1.228 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c1 ZINC000092889998 185347912 /nfs/dbraw/zinc/34/79/12/185347912.db2.gz RWMAMJDCRNXVIT-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL O=C([O-])[C@H]1C=C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000092181584 193171191 /nfs/dbraw/zinc/17/11/91/193171191.db2.gz GDDIXXGJULPMHQ-JGVFFNPUSA-N -2 0 303.286 1.272 20 0 DDADRL CN(Cc1ccccc1)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000275190694 212184872 /nfs/dbraw/zinc/18/48/72/212184872.db2.gz XTBJKOWFGHCZRS-CHWSQXEVSA-N -2 0 320.345 1.346 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C ZINC000013027322 181825143 /nfs/dbraw/zinc/82/51/43/181825143.db2.gz NMBKZTWAWIUZLB-NSHDSACASA-N -2 0 315.347 1.081 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)nn1C ZINC000336847411 249253014 /nfs/dbraw/zinc/25/30/14/249253014.db2.gz VUCWYEGWJMIOCS-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL O=C([O-])c1cnc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cn1 ZINC000261715562 304275858 /nfs/dbraw/zinc/27/58/58/304275858.db2.gz VYKIIGJAHCNKJE-UWJYBYFXSA-N -2 0 319.317 1.033 20 0 DDADRL O=C([O-])c1cnc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cn1 ZINC000261715555 304275884 /nfs/dbraw/zinc/27/58/84/304275884.db2.gz VYKIIGJAHCNKJE-AXTRIDKLSA-N -2 0 319.317 1.033 20 0 DDADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000037396381 406988527 /nfs/dbraw/zinc/98/85/27/406988527.db2.gz UQNJTGCXNRVMIQ-UHFFFAOYSA-N -2 0 314.294 1.930 20 0 DDADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000111309573 407407162 /nfs/dbraw/zinc/40/71/62/407407162.db2.gz ZWEGJVKETRQRPE-SNVBAGLBSA-N -2 0 315.347 1.314 20 0 DDADRL Cc1cc(C(=O)N[C@@H](C)CC(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000178684292 407545061 /nfs/dbraw/zinc/54/50/61/407545061.db2.gz SQCNBTKORLXBHN-VIFPVBQESA-N -2 0 304.350 1.497 20 0 DDADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H](C)C(=O)[O-])n1 ZINC000237370808 407817015 /nfs/dbraw/zinc/81/70/15/407817015.db2.gz OQBGDNLPWMJJPV-MRVPVSSYSA-N -2 0 307.281 1.228 20 0 DDADRL COC[C@H](C)S(=O)(=O)Nc1ccc(C(=O)[O-])cc1SC ZINC000274953542 408573153 /nfs/dbraw/zinc/57/31/53/408573153.db2.gz TWOWJYJMVORXIA-QMMMGPOBSA-N -2 0 319.404 1.883 20 0 DDADRL Cc1ncc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccccc2)s1 ZINC000230017880 163344303 /nfs/dbraw/zinc/34/43/03/163344303.db2.gz YNBVVMIOVKBSBU-NSHDSACASA-N -2 0 312.372 1.556 20 0 DDADRL COCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000315188849 164018509 /nfs/dbraw/zinc/01/85/09/164018509.db2.gz KNHWXXGXWPVXSM-UHFFFAOYSA-N -2 0 324.358 1.671 20 0 DDADRL O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000354407805 409833084 /nfs/dbraw/zinc/83/30/84/409833084.db2.gz JTAVJHYMRHDVLD-ZETCQYMHSA-N -2 0 318.116 1.236 20 0 DDADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000643436722 423158574 /nfs/dbraw/zinc/15/85/74/423158574.db2.gz ZCXPYHBBQLKBFL-ZWNOBZJWSA-N -2 0 320.345 1.637 20 0 DDADRL COc1cccc(C(=O)N=c2cc(C(F)(F)F)[n-][nH]2)c1[O-] ZINC000448516569 420857230 /nfs/dbraw/zinc/85/72/30/420857230.db2.gz XHBDPOGWXOEAOW-UHFFFAOYSA-N -2 0 301.224 1.817 20 0 DDADRL CC(C)(CCNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C(=O)[O-] ZINC000570331620 421638698 /nfs/dbraw/zinc/63/86/98/421638698.db2.gz GBUUJGVMLHRVAT-UHFFFAOYSA-N -2 0 319.317 1.261 20 0 DDADRL C[C@H]1CN(C(=O)N=c2[n-]nc(C(F)F)s2)CC[C@H]1C(=O)[O-] ZINC000630560370 422179797 /nfs/dbraw/zinc/17/97/97/422179797.db2.gz COIGFZQANQANFF-NTSWFWBYSA-N -2 0 320.321 1.472 20 0 DDADRL CCC(CC)c1n[n-]c(=NC(=O)NC[C@H](C)C(=O)[O-])s1 ZINC000653534770 423516195 /nfs/dbraw/zinc/51/61/95/423516195.db2.gz XGZAAUBONJRKOM-ZETCQYMHSA-N -2 0 300.384 1.706 20 0 DDADRL O=C([O-])c1ccc(CNC(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC000659405605 423805221 /nfs/dbraw/zinc/80/52/21/423805221.db2.gz OGGLFKPXLKJLGT-UHFFFAOYSA-N -2 0 306.318 1.439 20 0 DDADRL C[C@@H](C(=O)[O-])N(C(=O)c1cccc(OCC(=O)[O-])c1)C1CC1 ZINC000656857915 423807952 /nfs/dbraw/zinc/80/79/52/423807952.db2.gz FXSSBQVSNVYLGC-VIFPVBQESA-N -2 0 307.302 1.228 20 0 DDADRL C[C@](CNC(=O)NCCCCC(=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000652098195 423854753 /nfs/dbraw/zinc/85/47/53/423854753.db2.gz NRSRRTQGZRXTCL-MRXNPFEDSA-N -2 0 322.361 1.583 20 0 DDADRL CC(C)[C@@H](CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C(=O)[O-] ZINC000655897494 424691939 /nfs/dbraw/zinc/69/19/39/424691939.db2.gz ZKVLZAFBZGDXFG-SNVBAGLBSA-N -2 0 300.355 1.240 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000263460241 280292369 /nfs/dbraw/zinc/29/23/69/280292369.db2.gz VNUARKJSMHLDHJ-UFBFGSQYSA-N -2 0 324.299 1.013 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2c(C)ccc(F)c2C(=O)[O-])c[nH]1 ZINC000548199912 303577224 /nfs/dbraw/zinc/57/72/24/303577224.db2.gz PRKUDMAGXLPYHA-UHFFFAOYSA-N -2 0 313.310 1.665 20 0 DDADRL C[C@@H]([C@H]([N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-])C1CC1 ZINC000548992438 303601593 /nfs/dbraw/zinc/60/15/93/303601593.db2.gz OZNPVARPPNXOCS-HQJQHLMTSA-N -2 0 319.329 1.742 20 0 DDADRL CCc1nc(=NCCc2ccc(C(=O)[O-])cc2OC)s[n-]1 ZINC000578774770 308485064 /nfs/dbraw/zinc/48/50/64/308485064.db2.gz PBEBGIYQSRJPNR-UHFFFAOYSA-N -2 0 307.375 1.884 20 0 DDADRL O=C([O-])CC1(NC(=O)c2cnc(C(=O)[O-])cn2)CCCCC1 ZINC000663118983 484682863 /nfs/dbraw/zinc/68/28/63/484682863.db2.gz AZULPXIGVIWPAB-UHFFFAOYSA-N -2 0 307.306 1.082 20 0 DDADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000663134329 484694196 /nfs/dbraw/zinc/69/41/96/484694196.db2.gz ZHVXLAAWMUFNJJ-PXAZEXFGSA-N -2 0 317.341 1.698 20 0 DDADRL Cc1cc(C(=O)N[C@H](C)C2CCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000677343239 486445435 /nfs/dbraw/zinc/44/54/35/486445435.db2.gz OJTTXOHGMDGMQK-MRVPVSSYSA-N -2 0 302.334 1.663 20 0 DDADRL Cn1cnc(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)c1Cl ZINC000819078688 597332766 /nfs/dbraw/zinc/33/27/66/597332766.db2.gz YEVLBXUZKCKRIS-UHFFFAOYSA-N -2 0 321.786 1.139 20 0 DDADRL C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000817762498 597469467 /nfs/dbraw/zinc/46/94/67/597469467.db2.gz NMFGQBVCRXFIBG-LURJTMIESA-N -2 0 307.331 1.169 20 0 DDADRL Cc1ccc(C(C)(C)C)cc1S([O-])=CC(=O)NCC(=O)[O-] ZINC000821070241 597738080 /nfs/dbraw/zinc/73/80/80/597738080.db2.gz SGXMOERWPVBTIH-OAQYLSRUSA-N -2 0 311.403 1.601 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)C(=O)[N-]OC2CCCC2)c1 ZINC000821538580 598176077 /nfs/dbraw/zinc/17/60/77/598176077.db2.gz RERNJYUNRNUEKW-UHFFFAOYSA-N -2 0 306.318 1.243 20 0 DDADRL Cc1cccc(S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-])c1 ZINC000738746109 599911029 /nfs/dbraw/zinc/91/10/29/599911029.db2.gz USOXECNTPZRSRK-UHFFFAOYSA-N -2 0 314.363 1.190 20 0 DDADRL CC1=C(C(=O)[O-])[C@H](c2cccc(O[C@H](C)C(=O)[O-])c2)NC(=O)N1 ZINC000736751470 599986992 /nfs/dbraw/zinc/98/69/92/599986992.db2.gz QPKRNUBVQJAZBS-PELKAZGASA-N -2 0 320.301 1.251 20 0 DDADRL CC(C)c1nc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cs1 ZINC000736523378 600460139 /nfs/dbraw/zinc/46/01/39/600460139.db2.gz UGEUETSOTNZGND-UHFFFAOYSA-N -2 0 320.392 1.191 20 0 DDADRL Cc1noc(C(C)C)c1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000738937914 600464196 /nfs/dbraw/zinc/46/41/96/600464196.db2.gz PVIVAFNOHFQHHY-UHFFFAOYSA-N -2 0 318.351 1.031 20 0 DDADRL CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000829208844 600938018 /nfs/dbraw/zinc/93/80/18/600938018.db2.gz NXTZNIZHYWZGCD-ZETCQYMHSA-N -2 0 305.377 1.687 20 0 DDADRL CC[C@@](C)([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(F)(F)F ZINC000828691767 600988557 /nfs/dbraw/zinc/98/85/57/600988557.db2.gz DLCLSSMLKXWRLH-SECBINFHSA-N -2 0 315.269 1.987 20 0 DDADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(C)on1 ZINC000831946265 601200878 /nfs/dbraw/zinc/20/08/78/601200878.db2.gz QNMVFEDRMDANOY-UHFFFAOYSA-N -2 0 318.332 1.552 20 0 DDADRL CCCC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC000829295662 601355703 /nfs/dbraw/zinc/35/57/03/601355703.db2.gz JFTJLBMDJLTVSS-NSHDSACASA-N -2 0 315.347 1.307 20 0 DDADRL C[C@@H](Sc1ccccc1C(=O)NCc1n[nH]c(=O)[n-]1)C(=O)[O-] ZINC000827916948 601391261 /nfs/dbraw/zinc/39/12/61/601391261.db2.gz XTUOJHGJYHPKCB-SSDOTTSWSA-N -2 0 322.346 1.006 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc(C)ccc2O)c1C(=O)[O-] ZINC000832952818 601617011 /nfs/dbraw/zinc/61/70/11/601617011.db2.gz FHHMVCROFLPLHP-UHFFFAOYSA-N -2 0 311.319 1.231 20 0 DDADRL COc1cccnc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000832633637 601768360 /nfs/dbraw/zinc/76/83/60/601768360.db2.gz UZDFGHXXMBNVOC-UHFFFAOYSA-N -2 0 315.332 1.046 20 0 DDADRL Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)c1 ZINC000832935058 601783851 /nfs/dbraw/zinc/78/38/51/601783851.db2.gz USRQXVHOBSULOZ-UHFFFAOYSA-N -2 0 312.322 1.972 20 0 DDADRL CC[C@H](NC(=O)[O-])C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000739535028 601959089 /nfs/dbraw/zinc/95/90/89/601959089.db2.gz WNUJKNOKTQHCPS-VIFPVBQESA-N -2 0 306.278 1.015 20 0 DDADRL Cc1noc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1C ZINC000833022700 602211481 /nfs/dbraw/zinc/21/14/81/602211481.db2.gz ZCVVLEDNNJGKQA-UHFFFAOYSA-N -2 0 314.294 1.930 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)[O-] ZINC000739303204 602728471 /nfs/dbraw/zinc/72/84/71/602728471.db2.gz ULVSOBJQIGPUDT-VHSXEESVSA-N -2 0 306.384 1.011 20 0 DDADRL COc1ccccc1[C@H](NC(=O)[O-])C(=O)[N-]O[C@H]1CCCCO1 ZINC000739967166 602900230 /nfs/dbraw/zinc/90/02/30/602900230.db2.gz GKQDYZJBBAVTEB-STQMWFEESA-N -2 0 324.333 1.578 20 0 DDADRL CC(C)C[C@H](NC(=O)[O-])C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000826799933 604369178 /nfs/dbraw/zinc/36/91/78/604369178.db2.gz CAGCYTZISNBMCM-LBPRGKRZSA-N -2 0 308.334 1.683 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000833255407 604765885 /nfs/dbraw/zinc/76/58/85/604765885.db2.gz FRVWUQHFYNRRAH-STQMWFEESA-N -2 0 319.313 1.756 20 0 DDADRL CS/C=C\C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000832747986 604938648 /nfs/dbraw/zinc/93/86/48/604938648.db2.gz VVEUJPFCEHKAJZ-SREVYHEPSA-N -2 0 315.372 1.208 20 0 DDADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccnn1C ZINC000833741393 605126476 /nfs/dbraw/zinc/12/64/76/605126476.db2.gz LCSIFDDVILRVKD-UHFFFAOYSA-N -2 0 301.349 1.289 20 0 DDADRL Cn1[n-]nnc1=N[C@@H](CNC(=O)[O-])c1ccc2ccccc2c1 ZINC000833959624 605626553 /nfs/dbraw/zinc/62/65/53/605626553.db2.gz BVTHMSYHDXVJGT-ZDUSSCGKSA-N -2 0 312.333 1.206 20 0 DDADRL O=C([O-])N[C@@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)C1CC1 ZINC000834148495 605992972 /nfs/dbraw/zinc/99/29/72/605992972.db2.gz XGGPKPWKWWRVKG-JTQLQIEISA-N -2 0 321.358 1.893 20 0 DDADRL O=C([O-])C[C@H](NC(=O)C[C@@H]1CCCN1C(=O)[O-])c1ccccc1 ZINC000834059299 606029699 /nfs/dbraw/zinc/02/96/99/606029699.db2.gz AQJUNJMODNLOTF-STQMWFEESA-N -2 0 320.345 1.851 20 0 DDADRL O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C1CCN(C(=O)[O-])CC1 ZINC000834058335 606031122 /nfs/dbraw/zinc/03/11/22/606031122.db2.gz MDUNWIDSUXOVTI-AGIUHOORSA-N -2 0 324.377 1.621 20 0 DDADRL O=C([O-])N[C@H](CC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000834123579 606033537 /nfs/dbraw/zinc/03/35/37/606033537.db2.gz YUBSMVLEJNVFSI-QWHCGFSZSA-N -2 0 320.345 1.709 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)C1 ZINC000834163624 606034831 /nfs/dbraw/zinc/03/48/31/606034831.db2.gz LMOPFMKZWDUZGY-HBNTYKKESA-N -2 0 310.350 1.136 20 0 DDADRL O=C([O-])c1ccc2c(c1)CCN2C(=O)CC1CN(C(=O)[O-])C1 ZINC000834283387 606035060 /nfs/dbraw/zinc/03/50/60/606035060.db2.gz OEFGKOHQFNCMBO-UHFFFAOYSA-N -2 0 304.302 1.274 20 0 DDADRL O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000834060685 606048231 /nfs/dbraw/zinc/04/82/31/606048231.db2.gz IVVJRFKGXUALQM-OLZOCXBDSA-N -2 0 318.329 1.024 20 0 DDADRL O=C([O-])c1ccc(NC(=O)[C@@H]2CSCN2C(=O)[O-])cc1F ZINC000834282821 606065728 /nfs/dbraw/zinc/06/57/28/606065728.db2.gz GTVBBXNVJZKOSF-VIFPVBQESA-N -2 0 314.294 1.515 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)C2(NC(=O)[O-])CCCC2)c1 ZINC000834065387 606066425 /nfs/dbraw/zinc/06/64/25/606066425.db2.gz LRENERMMFUCYHZ-UHFFFAOYSA-N -2 0 306.318 1.833 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)C[C@@H]2CCCN2C(=O)[O-])c1 ZINC000834066389 606066640 /nfs/dbraw/zinc/06/66/40/606066640.db2.gz SYYWRAXGNFJQMI-LBPRGKRZSA-N -2 0 306.318 1.785 20 0 DDADRL CCCCC[C@H](NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)C(=O)[O-] ZINC000833852682 606067374 /nfs/dbraw/zinc/06/73/74/606067374.db2.gz INTFBKDMVPWJDV-VWYCJHECSA-N -2 0 300.355 1.572 20 0 DDADRL O=C([O-])[C@@H](NC(=O)CC1CN(C(=O)[O-])C1)c1ccccc1F ZINC000833988018 606067498 /nfs/dbraw/zinc/06/74/98/606067498.db2.gz NLPTZMIOWAYOOU-LBPRGKRZSA-N -2 0 310.281 1.068 20 0 DDADRL O=C([O-])Nc1ccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)cc1 ZINC000834258401 606068732 /nfs/dbraw/zinc/06/87/32/606068732.db2.gz WOEJTSLWYHVRBK-CYBMUJFWSA-N -2 0 310.331 1.467 20 0 DDADRL O=C([O-])NCCCC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000834230187 606072343 /nfs/dbraw/zinc/07/23/43/606072343.db2.gz RVCZHFDBEYNHDR-QWRGUYRKSA-N -2 0 300.355 1.574 20 0 DDADRL O=C([O-])NC1(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CC1 ZINC000834152080 606113966 /nfs/dbraw/zinc/11/39/66/606113966.db2.gz KMNJTXKJHKTVNL-UHFFFAOYSA-N -2 0 304.302 1.070 20 0 DDADRL O=C(c1cccc(Cl)c1[O-])N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000775783679 698031834 /nfs/dbraw/zinc/03/18/34/698031834.db2.gz LUFOZGXKPIGJJM-MRVPVSSYSA-N -2 0 307.741 1.579 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)c[nH]1 ZINC000313319438 698681891 /nfs/dbraw/zinc/68/18/91/698681891.db2.gz NUSMRFOEISKMIH-UHFFFAOYSA-N -2 0 317.273 1.495 20 0 DDADRL CC(F)(F)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000700080623 699220640 /nfs/dbraw/zinc/22/06/40/699220640.db2.gz HKVHEMXOEMERQM-UHFFFAOYSA-N -2 0 315.244 1.597 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000816732606 702168480 /nfs/dbraw/zinc/16/84/80/702168480.db2.gz OGRXZNJTDNQASW-UHFFFAOYSA-N -2 0 304.237 1.472 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)nn1C ZINC000817355005 702348296 /nfs/dbraw/zinc/34/82/96/702348296.db2.gz OYQGTOJCVIQMNX-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL Cc1nn(C)c(-c2ccccc2[C@@H](O)CC(=O)[O-])c1C(=O)[O-] ZINC000849476541 703652586 /nfs/dbraw/zinc/65/25/86/703652586.db2.gz TXHSGFDHDUYCDT-NSHDSACASA-N -2 0 304.302 1.602 20 0 DDADRL CO[C@H](C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])cc2cccnc21 ZINC000821106745 704372511 /nfs/dbraw/zinc/37/25/11/704372511.db2.gz OIUFQODQTVHPSN-SECBINFHSA-N -2 0 324.358 1.710 20 0 DDADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000863954156 706045619 /nfs/dbraw/zinc/04/56/19/706045619.db2.gz PDCRCTXYLFKXAX-AWEZNQCLSA-N -2 0 317.407 1.514 20 0 DDADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)CCC1CCCC1 ZINC000863963088 706047518 /nfs/dbraw/zinc/04/75/18/706047518.db2.gz JECXMXSAQYXHLP-UHFFFAOYSA-N -2 0 319.423 1.904 20 0 DDADRL Cc1cc(F)c(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])c(F)c1 ZINC000863966017 706047785 /nfs/dbraw/zinc/04/77/85/706047785.db2.gz QJICKANNUJMJTG-UHFFFAOYSA-N -2 0 321.301 1.189 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)C2CCC3(CC3)CC2)C1 ZINC000910185118 709801373 /nfs/dbraw/zinc/80/13/73/709801373.db2.gz ZFLUKCBFPQKFBF-RYUDHWBXSA-N -2 0 309.362 1.733 20 0 DDADRL C[C@@H]1CCCC[C@@H]1CC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910190967 709805196 /nfs/dbraw/zinc/80/51/96/709805196.db2.gz GWJJLOYCEOLDQO-FDYHWXHSSA-N -2 0 311.378 1.979 20 0 DDADRL CO[C@@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)[C@](C)(C(=O)[O-])C1 ZINC000910260847 709845085 /nfs/dbraw/zinc/84/50/85/709845085.db2.gz AODKUOLCBQSQTM-XPTSAGLGSA-N -2 0 313.737 1.750 20 0 DDADRL COCCOCc1cc(=O)n(-c2cccc(C(=O)[O-])c2C)[n-]1 ZINC000905020755 711911342 /nfs/dbraw/zinc/91/13/42/711911342.db2.gz WGBSTSWWBFDNPN-UHFFFAOYSA-N -2 0 306.318 1.449 20 0 DDADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000905999530 712216375 /nfs/dbraw/zinc/21/63/75/712216375.db2.gz KYQNPRKLSUZCOA-ZETCQYMHSA-N -2 0 321.292 1.451 20 0 DDADRL C[C@H](NC(=O)c1ccccc1OP(=O)([O-])[O-])c1ccno1 ZINC001189905199 745022992 /nfs/dbraw/zinc/02/29/92/745022992.db2.gz OSLYUNOFYHZBLQ-QMMMGPOBSA-N -2 0 312.218 1.637 20 0 DDADRL CCOC(=O)NC(=S)Nc1ncc(Br)cc1O ZINC001195454463 746605450 /nfs/dbraw/zinc/60/54/50/746605450.db2.gz ISQXJJXQADKTNP-UHFFFAOYSA-N -2 0 320.168 1.993 20 0 DDADRL COC(=O)CCc1ccccc1NCCOP(=O)([O-])[O-] ZINC001168591623 751221680 /nfs/dbraw/zinc/22/16/80/751221680.db2.gz DYEACDRCLUTPLE-UHFFFAOYSA-N -2 0 303.251 1.313 20 0 DDADRL C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1cccs1 ZINC000828470955 759662208 /nfs/dbraw/zinc/66/22/08/759662208.db2.gz ZQNUHZAMTVKQSR-IVZWLZJFSA-N -2 0 311.359 1.628 20 0 DDADRL COC(=O)c1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccn1 ZINC001176237466 778087775 /nfs/dbraw/zinc/08/77/75/778087775.db2.gz VPZFOMDIONTHLK-UHFFFAOYSA-N -2 0 316.269 1.430 20 0 DDADRL O=P([O-])([O-])OCCNc1nncc2cc(Cl)ccc21 ZINC001157791724 864145287 /nfs/dbraw/zinc/14/52/87/864145287.db2.gz RWDOKOJECTWBRD-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL CCOC(=O)c1nonc1[N-]c1c(F)cc(C(=O)[O-])cc1F ZINC001215608452 876760768 /nfs/dbraw/zinc/76/07/68/876760768.db2.gz DQQMPVLKDQYLHO-UHFFFAOYSA-N -2 0 313.216 1.966 20 0 DDADRL Cc1cc(C(C)C)ccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001230210299 884377907 /nfs/dbraw/zinc/37/79/07/884377907.db2.gz GICRDAUEAXRDDC-BXUZGUMPSA-N -2 0 324.329 1.560 20 0 DDADRL O=P([O-])([O-])c1ccc(-c2c(F)ccc(CO)c2F)cc1 ZINC001245852505 892249908 /nfs/dbraw/zinc/24/99/08/892249908.db2.gz NDNRSUCAEKOFCE-UHFFFAOYSA-N -2 0 300.197 1.927 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]CC(F)F)c(F)cc1Cl ZINC001259212545 898537834 /nfs/dbraw/zinc/53/78/34/898537834.db2.gz RCXQTBDCQZIHSN-UHFFFAOYSA-N -2 0 317.672 1.721 20 0 DDADRL CCn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC001260210754 899091446 /nfs/dbraw/zinc/09/14/46/899091446.db2.gz YKXIKJYSKBTGGQ-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL CN(C)c1cncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001260221952 899095292 /nfs/dbraw/zinc/09/52/92/899095292.db2.gz CHUNYXMLVTZCRL-UHFFFAOYSA-N -2 0 321.358 1.647 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)sn1 ZINC001260392709 899134765 /nfs/dbraw/zinc/13/47/65/899134765.db2.gz OUOKCZZRBCLCOB-UHFFFAOYSA-N -2 0 314.344 1.656 20 0 DDADRL CC(C)(C)OC(=O)[C@H](C(=O)N=c1ccc(=O)[nH][nH]1)C(C)(C)C ZINC000598833585 357738791 /nfs/dbraw/zinc/73/87/91/357738791.db2.gz ZVNRHAKTCJKRKB-NSHDSACASA-N -2 0 309.366 1.547 20 0 DDADRL COc1cc(CN=c2nc([C@H](C)OC)[n-]s2)ccc1C(=O)[O-] ZINC000565718217 304085929 /nfs/dbraw/zinc/08/59/29/304085929.db2.gz ISHPKFUDHQBIEY-QMMMGPOBSA-N -2 0 323.374 1.986 20 0 DDADRL CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cn1 ZINC000350729288 284250052 /nfs/dbraw/zinc/25/00/52/284250052.db2.gz JTAKQUWBGLSUSF-UHFFFAOYSA-N -2 0 322.342 1.979 20 0 DDADRL COc1ccc(O)c(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1 ZINC000350731245 284251308 /nfs/dbraw/zinc/25/13/08/284251308.db2.gz ZAHRADCTNNGVCB-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000352443844 285054474 /nfs/dbraw/zinc/05/44/74/285054474.db2.gz RXDBAWJLQBQBBY-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000290557068 409442865 /nfs/dbraw/zinc/44/28/65/409442865.db2.gz RIAKUFPLGHXIAK-UHFFFAOYSA-N -2 0 323.374 1.410 20 0 DDADRL Cc1cnc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)c([O-])c1 ZINC000357013563 409792119 /nfs/dbraw/zinc/79/21/19/409792119.db2.gz MQCOXVMGVVXYCG-UHFFFAOYSA-N -2 0 312.289 1.029 20 0 DDADRL O=C(Nc1cccc(Cl)c1[O-])c1c[n-]n2c1nccc2=O ZINC000339353403 410121663 /nfs/dbraw/zinc/12/16/63/410121663.db2.gz WSHWOCKOCICAMT-UHFFFAOYSA-N -2 0 304.693 1.634 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](NC(=O)N=c2[n-]nc(-c3ccco3)s2)C1 ZINC000647693941 423001929 /nfs/dbraw/zinc/00/19/29/423001929.db2.gz WWZUWFLHRBMXSG-SFYZADRCSA-N -2 0 322.346 1.595 20 0 DDADRL Cc1ccc(-n2[n-]c(C(=O)N(C)CCCC(=O)[O-])cc2=O)cc1 ZINC000427750582 419727250 /nfs/dbraw/zinc/72/72/50/419727250.db2.gz ZKDJFLZLFFUCGM-UHFFFAOYSA-N -2 0 317.345 1.411 20 0 DDADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000643436720 423158790 /nfs/dbraw/zinc/15/87/90/423158790.db2.gz ZCXPYHBBQLKBFL-MFKMUULPSA-N -2 0 320.345 1.637 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cn1 ZINC000436671479 420352997 /nfs/dbraw/zinc/35/29/97/420352997.db2.gz JTYXFESWOLUCSC-UHFFFAOYSA-N -2 0 324.314 1.295 20 0 DDADRL Cc1cc(CS(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])on1 ZINC000547541822 421342739 /nfs/dbraw/zinc/34/27/39/421342739.db2.gz UBPGRFNRSWIOLR-UHFFFAOYSA-N -2 0 314.294 1.762 20 0 DDADRL Cc1onc(N)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000559696068 421837522 /nfs/dbraw/zinc/83/75/22/421837522.db2.gz FDYCYLMQDRWXHS-UHFFFAOYSA-N -2 0 311.319 1.203 20 0 DDADRL CC(C)Oc1ccc(=NC(=O)NC2(CC(=O)[O-])CCC2)[n-]n1 ZINC000649542941 424014311 /nfs/dbraw/zinc/01/43/11/424014311.db2.gz VGTOCHDRZYNYOT-UHFFFAOYSA-N -2 0 308.338 1.205 20 0 DDADRL C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655574170 424576931 /nfs/dbraw/zinc/57/69/31/424576931.db2.gz KPRUAOCJIHIRGA-DVVUODLYSA-N -2 0 320.345 1.645 20 0 DDADRL Cc1nc(=NC(=O)c2nc[n-]c2C(=O)c2ccccc2)s[n-]1 ZINC000354236567 298376729 /nfs/dbraw/zinc/37/67/29/298376729.db2.gz NJAGRMGTIKVLPN-UHFFFAOYSA-N -2 0 313.342 1.475 20 0 DDADRL Cc1cc(C(=O)N2CCCCCO2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000351680979 301087871 /nfs/dbraw/zinc/08/78/71/301087871.db2.gz VAQDIIWVGIMGEK-UHFFFAOYSA-N -2 0 304.306 1.302 20 0 DDADRL Cc1c(Cl)cc(S(=O)(=O)N(C)CC(=O)[O-])cc1C(=O)[O-] ZINC000517943295 302820693 /nfs/dbraw/zinc/82/06/93/302820693.db2.gz HDDAGVPTNPWJCB-UHFFFAOYSA-N -2 0 321.738 1.052 20 0 DDADRL Cc1n[n-]c(=NC(=O)N(CCc2ccccc2)CC(=O)[O-])s1 ZINC000583001836 337227365 /nfs/dbraw/zinc/22/73/65/337227365.db2.gz RNDWHEQMHOQTMH-UHFFFAOYSA-N -2 0 320.374 1.430 20 0 DDADRL O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@H](C(=O)[O-])C1CC1 ZINC000663025869 484609131 /nfs/dbraw/zinc/60/91/31/484609131.db2.gz LUULNOCPRLSYBD-UKRRQHHQSA-N -2 0 319.357 1.690 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n(C)n1 ZINC000020554498 600052934 /nfs/dbraw/zinc/05/29/34/600052934.db2.gz AIUPROBUEBSXNR-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc3[nH]nc(C(=O)[O-])c3c2)c[nH]1 ZINC000738889204 600096529 /nfs/dbraw/zinc/09/65/29/600096529.db2.gz QURVZFUWGUBPNZ-UHFFFAOYSA-N -2 0 321.318 1.093 20 0 DDADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000740248651 600515154 /nfs/dbraw/zinc/51/51/54/600515154.db2.gz GZWDJTDGZIWXOW-UHFFFAOYSA-N -2 0 313.722 1.629 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])s1 ZINC000736964482 600520074 /nfs/dbraw/zinc/52/00/74/600520074.db2.gz GGRGBSRGFKWOCE-QMMMGPOBSA-N -2 0 319.404 1.942 20 0 DDADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000079705205 600576333 /nfs/dbraw/zinc/57/63/33/600576333.db2.gz ZSLDXOILWBLOER-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL Cn1nccc1S(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1 ZINC000124167878 600636553 /nfs/dbraw/zinc/63/65/53/600636553.db2.gz RTVHHHMJRDHQQV-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1Cl ZINC000832954504 601192989 /nfs/dbraw/zinc/19/29/89/601192989.db2.gz HTGDMEZFVFKKEO-RKDXNWHRSA-N -2 0 317.750 1.174 20 0 DDADRL O=C([O-])[C@@]1(F)CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000833357470 601712767 /nfs/dbraw/zinc/71/27/67/601712767.db2.gz XYAZDNQBZFGSHZ-CYBMUJFWSA-N -2 0 310.306 1.755 20 0 DDADRL Cc1ccsc1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)c1 ZINC000832984403 601784896 /nfs/dbraw/zinc/78/48/96/601784896.db2.gz PFPHEELCRUVVPY-UHFFFAOYSA-N -2 0 300.361 1.894 20 0 DDADRL O=C([O-])N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000740458289 601947806 /nfs/dbraw/zinc/94/78/06/601947806.db2.gz UUGRHIXTHBOIME-FVCCEPFGSA-N -2 0 312.366 1.872 20 0 DDADRL CN(C(=O)[O-])[C@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000739585722 601980665 /nfs/dbraw/zinc/98/06/65/601980665.db2.gz DEVLRKPDWISWOJ-VIFPVBQESA-N -2 0 322.390 1.971 20 0 DDADRL CCC[C@@](C)(NC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000829194118 602299105 /nfs/dbraw/zinc/29/91/05/602299105.db2.gz VPKDNMFCZJBTTL-MRXNPFEDSA-N -2 0 317.345 1.951 20 0 DDADRL O=C([O-])NCCCNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000740655795 602574767 /nfs/dbraw/zinc/57/47/67/602574767.db2.gz SESHPJLHLJEREN-UHFFFAOYSA-N -2 0 322.296 1.105 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)C1CCN(C(=O)[O-])CC1 ZINC000737801346 602728526 /nfs/dbraw/zinc/72/85/26/602728526.db2.gz VDPKTIGPKLACEQ-JTQLQIEISA-N -2 0 320.411 1.259 20 0 DDADRL CN(C(=O)[O-])[C@H]1CCN(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC000827865797 603606092 /nfs/dbraw/zinc/60/60/92/603606092.db2.gz WUOCGIDNNLBGJJ-QMMMGPOBSA-N -2 0 300.261 1.495 20 0 DDADRL C[C@H](NC(=O)[O-])c1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000825434424 604859212 /nfs/dbraw/zinc/85/92/12/604859212.db2.gz SDXQIRXMMHEXQZ-ZETCQYMHSA-N -2 0 320.309 1.161 20 0 DDADRL O=C([O-])CC[C@H]1CCCN(C(=O)C2CCN(C(=O)[O-])CC2)C1 ZINC000834060557 605310391 /nfs/dbraw/zinc/31/03/91/605310391.db2.gz RNQTYBBUKXACKO-LLVKDONJSA-N -2 0 312.366 1.480 20 0 DDADRL O=C([O-])NC[C@H](NC(=O)c1cc(F)cc(Cl)c1[O-])C1CC1 ZINC000832427242 605648001 /nfs/dbraw/zinc/64/80/01/605648001.db2.gz HIONSSKEQNVSDQ-JTQLQIEISA-N -2 0 316.716 1.961 20 0 DDADRL CC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000833637589 605679993 /nfs/dbraw/zinc/67/99/93/605679993.db2.gz FXFMLHYQWACRTD-VHSXEESVSA-N -2 0 313.375 1.872 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000834064528 605688801 /nfs/dbraw/zinc/68/88/01/605688801.db2.gz AVZKCPUZCVRRIA-KOLCDFICSA-N -2 0 322.317 1.525 20 0 DDADRL O=C([O-])C[C@@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)c1ccccc1 ZINC000834061063 606029694 /nfs/dbraw/zinc/02/96/94/606029694.db2.gz NTCNSFWNGUKWIS-VXGBXAGGSA-N -2 0 306.318 1.319 20 0 DDADRL O=C([O-])CCCNC(=O)[C@@H]1c2ccccc2CCN1C(=O)[O-] ZINC000834060815 606033132 /nfs/dbraw/zinc/03/31/32/606033132.db2.gz XSJLCGSQHXFEIF-ZDUSSCGKSA-N -2 0 306.318 1.245 20 0 DDADRL O=C([O-])Nc1ccc(CC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000834256400 606033473 /nfs/dbraw/zinc/03/34/73/606033473.db2.gz QASLQOCMFQOIFJ-NSHDSACASA-N -2 0 306.318 1.642 20 0 DDADRL O=C([O-])N[C@H]1CC[C@H](C(=O)N2CCc3cc(C(=O)[O-])ccc32)C1 ZINC000834166561 606034936 /nfs/dbraw/zinc/03/49/36/606034936.db2.gz WZPGHQHOKWZINC-JQWIXIFHSA-N -2 0 318.329 1.710 20 0 DDADRL O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000834283304 606035002 /nfs/dbraw/zinc/03/50/02/606035002.db2.gz MXLMZJHRMDVREP-NSHDSACASA-N -2 0 304.302 1.274 20 0 DDADRL O=C([O-])CC1CCN(C(=O)CC2CCN(C(=O)[O-])CC2)CC1 ZINC000834059876 606036448 /nfs/dbraw/zinc/03/64/48/606036448.db2.gz CSVQZMJELQXMRJ-UHFFFAOYSA-N -2 0 312.366 1.480 20 0 DDADRL O=C([O-])[C@@H](NC(=O)C1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000834013888 606048120 /nfs/dbraw/zinc/04/81/20/606048120.db2.gz CXIBIOYNOPIQBH-LBPRGKRZSA-N -2 0 306.318 1.319 20 0 DDADRL O=C([O-])CN(C(=O)C[C@@H]1CCCN1C(=O)[O-])C1CCCCC1 ZINC000834064632 606051357 /nfs/dbraw/zinc/05/13/57/606051357.db2.gz CZVVAOKXVXCBLH-LBPRGKRZSA-N -2 0 312.366 1.765 20 0 DDADRL O=C([O-])COc1cccc(NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)c1 ZINC000834066621 606056846 /nfs/dbraw/zinc/05/68/46/606056846.db2.gz UGFWHOAIGGTTED-ONGXEEELSA-N -2 0 322.317 1.525 20 0 DDADRL O=C([O-])CCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000834058408 606063318 /nfs/dbraw/zinc/06/33/18/606063318.db2.gz CMEQWJUGPAUUMZ-LBPRGKRZSA-N -2 0 306.318 1.785 20 0 DDADRL O=C([O-])NC[C@H](C(=O)NCC1(C(=O)[O-])CCC1)c1ccccc1 ZINC000834210276 606063926 /nfs/dbraw/zinc/06/39/26/606063926.db2.gz OERRCZAZLMRKID-LBPRGKRZSA-N -2 0 320.345 1.409 20 0 DDADRL O=C([O-])N[C@H](C(=O)N1CC[C@](F)(C(=O)[O-])C1)c1ccccc1 ZINC000834251139 606066622 /nfs/dbraw/zinc/06/66/22/606066622.db2.gz CPFKSFWCANAVDA-IINYFYTJSA-N -2 0 310.281 1.021 20 0 DDADRL Cc1ccc(C(F)(F)C(=O)[N-]OC[C@@H](C)NC(=O)[O-])cc1 ZINC000833904044 606069123 /nfs/dbraw/zinc/06/91/23/606069123.db2.gz HCMMNVXSAMBOCM-SECBINFHSA-N -2 0 302.277 1.791 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)c[nH]1 ZINC000808124152 701499431 /nfs/dbraw/zinc/49/94/31/701499431.db2.gz LYUBHOYTTHQMAM-UHFFFAOYSA-N -2 0 322.298 1.184 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc1 ZINC000863951500 706044824 /nfs/dbraw/zinc/04/48/24/706044824.db2.gz JTJDGUCPJAMFHC-CQSZACIVSA-N -2 0 311.359 1.301 20 0 DDADRL Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000863952363 706044987 /nfs/dbraw/zinc/04/49/87/706044987.db2.gz UFACQKSPBXFMBJ-CQSZACIVSA-N -2 0 311.359 1.301 20 0 DDADRL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000863953896 706045349 /nfs/dbraw/zinc/04/53/49/706045349.db2.gz CQKMMKHZXQOMAF-UHFFFAOYSA-N -2 0 323.729 1.395 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000863954597 706045733 /nfs/dbraw/zinc/04/57/33/706045733.db2.gz GNWOIYFSGOHDRK-UWVGGRQHSA-N -2 0 307.412 1.616 20 0 DDADRL CC(C)(C)CS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000863954837 706045870 /nfs/dbraw/zinc/04/58/70/706045870.db2.gz OGOLXIIKWCCQCK-JTQLQIEISA-N -2 0 305.396 1.370 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cn1 ZINC000863955090 706045955 /nfs/dbraw/zinc/04/59/55/706045955.db2.gz ZBYVCRRVQQPZCM-VIFPVBQESA-N -2 0 314.363 1.276 20 0 DDADRL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000863956799 706046126 /nfs/dbraw/zinc/04/61/26/706046126.db2.gz OPNNCHNCADZNOD-UHFFFAOYSA-N -2 0 319.766 1.397 20 0 DDADRL O=C([O-])CCC(=O)[N-]S(=O)(=O)CCSc1ccccc1 ZINC000863957369 706046276 /nfs/dbraw/zinc/04/62/76/706046276.db2.gz YIIAHIHOIGWLID-UHFFFAOYSA-N -2 0 317.388 1.090 20 0 DDADRL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])c1 ZINC000863957401 706046461 /nfs/dbraw/zinc/04/64/61/706046461.db2.gz YYIHGQURCLOFGT-UHFFFAOYSA-N -2 0 303.311 1.050 20 0 DDADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000863963701 706047472 /nfs/dbraw/zinc/04/74/72/706047472.db2.gz FDRGKTMGGGIBQN-OUAUKWLOSA-N -2 0 317.407 1.512 20 0 DDADRL CCS(=O)(CC)=NS(=O)(=O)[N-]c1cc(F)ccc1O ZINC000872358860 707389013 /nfs/dbraw/zinc/38/90/13/707389013.db2.gz IXICFFWFPPDLNI-UHFFFAOYSA-N -2 0 310.372 1.696 20 0 DDADRL CCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000899567668 709114961 /nfs/dbraw/zinc/11/49/61/709114961.db2.gz YHFUHRXSCOCWLQ-SSDOTTSWSA-N -2 0 307.755 1.529 20 0 DDADRL COCC[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)C(=O)[O-] ZINC000909622996 709544265 /nfs/dbraw/zinc/54/42/65/709544265.db2.gz AHWCDPXHIPXNAT-SECBINFHSA-N -2 0 305.689 1.404 20 0 DDADRL CSCCCCC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910185826 709801832 /nfs/dbraw/zinc/80/18/32/709801832.db2.gz YWOGYNCOFCKIIF-UWVGGRQHSA-N -2 0 303.380 1.296 20 0 DDADRL Cc1cccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1C ZINC000910186248 709802643 /nfs/dbraw/zinc/80/26/43/709802643.db2.gz PBYCKVKHGGXXLL-DGCLKSJQSA-N -2 0 305.330 1.693 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)C=C(C2CC2)C2CC2)C1 ZINC000910189366 709804203 /nfs/dbraw/zinc/80/42/03/709804203.db2.gz SGZFLHLUYBDTMQ-AAEUAGOBSA-N -2 0 307.346 1.509 20 0 DDADRL Cc1ccc(CC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1C ZINC000910192181 709805923 /nfs/dbraw/zinc/80/59/23/709805923.db2.gz OVXIXQWIIXMPOH-KGLIPLIRSA-N -2 0 319.357 1.622 20 0 DDADRL CC(=O)c1cc(F)c([O-])c([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000901953032 710183420 /nfs/dbraw/zinc/18/34/20/710183420.db2.gz QYTWGMKUCBIWRP-SNVBAGLBSA-N -2 0 317.338 1.655 20 0 DDADRL O=C([O-])CCC(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC000902822423 710916731 /nfs/dbraw/zinc/91/67/31/710916731.db2.gz WZYHHXATXRTKQW-NSHDSACASA-N -2 0 305.330 1.922 20 0 DDADRL COCCOCc1cc(=O)n(-c2ccc(C(=O)[O-])cc2F)[n-]1 ZINC000905019770 711910885 /nfs/dbraw/zinc/91/08/85/711910885.db2.gz LGYFKLGUSQJYQD-UHFFFAOYSA-N -2 0 310.281 1.280 20 0 DDADRL CC(C)N([C@H](C)C(=O)[O-])S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000906789417 712412136 /nfs/dbraw/zinc/41/21/36/712412136.db2.gz WCLVVKTYVQWQSU-MRVPVSSYSA-N -2 0 321.782 1.918 20 0 DDADRL CC(C)(C)C1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC000907014647 712464680 /nfs/dbraw/zinc/46/46/80/712464680.db2.gz RVMNPMYGRHZBNX-UHFFFAOYSA-N -2 0 313.375 1.757 20 0 DDADRL CCCC[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC000916107749 713442435 /nfs/dbraw/zinc/44/24/35/713442435.db2.gz DRZHQEYXSHRCKX-NSHDSACASA-N -2 0 315.347 1.307 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCCC(=O)[O-] ZINC000917717542 713511286 /nfs/dbraw/zinc/51/12/86/713511286.db2.gz JKUBJMSXXOHDIP-UHFFFAOYSA-N -2 0 315.347 1.090 20 0 DDADRL CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C)C(=O)[O-] ZINC000917720323 713511382 /nfs/dbraw/zinc/51/13/82/713511382.db2.gz LXVJYXSDGFYZOA-SNVBAGLBSA-N -2 0 315.347 1.143 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1c[nH]cc1-c1ccccc1 ZINC001191786490 745610971 /nfs/dbraw/zinc/61/09/71/745610971.db2.gz FJCNBTDUKIALTB-UHFFFAOYSA-N -2 0 310.246 1.521 20 0 DDADRL O=P([O-])([O-])OCCNc1ncnc2c3ccccc3oc21 ZINC001168586257 751176600 /nfs/dbraw/zinc/17/66/00/751176600.db2.gz GLFAAMQUYJLNIE-UHFFFAOYSA-N -2 0 309.218 1.897 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(Cl)cc2ncccc21 ZINC001168586487 751178314 /nfs/dbraw/zinc/17/83/14/751178314.db2.gz KIEHIHSDAVSULV-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL CSc1nc2[nH]ccc2c(NCCOP(=O)([O-])[O-])n1 ZINC001168586779 751179605 /nfs/dbraw/zinc/17/96/05/751179605.db2.gz KYLVTBOIFWBPTM-UHFFFAOYSA-N -2 0 304.268 1.201 20 0 DDADRL Cc1nc(NCCOP(=O)([O-])[O-])cc(-c2ccccn2)n1 ZINC001168589394 751201607 /nfs/dbraw/zinc/20/16/07/751201607.db2.gz JDQDETARGKMQHB-UHFFFAOYSA-N -2 0 310.250 1.368 20 0 DDADRL O=P([O-])([O-])OCCNc1ccnc(OC2CCOCC2)c1 ZINC001168596584 751273899 /nfs/dbraw/zinc/27/38/99/751273899.db2.gz VQJMFIIBRSIWCX-UHFFFAOYSA-N -2 0 318.266 1.161 20 0 DDADRL O=C(Nc1cccnc1F)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148915047 773633425 /nfs/dbraw/zinc/63/34/25/773633425.db2.gz IZZDFBWJKRFFPS-UHFFFAOYSA-N -2 0 312.278 1.425 20 0 DDADRL O=C(Oc1ccc2sccc2c1)[C@H](O)COP(=O)([O-])[O-] ZINC001229122906 844552051 /nfs/dbraw/zinc/55/20/51/844552051.db2.gz VBURCHBEUYXMJH-SECBINFHSA-N -2 0 318.243 1.277 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cccc2ccsc21 ZINC001149523628 861684101 /nfs/dbraw/zinc/68/41/01/861684101.db2.gz VEEDGJIIBNYDTO-UHFFFAOYSA-N -2 0 301.260 1.740 20 0 DDADRL O=C([O-])C[C@H](C(=O)Oc1cccc2ccccc21)[C@@H](O)C(=O)[O-] ZINC001225269543 881753524 /nfs/dbraw/zinc/75/35/24/881753524.db2.gz RNWOACGWAKWRHJ-SMDDNHRTSA-N -2 0 318.281 1.282 20 0 DDADRL COc1ccc(Nc2ccc(C(=O)[O-])nc2)c(S(=O)(=O)[O-])c1 ZINC001210175946 875255902 /nfs/dbraw/zinc/25/59/02/875255902.db2.gz QVZJGMZFFJNPGQ-UHFFFAOYSA-N -2 0 324.314 1.779 20 0 DDADRL CC(C)c1ccccc1COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001223911673 881143639 /nfs/dbraw/zinc/14/36/39/881143639.db2.gz WWVNWMQRDUWFGE-TZMCWYRMSA-N -2 0 324.329 1.390 20 0 DDADRL CN1Cc2cc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cnc2C1=O ZINC001242161072 891356032 /nfs/dbraw/zinc/35/60/32/891356032.db2.gz PXCSABWSFPYSIB-UHFFFAOYSA-N -2 0 312.281 1.731 20 0 DDADRL Cc1cc(C(=O)[O-])ccc1-c1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001243204227 891620324 /nfs/dbraw/zinc/62/03/24/891620324.db2.gz IPXZYEMDDWUKBD-UHFFFAOYSA-N -2 0 317.322 1.792 20 0 DDADRL Cc1cnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(C)n1 ZINC001260183981 899076786 /nfs/dbraw/zinc/07/67/86/899076786.db2.gz LSRMNVGUPGSIJL-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL COc1cncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1C ZINC001260183296 899077365 /nfs/dbraw/zinc/07/73/65/899077365.db2.gz IYSWDDBHMHDTJB-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL Cc1noc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1C ZINC000088245211 185243520 /nfs/dbraw/zinc/24/35/20/185243520.db2.gz DDTOOKAVNMMPCD-UHFFFAOYSA-N -2 0 310.331 1.719 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cn2)s1 ZINC000088248289 185243563 /nfs/dbraw/zinc/24/35/63/185243563.db2.gz LKGLAMASHJQVLY-UHFFFAOYSA-N -2 0 302.308 1.781 20 0 DDADRL Cc1cnc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)c([O-])c1 ZINC000355794593 291009956 /nfs/dbraw/zinc/00/99/56/291009956.db2.gz QDBUSFDDHXPINK-UHFFFAOYSA-N -2 0 311.301 1.839 20 0 DDADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000349086445 283837586 /nfs/dbraw/zinc/83/75/86/283837586.db2.gz RQWMOLVQIJDMCD-UHFFFAOYSA-N -2 0 309.347 1.156 20 0 DDADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnoc1C1CC1 ZINC000414382009 224330251 /nfs/dbraw/zinc/33/02/51/224330251.db2.gz JOIDCEOEKCRTOA-UHFFFAOYSA-N -2 0 312.303 1.952 20 0 DDADRL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000070415377 406814636 /nfs/dbraw/zinc/81/46/36/406814636.db2.gz ZPTAWAVSRICBKP-UHFFFAOYSA-N -2 0 301.711 1.562 20 0 DDADRL Cc1nc(=NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])o[n-]1 ZINC000339819791 410482542 /nfs/dbraw/zinc/48/25/42/410482542.db2.gz LSYSANJHXGIETC-UHFFFAOYSA-N -2 0 303.253 1.083 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cn1 ZINC000343839933 410740129 /nfs/dbraw/zinc/74/01/29/410740129.db2.gz SMAIMADUGQZEGI-UHFFFAOYSA-N -2 0 311.319 1.108 20 0 DDADRL CC(C)(C)n1cnc(=NC(=O)N2CCC(C)(C(=O)[O-])CC2)[n-]1 ZINC000647698897 423003418 /nfs/dbraw/zinc/00/34/18/423003418.db2.gz FPBIFIXBRXEBGX-UHFFFAOYSA-N -2 0 309.370 1.174 20 0 DDADRL N=c1[n-]nc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)o1 ZINC000436597594 420344263 /nfs/dbraw/zinc/34/42/63/420344263.db2.gz VZIZSRWJQUYWKK-UHFFFAOYSA-N -2 0 303.105 1.425 20 0 DDADRL O=C(NCCCc1n[nH]c(=O)[n-]1)c1cc(F)c([O-])c(Cl)c1 ZINC000436924548 420385669 /nfs/dbraw/zinc/38/56/69/420385669.db2.gz GOMUTHADCHIKCA-UHFFFAOYSA-N -2 0 314.704 1.371 20 0 DDADRL C[C@@H]1CCN(C(=O)N=c2ncn(C(C)(C)C)[n-]2)C[C@H]1C(=O)[O-] ZINC000522002321 421811414 /nfs/dbraw/zinc/81/14/14/421811414.db2.gz SKGGHMFABWFRRA-NXEZZACHSA-N -2 0 309.370 1.030 20 0 DDADRL CCC(CC)(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C(=O)[O-] ZINC000646163137 423374853 /nfs/dbraw/zinc/37/48/53/423374853.db2.gz UYVSRZDTXDPSBE-UHFFFAOYSA-N -2 0 314.382 1.774 20 0 DDADRL CC(C)[C@@H](CNC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC000655896737 424691848 /nfs/dbraw/zinc/69/18/48/424691848.db2.gz ODOFTBJZGFTBDQ-OUAUKWLOSA-N -2 0 300.355 1.095 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N(CC(=O)[O-])C(C)C ZINC000263461621 280291359 /nfs/dbraw/zinc/29/13/59/280291359.db2.gz VTPZUTSUJWIYMT-VIFPVBQESA-N -2 0 312.288 1.011 20 0 DDADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c1 ZINC000357884860 299013105 /nfs/dbraw/zinc/01/31/05/299013105.db2.gz QGOYIPDCPRDOTE-UHFFFAOYSA-N -2 0 321.358 1.400 20 0 DDADRL Cc1ccc(F)c([N-]S(=O)(=O)c2ccn(C)n2)c1C(=O)[O-] ZINC000536392056 303359889 /nfs/dbraw/zinc/35/98/89/303359889.db2.gz UCUURIHGGKNGBV-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL CC(C)c1cccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000547558885 303540968 /nfs/dbraw/zinc/54/09/68/303540968.db2.gz SRKQQHVWVNZEHX-LLVKDONJSA-N -2 0 315.347 1.016 20 0 DDADRL CC(C)C[C@H](C[N-]S(=O)(=O)[C@H](C)C(F)(F)F)CC(=O)[O-] ZINC000547894653 303558639 /nfs/dbraw/zinc/55/86/39/303558639.db2.gz DMVPDUIMCOQCBB-BDAKNGLRSA-N -2 0 319.345 1.994 20 0 DDADRL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C1CCC1 ZINC000399242436 337314523 /nfs/dbraw/zinc/31/45/23/337314523.db2.gz FGXYNIGCKPOOIW-JTQLQIEISA-N -2 0 323.292 1.636 20 0 DDADRL C[C@@H](NC(=O)N1CC[C@H](C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655900408 483992736 /nfs/dbraw/zinc/99/27/36/483992736.db2.gz SLGGJCOJFLVWFB-VPOLOUISSA-N -2 0 312.366 1.238 20 0 DDADRL COc1cncc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)c1 ZINC000507569937 484259180 /nfs/dbraw/zinc/25/91/80/484259180.db2.gz SSXLDKNZEWMGCX-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL C[C@@H](NC(=O)[C@]1(C(=O)[O-])CC1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000663122027 484686278 /nfs/dbraw/zinc/68/62/78/484686278.db2.gz XHYAAQDGMMSXPP-LLZONULXSA-N -2 0 311.378 1.739 20 0 DDADRL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000680525407 486213327 /nfs/dbraw/zinc/21/33/27/486213327.db2.gz QPPFMMASPQLRIO-UHFFFAOYSA-N -2 0 315.738 1.871 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c(C)c1 ZINC000738655304 599739256 /nfs/dbraw/zinc/73/92/56/599739256.db2.gz PVKNNNQLXJJIHQ-UHFFFAOYSA-N -2 0 309.347 1.385 20 0 DDADRL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cccc(C(=O)[O-])c1 ZINC000821235264 598148545 /nfs/dbraw/zinc/14/85/45/598148545.db2.gz CBBINNJPVXVBFT-UHFFFAOYSA-N -2 0 324.314 1.108 20 0 DDADRL CCOc1ncccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000037040788 599736867 /nfs/dbraw/zinc/73/68/67/599736867.db2.gz LCBBVHQDTOOCPE-UHFFFAOYSA-N -2 0 312.303 1.572 20 0 DDADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2ccccc2Cl)n1 ZINC000739919640 599739467 /nfs/dbraw/zinc/73/94/67/599739467.db2.gz ILMYKESPXPQZMS-UHFFFAOYSA-N -2 0 315.738 1.422 20 0 DDADRL Cc1nn2c([n-]nc2S[C@H](C)c2ccc(C(=O)[O-])o2)nc1=O ZINC000738927418 600003655 /nfs/dbraw/zinc/00/36/55/600003655.db2.gz NNFWBBMJRHKJOS-ZCFIWIBFSA-N -2 0 321.318 1.266 20 0 DDADRL Cn1nccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000739063179 600055369 /nfs/dbraw/zinc/05/53/69/600055369.db2.gz WLRYMBJGPNRVEB-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL O=C([O-])Nc1cccc(C(=O)[N-]S(=O)(=O)c2cccnc2)c1 ZINC000740033219 600056598 /nfs/dbraw/zinc/05/65/98/600056598.db2.gz HPDUHBXKKPTPPR-UHFFFAOYSA-N -2 0 321.314 1.290 20 0 DDADRL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000036335468 600103168 /nfs/dbraw/zinc/10/31/68/600103168.db2.gz OQPODSWMSQYCBD-UHFFFAOYSA-N -2 0 310.331 1.845 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc(F)ccc2C)c1C(=O)[O-] ZINC000738606862 600229352 /nfs/dbraw/zinc/22/93/52/600229352.db2.gz QDAHJDREIRKPON-UHFFFAOYSA-N -2 0 313.310 1.665 20 0 DDADRL CC(C)(C)/C=C\C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736251028 600272785 /nfs/dbraw/zinc/27/27/85/600272785.db2.gz MAKPVVJXAVUEMD-FPLPWBNLSA-N -2 0 311.359 1.792 20 0 DDADRL Cc1nn2c(S[C@H](C(=O)[O-])c3ccccc3)n[n-]c2nc1=O ZINC000738377860 600379302 /nfs/dbraw/zinc/37/93/02/600379302.db2.gz FGOJVTTYDNOZEM-VIFPVBQESA-N -2 0 317.330 1.039 20 0 DDADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2nnc3ccccn32)c1 ZINC000740279464 600521290 /nfs/dbraw/zinc/52/12/90/600521290.db2.gz ZRDBUJUDEHCRTC-UHFFFAOYSA-N -2 0 324.343 1.290 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cc2occc2s1 ZINC000739691252 600571891 /nfs/dbraw/zinc/57/18/91/600571891.db2.gz GTIIKXAAHYZFBB-UHFFFAOYSA-N -2 0 317.344 1.419 20 0 DDADRL Cn1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC000739037866 600888128 /nfs/dbraw/zinc/88/81/28/600888128.db2.gz HEVDYDRKUWHUHP-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL CCN(CC(=O)[O-])C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000829628531 601283688 /nfs/dbraw/zinc/28/36/88/601283688.db2.gz FVBZBAZMCLTYGZ-UHFFFAOYSA-N -2 0 321.308 1.572 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000830232190 601616910 /nfs/dbraw/zinc/61/69/10/601616910.db2.gz GFQRZTGMFTWTNG-MRVPVSSYSA-N -2 0 315.347 1.410 20 0 DDADRL O=C([O-])[C@@H](NC(=O)c1cccc(Br)c1[O-])C1CC1 ZINC000833124943 601758814 /nfs/dbraw/zinc/75/88/14/601758814.db2.gz DICXEKFMGKXFQL-VIFPVBQESA-N -2 0 314.135 1.748 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc2n[nH]cc21 ZINC000833346946 601836942 /nfs/dbraw/zinc/83/69/42/601836942.db2.gz XNMOPMIUQDEDQG-UHFFFAOYSA-N -2 0 324.343 1.518 20 0 DDADRL O=C([O-])CSc1ccc(OS(=O)(=O)c2cnc[n-]2)cc1 ZINC000833265049 601987376 /nfs/dbraw/zinc/98/73/76/601987376.db2.gz RDWCMENNOCFJPJ-UHFFFAOYSA-N -2 0 314.344 1.354 20 0 DDADRL O=C([O-])Nc1cc(NC(=O)NCc2n[nH]c(=O)[n-]2)ccc1F ZINC000833282432 602364834 /nfs/dbraw/zinc/36/48/34/602364834.db2.gz GYJRFUKILXZKMT-UHFFFAOYSA-N -2 0 310.245 1.061 20 0 DDADRL CC(C)CCS(=O)(=O)[N-]C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736436749 602651437 /nfs/dbraw/zinc/65/14/37/602651437.db2.gz XQDZFHRELNRFCI-UHFFFAOYSA-N -2 0 314.363 1.882 20 0 DDADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)n[nH]1 ZINC000833450148 604688883 /nfs/dbraw/zinc/68/88/83/604688883.db2.gz HXJZLEJDVNHUMU-UHFFFAOYSA-N -2 0 324.362 1.601 20 0 DDADRL CC(C)n1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833513959 604699245 /nfs/dbraw/zinc/69/92/45/604699245.db2.gz LKTBDDGDBLHJHI-UHFFFAOYSA-N -2 0 310.335 1.358 20 0 DDADRL C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000833601511 605188180 /nfs/dbraw/zinc/18/81/80/605188180.db2.gz LLFHVIUGVQTGFU-JGVFFNPUSA-N -2 0 317.388 1.687 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(=O)[O-])C1 ZINC000834058365 605305992 /nfs/dbraw/zinc/30/59/92/605305992.db2.gz BYHUYMAJTROUCG-RYUDHWBXSA-N -2 0 312.366 1.622 20 0 DDADRL O=C([O-])C[C@@H](NC(=O)CC1CN(C(=O)[O-])C1)c1ccccc1 ZINC000834061128 606029385 /nfs/dbraw/zinc/02/93/85/606029385.db2.gz OXMDAQNPUKOQTG-GFCCVEGCSA-N -2 0 306.318 1.319 20 0 DDADRL O=C([O-])C[C@@H](NC(=O)CC1CN(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000834061722 606031784 /nfs/dbraw/zinc/03/17/84/606031784.db2.gz YUYKCZZBTYTEQK-GFCCVEGCSA-N -2 0 324.308 1.458 20 0 DDADRL O=C([O-])C[C@@H](NC(=O)C[C@H](NC(=O)[O-])c1ccccc1)C1CC1 ZINC000834061174 606054340 /nfs/dbraw/zinc/05/43/40/606054340.db2.gz PUFDRUZXLUZVRT-QWHCGFSZSA-N -2 0 320.345 1.755 20 0 DDADRL O=C([O-])CCCCCCNC(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000834059139 606056569 /nfs/dbraw/zinc/05/65/69/606056569.db2.gz HEXINPKJSMWOKW-LLVKDONJSA-N -2 0 300.355 1.670 20 0 DDADRL O=C([O-])NC1(CC(=O)NCc2nc(C(=O)[O-])cs2)CCC1 ZINC000834153815 606061312 /nfs/dbraw/zinc/06/13/12/606061312.db2.gz BOUQWSRGQXDNPR-UHFFFAOYSA-N -2 0 313.335 1.038 20 0 DDADRL O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000834018764 606069503 /nfs/dbraw/zinc/06/95/03/606069503.db2.gz CLBKZMAOBPQSAX-GRYCIOLGSA-N -2 0 312.366 1.526 20 0 DDADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CCCC(=O)[O-] ZINC000037828235 696133938 /nfs/dbraw/zinc/13/39/38/696133938.db2.gz OYGLOMSRVOWZFF-UHFFFAOYSA-N -2 0 309.347 1.198 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1csc(Cc2ccccc2)n1 ZINC000816733879 702168876 /nfs/dbraw/zinc/16/88/76/702168876.db2.gz PAZDVYYEBDAYJV-UHFFFAOYSA-N -2 0 317.330 1.121 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)nn1C ZINC000817353340 702348485 /nfs/dbraw/zinc/34/84/85/702348485.db2.gz SKUVRMLQPVOWQL-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL O=C([O-])c1cc([N-]S(=O)(=O)C(F)F)cc2c1OCCO2 ZINC000817419946 702377244 /nfs/dbraw/zinc/37/72/44/702377244.db2.gz IEQDTXXGWSNDSH-UHFFFAOYSA-N -2 0 309.246 1.120 20 0 DDADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1)C1CCCC1 ZINC000863951562 706044649 /nfs/dbraw/zinc/04/46/49/706044649.db2.gz KQURVZGYOLBFBD-GFCCVEGCSA-N -2 0 311.359 1.383 20 0 DDADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000863951785 706044869 /nfs/dbraw/zinc/04/48/69/706044869.db2.gz CCLPNGVHHSBFPB-UHFFFAOYSA-N -2 0 303.311 1.276 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C(=O)[O-])CC2(C)C)s1 ZINC000863952999 706045094 /nfs/dbraw/zinc/04/50/94/706045094.db2.gz LTGNFLGBTAQNKI-GFCCVEGCSA-N -2 0 317.388 1.362 20 0 DDADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000863953294 706045326 /nfs/dbraw/zinc/04/53/26/706045326.db2.gz NIYKIHQLWZLLIX-UHFFFAOYSA-N -2 0 321.301 1.415 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)s1 ZINC000863953451 706045516 /nfs/dbraw/zinc/04/55/16/706045516.db2.gz VNOHUKSYYJDYDZ-UHFFFAOYSA-N -2 0 315.372 1.282 20 0 DDADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000863953594 706045615 /nfs/dbraw/zinc/04/56/15/706045615.db2.gz SRYHRVJCUAQOEJ-UHFFFAOYSA-N -2 0 313.375 1.524 20 0 DDADRL O=C([O-])CSCC(=O)[N-]S(=O)(=O)CCC1CCCCC1 ZINC000863963041 706047353 /nfs/dbraw/zinc/04/73/53/706047353.db2.gz HGLSHAZYAMZZTR-UHFFFAOYSA-N -2 0 323.436 1.221 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@H]1CC2CCC1CC2 ZINC000863963648 706047494 /nfs/dbraw/zinc/04/74/94/706047494.db2.gz CTTFEKWPAHBLOI-QQFIATSDSA-N -2 0 317.407 1.368 20 0 DDADRL CCc1ccccc1CC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910185013 709801527 /nfs/dbraw/zinc/80/15/27/709801527.db2.gz UEUWYWSYTOKQOT-KGLIPLIRSA-N -2 0 319.357 1.568 20 0 DDADRL Cc1ccc(F)c(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910188543 709803623 /nfs/dbraw/zinc/80/36/23/709803623.db2.gz LLACWZUUPWHPAX-BXKDBHETSA-N -2 0 309.293 1.524 20 0 DDADRL Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])ccc1F ZINC000910189219 709804166 /nfs/dbraw/zinc/80/41/66/709804166.db2.gz REDVSFYWCHBBHT-JQWIXIFHSA-N -2 0 309.293 1.524 20 0 DDADRL C[C@H]1CN(C(=O)C2(C(=O)[O-])CCCCCC2)CC[C@H]1C(=O)[O-] ZINC000902174910 710648500 /nfs/dbraw/zinc/64/85/00/710648500.db2.gz CGLCKNBEBUNIGT-NWDGAFQWSA-N -2 0 311.378 1.981 20 0 DDADRL CCN(CCC1CC1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906931969 712441925 /nfs/dbraw/zinc/44/19/25/712441925.db2.gz QZRRINUFZJCWSX-UHFFFAOYSA-N -2 0 313.375 1.901 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])C(F)(F)c1ccc(F)cc1 ZINC001182891457 743746801 /nfs/dbraw/zinc/74/68/01/743746801.db2.gz TZVOCBVGRVUNDT-UHFFFAOYSA-N -2 0 313.168 1.143 20 0 DDADRL C[C@@H]1CN(C(=O)c2ccccc2OP(=O)([O-])[O-])CCCO1 ZINC001189860206 745003649 /nfs/dbraw/zinc/00/36/49/745003649.db2.gz BKZQFTGUQQMISP-SNVBAGLBSA-N -2 0 315.262 1.409 20 0 DDADRL COc1ccnc(NC(=O)c2ccccc2OP(=O)([O-])[O-])c1 ZINC001189860395 745003883 /nfs/dbraw/zinc/00/38/83/745003883.db2.gz GBEXAJMUQJZOFB-UHFFFAOYSA-N -2 0 324.229 1.814 20 0 DDADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CCc2[nH]cnc2C1 ZINC001189870910 745008687 /nfs/dbraw/zinc/00/86/87/745008687.db2.gz HLKLHQGPWSAMBM-UHFFFAOYSA-N -2 0 323.245 1.080 20 0 DDADRL CCc1nccnc1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189872914 745010076 /nfs/dbraw/zinc/01/00/76/745010076.db2.gz XTQIFGNKJVWNQP-UHFFFAOYSA-N -2 0 323.245 1.763 20 0 DDADRL O=C(NCc1ncccc1O)c1ccccc1OP(=O)([O-])[O-] ZINC001189899424 745048077 /nfs/dbraw/zinc/04/80/77/745048077.db2.gz BDUZZADNJORVAE-UHFFFAOYSA-N -2 0 324.229 1.189 20 0 DDADRL O=S(=O)([N-]c1ncc(F)cc1[O-])C(Cl)(Cl)Cl ZINC001192001951 745663332 /nfs/dbraw/zinc/66/33/32/745663332.db2.gz XJCQXDNONAXITQ-UHFFFAOYSA-N -2 0 309.533 1.996 20 0 DDADRL CCOc1ccc(S(=O)(=O)[N-]c2ccno2)cc1C(=O)[O-] ZINC001192608455 745841114 /nfs/dbraw/zinc/84/11/14/745841114.db2.gz MKKKPUPHXPUBFD-UHFFFAOYSA-N -2 0 312.303 1.572 20 0 DDADRL Cc1cncnc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192690082 745864043 /nfs/dbraw/zinc/86/40/43/745864043.db2.gz PSECIHJUJNYHSG-UHFFFAOYSA-N -2 0 323.330 1.049 20 0 DDADRL Cc1cc(C(F)(F)F)cc(NCCOP(=O)([O-])[O-])n1 ZINC001168587875 751188215 /nfs/dbraw/zinc/18/82/15/751188215.db2.gz ZATUYFMXBVSUNP-UHFFFAOYSA-N -2 0 300.173 1.930 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc3c2CCC3)C1 ZINC000828470947 759661853 /nfs/dbraw/zinc/66/18/53/759661853.db2.gz XJDDLBHGJMGINX-RISCZKNCSA-N -2 0 317.341 1.565 20 0 DDADRL Cc1nc2cc(F)ccc2c(NCCOP(=O)([O-])[O-])n1 ZINC001157787367 766639018 /nfs/dbraw/zinc/63/90/18/766639018.db2.gz ISMMPJRHGDJVHD-UHFFFAOYSA-N -2 0 301.214 1.599 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cccc2c(F)cccc12 ZINC001156104841 862724100 /nfs/dbraw/zinc/72/41/00/862724100.db2.gz TXOLRMYZOGAKBU-UHFFFAOYSA-N -2 0 313.221 1.818 20 0 DDADRL O=C([O-])C[C@H](C(=O)Oc1cccc(C(F)F)c1)[C@H](O)C(=O)[O-] ZINC001225544322 881898681 /nfs/dbraw/zinc/89/86/81/881898681.db2.gz SKUAUWBFXDJJPY-WPRPVWTQSA-N -2 0 318.228 1.066 20 0 DDADRL O=P([O-])([O-])c1ccc(NC[C@H]2Cc3ccccc3O2)cc1 ZINC001163866384 868764680 /nfs/dbraw/zinc/76/46/80/868764680.db2.gz OKUQILUDMWKMSQ-CYBMUJFWSA-N -2 0 305.270 1.905 20 0 DDADRL CC(C)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001228100682 883333355 /nfs/dbraw/zinc/33/33/55/883333355.db2.gz RBQOSQVUXOVHID-YPMHNXCESA-N -2 0 310.302 1.252 20 0 DDADRL Cc1cc(C(C)C)ccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230210306 884377589 /nfs/dbraw/zinc/37/75/89/884377589.db2.gz GICRDAUEAXRDDC-RISCZKNCSA-N -2 0 324.329 1.560 20 0 DDADRL COCCn1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1=O ZINC001242162911 891357067 /nfs/dbraw/zinc/35/70/67/891357067.db2.gz LWJDIRLYJWNYDL-UHFFFAOYSA-N -2 0 317.297 1.558 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cncc(CO)c2)c1 ZINC001260184677 899079476 /nfs/dbraw/zinc/07/94/76/899079476.db2.gz WUQDHIIIPCYARL-UHFFFAOYSA-N -2 0 308.315 1.073 20 0 DDADRL Cc1ccnnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260209937 899091312 /nfs/dbraw/zinc/09/13/12/899091312.db2.gz KRKWRKAUTLQWME-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL Cc1cc(C(=O)Nc2ccccc2F)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000151437425 408311273 /nfs/dbraw/zinc/31/12/73/408311273.db2.gz IUQWBSQKMCNXLK-UHFFFAOYSA-N -2 0 314.276 1.724 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000347386755 410512284 /nfs/dbraw/zinc/51/22/84/410512284.db2.gz DSWJSXQXZGOUHT-UHFFFAOYSA-N -2 0 320.330 1.698 20 0 DDADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)N=c1cccn[n-]1 ZINC000343626468 410579328 /nfs/dbraw/zinc/57/93/28/410579328.db2.gz XFEYQLJOZRIDGD-UHFFFAOYSA-N -2 0 316.346 1.273 20 0 DDADRL O=C([O-])C1(NC(=O)c2nn(-c3ccccc3)cc2[O-])CCCC1 ZINC000555130050 421669613 /nfs/dbraw/zinc/66/96/13/421669613.db2.gz VJIQPFLPEIJRJD-UHFFFAOYSA-N -2 0 315.329 1.705 20 0 DDADRL COCc1n[n-]c(=NCCOc2ccc(C(=O)[O-])cc2)s1 ZINC000580837643 421846901 /nfs/dbraw/zinc/84/69/01/421846901.db2.gz XWOMUBVYDHJGRU-UHFFFAOYSA-N -2 0 309.347 1.296 20 0 DDADRL COCc1n[n-]c(=NC[C@@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000650777101 423255032 /nfs/dbraw/zinc/25/50/32/423255032.db2.gz SXAAQUZBEPPFOI-CQSZACIVSA-N -2 0 307.375 1.561 20 0 DDADRL CCC(CC)(CNC(=O)NC[C@@H](C(=O)[O-])C(C)C)C(=O)[O-] ZINC000655878476 424689921 /nfs/dbraw/zinc/68/99/21/424689921.db2.gz CLTJUGMBRKFFPI-SNVBAGLBSA-N -2 0 302.371 1.533 20 0 DDADRL C[C@@](CNC(=O)C1(C(=O)[O-])CC=CC1)(C(=O)[O-])c1ccccc1 ZINC000663120069 484684289 /nfs/dbraw/zinc/68/42/89/484684289.db2.gz OQSRIQKBRXVZLG-INIZCTEOSA-N -2 0 317.341 1.566 20 0 DDADRL O=C([O-])[C@H](C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)C1CC1 ZINC000663132983 484693600 /nfs/dbraw/zinc/69/36/00/484693600.db2.gz NAVURYLNUXYFEL-STQMWFEESA-N -2 0 303.314 1.308 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])C1 ZINC000663149349 484704739 /nfs/dbraw/zinc/70/47/39/484704739.db2.gz WYWBIYJXYAMUQV-OUCADQQQSA-N -2 0 317.341 1.698 20 0 DDADRL O=C([O-])c1ccc(CNC(=O)C[C@@]2(C(=O)[O-])CCSC2)cc1 ZINC000819135148 597204784 /nfs/dbraw/zinc/20/47/84/597204784.db2.gz KFTLKEZCBGKQRJ-HNNXBMFYSA-N -2 0 323.370 1.599 20 0 DDADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CCCNC(=O)[O-] ZINC000737497093 599715248 /nfs/dbraw/zinc/71/52/48/599715248.db2.gz WLPRRDVKWYSDPW-UHFFFAOYSA-N -2 0 324.362 1.403 20 0 DDADRL CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000736156125 600044177 /nfs/dbraw/zinc/04/41/77/600044177.db2.gz QULBMJURUNZWQM-UHFFFAOYSA-N -2 0 311.237 1.228 20 0 DDADRL CC(C)(C)/C=C\C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736252340 600271783 /nfs/dbraw/zinc/27/17/83/600271783.db2.gz VYXKWYFJTJCPFK-XQRVVYSFSA-N -2 0 317.388 1.854 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCCc1ccccc1 ZINC000739693332 600464649 /nfs/dbraw/zinc/46/46/49/600464649.db2.gz YRGOKECYAZAHKU-UHFFFAOYSA-N -2 0 313.375 1.320 20 0 DDADRL CSc1ccccc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000738213256 600465202 /nfs/dbraw/zinc/46/52/02/600465202.db2.gz AFASBUVKUPFHAO-UHFFFAOYSA-N -2 0 317.388 1.333 20 0 DDADRL CCCc1ncc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])s1 ZINC000829570178 600947110 /nfs/dbraw/zinc/94/71/10/600947110.db2.gz CXWIONPJMXWEPS-UHFFFAOYSA-N -2 0 320.392 1.020 20 0 DDADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c(C)c1 ZINC000832874541 600986765 /nfs/dbraw/zinc/98/67/65/600986765.db2.gz MAVNRLKGGSIKSC-UHFFFAOYSA-N -2 0 324.362 1.089 20 0 DDADRL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000833014397 601231408 /nfs/dbraw/zinc/23/14/08/601231408.db2.gz VEMAWAZQLOWKRB-UHFFFAOYSA-N -2 0 313.335 1.437 20 0 DDADRL Cc1oc(S(=O)(=O)[N-]c2c(O)cccc2F)cc1C(=O)[O-] ZINC000833026470 601234105 /nfs/dbraw/zinc/23/41/05/601234105.db2.gz DRJOWOPMFHYDAV-UHFFFAOYSA-N -2 0 315.278 1.932 20 0 DDADRL CCC[C@H](NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C)c1nnn[n-]1 ZINC000829231243 601304883 /nfs/dbraw/zinc/30/48/83/601304883.db2.gz USZPILMHXLXJJV-VIFPVBQESA-N -2 0 320.353 1.368 20 0 DDADRL O=C([O-])[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CC1 ZINC000833125806 601757909 /nfs/dbraw/zinc/75/79/09/601757909.db2.gz RAKGMDFWQVQTOM-GFCCVEGCSA-N -2 0 319.292 1.310 20 0 DDADRL O=C([O-])c1csc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000833343774 602116625 /nfs/dbraw/zinc/11/66/25/602116625.db2.gz NRQQFXFASHEXBF-SECBINFHSA-N -2 0 305.377 1.757 20 0 DDADRL Cc1nc(C)c(S(=O)(=O)[N-]c2csnc2C(=O)[O-])s1 ZINC000832996259 602155986 /nfs/dbraw/zinc/15/59/86/602155986.db2.gz WYKYBAXVLOOQQS-UHFFFAOYSA-N -2 0 319.389 1.715 20 0 DDADRL O=C([O-])N1CCC[C@H]1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000740470049 602158565 /nfs/dbraw/zinc/15/85/65/602158565.db2.gz OGZBEPPJTICDOL-JTQLQIEISA-N -2 0 318.289 1.111 20 0 DDADRL Cn1c(Cl)ncc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000759704924 602195222 /nfs/dbraw/zinc/19/52/22/602195222.db2.gz DGNWHQXZYTVYOR-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL Cc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])ccc1Cl ZINC000832864923 602385394 /nfs/dbraw/zinc/38/53/94/602385394.db2.gz XIFNOCBGWPPGNO-UHFFFAOYSA-N -2 0 319.766 1.573 20 0 DDADRL O=C(CC1(C(=O)[O-])CCCCC1)NC[C@@H]1CCCN1C(=O)[O-] ZINC000740350732 602593918 /nfs/dbraw/zinc/59/39/18/602593918.db2.gz UCCRADRZKHPNAJ-NSHDSACASA-N -2 0 312.366 1.670 20 0 DDADRL CCC[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000739320716 602671016 /nfs/dbraw/zinc/67/10/16/602671016.db2.gz RDZFXZHAACFZMI-SNVBAGLBSA-N -2 0 306.384 1.201 20 0 DDADRL C[C@@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cn(C)cn2)cc1 ZINC000825449403 603402322 /nfs/dbraw/zinc/40/23/22/603402322.db2.gz PSPQEVUJBRFPSJ-SECBINFHSA-N -2 0 324.362 1.550 20 0 DDADRL CN(Cc1nc(=O)c2sccc2[n-]1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828423078 603538151 /nfs/dbraw/zinc/53/81/51/603538151.db2.gz WTKDAFHQZSMLEZ-MRVPVSSYSA-N -2 0 308.363 1.581 20 0 DDADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)ncn1 ZINC000833728912 604884203 /nfs/dbraw/zinc/88/42/03/604884203.db2.gz DRXAFEDTSLEWCC-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000833601625 605188105 /nfs/dbraw/zinc/18/81/05/605188105.db2.gz NABVJFCYFKEPHJ-ZJUUUORDSA-N -2 0 311.359 1.626 20 0 DDADRL CCC(CC)CC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000826571219 605272637 /nfs/dbraw/zinc/27/26/37/605272637.db2.gz DFNHPQJMQLZQIC-JTQLQIEISA-N -2 0 306.384 1.011 20 0 DDADRL CCC(CC)CC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826571220 605272661 /nfs/dbraw/zinc/27/26/61/605272661.db2.gz DFNHPQJMQLZQIC-SNVBAGLBSA-N -2 0 306.384 1.011 20 0 DDADRL O=C(CCC1CCCC1)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000831424988 605281626 /nfs/dbraw/zinc/28/16/26/605281626.db2.gz XCKYILXASKWVFC-LLVKDONJSA-N -2 0 318.395 1.155 20 0 DDADRL O=C([O-])N1[C@H](C(=O)[N-]OCc2cccnc2)C[C@@H]2CCCC[C@@H]21 ZINC000834050027 605656409 /nfs/dbraw/zinc/65/64/09/605656409.db2.gz UWODNYNRSDJTGQ-IHRRRGAJSA-N -2 0 319.361 1.941 20 0 DDADRL O=C([O-])NCCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000834234896 605910146 /nfs/dbraw/zinc/91/01/46/605910146.db2.gz ZINDGVWBRKCNRP-UHFFFAOYSA-N -2 0 314.363 1.071 20 0 DDADRL O=C([O-])CN(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)C1CC1 ZINC000834066680 606048384 /nfs/dbraw/zinc/04/83/84/606048384.db2.gz VNQKZPMCDPOPFH-CYBMUJFWSA-N -2 0 320.345 1.851 20 0 DDADRL O=C([O-])C[C@H](NC(=O)Cc1ccc(NC(=O)[O-])cc1)C1CC1 ZINC000834061197 606054705 /nfs/dbraw/zinc/05/47/05/606054705.db2.gz QFKBWIAJDLKBBB-LBPRGKRZSA-N -2 0 306.318 1.689 20 0 DDADRL O=C([O-])COc1cccc(NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)c1 ZINC000834066619 606057230 /nfs/dbraw/zinc/05/72/30/606057230.db2.gz UGFWHOAIGGTTED-KOLCDFICSA-N -2 0 322.317 1.525 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000834283378 606057763 /nfs/dbraw/zinc/05/77/63/606057763.db2.gz NZXOWTKPUWICDR-LBPRGKRZSA-N -2 0 306.318 1.391 20 0 DDADRL O=C([O-])CCCCNC(=O)C1(NC(=O)[O-])Cc2ccccc2C1 ZINC000834060624 606058127 /nfs/dbraw/zinc/05/81/27/606058127.db2.gz TVHKQMYGJWLKLO-UHFFFAOYSA-N -2 0 320.345 1.163 20 0 DDADRL CCC1CCC(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)(C(=O)[O-])CC1 ZINC000833847868 606066110 /nfs/dbraw/zinc/06/61/10/606066110.db2.gz ZTQASBLSJDMXAZ-LOIXOFCESA-N -2 0 312.366 1.526 20 0 DDADRL O=C([O-])Nc1ccc(C(=O)NC2(C(=O)[O-])CCSCC2)cc1 ZINC000834257850 606068618 /nfs/dbraw/zinc/06/86/18/606068618.db2.gz PZHOSIBUVUTYIV-UHFFFAOYSA-N -2 0 324.358 1.857 20 0 DDADRL O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000834018765 606069114 /nfs/dbraw/zinc/06/91/14/606069114.db2.gz CLBKZMAOBPQSAX-IJLUTSLNSA-N -2 0 312.366 1.526 20 0 DDADRL O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000834186879 606112129 /nfs/dbraw/zinc/11/21/29/606112129.db2.gz VRECVCSBZQYDSP-QJPTWQEYSA-N -2 0 312.366 1.526 20 0 DDADRL O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)Cc2ccccc21 ZINC000834061438 606112770 /nfs/dbraw/zinc/11/27/70/606112770.db2.gz UKFMBRLOUUSRAW-DGCLKSJQSA-N -2 0 318.329 1.197 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000834059827 606113613 /nfs/dbraw/zinc/11/36/13/606113613.db2.gz LIDZXEPDMCIQBC-NEPJUHHUSA-N -2 0 312.366 1.526 20 0 DDADRL Cn1nc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000776427784 698106411 /nfs/dbraw/zinc/10/64/11/698106411.db2.gz SHLHCMFXMBGJTJ-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL Cn1nc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000725223353 699331474 /nfs/dbraw/zinc/33/14/74/699331474.db2.gz DBWJVDBZAKTXDM-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL C[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccccc1F ZINC000736215733 699720418 /nfs/dbraw/zinc/72/04/18/699720418.db2.gz NDHZKMFNCARMCT-VIFPVBQESA-N -2 0 317.338 1.240 20 0 DDADRL C[C@H](CSCC[N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000843299930 702856183 /nfs/dbraw/zinc/85/61/83/702856183.db2.gz ZSIOTJDKJYQHFB-RQJHMYQMSA-N -2 0 323.358 1.311 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]C[C@@H](CC1CC1)C(=O)[O-] ZINC000844821423 703076054 /nfs/dbraw/zinc/07/60/54/703076054.db2.gz ODFXYWNQAFHSKF-HTRCEHHLSA-N -2 0 303.302 1.358 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc(Oc2ccccc2)ccn1 ZINC000820292492 704254491 /nfs/dbraw/zinc/25/44/91/704254491.db2.gz TXCZBQJFDUCROL-UHFFFAOYSA-N -2 0 313.273 1.261 20 0 DDADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000863951666 706044616 /nfs/dbraw/zinc/04/46/16/706044616.db2.gz PTYQGHVBTBPWIU-SNVBAGLBSA-N -2 0 317.750 1.256 20 0 DDADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000863951665 706044742 /nfs/dbraw/zinc/04/47/42/706044742.db2.gz PTYQGHVBTBPWIU-JTQLQIEISA-N -2 0 317.750 1.256 20 0 DDADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)CCc2ccccc2)CC=CC1 ZINC000863954014 706045539 /nfs/dbraw/zinc/04/55/39/706045539.db2.gz IMJFNAZMWAMJNN-UHFFFAOYSA-N -2 0 323.370 1.096 20 0 DDADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1sccc1Cl)C1CC1 ZINC000863963325 706047458 /nfs/dbraw/zinc/04/74/58/706047458.db2.gz RZZKYSYKWUKLPH-SSDOTTSWSA-N -2 0 323.779 1.317 20 0 DDADRL O=C([O-])[C@H](NC(=O)c1ccc([O-])c(Cl)c1)[C@H]1CCCOC1 ZINC000909544024 709509056 /nfs/dbraw/zinc/50/90/56/709509056.db2.gz HXGHYAADIBCQSK-JOYOIKCWSA-N -2 0 313.737 1.655 20 0 DDADRL O=C([O-])C[C@]1(NC(=O)c2cc(F)c([O-])c(Cl)c2)CCOC1 ZINC000909701998 709586633 /nfs/dbraw/zinc/58/66/33/709586633.db2.gz YXXODKXFWSUXNV-CYBMUJFWSA-N -2 0 317.700 1.548 20 0 DDADRL O=C([O-])C[C@@]1(NC(=O)c2cc(F)c([O-])c(Cl)c2)CCOC1 ZINC000909701999 709586734 /nfs/dbraw/zinc/58/67/34/709586734.db2.gz YXXODKXFWSUXNV-ZDUSSCGKSA-N -2 0 317.700 1.548 20 0 DDADRL CC(C)CCSCC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910188997 709804110 /nfs/dbraw/zinc/80/41/10/709804110.db2.gz OUSHPQAXLXXEDQ-MNOVXSKESA-N -2 0 317.407 1.542 20 0 DDADRL CCc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])s1 ZINC000910189173 709804297 /nfs/dbraw/zinc/80/42/97/709804297.db2.gz QVCCHJJBBUCLKJ-SCZZXKLOSA-N -2 0 311.359 1.701 20 0 DDADRL Cn1[n-]c(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1=O ZINC000901639656 710105000 /nfs/dbraw/zinc/10/50/00/710105000.db2.gz LZPZVCVLOCJSKE-JTQLQIEISA-N -2 0 301.302 1.344 20 0 DDADRL COc1ccccc1CO[N-]C(=O)C1(C(=O)[O-])CCOCC1 ZINC000911807340 711004608 /nfs/dbraw/zinc/00/46/08/711004608.db2.gz ZUJJOZZBCFRZHK-UHFFFAOYSA-N -2 0 309.318 1.124 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CC(=O)[O-])C1CCCC1 ZINC000906005785 712218835 /nfs/dbraw/zinc/21/88/35/712218835.db2.gz VJEGWNLYGQHJIK-APPZFPTMSA-N -2 0 317.329 1.890 20 0 DDADRL CC(C)C[C@](C)(C[N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000926575395 715090133 /nfs/dbraw/zinc/09/01/33/715090133.db2.gz GUKKGRXVTGWCNV-WCBMZHEXSA-N -2 0 319.345 1.994 20 0 DDADRL O=C(Cc1c[nH]c2ccc(F)cc12)NCCOP(=O)([O-])[O-] ZINC001183357146 743822405 /nfs/dbraw/zinc/82/24/05/743822405.db2.gz RDHQVAULNMEHBO-UHFFFAOYSA-N -2 0 316.225 1.075 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cncnc1C ZINC001185876643 744307072 /nfs/dbraw/zinc/30/70/72/744307072.db2.gz ZQMAOPPGGYWCPO-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccnc(Cl)c1[O-] ZINC001193023956 745962989 /nfs/dbraw/zinc/96/29/89/745962989.db2.gz AOTUIDWVTKGTPX-UHFFFAOYSA-N -2 0 322.770 1.524 20 0 DDADRL O=C([O-])CCC(=O)CNC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197138610 747063187 /nfs/dbraw/zinc/06/31/87/747063187.db2.gz KKBCSMZKCDHMDM-UHFFFAOYSA-N -2 0 310.331 1.105 20 0 DDADRL COc1cccc(O)c1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198782784 747595269 /nfs/dbraw/zinc/59/52/69/747595269.db2.gz PBGJQGDQPYELRQ-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL O=P([O-])([O-])OCCNc1cc(O)ccc1Br ZINC001168591589 751220047 /nfs/dbraw/zinc/22/00/47/751220047.db2.gz CMIOMVZMOPRUNR-UHFFFAOYSA-N -2 0 312.056 1.676 20 0 DDADRL COC(=O)C(C)(C)c1ccc(NCCOP(=O)([O-])[O-])cc1 ZINC001168591679 751221122 /nfs/dbraw/zinc/22/11/22/751221122.db2.gz VVQWZYQJMOMDCJ-UHFFFAOYSA-N -2 0 317.278 1.658 20 0 DDADRL CCOC(=O)COc1ccccc1NCCOP(=O)([O-])[O-] ZINC001168596163 751271238 /nfs/dbraw/zinc/27/12/38/751271238.db2.gz QCKJOQFCMOQYGI-UHFFFAOYSA-N -2 0 319.250 1.150 20 0 DDADRL O=c1c(Nc2ccc(P(=O)([O-])[O-])cc2)cccn1CC1CC1 ZINC001169455056 762434222 /nfs/dbraw/zinc/43/42/22/762434222.db2.gz UJUIGSFGDCJCHI-UHFFFAOYSA-N -2 0 320.285 1.805 20 0 DDADRL Nc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])s1 ZINC001174809214 777606971 /nfs/dbraw/zinc/60/69/71/777606971.db2.gz ZQMPFSLLDLQPRY-UHFFFAOYSA-N -2 0 316.335 1.968 20 0 DDADRL COc1nc(C)cnc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176240188 778089729 /nfs/dbraw/zinc/08/97/29/778089729.db2.gz XDYIZXHGRRIZBC-UHFFFAOYSA-N -2 0 303.274 1.934 20 0 DDADRL O=C(Nc1nccc(Br)c1[O-])c1c[n-]ncc1=O ZINC001412406248 854511164 /nfs/dbraw/zinc/51/11/64/854511164.db2.gz QIXJTUCWCLOSKA-UHFFFAOYSA-N -2 0 311.095 1.298 20 0 DDADRL Cc1ccc(Cl)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001225206370 881725226 /nfs/dbraw/zinc/72/52/26/881725226.db2.gz NEIYTPQHYYPWQI-RDDDGLTNSA-N -2 0 316.693 1.090 20 0 DDADRL O=C(Oc1cccc2sccc21)[C@H](O)COP(=O)([O-])[O-] ZINC001230214177 884376910 /nfs/dbraw/zinc/37/69/10/884376910.db2.gz OYEBGDRABUYXKS-MRVPVSSYSA-N -2 0 318.243 1.277 20 0 DDADRL O=C([O-])C[C@H](C(=O)Oc1cccc2sccc21)[C@H](O)C(=O)[O-] ZINC001230214575 884377085 /nfs/dbraw/zinc/37/70/85/884377085.db2.gz UJJLWAXWHCNMCZ-UFBFGSQYSA-N -2 0 324.310 1.343 20 0 DDADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(C2CC2)cc1)[C@@H](O)C(=O)[O-] ZINC001230252876 884390575 /nfs/dbraw/zinc/39/05/75/884390575.db2.gz IWRWBURISDKOPN-DGCLKSJQSA-N -2 0 308.286 1.006 20 0 DDADRL O=P([O-])([O-])c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC001241445865 891175031 /nfs/dbraw/zinc/17/50/31/891175031.db2.gz FEQQCAAWSWAEGT-UHFFFAOYSA-N -2 0 302.230 1.337 20 0 DDADRL COC(=O)c1cnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1 ZINC001242159247 891353719 /nfs/dbraw/zinc/35/37/19/891353719.db2.gz FPXFVRFGCBOIHP-UHFFFAOYSA-N -2 0 302.242 1.327 20 0 DDADRL CCOC(=O)c1ccnnc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242159210 891355026 /nfs/dbraw/zinc/35/50/26/891355026.db2.gz JOTJOQUERQAGMH-UHFFFAOYSA-N -2 0 316.269 1.717 20 0 DDADRL Nc1ncc2cc(-c3ccc(P(=O)([O-])[O-])cc3)ccc2n1 ZINC001243997855 891773615 /nfs/dbraw/zinc/77/36/15/891773615.db2.gz MLOPNQCUKGIAFK-UHFFFAOYSA-N -2 0 301.242 1.682 20 0 DDADRL O=P([O-])([O-])c1ccc(-c2ccc(CO)c(F)c2F)cc1 ZINC001244721624 891898291 /nfs/dbraw/zinc/89/82/91/891898291.db2.gz OWMUANLCRBCLJY-UHFFFAOYSA-N -2 0 300.197 1.927 20 0 DDADRL O=c1cc(-c2cnccn2)[n-]n1-c1ccc(S(=O)(=O)[O-])cc1 ZINC001245932969 892275263 /nfs/dbraw/zinc/27/52/63/892275263.db2.gz SYWRHVUHDJOYSV-UHFFFAOYSA-N -2 0 318.314 1.282 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2c(C)noc2C)cc1C(=O)[O-] ZINC000271027721 539278371 /nfs/dbraw/zinc/27/83/71/539278371.db2.gz HMMQBJGOPLZARG-UHFFFAOYSA-N -2 0 313.335 1.612 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1 ZINC000092889993 185348086 /nfs/dbraw/zinc/34/80/86/185348086.db2.gz LSSHHVVTIDFDPB-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL CC(C)CCC(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000066589545 353006228 /nfs/dbraw/zinc/00/62/28/353006228.db2.gz YOWHFRUEJLIDMG-UHFFFAOYSA-N -2 0 320.392 1.192 20 0 DDADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000566311413 304143215 /nfs/dbraw/zinc/14/32/15/304143215.db2.gz CLTFUWABOGIZIM-UFBFGSQYSA-N -2 0 315.347 1.313 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccccc1 ZINC000262366405 203275393 /nfs/dbraw/zinc/27/53/93/203275393.db2.gz DPEYQIBVNPOCRQ-CBAPKCEASA-N -2 0 311.281 1.683 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)nc1C ZINC000336851707 249257253 /nfs/dbraw/zinc/25/72/53/249257253.db2.gz ALGJVGNEVRCQGB-UHFFFAOYSA-N -2 0 323.374 1.639 20 0 DDADRL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000035390826 406972090 /nfs/dbraw/zinc/97/20/90/406972090.db2.gz WAJBNURAZMMWEB-JTQLQIEISA-N -2 0 307.318 1.742 20 0 DDADRL Cc1ccnc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000151550166 407454297 /nfs/dbraw/zinc/45/42/97/407454297.db2.gz WYSURLGNLAEKGG-UHFFFAOYSA-N -2 0 311.301 1.288 20 0 DDADRL COC[C@@H](C)S(=O)(=O)Nc1ccc(C(=O)[O-])cc1SC ZINC000274953541 408573356 /nfs/dbraw/zinc/57/33/56/408573356.db2.gz TWOWJYJMVORXIA-MRVPVSSYSA-N -2 0 319.404 1.883 20 0 DDADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(C)nc2)cc1C(=O)[O-] ZINC000343276084 410301016 /nfs/dbraw/zinc/30/10/16/410301016.db2.gz PQEYLYOXGIZMBX-UHFFFAOYSA-N -2 0 321.358 1.901 20 0 DDADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3cn[nH]c3)ccc12 ZINC000347426468 410541152 /nfs/dbraw/zinc/54/11/52/410541152.db2.gz QKJBKBKVMJMKQM-UHFFFAOYSA-N -2 0 306.303 1.390 20 0 DDADRL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1F ZINC000131840642 196203618 /nfs/dbraw/zinc/20/36/18/196203618.db2.gz NFFULLVALBANEX-MRVPVSSYSA-N -2 0 307.318 1.887 20 0 DDADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424402120 228265010 /nfs/dbraw/zinc/26/50/10/228265010.db2.gz FTYFJMJKKGYMFK-UWVGGRQHSA-N -2 0 300.355 1.240 20 0 DDADRL CC[C@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC)OC ZINC000421144907 419500114 /nfs/dbraw/zinc/50/01/14/419500114.db2.gz CBFYJXAJXNNRLG-SNVBAGLBSA-N -2 0 317.363 1.560 20 0 DDADRL CCC(=O)c1ccc([O-])c(NC(=O)CSc2n[nH]c(=O)[n-]2)c1 ZINC000436659686 420350654 /nfs/dbraw/zinc/35/06/54/420350654.db2.gz SOCBERVOCIKKIJ-UHFFFAOYSA-N -2 0 322.346 1.539 20 0 DDADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CC(C)(C)OC ZINC000439245410 420500743 /nfs/dbraw/zinc/50/07/43/420500743.db2.gz KBHCUJVEUCYDCP-UHFFFAOYSA-N -2 0 317.363 1.560 20 0 DDADRL CCn1nccc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000471972904 420962316 /nfs/dbraw/zinc/96/23/16/420962316.db2.gz LDBCUGRAVMMDKF-UHFFFAOYSA-N -2 0 309.347 1.331 20 0 DDADRL CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)[C@H]1CCCO1 ZINC000563068678 421449868 /nfs/dbraw/zinc/44/98/68/421449868.db2.gz PITVJLBXDAZWPO-VHSXEESVSA-N -2 0 303.336 1.214 20 0 DDADRL O=C([O-])[C@@H]1CCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000563583155 421523012 /nfs/dbraw/zinc/52/30/12/421523012.db2.gz VCOCUFMAXLIJAD-SSDOTTSWSA-N -2 0 324.387 1.627 20 0 DDADRL Cn1ncc([N-]S(=O)(=O)c2c(F)cccc2F)c1C(=O)[O-] ZINC000538742666 421742080 /nfs/dbraw/zinc/74/20/80/421742080.db2.gz KOVVWEOLQIXAIN-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL O=C([O-])C1(CN=c2[n-]nc(C3CCOCC3)s2)CCCC1 ZINC000649401961 423862959 /nfs/dbraw/zinc/86/29/59/423862959.db2.gz AFKOMLHANURKIS-UHFFFAOYSA-N -2 0 311.407 1.911 20 0 DDADRL CO[C@@H](CS(=O)(=O)[N-]c1cc(F)cc(F)c1[O-])C1CC1 ZINC000641692508 423872512 /nfs/dbraw/zinc/87/25/12/423872512.db2.gz OBKIPARQJDDDOQ-NSHDSACASA-N -2 0 307.318 1.837 20 0 DDADRL CC(C)[C@@H](CNC(=O)c1ccc(OCC(=O)[O-])cc1)C(=O)[O-] ZINC000659765624 424236577 /nfs/dbraw/zinc/23/65/77/424236577.db2.gz HLGAERWMLWHYFY-GFCCVEGCSA-N -2 0 309.318 1.237 20 0 DDADRL Cc1cc(C(=O)N(C)c2cccnc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000345728988 272317025 /nfs/dbraw/zinc/31/70/25/272317025.db2.gz WTUWBNNZHMKYNH-UHFFFAOYSA-N -2 0 311.301 1.416 20 0 DDADRL O=C([O-])[C@@H]1CCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC000584089875 331685709 /nfs/dbraw/zinc/68/57/09/331685709.db2.gz NPCFOGXTKNODRC-SECBINFHSA-N -2 0 319.292 1.264 20 0 DDADRL COCc1nc(=NCCc2ccc(OCC(=O)[O-])cc2)s[n-]1 ZINC000584234518 331874263 /nfs/dbraw/zinc/87/42/63/331874263.db2.gz GOQWXXWECTWESY-UHFFFAOYSA-N -2 0 323.374 1.224 20 0 DDADRL C[C@@H]1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000663058008 484633950 /nfs/dbraw/zinc/63/39/50/484633950.db2.gz LVVGONQXDXHPPA-MFKMUULPSA-N -2 0 321.329 1.333 20 0 DDADRL C[C@H](NC(=O)C1(C(=O)[O-])CC=CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000663121164 484685417 /nfs/dbraw/zinc/68/54/17/484685417.db2.gz GJYWKGSRGCIGAI-GARJFASQSA-N -2 0 309.362 1.659 20 0 DDADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)CC(=O)[O-])n2)c1 ZINC000737647320 597120847 /nfs/dbraw/zinc/12/08/47/597120847.db2.gz PXEMNAZXIJAUKA-UHFFFAOYSA-N -2 0 317.345 1.858 20 0 DDADRL CCCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H](C)C(=O)[O-] ZINC000262863188 597330670 /nfs/dbraw/zinc/33/06/70/597330670.db2.gz DQENMGLREUUHJU-VIFPVBQESA-N -2 0 314.363 1.041 20 0 DDADRL Cc1nn(C)c([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c1C ZINC000738743906 600126959 /nfs/dbraw/zinc/12/69/59/600126959.db2.gz GECOTDQFKPIVAH-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)CCC2CC2)s1 ZINC000739226970 600202739 /nfs/dbraw/zinc/20/27/39/600202739.db2.gz YOLIYAUPRGAPES-UHFFFAOYSA-N -2 0 303.361 1.441 20 0 DDADRL CC(C)=C[C@H]1[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1(C)C ZINC000736343392 600463714 /nfs/dbraw/zinc/46/37/14/600463714.db2.gz BWBUTTUSJVGSLN-CMPLNLGQSA-N -2 0 317.407 1.536 20 0 DDADRL Cc1oc(C)c(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1C ZINC000738966066 600466052 /nfs/dbraw/zinc/46/60/52/600466052.db2.gz PHUMANRMHLBAMA-UHFFFAOYSA-N -2 0 303.336 1.129 20 0 DDADRL COc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccn1 ZINC000079705161 600576214 /nfs/dbraw/zinc/57/62/14/600576214.db2.gz NXHPKZUTTCUOOG-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)nc1 ZINC000832419690 600985821 /nfs/dbraw/zinc/98/58/21/600985821.db2.gz YXHVFGZSZNHXTH-UHFFFAOYSA-N -2 0 322.342 1.518 20 0 DDADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cncc(C)c1 ZINC000318367464 601230016 /nfs/dbraw/zinc/23/00/16/601230016.db2.gz XNQPCZRSZKFHKD-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(C)c2O)c1C(=O)[O-] ZINC000832971452 601604671 /nfs/dbraw/zinc/60/46/71/601604671.db2.gz ZLKFEVQZALDEMQ-UHFFFAOYSA-N -2 0 311.319 1.231 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)c1 ZINC000830429888 601783216 /nfs/dbraw/zinc/78/32/16/601783216.db2.gz XFBZLCUYUFLUES-UHFFFAOYSA-N -2 0 324.362 1.471 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)C1CCN(C(=O)[O-])CC1 ZINC000737786809 602748066 /nfs/dbraw/zinc/74/80/66/602748066.db2.gz KENNZMAHIUSTNO-UHFFFAOYSA-N -2 0 320.411 1.259 20 0 DDADRL O=C([O-])NC[C@@H](NC(=O)c1c([O-])cc(F)cc1F)C1CC1 ZINC000740611932 603104610 /nfs/dbraw/zinc/10/46/10/603104610.db2.gz NENOOYLMMRVUKX-SECBINFHSA-N -2 0 300.261 1.446 20 0 DDADRL CC(C)(CNS(=O)(=O)c1ccc(Cl)s1)NC(=O)[O-] ZINC000824011536 603471755 /nfs/dbraw/zinc/47/17/55/603471755.db2.gz RTCLHXUZBNPVOK-UHFFFAOYSA-N -2 0 312.800 1.726 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000826727761 604256801 /nfs/dbraw/zinc/25/68/01/604256801.db2.gz HWOZTSJYNYNPBM-UWVGGRQHSA-N -2 0 308.400 1.115 20 0 DDADRL COCc1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])cc1 ZINC000833726026 605050081 /nfs/dbraw/zinc/05/00/81/605050081.db2.gz NUCYKACYPIFYMO-UHFFFAOYSA-N -2 0 322.342 1.727 20 0 DDADRL O=C([O-])NC[C@H](C(=O)[N-]OCC(F)(F)F)c1ccccc1 ZINC000832406797 605139072 /nfs/dbraw/zinc/13/90/72/605139072.db2.gz AIWJWMYKGBIITD-VIFPVBQESA-N -2 0 306.240 1.648 20 0 DDADRL C[C@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833607882 605482931 /nfs/dbraw/zinc/48/29/31/605482931.db2.gz ICPVENWASRBVFP-JGVFFNPUSA-N -2 0 317.388 1.687 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)CC2CN(C(=O)[O-])C2)cc1 ZINC000834066274 605690071 /nfs/dbraw/zinc/69/00/71/605690071.db2.gz RWEHKHQMOYIDBG-UHFFFAOYSA-N -2 0 308.290 1.088 20 0 DDADRL CC(C)(CC(=O)[O-])CC(=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000833452763 605702031 /nfs/dbraw/zinc/70/20/31/605702031.db2.gz SHOUKYLXFFSJMT-CYBMUJFWSA-N -2 0 317.349 1.296 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)o1 ZINC000834246084 606034922 /nfs/dbraw/zinc/03/49/22/606034922.db2.gz HYDXEUYGKDPZPK-JTQLQIEISA-N -2 0 322.317 1.374 20 0 DDADRL CCCN(CC(=O)[O-])C(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000833854610 606049650 /nfs/dbraw/zinc/04/96/50/606049650.db2.gz XVFGKFJTKAXPMU-LBPRGKRZSA-N -2 0 308.334 1.709 20 0 DDADRL O=C([O-])COc1cccc(NC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])c1 ZINC000834066628 606057057 /nfs/dbraw/zinc/05/70/57/606057057.db2.gz UISLDEIPZNQQQY-RYUDHWBXSA-N -2 0 322.317 1.525 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)[O-])c1 ZINC000834065392 606066069 /nfs/dbraw/zinc/06/60/69/606066069.db2.gz LSSJRYBBRMBMQD-SNVBAGLBSA-N -2 0 310.331 1.305 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)[C@@H]2CCCCN2C(=O)[O-])c1 ZINC000834066303 606066538 /nfs/dbraw/zinc/06/65/38/606066538.db2.gz RYNKXDBTFGBCOV-LBPRGKRZSA-N -2 0 306.318 1.785 20 0 DDADRL O=C([O-])[C@H](NC(=O)C1CCN(C(=O)[O-])CC1)c1ccccc1F ZINC000834014667 606068345 /nfs/dbraw/zinc/06/83/45/606068345.db2.gz MIKNEASQWVRXKP-GFCCVEGCSA-N -2 0 324.308 1.458 20 0 DDADRL O=C([O-])/C=C\c1cnc(/C=C/c2cn(CC(=O)[O-])nn2)s1 ZINC000759083158 700736640 /nfs/dbraw/zinc/73/66/40/700736640.db2.gz HLPYCCKQJIZOIQ-TZFCGSKZSA-N -2 0 306.303 1.087 20 0 DDADRL O=C([N-]C[C@@H]([N-]C(=O)C(F)(F)F)C1CCCC1)C(F)(F)F ZINC000768302975 701168182 /nfs/dbraw/zinc/16/81/82/701168182.db2.gz KQGPIUKZSDWXSS-SSDOTTSWSA-N -2 0 320.233 1.902 20 0 DDADRL CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000817880958 702507455 /nfs/dbraw/zinc/50/74/55/702507455.db2.gz IGDJKNAQYUWECC-SNVBAGLBSA-N -2 0 308.334 1.346 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C[C@H](CC1CC1)C(=O)[O-] ZINC000844821426 703075883 /nfs/dbraw/zinc/07/58/83/703075883.db2.gz ODFXYWNQAFHSKF-XPUUQOCRSA-N -2 0 303.302 1.358 20 0 DDADRL CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)C(=O)[O-] ZINC000856722844 704535281 /nfs/dbraw/zinc/53/52/81/704535281.db2.gz RPFXJZYESDWZLA-VIFPVBQESA-N -2 0 321.738 1.180 20 0 DDADRL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)c1 ZINC000863952218 706044758 /nfs/dbraw/zinc/04/47/58/706044758.db2.gz ONHDVKOLEJUWAT-GFCCVEGCSA-N -2 0 313.375 1.465 20 0 DDADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)CCC1 ZINC000863953001 706044941 /nfs/dbraw/zinc/04/49/41/706044941.db2.gz LTWYCAMJYUDGDI-UHFFFAOYSA-N -2 0 315.322 1.027 20 0 DDADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000863952504 706044953 /nfs/dbraw/zinc/04/49/53/706044953.db2.gz ZBLALBAZMOLAPB-ZDUSSCGKSA-N -2 0 315.322 1.132 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])c(Cl)cc1F ZINC000863957074 706046150 /nfs/dbraw/zinc/04/61/50/706046150.db2.gz XNONHCOMRGLQGU-UHFFFAOYSA-N -2 0 323.729 1.457 20 0 DDADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)CCC1CCCC1 ZINC000863962919 706047293 /nfs/dbraw/zinc/04/72/93/706047293.db2.gz BMHJVSMXIGOIFC-AWEZNQCLSA-N -2 0 317.407 1.514 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000871770886 707195422 /nfs/dbraw/zinc/19/54/22/707195422.db2.gz OSFBBPIEYSGTAM-LURQLKTLSA-N -2 0 317.329 1.746 20 0 DDADRL O=C([O-])CSCCNC(=O)CCCc1ccc(O)c(F)c1 ZINC000909228414 712968176 /nfs/dbraw/zinc/96/81/76/712968176.db2.gz GPYIAFBLIYRXPJ-UHFFFAOYSA-N -2 0 315.366 1.788 20 0 DDADRL Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1F ZINC000910185412 709801954 /nfs/dbraw/zinc/80/19/54/709801954.db2.gz JDQBIASMXRJAPD-ZYHUDNBSSA-N -2 0 309.293 1.524 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)/C=C/C2CCCCC2)C1 ZINC000910192447 709805927 /nfs/dbraw/zinc/80/59/27/709805927.db2.gz QHWSBLNGKSPVQS-RXFWDACYSA-N -2 0 309.362 1.899 20 0 DDADRL Cn1[n-]nnc1=NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000910422189 709933126 /nfs/dbraw/zinc/93/31/26/709933126.db2.gz LYVLFGXLXJKMLT-CYBMUJFWSA-N -2 0 311.345 1.141 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)c([O-])cc2F)O1 ZINC000911421815 710791712 /nfs/dbraw/zinc/79/17/12/710791712.db2.gz RQPUMNKVLQHQKP-ZJUUUORDSA-N -2 0 303.673 1.755 20 0 DDADRL Cc1cccc(CO[N-]C(=O)[C@@H]2CC[C@H](CCC(=O)[O-])O2)n1 ZINC000911825155 711016137 /nfs/dbraw/zinc/01/61/37/711016137.db2.gz XEAZSEQWPNLJOD-OLZOCXBDSA-N -2 0 308.334 1.350 20 0 DDADRL C[C@H]1CSCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906875699 712426252 /nfs/dbraw/zinc/42/62/52/712426252.db2.gz SNOWDEIIWKBFLY-QMMMGPOBSA-N -2 0 317.388 1.216 20 0 DDADRL CCCN(CC(=O)[O-])C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000908949719 712894722 /nfs/dbraw/zinc/89/47/22/712894722.db2.gz IEYKPPJNCQNIKC-UHFFFAOYSA-N -2 0 321.308 1.654 20 0 DDADRL CC(C)C[C@@](C)(C[N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000926575393 715090058 /nfs/dbraw/zinc/09/00/58/715090058.db2.gz GUKKGRXVTGWCNV-SCZZXKLOSA-N -2 0 319.345 1.994 20 0 DDADRL Cc1nonc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186144123 744349882 /nfs/dbraw/zinc/34/98/82/744349882.db2.gz YSHBRCNCZUBHFX-UHFFFAOYSA-N -2 0 301.255 1.016 20 0 DDADRL Cn1cncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187548253 744578578 /nfs/dbraw/zinc/57/85/78/744578578.db2.gz NRJUVYAHWZAVDX-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL CC(=O)[C@H]1CCN(C(=O)c2ccccc2OP(=O)([O-])[O-])C1 ZINC001189886988 745042426 /nfs/dbraw/zinc/04/24/26/745042426.db2.gz KYWUWHBBRSCHDT-JTQLQIEISA-N -2 0 313.246 1.209 20 0 DDADRL Cc1nsc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1 ZINC000157291745 745179481 /nfs/dbraw/zinc/17/94/81/745179481.db2.gz XJJGWOAYXQLDSP-UHFFFAOYSA-N -2 0 313.360 1.654 20 0 DDADRL COC(=O)CCCc1ccc(NCCOP(=O)([O-])[O-])cc1 ZINC001168596281 751271208 /nfs/dbraw/zinc/27/12/08/751271208.db2.gz SNPYURAJTSWNQP-UHFFFAOYSA-N -2 0 317.278 1.704 20 0 DDADRL CN1Cc2cccc(NCCOP(=O)([O-])[O-])c2NC1=O ZINC001168596598 751273950 /nfs/dbraw/zinc/27/39/50/751273950.db2.gz VYNRBGQTNJDNLP-UHFFFAOYSA-N -2 0 301.239 1.185 20 0 DDADRL CCOC(=O)c1c(C)ccnc1NCCOP(=O)([O-])[O-] ZINC001157790581 766656350 /nfs/dbraw/zinc/65/63/50/766656350.db2.gz AHULVQYSGWVLLN-UHFFFAOYSA-N -2 0 304.239 1.088 20 0 DDADRL NC(=O)c1ccsc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236932 778087525 /nfs/dbraw/zinc/08/75/25/778087525.db2.gz QDNIBRXVYMICAP-UHFFFAOYSA-N -2 0 306.299 1.987 20 0 DDADRL O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001153083691 863699399 /nfs/dbraw/zinc/69/93/99/863699399.db2.gz NNMXLJCQJGYMFR-UHFFFAOYSA-N -2 0 319.104 1.340 20 0 DDADRL Cc1ccc(Cl)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001225206373 881725609 /nfs/dbraw/zinc/72/56/09/881725609.db2.gz NEIYTPQHYYPWQI-WRWORJQWSA-N -2 0 316.693 1.090 20 0 DDADRL CCCSc1ncnc(NCCOP(=O)([O-])[O-])c1OC ZINC001157795674 864148899 /nfs/dbraw/zinc/14/88/99/864148899.db2.gz PZRVHHAISGRSJS-UHFFFAOYSA-N -2 0 323.311 1.509 20 0 DDADRL Cc1cc(C(F)(F)NCCOP(=O)([O-])[O-])c(Cl)nn1 ZINC001157795435 864149678 /nfs/dbraw/zinc/14/96/78/864149678.db2.gz CVYZUHKETVQCRF-UHFFFAOYSA-N -2 0 317.616 1.187 20 0 DDADRL Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(Cl)c1 ZINC001225344442 881786525 /nfs/dbraw/zinc/78/65/25/881786525.db2.gz IFUXDNHTEZVHLW-RDDDGLTNSA-N -2 0 316.693 1.090 20 0 DDADRL O=C([O-])C[C@@H](C(=O)Oc1ccc2c(c1)CCCC2)[C@H](O)C(=O)[O-] ZINC001226760887 882636212 /nfs/dbraw/zinc/63/62/12/882636212.db2.gz OYKBLINJGUSHML-OCCSQVGLSA-N -2 0 322.313 1.007 20 0 DDADRL CS(=O)(=O)c1cncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242161522 891355748 /nfs/dbraw/zinc/35/57/48/891355748.db2.gz YKGVBUKSLCFYLL-UHFFFAOYSA-N -2 0 321.310 1.549 20 0 DDADRL O=C([O-])c1cnc(F)c(-c2ccc3c(c2)C(=O)[N-]S3(=O)=O)c1 ZINC001244759257 891911502 /nfs/dbraw/zinc/91/15/02/891911502.db2.gz BBXTVENSIVEQQP-UHFFFAOYSA-N -2 0 322.273 1.018 20 0 DDADRL O=c1cc(NS(=O)(=O)CCC(F)(F)F)nc(Cl)[n-]1 ZINC001259866468 898866892 /nfs/dbraw/zinc/86/68/92/898866892.db2.gz ALFURLSAFBWOSU-UHFFFAOYSA-N -2 0 305.665 1.530 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnn3cccnc23)c1 ZINC001260183240 899077455 /nfs/dbraw/zinc/07/74/55/899077455.db2.gz FVKVPYBBKCVDJH-UHFFFAOYSA-N -2 0 318.314 1.228 20 0 DDADRL Cc1noc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1C ZINC000088245277 185243588 /nfs/dbraw/zinc/24/35/88/185243588.db2.gz CSOQSTUBWFLNSC-UHFFFAOYSA-N -2 0 314.294 1.930 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nnn(C)c1C ZINC000414416779 529612060 /nfs/dbraw/zinc/61/20/60/529612060.db2.gz WWSLPAODQUTSEG-UHFFFAOYSA-N -2 0 324.362 1.185 20 0 DDADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1 ZINC000340960177 539339549 /nfs/dbraw/zinc/33/95/49/539339549.db2.gz DJRDHTXDSSVHGK-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL COc1cc(O)cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000355811053 291015688 /nfs/dbraw/zinc/01/56/88/291015688.db2.gz LVHYDSLWWVRRBP-UHFFFAOYSA-N -2 0 312.303 1.228 20 0 DDADRL O=C([O-])CSCC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000262327497 304072076 /nfs/dbraw/zinc/07/20/76/304072076.db2.gz DLURXOKPSWNLIU-UTLUCORTSA-N -2 0 301.364 1.049 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2OCO3)c[nH]1 ZINC000359848186 299550103 /nfs/dbraw/zinc/55/01/03/299550103.db2.gz HTSSTDMPZGCULN-UHFFFAOYSA-N -2 0 310.287 1.242 20 0 DDADRL O=C([O-])c1cccc([N-]S(=O)(=O)C[C@H]2CCCO2)c1O ZINC000124650022 195664339 /nfs/dbraw/zinc/66/43/39/195664339.db2.gz XSOAYNQXYXZCML-MRVPVSSYSA-N -2 0 301.320 1.011 20 0 DDADRL COCc1nc(=NC(=O)c2cc(F)c([O-])c(Cl)c2)s[n-]1 ZINC000437005204 533272567 /nfs/dbraw/zinc/27/25/67/533272567.db2.gz SHUORIZVTIDNLM-UHFFFAOYSA-N -2 0 317.729 1.857 20 0 DDADRL O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000029006783 406920580 /nfs/dbraw/zinc/92/05/80/406920580.db2.gz IJABJRBRUZXSIA-ZJUUUORDSA-N -2 0 306.274 1.906 20 0 DDADRL Cn1ccnc1-c1cc(NC(=O)c2ccc(F)cc2[O-])n[nH]1 ZINC000124197411 407350710 /nfs/dbraw/zinc/35/07/10/407350710.db2.gz AYUIMRNYUILNPT-UHFFFAOYSA-N -2 0 301.281 1.907 20 0 DDADRL Cc1cc(C(=O)N[C@H](C)CC(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000178684308 407544902 /nfs/dbraw/zinc/54/49/02/407544902.db2.gz SQCNBTKORLXBHN-SECBINFHSA-N -2 0 304.350 1.497 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)cn1 ZINC000134621894 407916802 /nfs/dbraw/zinc/91/68/02/407916802.db2.gz ZIOZRRKQHFOUNT-UHFFFAOYSA-N -2 0 323.374 1.628 20 0 DDADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000263341052 408111516 /nfs/dbraw/zinc/11/15/16/408111516.db2.gz NMLRTJNKKKMIHR-ZYGVAYEYSA-N -2 0 312.366 1.382 20 0 DDADRL Cc1c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])cnn1C ZINC000291936879 408948680 /nfs/dbraw/zinc/94/86/80/408948680.db2.gz PBVCXEPVIHLXNO-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL Cc1cc(C)c([N-]S(=O)(=O)c2ccn(C)n2)c(C(=O)[O-])c1 ZINC000340094033 410670946 /nfs/dbraw/zinc/67/09/46/410670946.db2.gz XBBWRBJJAPGHFT-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CC[C@H](CS(=O)(=O)[N-]c1cc(C(C)=O)ccc1[O-])OC ZINC000421150424 419504700 /nfs/dbraw/zinc/50/47/00/419504700.db2.gz IREDBLGKIXRCBC-LLVKDONJSA-N -2 0 301.364 1.762 20 0 DDADRL O=C(N=c1nc2n([n-]1)CCCC2)c1nn(-c2ccccc2)cc1[O-] ZINC000571997071 304500772 /nfs/dbraw/zinc/50/07/72/304500772.db2.gz QSZIGNOMNSNYRD-UHFFFAOYSA-N -2 0 324.344 1.180 20 0 DDADRL CCCc1nc(=NC(=O)NC(C)(C)CCC(=O)[O-])s[n-]1 ZINC000417789576 420479872 /nfs/dbraw/zinc/47/98/72/420479872.db2.gz HLNDHPKHHCNMRW-UHFFFAOYSA-N -2 0 300.384 1.677 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C ZINC000547558339 421343465 /nfs/dbraw/zinc/34/34/65/421343465.db2.gz XAYWYYFLSXFBFR-YUMQZZPRSA-N -2 0 319.345 1.994 20 0 DDADRL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cnn(C)c2)cc1F ZINC000547940566 421380471 /nfs/dbraw/zinc/38/04/71/421380471.db2.gz QAWPRPHZBDFFHX-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL C[C@H]1CCN(C(=O)NCc2cccc(C(=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000646162334 423375136 /nfs/dbraw/zinc/37/51/36/423375136.db2.gz UPTSBRBIKJWJOX-GXFFZTMASA-N -2 0 320.345 1.637 20 0 DDADRL CC(C)[C@H](CNC(=O)N=c1[n-]nc(C(C)(C)C)s1)C(=O)[O-] ZINC000653536686 423517834 /nfs/dbraw/zinc/51/78/34/423517834.db2.gz DTXZUHBTJFOHCS-QMMMGPOBSA-N -2 0 314.411 1.736 20 0 DDADRL CC1(C(=O)[O-])CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1 ZINC000659781349 424251355 /nfs/dbraw/zinc/25/13/55/424251355.db2.gz BOJWLFIEYYOSRM-UHFFFAOYSA-N -2 0 321.329 1.477 20 0 DDADRL CC[C@H](C[N-]S(=O)(=O)c1c(F)cccc1F)CC(=O)[O-] ZINC000147388175 281646812 /nfs/dbraw/zinc/64/68/12/281646812.db2.gz RCXOHQXUCYFNRN-QMMMGPOBSA-N -2 0 307.318 1.744 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cnn1C ZINC000362447339 300065752 /nfs/dbraw/zinc/06/57/52/300065752.db2.gz KISZVMAVQMWJOI-UHFFFAOYSA-N -2 0 301.349 1.289 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cnn1C ZINC000362446252 300065728 /nfs/dbraw/zinc/06/57/28/300065728.db2.gz HIMNWZBXCJVSJH-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL COCc1nc(=NCc2ccc(C(=O)[O-])c(OC)c2)s[n-]1 ZINC000581610397 325885683 /nfs/dbraw/zinc/88/56/83/325885683.db2.gz MKQXVILRFCYICW-UHFFFAOYSA-N -2 0 309.347 1.425 20 0 DDADRL COCCc1nc(=N[C@@H](C)c2ncc(C(=O)[O-])s2)s[n-]1 ZINC000583634302 336009085 /nfs/dbraw/zinc/00/90/85/336009085.db2.gz QOJLREPYKUUEPP-LURJTMIESA-N -2 0 314.392 1.477 20 0 DDADRL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)NCC(=O)[O-] ZINC000740003577 597026172 /nfs/dbraw/zinc/02/61/72/597026172.db2.gz ZJTACRBEUIYRLV-UHFFFAOYSA-N -2 0 322.342 1.026 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)o1 ZINC000740227665 599735293 /nfs/dbraw/zinc/73/52/93/599735293.db2.gz NZDRIPAPUQARLR-UHFFFAOYSA-N -3 0 311.271 1.477 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)o1 ZINC000037508870 599736724 /nfs/dbraw/zinc/73/67/24/599736724.db2.gz SFUSMDZUWIAIDI-UHFFFAOYSA-N -2 0 307.287 1.655 20 0 DDADRL CN(CCCC(=O)[N-]S(=O)(=O)Cc1ccccc1)C(=O)[O-] ZINC000737426956 599911813 /nfs/dbraw/zinc/91/18/13/599911813.db2.gz LSSCJIMGIAPEPM-UHFFFAOYSA-N -2 0 314.363 1.023 20 0 DDADRL CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736355237 600241846 /nfs/dbraw/zinc/24/18/46/600241846.db2.gz MYRPNTDGFPTWGB-ZETCQYMHSA-N -2 0 305.377 1.543 20 0 DDADRL COc1cc(C=CC(=O)[O-])ccc1OS(=O)(=O)c1cnc[n-]1 ZINC000737879033 600401750 /nfs/dbraw/zinc/40/17/50/600401750.db2.gz OEYYDXMRFBWWGJ-HWKANZROSA-N -2 0 324.314 1.284 20 0 DDADRL CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736905493 600459279 /nfs/dbraw/zinc/45/92/79/600459279.db2.gz SSFBLTTXEAITLW-GFCCVEGCSA-N -2 0 319.423 1.904 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nnc3ccccn32)c1 ZINC000738688117 600520551 /nfs/dbraw/zinc/52/05/51/600520551.db2.gz DWWVNKZJGNKNNO-UHFFFAOYSA-N -2 0 318.314 1.228 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)o1 ZINC000833324242 600691197 /nfs/dbraw/zinc/69/11/97/600691197.db2.gz PXSGFVCOLFPKJL-UHFFFAOYSA-N -2 0 311.319 1.385 20 0 DDADRL O=C([O-])c1ccc(CCC(=O)[N-]S(=O)(=O)CCCF)cc1 ZINC000833101838 601193185 /nfs/dbraw/zinc/19/31/85/601193185.db2.gz FQXYZFLADJCWQF-UHFFFAOYSA-N -2 0 317.338 1.123 20 0 DDADRL CC(C)N(CCC(=O)[O-])C(=O)CSc1n[n-]c(=S)s1 ZINC000826940073 601200206 /nfs/dbraw/zinc/20/02/06/601200206.db2.gz FDYMFCJMYUCBAT-UHFFFAOYSA-N -2 0 321.449 1.631 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2n[nH]c3ccccc32)cc1C(=O)[O-] ZINC000833055175 601201342 /nfs/dbraw/zinc/20/13/42/601201342.db2.gz AZLFULSRNHORMN-UHFFFAOYSA-N -2 0 320.330 1.400 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000828858947 601239866 /nfs/dbraw/zinc/23/98/66/601239866.db2.gz IPGQSWJVCMPBFY-NWDGAFQWSA-N -2 0 319.423 1.760 20 0 DDADRL CCC1(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)CCC1 ZINC000829033770 601363747 /nfs/dbraw/zinc/36/37/47/601363747.db2.gz WRLUNTODKCGBAY-UHFFFAOYSA-N -2 0 311.359 1.770 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]CC(F)F)c(F)cc1F ZINC000833303754 601388842 /nfs/dbraw/zinc/38/88/42/601388842.db2.gz ZQRJDHILFXZXAF-UHFFFAOYSA-N -2 0 301.217 1.206 20 0 DDADRL COc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)c1 ZINC000832572624 601783303 /nfs/dbraw/zinc/78/33/03/601783303.db2.gz GKOPQLHOSHBFPD-UHFFFAOYSA-N -2 0 310.331 1.533 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000738620894 601950826 /nfs/dbraw/zinc/95/08/26/601950826.db2.gz AHOWJHHSFJWZSI-STQMWFEESA-N -2 0 303.314 1.919 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC23CCC3)s1 ZINC000833324617 601973114 /nfs/dbraw/zinc/97/31/14/601973114.db2.gz IMQXGZTZCJBFHF-ZETCQYMHSA-N -2 0 315.372 1.441 20 0 DDADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)cc1 ZINC000833267212 602306526 /nfs/dbraw/zinc/30/65/26/602306526.db2.gz QLIDQEIPDUMDPX-UHFFFAOYSA-N -2 0 321.358 1.715 20 0 DDADRL CC(C)[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1F)NC(=O)[O-] ZINC000738793054 602786612 /nfs/dbraw/zinc/78/66/12/602786612.db2.gz JRCMJEIDUGJYII-SNVBAGLBSA-N -2 0 322.333 1.535 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000826571475 603446778 /nfs/dbraw/zinc/44/67/78/603446778.db2.gz IVRSSJTYQFGPKO-MNOVXSKESA-N -2 0 320.411 1.305 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000826576702 603448096 /nfs/dbraw/zinc/44/80/96/603448096.db2.gz YQWYOYMTAQDYGA-UHFFFAOYSA-N -2 0 318.351 1.295 20 0 DDADRL CC(C)(CNS(=O)(=O)c1ccc(Cl)cc1F)NC(=O)[O-] ZINC000824011651 603471860 /nfs/dbraw/zinc/47/18/60/603471860.db2.gz XQYRHJBXJJPTPO-UHFFFAOYSA-N -2 0 324.761 1.804 20 0 DDADRL O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)c1cc(F)ccc1O)C2 ZINC000831583665 603475632 /nfs/dbraw/zinc/47/56/32/603475632.db2.gz DIOWYNQIBWYBOS-FGWVZKOKSA-N -2 0 308.309 1.935 20 0 DDADRL CC(C)(C)CS(=O)(=O)[N-]C(=O)C1(CNC(=O)[O-])CCCC1 ZINC000823766245 603787123 /nfs/dbraw/zinc/78/71/23/603787123.db2.gz KNADOWYMEFFIEI-UHFFFAOYSA-N -2 0 320.411 1.307 20 0 DDADRL O=C([O-])N1CCc2c1cccc2[N-]S(=O)(=O)c1cn[nH]c1 ZINC000832079969 604015264 /nfs/dbraw/zinc/01/52/64/604015264.db2.gz PXTWJIPOHGQWDE-UHFFFAOYSA-N -2 0 308.319 1.251 20 0 DDADRL O=C([O-])[C@]1(F)CCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000833354122 604298371 /nfs/dbraw/zinc/29/83/71/604298371.db2.gz IYYYCFDJSYNHLV-LBPRGKRZSA-N -2 0 305.664 1.824 20 0 DDADRL Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000738784231 604373852 /nfs/dbraw/zinc/37/38/52/604373852.db2.gz BHQANIXNUPZARA-NSHDSACASA-N -2 0 314.363 1.092 20 0 DDADRL CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000833455380 605106272 /nfs/dbraw/zinc/10/62/72/605106272.db2.gz BKASRVMKXPZVKX-UHFFFAOYSA-N -2 0 319.317 1.859 20 0 DDADRL CC1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000833557562 605162009 /nfs/dbraw/zinc/16/20/09/605162009.db2.gz ZQKUQMKUBZPCEI-LLVKDONJSA-N -2 0 311.359 1.377 20 0 DDADRL CCn1cc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])cn1 ZINC000833681503 605185325 /nfs/dbraw/zinc/18/53/25/605185325.db2.gz AUSLEZNHPWYLGM-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)[N-]OCc1ccccc1 ZINC000831517346 605248922 /nfs/dbraw/zinc/24/89/22/605248922.db2.gz QHJRUUDQIWIABJ-CYBMUJFWSA-N -2 0 308.334 1.393 20 0 DDADRL O=C([O-])C[C@H]1CCCCN1C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000834061027 605688902 /nfs/dbraw/zinc/68/89/02/605688902.db2.gz NEPDKYBQQBDPDN-CYBMUJFWSA-N -2 0 320.345 1.924 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)N[C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000834163292 606049167 /nfs/dbraw/zinc/04/91/67/606049167.db2.gz JUTZFIRFZSYMMJ-IJLUTSLNSA-N -2 0 306.318 1.365 20 0 DDADRL O=C([O-])Cc1ccccc1NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000834067461 606052620 /nfs/dbraw/zinc/05/26/20/606052620.db2.gz DYEVWENTRJYNTN-QWRGUYRKSA-N -2 0 306.318 1.689 20 0 DDADRL Cc1oc(CN(C)C(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])cc1C(=O)[O-] ZINC000833934233 606055064 /nfs/dbraw/zinc/05/50/64/606055064.db2.gz CQEJATJBLHVWHR-JQWIXIFHSA-N -2 0 324.333 1.681 20 0 DDADRL Cc1oc(CN(C)C(=O)[C@@H]2CCCN2C(=O)[O-])cc1C(=O)[O-] ZINC000833934143 606055396 /nfs/dbraw/zinc/05/53/96/606055396.db2.gz AEJBXMYYQMTSAZ-NSHDSACASA-N -2 0 310.306 1.387 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)N[C@H](C(=O)[O-])c2ccccc2F)C1 ZINC000834166973 606068526 /nfs/dbraw/zinc/06/85/26/606068526.db2.gz ZAWABPVNDOVIFD-LNLATYFQSA-N -2 0 324.308 1.504 20 0 DDADRL Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000193495192 697669610 /nfs/dbraw/zinc/66/96/10/697669610.db2.gz OIPLCEDWJZKZJE-UHFFFAOYSA-N -2 0 315.738 1.871 20 0 DDADRL CCCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)cc1 ZINC000776427013 698105891 /nfs/dbraw/zinc/10/58/91/698105891.db2.gz MWVUYGQRSVZBHJ-UHFFFAOYSA-N -2 0 323.374 1.872 20 0 DDADRL CC(C)C[C@H](C)S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000776718100 698133108 /nfs/dbraw/zinc/13/31/08/698133108.db2.gz MYGQQIYLGATWGD-GWCFXTLKSA-N -2 0 321.395 1.002 20 0 DDADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H](C)CC(=O)[O-])n1 ZINC000842697581 702758579 /nfs/dbraw/zinc/75/85/79/702758579.db2.gz YTSGEMVFJULWRR-JTQLQIEISA-N -2 0 317.345 1.733 20 0 DDADRL Cc1cc(C(=O)NOCC2CCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000856349407 704523938 /nfs/dbraw/zinc/52/39/38/704523938.db2.gz NEDGNLMZKNBBIY-UHFFFAOYSA-N -2 0 304.306 1.206 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC=CC1 ZINC000863954957 706045747 /nfs/dbraw/zinc/04/57/47/706045747.db2.gz UKIOVJQDEYUEGN-UHFFFAOYSA-N -2 0 303.380 1.290 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000863954615 706045794 /nfs/dbraw/zinc/04/57/94/706045794.db2.gz GXMRDCOOKMXGBO-SNVBAGLBSA-N -2 0 307.412 1.616 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])c(C)o1 ZINC000863957751 706046577 /nfs/dbraw/zinc/04/65/77/706046577.db2.gz GRKCYLIADFNBCM-UHFFFAOYSA-N -2 0 303.336 1.346 20 0 DDADRL O=C([O-])CCC(=O)[N-]S(=O)(=O)[C@H]1CCCc2ccccc21 ZINC000863963870 706047259 /nfs/dbraw/zinc/04/72/59/706047259.db2.gz JOABVFXUVONVSJ-LBPRGKRZSA-N -2 0 311.359 1.375 20 0 DDADRL C[C@@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)C(F)(F)F ZINC000871963558 707257041 /nfs/dbraw/zinc/25/70/41/707257041.db2.gz PDUKOSGMHBEEGA-RXMQYKEDSA-N -2 0 315.244 1.753 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccn3ccccc23)C1 ZINC000910181205 709800247 /nfs/dbraw/zinc/80/02/47/709800247.db2.gz ABUAEQXHMFOVSF-ZWNOBZJWSA-N -2 0 316.313 1.329 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)/C=C\c2cccs2)C1 ZINC000910182095 709801013 /nfs/dbraw/zinc/80/10/13/709801013.db2.gz HQVYEWXCYXTPEL-XZDJDOCXSA-N -2 0 309.343 1.538 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=NC[C@H](CC2CC2)C(=O)[O-])cc1 ZINC000910421427 709932844 /nfs/dbraw/zinc/93/28/44/709932844.db2.gz FVJRVKZWAQPKBM-LBPRGKRZSA-N -2 0 301.350 1.305 20 0 DDADRL O=C([O-])C[C@H]1CCCN(C(=O)C2(C(=O)[O-])CCSCC2)C1 ZINC000901454882 710045349 /nfs/dbraw/zinc/04/53/49/710045349.db2.gz YULHGJKEKVLGPM-SNVBAGLBSA-N -2 0 315.391 1.298 20 0 DDADRL C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000901658642 710111415 /nfs/dbraw/zinc/11/14/15/710111415.db2.gz VSEJRAYQMSOTNH-ZYHUDNBSSA-N -2 0 305.330 1.639 20 0 DDADRL COCC1(S(=O)(=O)[N-]c2cc(C(C)=O)cc(F)c2[O-])CC1 ZINC000901952740 710183346 /nfs/dbraw/zinc/18/33/46/710183346.db2.gz NRENCTIXIXPJEY-UHFFFAOYSA-N -2 0 317.338 1.655 20 0 DDADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)/C=C/c2ccccc2)CCC1 ZINC000203942407 739248381 /nfs/dbraw/zinc/24/83/81/739248381.db2.gz WJBWCZVKKBMMBD-JXMROGBWSA-N -2 0 309.343 1.358 20 0 DDADRL O=C([N-]n1ccccc1=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001183085993 743772085 /nfs/dbraw/zinc/77/20/85/743772085.db2.gz VUMIEGPETKSETG-UHFFFAOYSA-N -2 0 314.276 1.263 20 0 DDADRL Cn1cnc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC001188272577 744684499 /nfs/dbraw/zinc/68/44/99/744684499.db2.gz GILJWAUDJFFJBG-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL O=C(NCCCC[P@](=O)([O-])O)c1c[nH]nc1-c1ccccc1 ZINC001189697464 744956451 /nfs/dbraw/zinc/95/64/51/744956451.db2.gz BQBFUMDRAKPYKQ-UHFFFAOYSA-N -2 0 323.289 1.764 20 0 DDADRL Cc1c(NC(=O)c2ccccc2OP(=O)([O-])[O-])cnn1C ZINC001189860726 745003311 /nfs/dbraw/zinc/00/33/11/745003311.db2.gz MPDUUBPTNOKQMY-UHFFFAOYSA-N -2 0 311.234 1.452 20 0 DDADRL Cc1cccnc1CNC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189861713 745004749 /nfs/dbraw/zinc/00/47/49/745004749.db2.gz YRNDGFJBLVKAIV-UHFFFAOYSA-N -2 0 322.257 1.792 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)N[C@@H]2[CH]CC=C2)c(F)cc1F ZINC001195267432 746560175 /nfs/dbraw/zinc/56/01/75/746560175.db2.gz BQMSIXPBQOYUHI-ZETCQYMHSA-N -2 0 302.278 1.474 20 0 DDADRL O=C([O-])c1ccc(NC(=S)Nc2c[nH]c(=O)[nH]c2=O)cc1 ZINC001197077361 747056926 /nfs/dbraw/zinc/05/69/26/747056926.db2.gz RZFRCVIWLCMXSB-UHFFFAOYSA-N -2 0 306.303 1.395 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ncc(F)cc1O ZINC001198746576 747588725 /nfs/dbraw/zinc/58/87/25/747588725.db2.gz FQKKPHYVXHCQRR-UHFFFAOYSA-N -2 0 312.278 1.425 20 0 DDADRL CC(C)(C)c1cc(Cl)nnc1NCCOP(=O)([O-])[O-] ZINC001168586324 751178065 /nfs/dbraw/zinc/17/80/65/751178065.db2.gz HJRKBKKXERYYJM-UHFFFAOYSA-N -2 0 309.690 1.949 20 0 DDADRL CCc1cc(NCCOP(=O)([O-])[O-])nc(-c2ccncc2)n1 ZINC001168589670 751202596 /nfs/dbraw/zinc/20/25/96/751202596.db2.gz LTNCZQOZJBQIBQ-UHFFFAOYSA-N -2 0 324.277 1.044 20 0 DDADRL Cc1nc(NCCOP(=O)([O-])[O-])ncc1Br ZINC001168591661 751220435 /nfs/dbraw/zinc/22/04/35/751220435.db2.gz VJWGUVFCZBTHNG-UHFFFAOYSA-N -2 0 312.060 1.069 20 0 DDADRL Cc1c2cc(N)cnc2nn1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176239053 778090247 /nfs/dbraw/zinc/09/02/47/778090247.db2.gz NTABKJNEQBGSBF-UHFFFAOYSA-N -2 0 312.285 1.708 20 0 DDADRL COCCn1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001176239007 778090361 /nfs/dbraw/zinc/09/03/61/778090361.db2.gz NMASTSPGVUYOMP-UHFFFAOYSA-N -2 0 305.290 1.670 20 0 DDADRL Nc1ccc2c(=O)[nH]n(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2c1 ZINC001176244863 778093600 /nfs/dbraw/zinc/09/36/00/778093600.db2.gz RIGSHPIINYJBAJ-UHFFFAOYSA-N -2 0 313.269 1.710 20 0 DDADRL CCCc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1 ZINC001227180708 843368529 /nfs/dbraw/zinc/36/85/29/843368529.db2.gz YKRJFDJAJJZXTJ-LLVKDONJSA-N -2 0 304.235 1.015 20 0 DDADRL O=C(Cc1csc2ccccc12)NCCOP(=O)([O-])[O-] ZINC001142505498 861168536 /nfs/dbraw/zinc/16/85/36/861168536.db2.gz LQMSLXILTYWOLL-UHFFFAOYSA-N -2 0 315.287 1.669 20 0 DDADRL O=P([O-])([O-])OCCNc1ccc2c(Cl)ccnc2n1 ZINC001157791774 864145295 /nfs/dbraw/zinc/14/52/95/864145295.db2.gz UERUPBQGHVUXLL-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL Cc1cc(C)c(CNc2ccc(P(=O)([O-])[O-])cc2)c(=O)[nH]1 ZINC001162609963 867676624 /nfs/dbraw/zinc/67/66/24/867676624.db2.gz AKNSIVPPGKTSNC-UHFFFAOYSA-N -2 0 308.274 1.819 20 0 DDADRL CCc1cccc(CC)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001226176900 882253851 /nfs/dbraw/zinc/25/38/51/882253851.db2.gz HOQFVHZKSQXJQR-YPMHNXCESA-N -2 0 324.329 1.253 20 0 DDADRL O=P([O-])([O-])c1ccc(NCc2ccc3nonc3c2)cc1 ZINC001164353283 869145739 /nfs/dbraw/zinc/14/57/39/869145739.db2.gz RRCRVBXOPSOXHJ-UHFFFAOYSA-N -2 0 305.230 1.638 20 0 DDADRL CCCc1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227171744 882891323 /nfs/dbraw/zinc/89/13/23/882891323.db2.gz GLGLENZEXVUNMH-ZWNOBZJWSA-N -2 0 310.302 1.081 20 0 DDADRL CC(C)(C)c1ccccc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001227473212 883034452 /nfs/dbraw/zinc/03/44/52/883034452.db2.gz WJSIOMHMWUWHAW-SNVBAGLBSA-N -2 0 318.262 1.360 20 0 DDADRL CCCCc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001227620595 883108215 /nfs/dbraw/zinc/10/82/15/883108215.db2.gz MOQMHDZCYKNITG-GXTWGEPZSA-N -2 0 324.329 1.471 20 0 DDADRL CC(C)(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1ccccc1 ZINC001223956930 881162913 /nfs/dbraw/zinc/16/29/13/881162913.db2.gz WRIBVFPRKOEDLH-ZYHUDNBSSA-N -2 0 310.302 1.001 20 0 DDADRL CCOC(=O)C1CC(Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234332719 887871920 /nfs/dbraw/zinc/87/19/20/887871920.db2.gz RETXMXDFRNZVNZ-UHFFFAOYSA-N -2 0 316.246 1.879 20 0 DDADRL COc1cc(-c2cccc(S(=O)(=O)[O-])n2)ccc1C(=O)[O-] ZINC001240743746 891029992 /nfs/dbraw/zinc/02/99/92/891029992.db2.gz ZTWLTGKPQPMVOE-UHFFFAOYSA-N -2 0 309.299 1.702 20 0 DDADRL CONC(=O)c1cncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242163779 891357523 /nfs/dbraw/zinc/35/75/23/891357523.db2.gz LDEJWFHGRKKBKQ-UHFFFAOYSA-N -2 0 316.269 1.436 20 0 DDADRL O=C(C1CC1)N1CC=C(c2ccc(P(=O)([O-])[O-])cc2)CC1 ZINC001243030510 891588497 /nfs/dbraw/zinc/58/84/97/891588497.db2.gz PRCYFLDCXLVFJL-UHFFFAOYSA-N -2 0 307.286 1.515 20 0 DDADRL Cc1cccc(S(=O)(=O)Nc2ccc(C(N)=O)c(O)c2)c1 ZINC001256958411 897644462 /nfs/dbraw/zinc/64/44/62/897644462.db2.gz HXKNWLDDSFUZPA-UHFFFAOYSA-N -2 0 306.343 1.600 20 0 DDADRL COc1ccncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260221362 899094785 /nfs/dbraw/zinc/09/47/85/899094785.db2.gz GXMMGBCMCGPZJS-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000349109550 283848012 /nfs/dbraw/zinc/84/80/12/283848012.db2.gz QIYAKJVZDSDABS-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000275305263 212261279 /nfs/dbraw/zinc/26/12/79/212261279.db2.gz QVJHNJBAPIWWFW-SSDOTTSWSA-N -2 0 315.244 1.352 20 0 DDADRL O=C([O-])CC1(NS(=O)(=O)c2cc(F)ccc2F)CCC1 ZINC000094291270 193356374 /nfs/dbraw/zinc/35/63/74/193356374.db2.gz REHZVTTUILNHEJ-UHFFFAOYSA-N -2 0 305.302 1.641 20 0 DDADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000062947022 184261668 /nfs/dbraw/zinc/26/16/68/184261668.db2.gz AOHJRRWHAKMSMG-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL CO[C@H](C)c1nc(=NC(=O)c2cc(F)c([O-])c(F)c2)s[n-]1 ZINC000436733082 533119339 /nfs/dbraw/zinc/11/93/39/533119339.db2.gz WFINLZUGXXUQSG-RXMQYKEDSA-N -2 0 315.301 1.904 20 0 DDADRL O=C(CSc1n[n-]c(=S)s1)[N-]OC[C@@H]1CCOC1 ZINC000276439021 408858441 /nfs/dbraw/zinc/85/84/41/408858441.db2.gz KZAVYSOFBCFWHI-ZCFIWIBFSA-N -2 0 307.422 1.003 20 0 DDADRL CC[C@@H](C)CONC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000293883954 409200406 /nfs/dbraw/zinc/20/04/06/409200406.db2.gz ZGBLXKVPPWUEHL-SSDOTTSWSA-N -2 0 306.322 1.452 20 0 DDADRL COc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cn1 ZINC000315600986 164020140 /nfs/dbraw/zinc/02/01/40/164020140.db2.gz TWFWYICHEIVVNT-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL CC1(C(=O)[O-])CCN(C(=O)N=c2[n-]nc(C(F)F)s2)CC1 ZINC000647694644 423002051 /nfs/dbraw/zinc/00/20/51/423002051.db2.gz IDDZDJVATUYGCS-UHFFFAOYSA-N -2 0 320.321 1.616 20 0 DDADRL CCC(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@H](C)OC)c1 ZINC000436600905 420344038 /nfs/dbraw/zinc/34/40/38/420344038.db2.gz ACJLHPVJZPWAQM-VIFPVBQESA-N -2 0 301.364 1.762 20 0 DDADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000436893943 420381744 /nfs/dbraw/zinc/38/17/44/420381744.db2.gz POCHNIACBJXNDA-UHFFFAOYSA-N -2 0 319.338 1.842 20 0 DDADRL C[C@H](CC(C)(C)[N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000547639663 421348494 /nfs/dbraw/zinc/34/84/94/421348494.db2.gz NVUIRRKCMIDTIH-RNFRBKRXSA-N -2 0 305.318 1.746 20 0 DDADRL CCC1(NS(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CCOCC1 ZINC000563069488 421450348 /nfs/dbraw/zinc/45/03/48/421450348.db2.gz KMVSRDPNJMXJRR-UHFFFAOYSA-N -2 0 317.363 1.524 20 0 DDADRL Cc1[nH][nH]c(=O)c1CCN=c1nc(-c2ccccc2C)[n-]s1 ZINC000527893276 421452502 /nfs/dbraw/zinc/45/25/02/421452502.db2.gz NRUYOZYIPSNHMS-LBPRGKRZSA-N -2 0 315.402 1.859 20 0 DDADRL Cn1ncc([N-]S(=O)(=O)c2ccc(Cl)s2)c1C(=O)[O-] ZINC000538741950 421741865 /nfs/dbraw/zinc/74/18/65/421741865.db2.gz AAYYENZQUPRRQX-UHFFFAOYSA-N -2 0 321.767 1.634 20 0 DDADRL O=C(c1c([O-])cccc1F)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000581728519 422037792 /nfs/dbraw/zinc/03/77/92/422037792.db2.gz LUUPIAKXCMPTCE-UHFFFAOYSA-N -2 0 306.297 1.375 20 0 DDADRL CC(C)C[C@@H](CNC(=O)NCC1(C(=O)[O-])CCC1)C(=O)[O-] ZINC000659408610 423808895 /nfs/dbraw/zinc/80/88/95/423808895.db2.gz AWNGPDXDUGIFPD-JTQLQIEISA-N -2 0 300.355 1.287 20 0 DDADRL C[C@@H]1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC000663058607 484634286 /nfs/dbraw/zinc/63/42/86/484634286.db2.gz VZWKZWWZLLDQEU-MFKMUULPSA-N -2 0 321.329 1.333 20 0 DDADRL O=C([O-])COc1ccc(C(=O)NC2(CC(=O)[O-])CCC2)cc1 ZINC000663120719 484684359 /nfs/dbraw/zinc/68/43/59/484684359.db2.gz RLOJZDMLTUZTSZ-UHFFFAOYSA-N -2 0 307.302 1.277 20 0 DDADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000229620267 526505473 /nfs/dbraw/zinc/50/54/73/526505473.db2.gz GUBAMPDDBPQVQE-UHFFFAOYSA-N -2 0 313.310 1.665 20 0 DDADRL CC(C)C[C@H](CNC(=O)N=c1[n-]nc(C(F)F)s1)C(=O)[O-] ZINC000424467582 528524380 /nfs/dbraw/zinc/52/43/80/528524380.db2.gz HUKHTMBIMWLSFX-ZCFIWIBFSA-N -2 0 322.337 1.766 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCSC2)s1 ZINC000833324324 602348303 /nfs/dbraw/zinc/34/83/03/602348303.db2.gz CPPIIURVYQTUGI-LURJTMIESA-N -2 0 321.401 1.004 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000821552126 598181602 /nfs/dbraw/zinc/18/16/02/598181602.db2.gz PSSIECOOMUXDPO-STQMWFEESA-N -2 0 303.314 1.668 20 0 DDADRL CC[C@@H](NC(=O)c1nn(-c2ccc(OC)cc2)cc1[O-])C(=O)[O-] ZINC000820418737 598220754 /nfs/dbraw/zinc/22/07/54/598220754.db2.gz CZUZKOZIDDYXEJ-LLVKDONJSA-N -2 0 319.317 1.180 20 0 DDADRL CC1=C(C(=O)[O-])[C@@H](c2cccc(OCCC(=O)[O-])c2)NC(=O)N1 ZINC000736752522 599987015 /nfs/dbraw/zinc/98/70/15/599987015.db2.gz WBCZMXSZLBUAKH-CYBMUJFWSA-N -2 0 320.301 1.253 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cn1 ZINC000739036099 600101007 /nfs/dbraw/zinc/10/10/07/600101007.db2.gz FHKNOGQIBRPTLR-UHFFFAOYSA-N -2 0 314.298 1.450 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)/C=C\C1CCCCC1 ZINC000739695709 600473254 /nfs/dbraw/zinc/47/32/54/600473254.db2.gz LLPGVPKMHDSJQB-HJWRWDBZSA-N -2 0 303.380 1.434 20 0 DDADRL O=C([O-])CCCc1nnc(NC(=O)c2ncccc2[O-])s1 ZINC000739712419 600602658 /nfs/dbraw/zinc/60/26/58/600602658.db2.gz UQXHANJSSXWTMM-UHFFFAOYSA-N -2 0 308.319 1.298 20 0 DDADRL Cc1[nH]c(C([O-])=CS(=O)(=O)[C@@H](C)C(C)C)c(C)c1C(=O)[O-] ZINC000832843739 600832285 /nfs/dbraw/zinc/83/22/85/600832285.db2.gz QCKPMITXFRKERJ-JTQLQIEISA-N -2 0 315.391 1.972 20 0 DDADRL CCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000829208577 600943410 /nfs/dbraw/zinc/94/34/10/600943410.db2.gz MGXZGOODIQQUFR-SNVBAGLBSA-N -2 0 313.375 1.767 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)C1CCCCCCC1 ZINC000833228573 600947461 /nfs/dbraw/zinc/94/74/61/600947461.db2.gz RIGNAQTYWJVMJS-UHFFFAOYSA-N -2 0 305.396 1.658 20 0 DDADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1nccs1 ZINC000831950806 601200861 /nfs/dbraw/zinc/20/08/61/601200861.db2.gz XARVWMDDPQYHTR-UHFFFAOYSA-N -2 0 320.373 1.712 20 0 DDADRL COc1ccccc1S(=O)(=O)[N-]c1csnc1C(=O)[O-] ZINC000832633899 601602824 /nfs/dbraw/zinc/60/28/24/601602824.db2.gz ZRQBMBAVJPLVAN-UHFFFAOYSA-N -2 0 314.344 1.651 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1C(=O)[O-] ZINC000833053480 601785262 /nfs/dbraw/zinc/78/52/62/601785262.db2.gz VRIKIGJKIUUDDU-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL O=C([O-])NC[C@H](C(=O)[N-]O[C@@H]1CCCCO1)c1ccccc1 ZINC000832407112 602786294 /nfs/dbraw/zinc/78/62/94/602786294.db2.gz FWYLQAFHBDDHJW-QWHCGFSZSA-N -2 0 308.334 1.612 20 0 DDADRL CC(C)(C)CS(=O)(=O)[N-]C(=O)CCC(C)(C)NC(=O)[O-] ZINC000738697198 602928370 /nfs/dbraw/zinc/92/83/70/602928370.db2.gz BLBAXDCEJCBTQW-UHFFFAOYSA-N -2 0 308.400 1.305 20 0 DDADRL C[C@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CCN1C(=O)[O-] ZINC000739186214 603352280 /nfs/dbraw/zinc/35/22/80/603352280.db2.gz GYURTRBEWRPXJN-QMMMGPOBSA-N -2 0 308.363 1.581 20 0 DDADRL C[C@H](CCNC(=O)c1nn(-c2ccccc2)cc1[O-])NC(=O)[O-] ZINC000824802593 603543020 /nfs/dbraw/zinc/54/30/20/603543020.db2.gz MBWYNFVBAROHKM-SNVBAGLBSA-N -2 0 318.333 1.354 20 0 DDADRL CC1(C)CN(C(=O)[O-])CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000825729207 603913292 /nfs/dbraw/zinc/91/32/92/603913292.db2.gz QDVIEJSFNGDOBA-UHFFFAOYSA-N -2 0 322.390 1.971 20 0 DDADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)c2ccsc2)c1 ZINC000821549480 604412234 /nfs/dbraw/zinc/41/22/34/604412234.db2.gz HTRUCXJDNJXLMR-UHFFFAOYSA-N -2 0 311.340 1.565 20 0 DDADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833730814 604686568 /nfs/dbraw/zinc/68/65/68/604686568.db2.gz FMPUMOYALODFMV-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CCNC(=O)[O-] ZINC000824410814 605160659 /nfs/dbraw/zinc/16/06/59/605160659.db2.gz DREJDVVTCABIKI-UHFFFAOYSA-N -2 0 310.306 1.768 20 0 DDADRL CC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000827524062 605171355 /nfs/dbraw/zinc/17/13/55/605171355.db2.gz CJAZHKRJLQKAIQ-VIFPVBQESA-N -2 0 320.754 1.191 20 0 DDADRL CCC[C@H](C)CC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000826727203 605266988 /nfs/dbraw/zinc/26/69/88/605266988.db2.gz CTNXBDNFBPUUTQ-UWVGGRQHSA-N -2 0 306.384 1.011 20 0 DDADRL C[C@@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000825874024 605283266 /nfs/dbraw/zinc/28/32/66/605283266.db2.gz YOKSKRHLIXFSMQ-GMTAPVOTSA-N -2 0 318.395 1.011 20 0 DDADRL CC(C)(C)c1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)no1 ZINC000833450785 605584526 /nfs/dbraw/zinc/58/45/26/605584526.db2.gz JFLICGGVYOIHJK-UHFFFAOYSA-N -2 0 315.307 1.459 20 0 DDADRL CC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000833637588 605679963 /nfs/dbraw/zinc/67/99/63/605679963.db2.gz FXFMLHYQWACRTD-UWVGGRQHSA-N -2 0 313.375 1.872 20 0 DDADRL O=C([O-])C[C@@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])c1ccccc1 ZINC000834059284 606029397 /nfs/dbraw/zinc/02/93/97/606029397.db2.gz AQJUNJMODNLOTF-CHWSQXEVSA-N -2 0 320.345 1.851 20 0 DDADRL O=C([O-])N[C@H]1CC[C@H](C(=O)NCCc2ccc(C(=O)[O-])cc2)C1 ZINC000834168799 606031462 /nfs/dbraw/zinc/03/14/62/606031462.db2.gz ICUFLYUJTJDOBX-STQMWFEESA-N -2 0 320.345 1.480 20 0 DDADRL CC(C)[C@@H](NC(=O)C[C@@H](NC(=O)[O-])c1ccccc1)C(=O)[O-] ZINC000833792681 606032227 /nfs/dbraw/zinc/03/22/27/606032227.db2.gz LZYJYGPWIZOSIS-DGCLKSJQSA-N -2 0 308.334 1.611 20 0 DDADRL Cc1oc(CN(C)C(=O)[C@@H](NC(=O)[O-])C(C)C)cc1C(=O)[O-] ZINC000833934838 606055028 /nfs/dbraw/zinc/05/50/28/606055028.db2.gz NUJZFWIHHCFYKS-NSHDSACASA-N -2 0 312.322 1.537 20 0 DDADRL Cc1oc(CN(C)C(=O)[C@]2(C)CCCN2C(=O)[O-])cc1C(=O)[O-] ZINC000833935929 606055115 /nfs/dbraw/zinc/05/51/15/606055115.db2.gz SVVSHBRLMFZBSC-HNNXBMFYSA-N -2 0 324.333 1.777 20 0 DDADRL O=C([O-])/C=C\c1ccc(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000834061066 606055632 /nfs/dbraw/zinc/05/56/32/606055632.db2.gz NURXNJLSERMAIH-ZTYXWKCZSA-N -2 0 304.302 1.723 20 0 DDADRL O=C([O-])N[C@H]1CCC[C@@H]1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000834171831 606056412 /nfs/dbraw/zinc/05/64/12/606056412.db2.gz GSSBRQJYEFLBGE-KWQFWETISA-N -2 0 310.281 1.899 20 0 DDADRL O=C([O-])N[C@H]1CC[C@@H](C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000834168010 606056617 /nfs/dbraw/zinc/05/66/17/606056617.db2.gz DYZNRDDQVHDNPS-SFYZADRCSA-N -2 0 310.281 1.899 20 0 DDADRL O=C([O-])COc1cccc(NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000834066620 606057391 /nfs/dbraw/zinc/05/73/91/606057391.db2.gz UGFWHOAIGGTTED-MWLCHTKSSA-N -2 0 322.317 1.525 20 0 DDADRL O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2c3ccccc3CCN2C(=O)[O-])C1 ZINC000834061692 606112793 /nfs/dbraw/zinc/11/27/93/606112793.db2.gz XWGOWLDRVLXZGP-YPMHNXCESA-N -2 0 318.329 1.197 20 0 DDADRL O=C([O-])/C=C/c1cnc(/C=C\c2cn(CC(=O)[O-])nn2)s1 ZINC000759083157 700736401 /nfs/dbraw/zinc/73/64/01/700736401.db2.gz HLPYCCKQJIZOIQ-HSFFGMMNSA-N -2 0 306.303 1.087 20 0 DDADRL CC[C@]1(C)NC(=O)N([N-]C(=O)c2c([O-])cc(F)cc2F)C1=O ZINC000769830988 701258355 /nfs/dbraw/zinc/25/83/55/701258355.db2.gz DOOGUTDFQVIBHS-ZDUSSCGKSA-N -2 0 313.260 1.036 20 0 DDADRL O=C([O-])CCCCCNC(=O)C(=O)[N-]OC1CCCCC1 ZINC000817114388 702274026 /nfs/dbraw/zinc/27/40/26/702274026.db2.gz HIGSDXKQJKKVSJ-UHFFFAOYSA-N -2 0 300.355 1.128 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000863951577 706044711 /nfs/dbraw/zinc/04/47/11/706044711.db2.gz LPMORRUWGTUWNQ-LLVKDONJSA-N -2 0 313.375 1.547 20 0 DDADRL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)CCC1CCCCC1 ZINC000863963287 706047309 /nfs/dbraw/zinc/04/73/09/706047309.db2.gz QXTZOCSGAIGIRE-UHFFFAOYSA-N -2 0 305.396 1.514 20 0 DDADRL C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc([O-])cc(F)c2)C1 ZINC000864495590 706181647 /nfs/dbraw/zinc/18/16/47/706181647.db2.gz JJAOBFTUINCHEF-GFCCVEGCSA-N -2 0 303.311 1.017 20 0 DDADRL C[C@@H](CN(C)C(=O)c1ccc2oc(=S)[n-]c2c1)c1nnn[n-]1 ZINC000832127246 706848708 /nfs/dbraw/zinc/84/87/08/706848708.db2.gz UUKVHLIYKXDVDM-ZETCQYMHSA-N -2 0 318.362 1.505 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)/C=C\c2ccccc2)C1 ZINC000910183369 709801220 /nfs/dbraw/zinc/80/12/20/709801220.db2.gz BBPVUTCGESYPNU-VDQNYZKDSA-N -2 0 303.314 1.476 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(C3CC3)cc2)C1 ZINC000910185085 709801725 /nfs/dbraw/zinc/80/17/25/709801725.db2.gz YKRQZUJHIOOBSV-KGLIPLIRSA-N -2 0 317.341 1.954 20 0 DDADRL CC(C)(C)SCC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910186053 709802573 /nfs/dbraw/zinc/80/25/73/709802573.db2.gz MRSJKCDTIVNDSI-BDAKNGLRSA-N -2 0 303.380 1.295 20 0 DDADRL O=C([O-])C[C@@H](CN=c1nn[n-]n1Cc1ccccc1)C1CC1 ZINC000910317057 709886540 /nfs/dbraw/zinc/88/65/40/709886540.db2.gz IPNCBNHUQZYCCM-ZDUSSCGKSA-N -2 0 301.350 1.056 20 0 DDADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)C1 ZINC000901652062 710108653 /nfs/dbraw/zinc/10/86/53/710108653.db2.gz UALQSLJUEVNPQZ-UWVGGRQHSA-N -2 0 311.378 1.693 20 0 DDADRL C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000901658641 710111504 /nfs/dbraw/zinc/11/15/04/710111504.db2.gz VSEJRAYQMSOTNH-PWSUYJOCSA-N -2 0 305.330 1.639 20 0 DDADRL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000902071562 710604027 /nfs/dbraw/zinc/60/40/27/710604027.db2.gz ZGIZKJIHXSPCML-ULMHFPJVSA-N -2 0 303.314 1.308 20 0 DDADRL CN([C@@H]1CCSC1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906904553 712434409 /nfs/dbraw/zinc/43/44/09/712434409.db2.gz NCNWTKYGFQSUTF-SECBINFHSA-N -2 0 317.388 1.216 20 0 DDADRL COC(=O)[C@H]1CC[C@H](Nc2ccc(P(=O)([O-])[O-])cc2)CC1 ZINC001167830334 738944002 /nfs/dbraw/zinc/94/40/02/738944002.db2.gz DCNUWTRQNBBTLR-XYPYZODXSA-N -2 0 313.290 1.633 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])[C@H]1C[C@H]1c1ccccc1F ZINC001182284094 743551712 /nfs/dbraw/zinc/55/17/12/743551712.db2.gz CFCQBUNZVSJSCG-UWVGGRQHSA-N -2 0 303.226 1.155 20 0 DDADRL Cc1ccc(S(=O)(=O)Nc2cnc(C)[nH]c2=O)cc1C(=O)[O-] ZINC001184670637 744075096 /nfs/dbraw/zinc/07/50/96/744075096.db2.gz SUHJSRIGQCANRT-UHFFFAOYSA-N -2 0 323.330 1.298 20 0 DDADRL COc1nccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n1 ZINC001184653192 744078532 /nfs/dbraw/zinc/07/85/32/744078532.db2.gz KNCGUDZFYSWCCJ-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cncnc2C)cc1C(=O)[O-] ZINC001184664211 744080372 /nfs/dbraw/zinc/08/03/72/744080372.db2.gz OETDCMGVNWFOPA-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])Nc1ccc2c(c1)CCC2 ZINC001185776836 744284464 /nfs/dbraw/zinc/28/44/64/744284464.db2.gz ZYBLPWCRCLASDU-UHFFFAOYSA-N -2 0 300.251 1.406 20 0 DDADRL Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001187540314 744577556 /nfs/dbraw/zinc/57/75/56/744577556.db2.gz QKVLUPXYEVJXMN-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CCn2cccc2C1 ZINC001189877184 745012861 /nfs/dbraw/zinc/01/28/61/745012861.db2.gz IDFQLDOQISYUJM-UHFFFAOYSA-N -2 0 322.257 1.616 20 0 DDADRL O=C(N[C@H]1SC(=O)[N-]C1=O)c1cc(Cl)nc(Cl)c1[O-] ZINC001193093780 745987778 /nfs/dbraw/zinc/98/77/78/745987778.db2.gz LYTKBUQJEWRBQE-QMMMGPOBSA-N -2 0 322.129 1.133 20 0 DDADRL O=C([O-])CCC(=O)CNC(=O)c1cc(Cl)c(F)cc1[O-] ZINC001196478168 746871561 /nfs/dbraw/zinc/87/15/61/746871561.db2.gz OVEKQYZHHHELEO-UHFFFAOYSA-N -2 0 303.673 1.348 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1nccnc1C1CC1 ZINC001198738636 747585225 /nfs/dbraw/zinc/58/52/25/747585225.db2.gz CDPPPFPCSTWPTG-UHFFFAOYSA-N -2 0 319.342 1.853 20 0 DDADRL Cc1nn(C)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000172818140 750969139 /nfs/dbraw/zinc/96/91/39/750969139.db2.gz DCVMJJXUKAMIMV-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL COC(=O)c1cc(OC)ccc1NCCOP(=O)([O-])[O-] ZINC001168591584 751219492 /nfs/dbraw/zinc/21/94/92/751219492.db2.gz CHZQFFIIBFSLOS-UHFFFAOYSA-N -2 0 305.223 1.003 20 0 DDADRL CCn1c(C)cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1C ZINC000825117616 759222977 /nfs/dbraw/zinc/22/29/77/759222977.db2.gz RIZDZCJRWIHGQL-YPMHNXCESA-N -2 0 322.361 1.515 20 0 DDADRL O=C(Nc1ccccc1O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926125 773652718 /nfs/dbraw/zinc/65/27/18/773652718.db2.gz FCBALKJKNIRHRR-UHFFFAOYSA-N -2 0 309.299 1.597 20 0 DDADRL O=C(c1ccc2[n-]c(=S)oc2c1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001175553155 777839473 /nfs/dbraw/zinc/83/94/73/777839473.db2.gz UADWEHNMHMIECH-MRVPVSSYSA-N -2 0 316.346 1.259 20 0 DDADRL COc1ccc(N)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001176237887 778089192 /nfs/dbraw/zinc/08/91/92/778089192.db2.gz HFDAJSRXLZDLPY-UHFFFAOYSA-N -2 0 303.274 1.812 20 0 DDADRL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-][C@@H]1CCCc2nccnc21 ZINC001180176531 779636612 /nfs/dbraw/zinc/63/66/12/779636612.db2.gz FGBZURKBVUSXPI-SSDOTTSWSA-N -2 0 321.230 1.325 20 0 DDADRL CCOC(=O)c1[nH]cnc1NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001180435286 779759302 /nfs/dbraw/zinc/75/93/02/779759302.db2.gz XSRIHXCZEPYMNA-UHFFFAOYSA-N -2 0 309.322 1.560 20 0 DDADRL O=P([O-])([O-])OCCNC(F)(F)c1cccnc1Cl ZINC001157787733 864139761 /nfs/dbraw/zinc/13/97/61/864139761.db2.gz MKELVSOSCWXXMM-UHFFFAOYSA-N -2 0 302.601 1.483 20 0 DDADRL CCOC(=O)c1cc(NCCOP(=O)([O-])[O-])ncc1Cl ZINC001157787863 864139904 /nfs/dbraw/zinc/13/99/04/864139904.db2.gz SQZYSUGXLOFKCP-UHFFFAOYSA-N -2 0 324.657 1.433 20 0 DDADRL CC(C)(C)c1cccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001225244896 881738993 /nfs/dbraw/zinc/73/89/93/881738993.db2.gz SPHMWVAHVBKWQE-YPMHNXCESA-N -2 0 324.329 1.426 20 0 DDADRL CC(C)c1ccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001222118043 880268072 /nfs/dbraw/zinc/26/80/72/880268072.db2.gz RSLIUKXIJSXLMF-OCCSQVGLSA-N -2 0 324.329 1.390 20 0 DDADRL CC(=O)N1CCC[C@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234338591 887883025 /nfs/dbraw/zinc/88/30/25/887883025.db2.gz LWQNPBGBYNPLKT-ZDUSSCGKSA-N -2 0 315.262 1.548 20 0 DDADRL O=C([O-])c1ccc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)cc1 ZINC001236064513 889090767 /nfs/dbraw/zinc/09/07/67/889090767.db2.gz GFAZEOICFCBXGO-UHFFFAOYSA-N -2 0 318.310 1.876 20 0 DDADRL O=C([O-])c1ccc(-c2ccc3c(c2)S(=O)(=O)[N-]C3=O)cc1F ZINC001241186267 891130159 /nfs/dbraw/zinc/13/01/59/891130159.db2.gz DZUNUTRBNDEYCL-UHFFFAOYSA-N -2 0 321.285 1.623 20 0 DDADRL COC(=O)c1cnccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242162316 891356863 /nfs/dbraw/zinc/35/68/63/891356863.db2.gz FJVZHKMQTFGYJO-UHFFFAOYSA-N -2 0 301.254 1.932 20 0 DDADRL O=P([O-])([O-])c1ccc(-c2cnc(N3CCCC3)nc2)cc1 ZINC001243314070 891638645 /nfs/dbraw/zinc/63/86/45/891638645.db2.gz GBTUXJHTBHTFTM-UHFFFAOYSA-N -2 0 305.274 1.547 20 0 DDADRL NS(=O)(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001250631012 894346949 /nfs/dbraw/zinc/34/69/49/894346949.db2.gz RCQSGUPIUZWFTD-UHFFFAOYSA-N -2 0 321.310 1.397 20 0 DDADRL CCn1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1C ZINC001260183504 899075985 /nfs/dbraw/zinc/07/59/85/899075985.db2.gz SUNVETUMUORMDD-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)[C@@H](C)C(=O)[O-])n1 ZINC000262852087 186312873 /nfs/dbraw/zinc/31/28/73/186312873.db2.gz GJUZONHVJXTYKM-VIFPVBQESA-N -2 0 321.308 1.571 20 0 DDADRL O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)CC(F)(F)F ZINC000564925488 304026946 /nfs/dbraw/zinc/02/69/46/304026946.db2.gz ACFASLUZFIJGPV-DTWKUNHWSA-N -2 0 317.329 1.892 20 0 DDADRL O=C(N=c1[n-]ncs1)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000618492569 363651164 /nfs/dbraw/zinc/65/11/64/363651164.db2.gz HNWCSNFOJIUZOB-UHFFFAOYSA-N -2 0 321.749 1.757 20 0 DDADRL COC(=O)C(C)(C)CS(=O)(=O)Nc1c(O)cccc1Cl ZINC000603418588 359628359 /nfs/dbraw/zinc/62/83/59/359628359.db2.gz GWUHDBGWRFUOFK-UHFFFAOYSA-N -2 0 321.782 1.987 20 0 DDADRL O=C([O-])CC1(NS(=O)(=O)c2ccc(F)c(F)c2F)CCC1 ZINC000094291134 193355964 /nfs/dbraw/zinc/35/59/64/193355964.db2.gz UKFSDLOJCWLFEZ-UHFFFAOYSA-N -2 0 323.292 1.780 20 0 DDADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1)C(=O)[O-] ZINC000350728434 284250221 /nfs/dbraw/zinc/25/02/21/284250221.db2.gz BTVQIJRKWJGSAK-SECBINFHSA-N -2 0 309.347 1.474 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000021504657 182275960 /nfs/dbraw/zinc/27/59/60/182275960.db2.gz BPFSQINYXQEMDT-UHFFFAOYSA-N -2 0 316.285 1.802 20 0 DDADRL CO[C@H](CS(=O)(=O)[N-]c1ccc(F)c(F)c1[O-])C1CC1 ZINC000567870039 304249281 /nfs/dbraw/zinc/24/92/81/304249281.db2.gz QQSSESOCYDEQMD-SNVBAGLBSA-N -2 0 307.318 1.837 20 0 DDADRL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000164849076 408804369 /nfs/dbraw/zinc/80/43/69/408804369.db2.gz VFQBYHRSWTVIRQ-ZWNOBZJWSA-N -2 0 319.329 1.887 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)c1 ZINC000361781252 418710018 /nfs/dbraw/zinc/71/00/18/418710018.db2.gz LVRQPMMHRAHQSN-UHFFFAOYSA-N -2 0 317.273 1.777 20 0 DDADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnnn2C)cc1 ZINC000650409759 423150118 /nfs/dbraw/zinc/15/01/18/423150118.db2.gz BTJYXXOWRROESE-VIFPVBQESA-N -2 0 324.362 1.194 20 0 DDADRL CCC(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000436611335 420343775 /nfs/dbraw/zinc/34/37/75/420343775.db2.gz VZSAFNXUTTWSDI-NSHDSACASA-N -2 0 313.375 1.906 20 0 DDADRL Cc1nn(CC(=O)N=c2ccc(O)n[n-]2)cc1-c1ccccc1 ZINC000436014980 420301624 /nfs/dbraw/zinc/30/16/24/420301624.db2.gz GDUZDJKEYHNWAB-UHFFFAOYSA-N -2 0 309.329 1.415 20 0 DDADRL CN(Cc1ccccc1)C(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000548594571 421452162 /nfs/dbraw/zinc/45/21/62/421452162.db2.gz ZPCZHCSJUHYJQN-OAHLLOKOSA-N -2 0 308.334 1.394 20 0 DDADRL O=C([O-])CN(C(=O)c1cc(F)c([O-])c(F)c1)C1CCOCC1 ZINC000572038839 421760339 /nfs/dbraw/zinc/76/03/39/421760339.db2.gz KFIJVJCRVXQRGA-UHFFFAOYSA-N -2 0 315.272 1.376 20 0 DDADRL CO[C@@H]1CN(Cc2cc(=O)[nH]c(C3CC3)n2)[C@](C)(C(=O)[O-])C1 ZINC000634695400 422554944 /nfs/dbraw/zinc/55/49/44/422554944.db2.gz UOIXZRSVWHYBHD-NHYWBVRUSA-N -2 0 307.350 1.124 20 0 DDADRL CC(C)(CCNC(=O)NCc1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC000644178018 423530316 /nfs/dbraw/zinc/53/03/16/423530316.db2.gz FQLXBQHMXWBEDD-UHFFFAOYSA-N -2 0 308.334 1.685 20 0 DDADRL O=C([O-])COc1cccc(C(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000656857973 423809749 /nfs/dbraw/zinc/80/97/49/423809749.db2.gz SALUMWSPANCVQP-UHFFFAOYSA-N -2 0 321.329 1.523 20 0 DDADRL COCc1nc(=N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)s[n-]1 ZINC000649403353 423863258 /nfs/dbraw/zinc/86/32/58/423863258.db2.gz AYCKATPJLACZNH-MNOVXSKESA-N -2 0 305.359 1.832 20 0 DDADRL O=C([O-])CC[C@@H](NS(=O)(=O)CCC1CCCCC1)C(=O)[O-] ZINC000654768052 423887920 /nfs/dbraw/zinc/88/79/20/423887920.db2.gz ZLAHSEIOMDMRGP-LLVKDONJSA-N -2 0 321.395 1.194 20 0 DDADRL CC[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1F)CC(=O)[O-] ZINC000147388383 281646876 /nfs/dbraw/zinc/64/68/76/281646876.db2.gz RCXOHQXUCYFNRN-MRVPVSSYSA-N -2 0 307.318 1.744 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCCC[C@@]1(C)C(=O)[O-] ZINC000547886999 303558265 /nfs/dbraw/zinc/55/82/65/303558265.db2.gz LOOJDJZWRLHQKK-NQMVMOMDSA-N -2 0 317.329 1.890 20 0 DDADRL CCn1cncc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000548580272 307777230 /nfs/dbraw/zinc/77/72/30/307777230.db2.gz UFPGEEVZWPNHNP-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL CC(C)(C)CCCS(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000570049790 308158007 /nfs/dbraw/zinc/15/80/07/308158007.db2.gz ICWSSRPYKCGJKU-SNVBAGLBSA-N -2 0 323.411 1.440 20 0 DDADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000663134332 484694470 /nfs/dbraw/zinc/69/44/70/484694470.db2.gz ZHVXLAAWMUFNJJ-SJKOYZFVSA-N -2 0 317.341 1.698 20 0 DDADRL CCC(CC)(CNC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)C(=O)[O-] ZINC000424421864 528672658 /nfs/dbraw/zinc/67/26/58/528672658.db2.gz DTLAPOVEHPWKPP-GHMZBOCLSA-N -2 0 314.382 1.630 20 0 DDADRL COc1ccc(C(=O)[O-])c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000737932692 600019028 /nfs/dbraw/zinc/01/90/28/600019028.db2.gz XUQQBBAZUCNOHH-GHMZBOCLSA-N -2 0 319.313 1.999 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc(F)ccc2F)c1C(=O)[O-] ZINC000738828474 600229395 /nfs/dbraw/zinc/22/93/95/600229395.db2.gz CZQDTRPDCICONT-UHFFFAOYSA-N -2 0 317.273 1.495 20 0 DDADRL C[C@@]([N-]S(=O)(=O)c1c(F)cccc1F)(C(=O)[O-])C1CC1 ZINC000036983590 600239437 /nfs/dbraw/zinc/23/94/37/600239437.db2.gz NXGGOHPZIFQGAQ-LBPRGKRZSA-N -2 0 305.302 1.496 20 0 DDADRL CCc1n[n-]c(=NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)s1 ZINC000405466225 600333481 /nfs/dbraw/zinc/33/34/81/600333481.db2.gz BUHLUSJSOMIVLM-MRVPVSSYSA-N -2 0 310.379 1.241 20 0 DDADRL Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1 ZINC000738604662 600461569 /nfs/dbraw/zinc/46/15/69/600461569.db2.gz XOWOBKMTNJLIIW-UHFFFAOYSA-N -2 0 303.311 1.059 20 0 DDADRL COC(=O)c1cc(NC(=O)CC(C)(C)C(=O)[O-])cc(C(=O)[O-])c1 ZINC000737659219 600639875 /nfs/dbraw/zinc/63/98/75/600639875.db2.gz HMCBJMCSBUTGFQ-UHFFFAOYSA-N -2 0 323.301 1.611 20 0 DDADRL CCC(CC)(NS(=O)(=O)c1cccc(F)c1F)C(=O)[O-] ZINC000828849036 600791032 /nfs/dbraw/zinc/79/10/32/600791032.db2.gz FWSAWUSMPFOTSI-UHFFFAOYSA-N -2 0 307.318 1.887 20 0 DDADRL CC(C)n1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cn1 ZINC000827186524 600982378 /nfs/dbraw/zinc/98/23/78/600982378.db2.gz OKSJLHJKQJNFMH-UHFFFAOYSA-N -2 0 310.335 1.358 20 0 DDADRL CCc1cnc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)s1 ZINC000830299260 600985463 /nfs/dbraw/zinc/98/54/63/600985463.db2.gz MXUDZEJUCFYDKO-UHFFFAOYSA-N -2 0 301.349 1.533 20 0 DDADRL CCn1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cn1 ZINC000032595300 601322079 /nfs/dbraw/zinc/32/20/79/601322079.db2.gz LXSBQQLJTNGVNL-VMPITWQZSA-N -2 0 321.358 1.802 20 0 DDADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])s1 ZINC000035426768 601357549 /nfs/dbraw/zinc/35/75/49/601357549.db2.gz XBNMMCFNDIVEGW-UHFFFAOYSA-N -2 0 302.333 1.852 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C2CC2)c1 ZINC000833333104 601364466 /nfs/dbraw/zinc/36/44/66/601364466.db2.gz HCGIITUSZNVMNB-RYUDHWBXSA-N -2 0 309.343 1.236 20 0 DDADRL O=C([O-])c1sc(NCCCc2n[nH]c(=O)[n-]2)nc1Cl ZINC000833347225 601446192 /nfs/dbraw/zinc/44/61/92/601446192.db2.gz YXNGRSWVEBYEDR-UHFFFAOYSA-N -2 0 303.731 1.363 20 0 DDADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1c[nH]c2ncccc12 ZINC000833347052 601604235 /nfs/dbraw/zinc/60/42/35/601604235.db2.gz STAMPDHSWKEGIK-UHFFFAOYSA-N -2 0 324.343 1.518 20 0 DDADRL Cc1cccc(NS(=O)(=O)C[C@@H](C)C(=O)[O-])c1C(=O)[O-] ZINC000832971226 601617167 /nfs/dbraw/zinc/61/71/67/601617167.db2.gz RIPNFOGELIHCJZ-MRVPVSSYSA-N -2 0 301.320 1.156 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnoc2)c(Cl)cc1F ZINC000749555461 601839598 /nfs/dbraw/zinc/83/95/98/601839598.db2.gz VCODEZIKGZVVQV-UHFFFAOYSA-N -2 0 320.685 1.966 20 0 DDADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CC23CCC3)cc1 ZINC000833314265 601974967 /nfs/dbraw/zinc/97/49/67/601974967.db2.gz FMVNOYWVZZWDRA-LBPRGKRZSA-N -2 0 323.370 1.521 20 0 DDADRL CSc1[nH]c(=O)c(C(=O)[N-]OCC(C)C)cc1-c1nnn[n-]1 ZINC000826229653 607563165 /nfs/dbraw/zinc/56/31/65/607563165.db2.gz MBLBHINVAJACMW-UHFFFAOYSA-N -2 0 324.366 1.007 20 0 DDADRL CN(Cc1ccccc1[N-]S(=O)(=O)c1cccnc1)C(=O)[O-] ZINC000739716932 602654401 /nfs/dbraw/zinc/65/44/01/602654401.db2.gz WSDJDAXEYUTCSX-UHFFFAOYSA-N -2 0 321.358 1.992 20 0 DDADRL CCN(CC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1)C(=O)[O-] ZINC000739395584 602779993 /nfs/dbraw/zinc/77/99/93/602779993.db2.gz WBGJNAZPZLZENB-SNVBAGLBSA-N -2 0 314.363 1.194 20 0 DDADRL C[C@H]1CN(C(=O)[O-])CCN1Cc1c([O-])nnn1-c1ccccc1 ZINC000739156380 602864048 /nfs/dbraw/zinc/86/40/48/602864048.db2.gz QQIKBXYRVBHLFO-NSHDSACASA-N -2 0 317.349 1.157 20 0 DDADRL CN(C(=O)[O-])[C@@H]1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000827872199 603522726 /nfs/dbraw/zinc/52/27/26/603522726.db2.gz XVNHHHFKUODXBT-SECBINFHSA-N -2 0 321.358 1.941 20 0 DDADRL C[C@@H](CN(C)C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000824868757 604255155 /nfs/dbraw/zinc/25/51/55/604255155.db2.gz QSXFLGPXGABKIJ-JTQLQIEISA-N -2 0 320.411 1.259 20 0 DDADRL CC1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833557143 605161757 /nfs/dbraw/zinc/16/17/57/605161757.db2.gz NKQVPAQFXHMOQY-ZCFIWIBFSA-N -2 0 303.361 1.297 20 0 DDADRL CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000826775313 605277784 /nfs/dbraw/zinc/27/77/84/605277784.db2.gz OGVSISUIHNQLAM-MNOVXSKESA-N -2 0 320.411 1.401 20 0 DDADRL C[C@H](CNC(=O)[O-])N(C)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000824967521 605692075 /nfs/dbraw/zinc/69/20/75/605692075.db2.gz SAHFXFYRTPUGAW-ZCFIWIBFSA-N -2 0 304.705 1.913 20 0 DDADRL O=C([O-])Nc1ccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cc1 ZINC000834258279 605992012 /nfs/dbraw/zinc/99/20/12/605992012.db2.gz NUOHIEAWCPJBOJ-SNVBAGLBSA-N -2 0 316.321 1.309 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000834173864 606030425 /nfs/dbraw/zinc/03/04/25/606030425.db2.gz SYORQDBVHDJEOI-JHJVBQTASA-N -2 0 320.345 1.235 20 0 DDADRL O=C([O-])C[C@@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000834060902 606031375 /nfs/dbraw/zinc/03/13/75/606031375.db2.gz MIURRVJMUREYOP-ZYHUDNBSSA-N -2 0 324.308 1.458 20 0 DDADRL O=C([O-])/C=C\c1ccc(NC(=O)[C@H]2CCCN2C(=O)[O-])cc1 ZINC000834059472 606055075 /nfs/dbraw/zinc/05/50/75/606055075.db2.gz BUPZVEPQOKVCQO-VVEJJEBESA-N -2 0 304.302 1.865 20 0 DDADRL O=C([O-])/C=C/c1ccc(NC(=O)[C@H]2COCCN2C(=O)[O-])cc1 ZINC000834061324 606055900 /nfs/dbraw/zinc/05/59/00/606055900.db2.gz SYZBSAJYUHAXEJ-MJRJWQSSSA-N -2 0 320.301 1.102 20 0 DDADRL O=C([O-])c1ccc(NC(=O)[C@@H]2CCCCN2C(=O)[O-])cc1F ZINC000834282517 606065608 /nfs/dbraw/zinc/06/56/08/606065608.db2.gz ASLZDAXIZHIGDT-NSHDSACASA-N -2 0 310.281 1.995 20 0 DDADRL O=C(CC1CN(C(=O)[O-])C1)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000833986891 606069352 /nfs/dbraw/zinc/06/93/52/606069352.db2.gz BOYSGHHKDQVOFY-NWDGAFQWSA-N -2 0 312.366 1.526 20 0 DDADRL O=C(CC1CCN(C(=O)[O-])CC1)[N-]S(=O)(=O)C1CCCC1 ZINC000833987964 606090438 /nfs/dbraw/zinc/09/04/38/606090438.db2.gz MNOBTSNBEMTFSV-UHFFFAOYSA-N -2 0 318.395 1.155 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1ncoc1-c1ccccc1Cl ZINC000816734471 702169541 /nfs/dbraw/zinc/16/95/41/702169541.db2.gz QMMMTODENWVNIV-UHFFFAOYSA-N -2 0 321.680 1.382 20 0 DDADRL O=C(Cn1c(=O)c2ccccc2[n-]c1=S)[N-]OCCC1CC1 ZINC000817441949 702381476 /nfs/dbraw/zinc/38/14/76/702381476.db2.gz RAVFILQCNXUKDL-UHFFFAOYSA-N -2 0 319.386 1.533 20 0 DDADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]OCCCC(F)(F)F ZINC000871215751 704244831 /nfs/dbraw/zinc/24/48/31/704244831.db2.gz JXSANARDPVMFGK-UHFFFAOYSA-N -2 0 324.221 1.834 20 0 DDADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000863953250 706045091 /nfs/dbraw/zinc/04/50/91/706045091.db2.gz QKOXBFNVRRGKOW-WHLNPGIBSA-N -2 0 323.370 1.604 20 0 DDADRL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000863960920 706046883 /nfs/dbraw/zinc/04/68/83/706046883.db2.gz CWUDVDVKENTXQM-UHFFFAOYSA-N -2 0 323.729 1.395 20 0 DDADRL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@@H]1CC2CCC1CC2 ZINC000863964269 706047702 /nfs/dbraw/zinc/04/77/02/706047702.db2.gz QAPYVRIPLVZXJM-UDNWOFFPSA-N -2 0 303.380 1.122 20 0 DDADRL O=C([O-])CSCCNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000909231933 712969099 /nfs/dbraw/zinc/96/90/99/712969099.db2.gz VVFKUDXYCLXANV-UHFFFAOYSA-N -2 0 307.730 1.732 20 0 DDADRL CC(C)(C)C1CC(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])C1 ZINC000910184406 709801485 /nfs/dbraw/zinc/80/14/85/709801485.db2.gz QLBDITLZGOHIFY-YYJSSNLHSA-N -2 0 311.378 1.835 20 0 DDADRL CSc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC000910188569 709803506 /nfs/dbraw/zinc/80/35/06/709803506.db2.gz LZEOOGPXOGHXOM-PWSUYJOCSA-N -2 0 323.370 1.799 20 0 DDADRL Cn1cc(Cl)cc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910192997 709806134 /nfs/dbraw/zinc/80/61/34/709806134.db2.gz ZXTFWGUVMXYGFJ-CBAPKCEASA-N -2 0 314.725 1.069 20 0 DDADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)C1 ZINC000901652064 710108670 /nfs/dbraw/zinc/10/86/70/710108670.db2.gz UALQSLJUEVNPQZ-ZJUUUORDSA-N -2 0 311.378 1.693 20 0 DDADRL CC(=O)c1cc(F)c([O-])c([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000901953031 710183436 /nfs/dbraw/zinc/18/34/36/710183436.db2.gz QYTWGMKUCBIWRP-JTQLQIEISA-N -2 0 317.338 1.655 20 0 DDADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000905999156 712215890 /nfs/dbraw/zinc/21/58/90/712215890.db2.gz JUFJKPIPCBCKCZ-UHFFFAOYSA-N -2 0 313.709 1.479 20 0 DDADRL CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)C(=O)[O-] ZINC000916110349 713442843 /nfs/dbraw/zinc/44/28/43/713442843.db2.gz XJTPVDSPZPFWTL-MRVPVSSYSA-N -2 0 321.738 1.180 20 0 DDADRL O=C([O-])c1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000212210460 741575631 /nfs/dbraw/zinc/57/56/31/741575631.db2.gz OOTIPYAQKHFRPS-CQSZACIVSA-N -2 0 313.309 1.811 20 0 DDADRL COc1ccc(Cl)cc1NC(=O)NCC[P@@](=O)([O-])O ZINC001187935351 744637314 /nfs/dbraw/zinc/63/73/14/744637314.db2.gz LDJLLIWZZZTEIU-UHFFFAOYSA-N -2 0 308.658 1.648 20 0 DDADRL O=C(NC[C@@H]1CCCCO1)c1ccccc1OP(=O)([O-])[O-] ZINC001189900191 745048558 /nfs/dbraw/zinc/04/85/58/745048558.db2.gz UNGRXWRWXBBMAR-JTQLQIEISA-N -2 0 315.262 1.457 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1ccncc1-c1ccccc1 ZINC001191909554 745633141 /nfs/dbraw/zinc/63/31/41/745633141.db2.gz QTHSRYRXMYDMRD-UHFFFAOYSA-N -2 0 322.257 1.588 20 0 DDADRL Cn1cnc2c1cc(Cl)nc2NCCOP(=O)([O-])[O-] ZINC001168587568 751184060 /nfs/dbraw/zinc/18/40/60/751184060.db2.gz RRIISWSEACXVNF-UHFFFAOYSA-N -2 0 306.646 1.143 20 0 DDADRL O=c1[nH]c(NCCOP(=O)([O-])[O-])c(Cl)cc1Cl ZINC001168588091 751189043 /nfs/dbraw/zinc/18/90/43/751189043.db2.gz YYHLUZPFVRZDCA-UHFFFAOYSA-N -2 0 303.038 1.615 20 0 DDADRL C[C@H](Cc1ccccc1)C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000820621510 758116362 /nfs/dbraw/zinc/11/63/62/758116362.db2.gz WCNJCDVYVSZMSF-BNOWGMLFSA-N -2 0 319.357 1.642 20 0 DDADRL O=P([O-])([O-])OCCNc1ccc(-c2ccc(F)cc2)nn1 ZINC001157796145 766687044 /nfs/dbraw/zinc/68/70/44/766687044.db2.gz XZAPAUHWRADFJQ-UHFFFAOYSA-N -2 0 313.225 1.804 20 0 DDADRL Nc1cc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)ccc1O ZINC001174953806 777647166 /nfs/dbraw/zinc/64/71/66/777647166.db2.gz OXVLMYAHFOUAHW-UHFFFAOYSA-N -2 0 322.342 1.402 20 0 DDADRL NC(=O)Cc1cccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176245404 778094474 /nfs/dbraw/zinc/09/44/74/778094474.db2.gz YHBGXXLTHXGMTE-UHFFFAOYSA-N -2 0 314.297 1.854 20 0 DDADRL Cc1ccc(C(C)C)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225224180 881730316 /nfs/dbraw/zinc/73/03/16/881730316.db2.gz AFIOQFFKUMNZQL-BXUZGUMPSA-N -2 0 324.329 1.560 20 0 DDADRL CCCc1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227171740 882890596 /nfs/dbraw/zinc/89/05/96/882890596.db2.gz GLGLENZEXVUNMH-GXFFZTMASA-N -2 0 310.302 1.081 20 0 DDADRL O=C([O-])C[C@@H](C(=O)Oc1cccc2sccc21)[C@H](O)C(=O)[O-] ZINC001230214567 884377184 /nfs/dbraw/zinc/37/71/84/884377184.db2.gz UJJLWAXWHCNMCZ-PELKAZGASA-N -2 0 324.310 1.343 20 0 DDADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cnn([C@@H]2CCOC2)c1 ZINC001240629335 891002993 /nfs/dbraw/zinc/00/29/93/891002993.db2.gz PSFQDSKUIOTPNZ-SNVBAGLBSA-N -2 0 302.286 1.908 20 0 DDADRL CC(C)Cn1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ncc1=O ZINC001242163574 891358129 /nfs/dbraw/zinc/35/81/29/891358129.db2.gz AKEGXSYGAPFTOH-UHFFFAOYSA-N -2 0 316.313 1.963 20 0 DDADRL Cc1cc(=O)n(-c2ccc(-c3cccc(CC(=O)[O-])c3)nn2)[n-]1 ZINC001242261094 891377297 /nfs/dbraw/zinc/37/72/97/891377297.db2.gz BHPHRZCGWYVQMN-UHFFFAOYSA-N -2 0 310.313 1.883 20 0 DDADRL Cn1nc2c(c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)CCC2 ZINC001260221069 899093766 /nfs/dbraw/zinc/09/37/66/899093766.db2.gz GDSOAFWXRPCWSS-UHFFFAOYSA-N -2 0 321.358 1.408 20 0 DDADRL Cc1ncnc(C)c1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260393519 899133826 /nfs/dbraw/zinc/13/38/26/899133826.db2.gz MOXBGDJROXOGOB-UHFFFAOYSA-N -2 0 323.330 1.298 20 0 DDADRL Cc1ncc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)s1 ZINC001260393625 899134784 /nfs/dbraw/zinc/13/47/84/899134784.db2.gz QUURWNZZEBOEPX-UHFFFAOYSA-N -2 0 314.344 1.656 20 0 DDADRL CSc1nc(=NC(=O)NC[C@H](CC(C)C)C(=O)[O-])s[n-]1 ZINC000424383102 295687407 /nfs/dbraw/zinc/68/74/07/295687407.db2.gz OYWFXYSVVSQTPY-ZETCQYMHSA-N -2 0 318.424 1.550 20 0 DDADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cnoc3)c1)CCC2 ZINC000623946547 366125335 /nfs/dbraw/zinc/12/53/35/366125335.db2.gz RCKFXDQJBGYNIE-UHFFFAOYSA-N -2 0 308.315 1.662 20 0 DDADRL C[C@@H]1CN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC[C@@H]1C(=O)[O-] ZINC000626773363 367738608 /nfs/dbraw/zinc/73/86/08/367738608.db2.gz NOHWKBGQXLDBLJ-USWWRNFRSA-N -2 0 312.366 1.240 20 0 DDADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000566311407 304143141 /nfs/dbraw/zinc/14/31/41/304143141.db2.gz CLTFUWABOGIZIM-PELKAZGASA-N -2 0 315.347 1.313 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C(=O)[O-] ZINC000062825853 184254694 /nfs/dbraw/zinc/25/46/94/184254694.db2.gz RZQJIZDIFDKTQO-UHFFFAOYSA-N -2 0 309.347 1.834 20 0 DDADRL COCc1nc(=NC[C@@H](Cc2ccccc2)C(=O)[O-])s[n-]1 ZINC000569489879 304357986 /nfs/dbraw/zinc/35/79/86/304357986.db2.gz OZNRJNFCVQJKTB-LLVKDONJSA-N -2 0 307.375 1.462 20 0 DDADRL O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)[C@@H]1CCCOC1 ZINC000274955158 408574692 /nfs/dbraw/zinc/57/46/92/408574692.db2.gz UDJJUTJDNZPSEN-SSDOTTSWSA-N -2 0 321.301 1.584 20 0 DDADRL CO[C@H](C)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000276326507 408836637 /nfs/dbraw/zinc/83/66/37/408836637.db2.gz PUMBVQLZSZIELE-NKWVEPMBSA-N -2 0 323.317 1.365 20 0 DDADRL Cn1nc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1C1CC1 ZINC000290582618 409451243 /nfs/dbraw/zinc/45/12/43/409451243.db2.gz WAFCXVLSELWOIS-UHFFFAOYSA-N -2 0 310.335 1.125 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)nn1C ZINC000319230019 164036059 /nfs/dbraw/zinc/03/60/59/164036059.db2.gz VBWJSFLPXCYKFB-UHFFFAOYSA-N -2 0 323.374 1.547 20 0 DDADRL CCCc1ccc([N-]S(=O)(=O)c2ccnn2C)c(C(=O)[O-])c1 ZINC000340079517 410661125 /nfs/dbraw/zinc/66/11/25/410661125.db2.gz HHUIOCTWYAAFPT-UHFFFAOYSA-N -2 0 323.374 1.872 20 0 DDADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)c1 ZINC000361774067 418708788 /nfs/dbraw/zinc/70/87/88/418708788.db2.gz WHIQWTJSTQZDCY-UHFFFAOYSA-N -2 0 323.302 1.839 20 0 DDADRL O=C([O-])Cn1cc(/C=C/c2ccc3cc(C(=O)[O-])ccc3n2)nn1 ZINC000361497613 418663934 /nfs/dbraw/zinc/66/39/34/418663934.db2.gz DUZZYLWYQZRGIQ-SNAWJCMRSA-N -2 0 324.296 1.780 20 0 DDADRL Nc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c1 ZINC000547541946 421342701 /nfs/dbraw/zinc/34/27/01/421342701.db2.gz UQGVCZLVACUQMK-UHFFFAOYSA-N -2 0 308.315 1.473 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-] ZINC000547569893 421344686 /nfs/dbraw/zinc/34/46/86/421344686.db2.gz VMDINNKMGSRVII-SSDOTTSWSA-N -2 0 305.318 1.748 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1CCCC[C@]1(C)C(=O)[O-] ZINC000547887000 421377132 /nfs/dbraw/zinc/37/71/32/421377132.db2.gz LOOJDJZWRLHQKK-WEDXCCLWSA-N -2 0 317.329 1.890 20 0 DDADRL C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000575992670 422354671 /nfs/dbraw/zinc/35/46/71/422354671.db2.gz FTVVWIOICZRSIS-XVKPBYJWSA-N -2 0 301.320 1.010 20 0 DDADRL C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655574630 424578305 /nfs/dbraw/zinc/57/83/05/424578305.db2.gz VKTHUIMLMKNYSW-KZZRWZIVSA-N -2 0 311.378 1.739 20 0 DDADRL C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(=O)[O-] ZINC000655882577 424691164 /nfs/dbraw/zinc/69/11/64/424691164.db2.gz JMFGSKYFTWPSRG-AATLWQCWSA-N -2 0 300.355 1.142 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cn1 ZINC000342972171 271591920 /nfs/dbraw/zinc/59/19/20/271591920.db2.gz OOONOWBHRDDNGT-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL CC(C)[C@@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)[O-] ZINC000562355462 307935679 /nfs/dbraw/zinc/93/56/79/307935679.db2.gz VKGKPHMIEGOMBJ-GFCCVEGCSA-N -2 0 321.308 1.556 20 0 DDADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2(C(=O)[O-])CCCCCC2)C1 ZINC000663056307 484632283 /nfs/dbraw/zinc/63/22/83/484632283.db2.gz MHXQFBVUCZHLKT-NEPJUHHUSA-N -2 0 311.378 1.981 20 0 DDADRL C[C@](CNC(=O)[C@H](C(=O)[O-])C1CC1)(C(=O)[O-])c1ccccc1 ZINC000663121441 484684966 /nfs/dbraw/zinc/68/49/66/484684966.db2.gz YTWMNYCUVIBXOM-MLGOLLRUSA-N -2 0 305.330 1.256 20 0 DDADRL CCN(C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)[C@H](C)C(=O)[O-] ZINC000663124353 484686695 /nfs/dbraw/zinc/68/66/95/484686695.db2.gz NLOPTKLRDCQGTO-LLVKDONJSA-N -2 0 317.345 1.409 20 0 DDADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000673629723 485439638 /nfs/dbraw/zinc/43/96/38/485439638.db2.gz XCDCBXUGUWXKBH-UHFFFAOYSA-N -2 0 323.330 1.754 20 0 DDADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCCCCC(=O)[O-])C1 ZINC000422591721 534076350 /nfs/dbraw/zinc/07/63/50/534076350.db2.gz RKUKUPZJDGIIHY-WDEREUQCSA-N -2 0 300.355 1.384 20 0 DDADRL O=C([O-])NCCCC(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000739957347 599800938 /nfs/dbraw/zinc/80/09/38/599800938.db2.gz RTDIWYRPMJKWKM-UHFFFAOYSA-N -2 0 306.384 1.061 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)cn1 ZINC000737302905 600097957 /nfs/dbraw/zinc/09/79/57/600097957.db2.gz MEFHUJNCSYHGSP-UHFFFAOYSA-N -2 0 324.362 1.818 20 0 DDADRL COc1cccnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000738142428 600103658 /nfs/dbraw/zinc/10/36/58/600103658.db2.gz HXBIIIOWNKLLLO-UHFFFAOYSA-N -2 0 314.344 1.651 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1C(=O)[O-] ZINC000738827637 600232828 /nfs/dbraw/zinc/23/28/28/600232828.db2.gz JXCITQYUEXSQMB-UHFFFAOYSA-N -2 0 323.330 1.152 20 0 DDADRL CN(Cc1ccc([N-]S(=O)(=O)c2ccnn2C)cc1)C(=O)[O-] ZINC000737486694 600300525 /nfs/dbraw/zinc/30/05/25/600300525.db2.gz URFDAOHGPLANMB-UHFFFAOYSA-N -2 0 324.362 1.331 20 0 DDADRL CSCCCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000738192429 600352464 /nfs/dbraw/zinc/35/24/64/600352464.db2.gz YKTDVMOMWZDFNW-UHFFFAOYSA-N -2 0 317.388 1.333 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)cc1C(=O)[O-] ZINC000174768335 600816781 /nfs/dbraw/zinc/81/67/81/600816781.db2.gz URTBZMNKYHWYBF-UHFFFAOYSA-N -2 0 324.362 1.131 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C(=O)[O-])cc1Cl ZINC000832954501 601193054 /nfs/dbraw/zinc/19/30/54/601193054.db2.gz HTGDMEZFVFKKEO-DTWKUNHWSA-N -2 0 317.750 1.174 20 0 DDADRL COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000831567901 601295227 /nfs/dbraw/zinc/29/52/27/601295227.db2.gz ODHDNNYUOPPWEY-AWEZNQCLSA-N -2 0 324.358 1.726 20 0 DDADRL C[C@H]1CN(C(=O)c2nn(-c3ccccc3)cc2[O-])C[C@H]1C(=O)[O-] ZINC000828411564 601800339 /nfs/dbraw/zinc/80/03/39/601800339.db2.gz IJCKRVGKBPHJNN-CMPLNLGQSA-N -2 0 315.329 1.371 20 0 DDADRL CSc1n[nH]c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n1 ZINC000832799981 601847604 /nfs/dbraw/zinc/84/76/04/601847604.db2.gz ZRZKZWKKODUVRT-UHFFFAOYSA-N -2 0 320.377 1.087 20 0 DDADRL Cc1noc(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC000833023001 602117653 /nfs/dbraw/zinc/11/76/53/602117653.db2.gz OEXRNJSXEWWFMT-UHFFFAOYSA-N -2 0 302.333 1.852 20 0 DDADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000833347043 602156662 /nfs/dbraw/zinc/15/66/62/602156662.db2.gz SFXJGUNKTGQYIG-UHFFFAOYSA-N -2 0 319.751 1.691 20 0 DDADRL O=C([O-])N1CCC[C@H]1C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000740520776 602593313 /nfs/dbraw/zinc/59/33/13/602593313.db2.gz NCYCFZHZBKGETD-QMMMGPOBSA-N -2 0 320.317 1.386 20 0 DDADRL CCC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000739322139 602670117 /nfs/dbraw/zinc/67/01/17/602670117.db2.gz WROIKIHUTGQJHC-JTQLQIEISA-N -2 0 314.363 1.236 20 0 DDADRL C[C@H]1CN(C(=O)c2n[n-]c3ccccc3c2=O)CCN1C(=O)[O-] ZINC000739171012 602924673 /nfs/dbraw/zinc/92/46/73/602924673.db2.gz GDNQNZOVIMGEMJ-VIFPVBQESA-N -2 0 316.317 1.160 20 0 DDADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCCNC(=O)[O-])n1 ZINC000830069070 603498792 /nfs/dbraw/zinc/49/87/92/603498792.db2.gz UGICESCTXGFZBW-UHFFFAOYSA-N -2 0 322.296 1.023 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000826727762 604256803 /nfs/dbraw/zinc/25/68/03/604256803.db2.gz HWOZTSJYNYNPBM-VHSXEESVSA-N -2 0 308.400 1.115 20 0 DDADRL Cc1cncc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000832986023 604883933 /nfs/dbraw/zinc/88/39/33/604883933.db2.gz FDKDPVLPTZIELR-UHFFFAOYSA-N -2 0 320.326 1.207 20 0 DDADRL O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)CCNC(=O)[O-] ZINC000831815903 605160262 /nfs/dbraw/zinc/16/02/62/605160262.db2.gz WAWUJMUOFBFHCS-UHFFFAOYSA-N -2 0 314.725 1.411 20 0 DDADRL CC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000827525174 605171351 /nfs/dbraw/zinc/17/13/51/605171351.db2.gz ZIFNTZGNENJZOT-NSHDSACASA-N -2 0 314.363 1.155 20 0 DDADRL Cc1cccc(C[C@H](CNC(=O)CCNC(=O)[O-])C(=O)[O-])c1 ZINC000830493419 605186420 /nfs/dbraw/zinc/18/64/20/605186420.db2.gz PWMMZMUPYAMQIK-GFCCVEGCSA-N -2 0 308.334 1.012 20 0 DDADRL CCC1(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)CCCC1 ZINC000826639572 605284095 /nfs/dbraw/zinc/28/40/95/605284095.db2.gz NZIWQUHEBSRGPB-SNVBAGLBSA-N -2 0 318.395 1.155 20 0 DDADRL C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)c1c([O-])cc(F)cc1F ZINC000825831189 605360802 /nfs/dbraw/zinc/36/08/02/605360802.db2.gz KISVKMWCTKQQGO-CBAPKCEASA-N -2 0 314.288 1.931 20 0 DDADRL CN(CCN(C)C(=O)c1ccc2[n-]c(=S)oc2c1)C(=O)[O-] ZINC000833872276 605547001 /nfs/dbraw/zinc/54/70/01/605547001.db2.gz FNXRSBUXPMMACN-UHFFFAOYSA-N -2 0 309.347 1.798 20 0 DDADRL O=C([O-])N1CC(CNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000834068434 605727049 /nfs/dbraw/zinc/72/70/49/605727049.db2.gz DDGVMJMKPCEUMO-UHFFFAOYSA-N -2 0 322.745 1.367 20 0 DDADRL O=C([O-])c1ccc(CNC(=O)[C@H]2CCCCN2C(=O)[O-])cc1 ZINC000834283166 606028831 /nfs/dbraw/zinc/02/88/31/606028831.db2.gz KKJKPTXFOUUAPT-GFCCVEGCSA-N -2 0 306.318 1.534 20 0 DDADRL O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CC1CN(C(=O)[O-])C1 ZINC000834061519 606048572 /nfs/dbraw/zinc/04/85/72/606048572.db2.gz WMFVKGRAKREDRC-ZDUSSCGKSA-N -2 0 318.329 1.024 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)o1 ZINC000834246370 606049185 /nfs/dbraw/zinc/04/91/85/606049185.db2.gz MGSHFYNAXQCECO-GFCCVEGCSA-N -2 0 318.285 1.603 20 0 DDADRL C[C@H](C(=O)[O-])N(C)C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000833789830 606051017 /nfs/dbraw/zinc/05/10/17/606051017.db2.gz MBASOJNTOAPFTA-PWSUYJOCSA-N -2 0 308.334 1.707 20 0 DDADRL O=C([N-]CCCCCC[N-]C(=O)C(F)(F)F)C(F)(F)F ZINC000003155577 696006163 /nfs/dbraw/zinc/00/61/63/696006163.db2.gz SROHYHMPDSABTC-UHFFFAOYSA-N -2 0 308.222 1.904 20 0 DDADRL COc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)c(C)c1 ZINC000055546267 696284415 /nfs/dbraw/zinc/28/44/15/696284415.db2.gz CTMCVYLJPLKRRC-UHFFFAOYSA-N -2 0 321.358 1.022 20 0 DDADRL O=C([O-])c1ccoc1S(=O)(=O)NCCCC(F)(F)F ZINC000871992956 707272757 /nfs/dbraw/zinc/27/27/57/707272757.db2.gz AUWHOJYOBBNUAE-UHFFFAOYSA-N -2 0 301.242 1.599 20 0 DDADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1)C1CCCC1 ZINC000863951563 706044798 /nfs/dbraw/zinc/04/47/98/706044798.db2.gz KQURVZGYOLBFBD-LBPRGKRZSA-N -2 0 311.359 1.383 20 0 DDADRL O=C([O-])CC1(C(=O)[N-]S(=O)(=O)c2cccs2)CCC1 ZINC000863952465 706045028 /nfs/dbraw/zinc/04/50/28/706045028.db2.gz XLPLFFIELVFHLO-UHFFFAOYSA-N -2 0 303.361 1.198 20 0 DDADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2)C1CC1 ZINC000863953473 706045465 /nfs/dbraw/zinc/04/54/65/706045465.db2.gz PVBUAGFXCHHMMO-CYBMUJFWSA-N -2 0 323.370 1.091 20 0 DDADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)CCC1CCCC1 ZINC000863963087 706047514 /nfs/dbraw/zinc/04/75/14/706047514.db2.gz JDVCWKFUONLQOM-UHFFFAOYSA-N -2 0 305.396 1.658 20 0 DDADRL CCC[C@@H]1CCC[C@@H]1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910181162 709800335 /nfs/dbraw/zinc/80/03/35/709800335.db2.gz CGMJBCDOTIMTDI-VOAKCMCISA-N -2 0 311.378 1.979 20 0 DDADRL C[C@H]1C[C@H](C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])C[C@@H](C)C1 ZINC000910183536 709800841 /nfs/dbraw/zinc/80/08/41/709800841.db2.gz MHAXUJNWMDUYGS-FHUSYTEZSA-N -2 0 311.378 1.835 20 0 DDADRL Cc1ccc(CC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC000910190276 709804438 /nfs/dbraw/zinc/80/44/38/709804438.db2.gz VUFPBFYWGKATPQ-CHWSQXEVSA-N -2 0 305.330 1.314 20 0 DDADRL C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccccc1F ZINC000910191139 709805060 /nfs/dbraw/zinc/80/50/60/709805060.db2.gz XUTINSPUQOAWSV-OPQQBVKSSA-N -2 0 323.320 1.706 20 0 DDADRL C[C@@H]1C[C@H](C(=O)Nc2ccc(O)c(F)c2F)O[C@H]1C(=O)[O-] ZINC000911759829 710969756 /nfs/dbraw/zinc/96/97/56/710969756.db2.gz UOKWAMAJSSQOAK-ZDRUMUKXSA-N -2 0 301.245 1.487 20 0 DDADRL CSC[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000906004687 712218341 /nfs/dbraw/zinc/21/83/41/712218341.db2.gz JGVBAUUVRFWMKZ-QMMMGPOBSA-N -2 0 311.331 1.059 20 0 DDADRL C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000906786837 712411630 /nfs/dbraw/zinc/41/16/30/712411630.db2.gz PSZLVYCZMHKDLE-JGVFFNPUSA-N -2 0 319.766 1.529 20 0 DDADRL CN(CC1CCCC1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906844249 712421146 /nfs/dbraw/zinc/42/11/46/712421146.db2.gz IDXAGPXZRWMYQH-UHFFFAOYSA-N -2 0 313.375 1.901 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2cnc(C)cn2)cc1C(=O)[O-] ZINC001185260172 744192077 /nfs/dbraw/zinc/19/20/77/744192077.db2.gz VAFFTVBSEAFUFT-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2n(n1)CCO2 ZINC001185880062 744307372 /nfs/dbraw/zinc/30/73/72/744307372.db2.gz ZTKBVQPWSVLNGJ-UHFFFAOYSA-N -2 0 323.330 1.083 20 0 DDADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001189871319 745008813 /nfs/dbraw/zinc/00/88/13/745008813.db2.gz MFESCKFNOUFSDZ-LSJOCFKGSA-N -2 0 315.237 1.588 20 0 DDADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CCCC(=O)CC1 ZINC001189877502 745013021 /nfs/dbraw/zinc/01/30/21/745013021.db2.gz UQIMDUFPIHWHKL-UHFFFAOYSA-N -2 0 313.246 1.353 20 0 DDADRL CC(C)[S@](=O)c1ccc(NCCOP(=O)([O-])[O-])cc1 ZINC001168591526 751218877 /nfs/dbraw/zinc/21/88/77/751218877.db2.gz APZSODFWAGTZGJ-IBGZPJMESA-N -2 0 307.308 1.724 20 0 DDADRL Cc1nc(C(F)(F)F)ccc1NCCOP(=O)([O-])[O-] ZINC001168592370 751226221 /nfs/dbraw/zinc/22/62/21/751226221.db2.gz RKZPQILHSMHJOZ-UHFFFAOYSA-N -2 0 300.173 1.930 20 0 DDADRL O=P([O-])([O-])c1ccc(N[C@H]2CCc3ccccc3[C@@H]2O)cc1 ZINC001169634046 762555789 /nfs/dbraw/zinc/55/57/89/762555789.db2.gz ZPFKXBKDTWJIEA-HOTGVXAUSA-N -2 0 319.297 1.950 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(Cl)nc2cnccc21 ZINC001157788055 864140248 /nfs/dbraw/zinc/14/02/48/864140248.db2.gz YNLFIUDCEDTWDM-UHFFFAOYSA-N -2 0 304.630 1.199 20 0 DDADRL C[C@@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1nn(C)cc1[O-] ZINC001158308961 864564637 /nfs/dbraw/zinc/56/46/37/864564637.db2.gz ZTNOSYSRSJKUSO-MRVPVSSYSA-N -2 0 313.317 1.266 20 0 DDADRL CCN(CC)C(=O)[C@@H](C)Nc1ccc(P(=O)([O-])[O-])cc1 ZINC001164656830 869343033 /nfs/dbraw/zinc/34/30/33/869343033.db2.gz QDPUIZIUPXXWFV-SNVBAGLBSA-N -2 0 300.295 1.158 20 0 DDADRL CCOc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1C(=O)[O-] ZINC000314434465 878679112 /nfs/dbraw/zinc/67/91/12/878679112.db2.gz HHRAVHHSODNQCC-UHFFFAOYSA-N -2 0 322.342 1.979 20 0 DDADRL CC(C)c1ccccc1COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001223911672 881142982 /nfs/dbraw/zinc/14/29/82/881142982.db2.gz WWVNWMQRDUWFGE-OCCSQVGLSA-N -2 0 324.329 1.390 20 0 DDADRL O=C([O-])C[C@H](C(=O)OCc1coc2ccccc12)[C@H](O)C(=O)[O-] ZINC001224142572 881241425 /nfs/dbraw/zinc/24/14/25/881241425.db2.gz GYCDLRAOGIDQFE-GWCFXTLKSA-N -2 0 322.269 1.012 20 0 DDADRL O=P([O-])([O-])c1ccc(-c2cnn(C3CCOCC3)c2)cc1 ZINC001240095158 890798036 /nfs/dbraw/zinc/79/80/36/890798036.db2.gz WYNIMXDWDOVPFF-UHFFFAOYSA-N -2 0 308.274 1.705 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2nccc(-c3cnccn3)n2)c1 ZINC001242161091 891356735 /nfs/dbraw/zinc/35/67/35/891356735.db2.gz VDVBCZBDZWYIEH-UHFFFAOYSA-N -2 0 322.280 1.997 20 0 DDADRL Cc1ccc(-c2ccc3c(c2)C(=O)[N-]S3(=O)=O)cc1C(=O)[O-] ZINC001243194459 891620484 /nfs/dbraw/zinc/62/04/84/891620484.db2.gz ISWFBRKUUUWAIN-UHFFFAOYSA-N -2 0 317.322 1.792 20 0 DDADRL Cc1cc(=O)n(-c2ccc(-c3cc(C(=O)[O-])cnc3F)nn2)[n-]1 ZINC001244758838 891911050 /nfs/dbraw/zinc/91/10/50/891911050.db2.gz UVRHRBLTVJLLQK-UHFFFAOYSA-N -2 0 315.264 1.489 20 0 DDADRL CC(=O)[N-]S(=O)(=O)c1ccc(-c2c([O-])cccc2F)nc1 ZINC001245654830 892225189 /nfs/dbraw/zinc/22/51/89/892225189.db2.gz QEZJRSCOHQSNGI-UHFFFAOYSA-N -2 0 310.306 1.418 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc(Cl)cn2)cc1 ZINC001260221047 899093707 /nfs/dbraw/zinc/09/37/07/899093707.db2.gz DKBNJKMHKGICJP-UHFFFAOYSA-N -2 0 313.722 1.629 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc3n(n2)CCCO3)cc1 ZINC001260223536 899097077 /nfs/dbraw/zinc/09/70/77/899097077.db2.gz SVVGYIZUJOKGTR-UHFFFAOYSA-N -2 0 323.330 1.165 20 0 DDADRL COc1ccncc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260393025 899134276 /nfs/dbraw/zinc/13/42/76/899134276.db2.gz ZKZDFYXISVPNRS-UHFFFAOYSA-N -2 0 324.314 1.295 20 0 DDADRL Cn1c(C2CC2)n[n-]c1=NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000617284115 363036583 /nfs/dbraw/zinc/03/65/83/363036583.db2.gz VBJPLZVROZLMDL-UHFFFAOYSA-N -2 0 324.344 1.258 20 0 DDADRL C[C@H]1CN(C(=O)NC2CCC(C(=O)[O-])CC2)CC[C@@H]1C(=O)[O-] ZINC000626765555 367732814 /nfs/dbraw/zinc/73/28/14/367732814.db2.gz HWOIAAVXVBLITN-XKGSQUFQSA-N -2 0 312.366 1.382 20 0 DDADRL C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000566313937 304143296 /nfs/dbraw/zinc/14/32/96/304143296.db2.gz VASORZRUISJWMK-QUBYGPBYSA-N -2 0 321.301 1.582 20 0 DDADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000020226893 182199507 /nfs/dbraw/zinc/19/95/07/182199507.db2.gz DTJNKIOTBCDQEG-UHFFFAOYSA-N -2 0 310.331 1.719 20 0 DDADRL CCc1ccc([N-]S(=O)(=O)c2c(C)cnn2C)c(C(=O)[O-])c1 ZINC000285244841 218349518 /nfs/dbraw/zinc/34/95/18/218349518.db2.gz UIBCBHURSPGSQI-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL COc1cc(F)cc(-c2noc(=N[C@@H]3CC[C@H](C(=O)[O-])C3)[n-]2)c1 ZINC000629767121 422805095 /nfs/dbraw/zinc/80/50/95/422805095.db2.gz FTGSIIQYINSNBZ-GZMMTYOYSA-N -2 0 321.308 1.971 20 0 DDADRL O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000029006771 406920769 /nfs/dbraw/zinc/92/07/69/406920769.db2.gz IJABJRBRUZXSIA-VHSXEESVSA-N -2 0 306.274 1.906 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cnn1C ZINC000362431148 164157208 /nfs/dbraw/zinc/15/72/08/164157208.db2.gz RJBNNXGHXHHFKZ-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccn(C)n2)cc1 ZINC000342420318 409616722 /nfs/dbraw/zinc/61/67/22/409616722.db2.gz KMMAPUWKSVCRIJ-SNVBAGLBSA-N -2 0 323.374 1.799 20 0 DDADRL CC[C@H](C)[C@H](NS(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)[O-] ZINC000298875701 410432301 /nfs/dbraw/zinc/43/23/01/410432301.db2.gz XOHFYJYAIDESCO-XPUUQOCRSA-N -2 0 323.802 1.160 20 0 DDADRL CCCN(CC(=O)[O-])C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000562039039 421341346 /nfs/dbraw/zinc/34/13/46/421341346.db2.gz NCRYIVNRHYNUHD-UHFFFAOYSA-N -2 0 321.308 1.654 20 0 DDADRL CCn1cncc1S(=O)(=O)[N-]c1ccc(C)c(C(=O)[O-])c1 ZINC000547557402 421342914 /nfs/dbraw/zinc/34/29/14/421342914.db2.gz NPTXBQTUPJKIBF-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)NCCCC(=O)[O-] ZINC000517367460 421610056 /nfs/dbraw/zinc/61/00/56/421610056.db2.gz MJQNIIFHGVIVFH-UHFFFAOYSA-N -2 0 324.362 1.403 20 0 DDADRL Cn1ncc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1C(=O)[O-] ZINC000539842034 421755704 /nfs/dbraw/zinc/75/57/04/421755704.db2.gz PLWCGSWVJUWKFW-UHFFFAOYSA-N -2 0 321.358 1.408 20 0 DDADRL Cc1nn(C)c(C)c1-c1cc(=O)n(-c2cccc(C(=O)[O-])c2)[n-]1 ZINC000634598865 422500309 /nfs/dbraw/zinc/50/03/09/422500309.db2.gz USMJSFAEBSTYML-UHFFFAOYSA-N -2 0 312.329 1.876 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnc(C)n1C ZINC000629289450 422587158 /nfs/dbraw/zinc/58/71/58/422587158.db2.gz HMDPNEUGJZIJDF-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL CCCCc1n[n-]c(=NC(=O)NC[C@H](C(=O)[O-])C(C)C)s1 ZINC000653534570 423515820 /nfs/dbraw/zinc/51/58/20/423515820.db2.gz RMEGAPJESBIUEG-VIFPVBQESA-N -2 0 314.411 1.781 20 0 DDADRL CCC(CC)(CNC(=O)NC[C@H](C(=O)[O-])C(C)C)C(=O)[O-] ZINC000655878475 424690272 /nfs/dbraw/zinc/69/02/72/424690272.db2.gz CLTJUGMBRKFFPI-JTQLQIEISA-N -2 0 302.371 1.533 20 0 DDADRL C[C@@H](CNC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)C(=O)[O-] ZINC000655883027 424691094 /nfs/dbraw/zinc/69/10/94/424691094.db2.gz SPTDYBNSICMDQX-BONVTDFDSA-N -2 0 308.334 1.049 20 0 DDADRL C[C@@H]1CCN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C[C@@H]1C(=O)[O-] ZINC000665316793 424781754 /nfs/dbraw/zinc/78/17/54/424781754.db2.gz NNFASLAYOROHIR-JLLWLGSASA-N -2 0 312.366 1.240 20 0 DDADRL CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000516181815 302785865 /nfs/dbraw/zinc/78/58/65/302785865.db2.gz XMUQSXLTNIYNPQ-SFYZADRCSA-N -2 0 323.399 1.984 20 0 DDADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccnn1C ZINC000547872237 303557263 /nfs/dbraw/zinc/55/72/63/303557263.db2.gz XORJQXHMQKLHTE-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL COCC1(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000575985577 308284860 /nfs/dbraw/zinc/28/48/60/308284860.db2.gz SSZNCRBNLWPEAD-UHFFFAOYSA-N -2 0 319.766 1.959 20 0 DDADRL Cc1n[n-]c(=NC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)s1 ZINC000582353533 326016857 /nfs/dbraw/zinc/01/68/57/326016857.db2.gz DTRFGYFDIJOZDX-JTQLQIEISA-N -2 0 324.337 1.663 20 0 DDADRL CCn1nccc1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1 ZINC000507565199 484259040 /nfs/dbraw/zinc/25/90/40/484259040.db2.gz IYQNVNQYIKLUBX-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL CC(C)(C(=O)[O-])n1cc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)cn1 ZINC000663128169 484690389 /nfs/dbraw/zinc/69/03/89/484690389.db2.gz FVOUOOOTKGRLHF-CQSZACIVSA-N -2 0 309.322 1.142 20 0 DDADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)C2(C(=O)[O-])CC=CC2)n1 ZINC000663139476 484698233 /nfs/dbraw/zinc/69/82/33/484698233.db2.gz GHQTZPUGNDLXME-UHFFFAOYSA-N -2 0 307.306 1.062 20 0 DDADRL COCCN(CC(=O)[O-])C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000739824872 596983600 /nfs/dbraw/zinc/98/36/00/596983600.db2.gz HXEGJQXRQPFFQY-UHFFFAOYSA-N -2 0 322.144 1.872 20 0 DDADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000821544715 598160139 /nfs/dbraw/zinc/16/01/39/598160139.db2.gz VOLXERWHCJASFU-UHFFFAOYSA-N -2 0 323.301 1.643 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000739545666 599729895 /nfs/dbraw/zinc/72/98/95/599729895.db2.gz ABWZOPBLKRKZHS-QWHCGFSZSA-N -2 0 321.354 1.140 20 0 DDADRL CCCCS(=O)(=O)[N-]C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736999770 600099332 /nfs/dbraw/zinc/09/93/32/600099332.db2.gz IEDQMCAHKHZYSI-UHFFFAOYSA-N -2 0 313.375 1.564 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ncn(C)c2Cl)c(C(=O)[O-])[nH]1 ZINC000738464013 600176986 /nfs/dbraw/zinc/17/69/86/600176986.db2.gz VEVYZTPYIYMMEU-UHFFFAOYSA-N -2 0 318.742 1.209 20 0 DDADRL CCSCc1ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1 ZINC000737231795 600178212 /nfs/dbraw/zinc/17/82/12/600178212.db2.gz SVAHWKKQIDBFOM-UHFFFAOYSA-N -2 0 317.388 1.084 20 0 DDADRL CC(C)(C)/C=C/C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736251017 600272741 /nfs/dbraw/zinc/27/27/41/600272741.db2.gz LIFLASWDVNORNI-VOTSOKGWSA-N -2 0 317.388 1.854 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c(F)c1 ZINC000404966706 600529794 /nfs/dbraw/zinc/52/97/94/600529794.db2.gz JMAIZOASGSCKHQ-UHFFFAOYSA-N -2 0 313.310 1.216 20 0 DDADRL O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000391970671 600874990 /nfs/dbraw/zinc/87/49/90/600874990.db2.gz XTRQFQOLXVCPSK-MNOVXSKESA-N -2 0 315.333 1.696 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)nc1 ZINC000832419257 600985795 /nfs/dbraw/zinc/98/57/95/600985795.db2.gz FJMRGTXWBVYBFU-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL COc1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000832632321 601229426 /nfs/dbraw/zinc/22/94/26/601229426.db2.gz GTSWVEJEMIJLKU-UHFFFAOYSA-N -2 0 312.303 1.491 20 0 DDADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1C(=O)[O-] ZINC000833030158 601231746 /nfs/dbraw/zinc/23/17/46/601231746.db2.gz SKHZDYOMDLTZCF-UHFFFAOYSA-N -2 0 324.314 1.186 20 0 DDADRL O=C([O-])[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2)C1 ZINC000833185855 601235299 /nfs/dbraw/zinc/23/52/99/601235299.db2.gz ZDBMTOZZMJJJPN-QWRGUYRKSA-N -2 0 311.359 1.383 20 0 DDADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000832654577 601334049 /nfs/dbraw/zinc/33/40/49/601334049.db2.gz RQSSPIGDASXLTL-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C2CC2)cc1 ZINC000833315269 601364280 /nfs/dbraw/zinc/36/42/80/601364280.db2.gz PZYDQEUFZCFPHR-OLZOCXBDSA-N -2 0 323.370 1.377 20 0 DDADRL O=C([O-])CCCNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000819460080 601385527 /nfs/dbraw/zinc/38/55/27/601385527.db2.gz XNDKJKNLDVWFGQ-UHFFFAOYSA-N -2 0 307.281 1.312 20 0 DDADRL O=C([O-])[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)C2CCCC2)C1 ZINC000833185145 601599669 /nfs/dbraw/zinc/59/96/69/601599669.db2.gz VMXSWCWHFRSKNJ-ZJUUUORDSA-N -2 0 303.380 1.266 20 0 DDADRL CC(C)c1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])no1 ZINC000827112385 601769192 /nfs/dbraw/zinc/76/91/92/601769192.db2.gz GLVCAHAKGYGWOC-UHFFFAOYSA-N -2 0 317.348 1.754 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cc(Cl)ccn1 ZINC000833345517 601769599 /nfs/dbraw/zinc/76/95/99/601769599.db2.gz UOXZVXVOUJSWGP-UHFFFAOYSA-N -2 0 319.751 1.691 20 0 DDADRL O=C([O-])N1[C@H](C(=O)[N-]O[C@@H]2CCCCO2)C[C@@H]2CCCC[C@@H]21 ZINC000740458295 601947670 /nfs/dbraw/zinc/94/76/70/601947670.db2.gz UUGRHIXTHBOIME-ZDEQEGDKSA-N -2 0 312.366 1.872 20 0 DDADRL COc1ccsc1S(=O)(=O)[N-]c1cc(C)[nH]c1C(=O)[O-] ZINC000832643221 602114713 /nfs/dbraw/zinc/11/47/13/602114713.db2.gz VRDJNEBWGRDOTF-UHFFFAOYSA-N -2 0 316.360 1.892 20 0 DDADRL CCCc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n[nH]1 ZINC000228328062 602305237 /nfs/dbraw/zinc/30/52/37/602305237.db2.gz NPJSMFJIUOCVAM-UHFFFAOYSA-N -2 0 309.347 1.861 20 0 DDADRL CCN(CCNC(=O)c1ccc2[n-]c(=S)oc2c1)C(=O)[O-] ZINC000739434202 603138252 /nfs/dbraw/zinc/13/82/52/603138252.db2.gz LTUMCNGBVYWDSG-UHFFFAOYSA-N -2 0 309.347 1.846 20 0 DDADRL C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000833408877 604880579 /nfs/dbraw/zinc/88/05/79/604880579.db2.gz YLFACFHAWYOFLF-ZCFIWIBFSA-N -2 0 321.738 1.132 20 0 DDADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)c1 ZINC000833513529 605167147 /nfs/dbraw/zinc/16/71/47/605167147.db2.gz NKLYFAMBEXFQPH-UHFFFAOYSA-N -2 0 310.335 1.358 20 0 DDADRL C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)c1c([O-])cc(F)cc1F ZINC000825831193 605360380 /nfs/dbraw/zinc/36/03/80/605360380.db2.gz KISVKMWCTKQQGO-VXNVDRBHSA-N -2 0 314.288 1.931 20 0 DDADRL CC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000833637591 605680223 /nfs/dbraw/zinc/68/02/23/605680223.db2.gz FXFMLHYQWACRTD-ZJUUUORDSA-N -2 0 313.375 1.872 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)[N-]N2Cc3ccccc3C2=O)o1 ZINC000834248542 605936108 /nfs/dbraw/zinc/93/61/08/605936108.db2.gz GCYWYZXRDFZDIF-UHFFFAOYSA-N -2 0 315.285 1.348 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000834168803 606028179 /nfs/dbraw/zinc/02/81/79/606028179.db2.gz IETTWSZRZKUSHR-NWDGAFQWSA-N -2 0 306.318 1.437 20 0 DDADRL O=C([O-])CC1CCN(C(=O)c2ccc(CNC(=O)[O-])o2)CC1 ZINC000834060689 606036404 /nfs/dbraw/zinc/03/64/04/606036404.db2.gz IZUGZZBYSVVVCL-UHFFFAOYSA-N -2 0 310.306 1.374 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)o1 ZINC000834248630 606036789 /nfs/dbraw/zinc/03/67/89/606036789.db2.gz GXFUSNLOXHZVLQ-UHFFFAOYSA-N -2 0 304.258 1.998 20 0 DDADRL O=C([O-])CN(C(=O)c1ccc(NC(=O)[O-])cc1)C1CCOCC1 ZINC000834065337 606052193 /nfs/dbraw/zinc/05/21/93/606052193.db2.gz KTOWGEYJKHBFTH-UHFFFAOYSA-N -2 0 322.317 1.482 20 0 DDADRL O=C([O-])c1cc(Cl)cc(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000834283627 606064464 /nfs/dbraw/zinc/06/44/64/606064464.db2.gz RVKJVBXYSYVESU-SSDOTTSWSA-N -2 0 312.709 1.977 20 0 DDADRL O=C([O-])C[C@H](NC(=O)CNC(=O)[O-])c1cccc(Cl)c1 ZINC000834061654 606069445 /nfs/dbraw/zinc/06/94/45/606069445.db2.gz XRQRBHJUCGOMSX-VIFPVBQESA-N -2 0 300.698 1.240 20 0 DDADRL O=C(N=c1cn[n-]s1)NNC(=O)c1ccc(Cl)cc1F ZINC000192369458 697627100 /nfs/dbraw/zinc/62/71/00/697627100.db2.gz AEWDLFNMBOPHLV-UHFFFAOYSA-N -2 0 315.717 1.797 20 0 DDADRL O=C([N-]C[C@H]([N-]C(=O)C(F)(F)F)C1CCCC1)C(F)(F)F ZINC000768302976 701168158 /nfs/dbraw/zinc/16/81/58/701168158.db2.gz KQGPIUKZSDWXSS-ZETCQYMHSA-N -2 0 320.233 1.902 20 0 DDADRL CC[C@]1(C)NC(=O)N([N-]C(=O)c2cccc(Cl)c2[O-])C1=O ZINC000813545795 702371005 /nfs/dbraw/zinc/37/10/05/702371005.db2.gz AJAQUXOCAISWBG-ZDUSSCGKSA-N -2 0 311.725 1.411 20 0 DDADRL COc1ccc([C@@H](CCC(=O)[O-])NS(=O)(=O)C(F)F)cc1 ZINC000817419452 702375998 /nfs/dbraw/zinc/37/59/98/702375998.db2.gz AVMSBGYYXUMRFP-SNVBAGLBSA-N -2 0 323.317 1.743 20 0 DDADRL CC[C@H](C)CO[N-]C(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000817880700 702507558 /nfs/dbraw/zinc/50/75/58/702507558.db2.gz CPDZIYBKAGCYCC-NSHDSACASA-N -2 0 322.361 1.736 20 0 DDADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000863952372 706045011 /nfs/dbraw/zinc/04/50/11/706045011.db2.gz UKCZNBPMTZACBD-MRVPVSSYSA-N -2 0 323.779 1.317 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000863954349 706045363 /nfs/dbraw/zinc/04/53/63/706045363.db2.gz ADAZBQCTPFQQOV-ZDUSSCGKSA-N -2 0 305.396 1.370 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000863954911 706045773 /nfs/dbraw/zinc/04/57/73/706045773.db2.gz RJJXKSPKXOXXAW-JQWIXIFHSA-N -2 0 319.423 1.760 20 0 DDADRL Cc1ccsc1S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000863961014 706046967 /nfs/dbraw/zinc/04/69/67/706046967.db2.gz DDEYZENXJUFUFP-MRVPVSSYSA-N -2 0 319.404 1.608 20 0 DDADRL O=C([O-])CC1(C(=O)[N-]S(=O)(=O)CCC2CCCC2)CCC1 ZINC000863963300 706047527 /nfs/dbraw/zinc/04/75/27/706047527.db2.gz RERDMZUJCPXIFL-UHFFFAOYSA-N -2 0 317.407 1.658 20 0 DDADRL Cc1cc(C)c(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])s1 ZINC000863963632 706047558 /nfs/dbraw/zinc/04/75/58/706047558.db2.gz CLSGOTJDVBMQIQ-UHFFFAOYSA-N -2 0 319.404 1.815 20 0 DDADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)[C@H]1CC2CCC1CC2 ZINC000863964560 706047886 /nfs/dbraw/zinc/04/78/86/706047886.db2.gz WJPMJLJOMDFJNK-MCIGGMRASA-N -2 0 317.407 1.656 20 0 DDADRL O=C([O-])c1ccoc1S(=O)(=O)NCC1(c2ccccc2)CC1 ZINC000871994172 707273019 /nfs/dbraw/zinc/27/30/19/707273019.db2.gz WNFSTUOZVGEXJW-UHFFFAOYSA-N -2 0 321.354 1.988 20 0 DDADRL O=C([O-])[C@]1(NC(=O)c2cc(F)c([O-])c(Cl)c2)CCSC1 ZINC000909359843 713000188 /nfs/dbraw/zinc/00/01/88/713000188.db2.gz YEFZSXDZZXSJTG-LBPRGKRZSA-N -2 0 319.741 1.875 20 0 DDADRL CCc1ccccc1CC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910185015 709801455 /nfs/dbraw/zinc/80/14/55/709801455.db2.gz UEUWYWSYTOKQOT-ZIAGYGMSSA-N -2 0 319.357 1.568 20 0 DDADRL CCc1ccc(F)cc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910185460 709802036 /nfs/dbraw/zinc/80/20/36/709802036.db2.gz ZVUBNYSLSJUMMP-GWCFXTLKSA-N -2 0 323.320 1.778 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCc2ccccc2)C1 ZINC000910186926 709802403 /nfs/dbraw/zinc/80/24/03/709802403.db2.gz XTUSRQOOESXOTH-STQMWFEESA-N -2 0 305.330 1.396 20 0 DDADRL C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])n1cccc1 ZINC000910188603 709803734 /nfs/dbraw/zinc/80/37/34/709803734.db2.gz MUXLUSPPRQAHTP-GRYCIOLGSA-N -2 0 308.334 1.216 20 0 DDADRL CCc1ccc(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC000910189315 709804263 /nfs/dbraw/zinc/80/42/63/709804263.db2.gz SBKAYURREPYZIR-UONOGXRCSA-N -2 0 319.357 1.568 20 0 DDADRL CCCC[C@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)C(=O)[O-] ZINC000917718333 713511239 /nfs/dbraw/zinc/51/12/39/713511239.db2.gz SXCPYZAQVDRSIS-QMMMGPOBSA-N -2 0 321.376 1.368 20 0 DDADRL Cc1c(Cl)cccc1NC(=O)NCCOP(=O)([O-])[O-] ZINC001184697254 744082314 /nfs/dbraw/zinc/08/23/14/744082314.db2.gz JMIPDKIPJFHFEP-UHFFFAOYSA-N -2 0 308.658 1.879 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nccnc1C ZINC001185870855 744296330 /nfs/dbraw/zinc/29/63/30/744296330.db2.gz DCJFYDVGZLXBBE-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL Cc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1C ZINC001185879968 744307824 /nfs/dbraw/zinc/30/78/24/744307824.db2.gz XHNAHMSHCMHLAF-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccno2)ccc1Cl ZINC001188276842 744684955 /nfs/dbraw/zinc/68/49/55/744684955.db2.gz MZSMMJMENVHXPC-UHFFFAOYSA-N -2 0 302.695 1.827 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1ccc(-c2ccccc2)[nH]1 ZINC001189027169 744820006 /nfs/dbraw/zinc/82/00/06/744820006.db2.gz JWFOIJWCVWSGOK-UHFFFAOYSA-N -2 0 310.246 1.521 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1noc2nccnc12 ZINC001198739769 747585462 /nfs/dbraw/zinc/58/54/62/747585462.db2.gz ZKARYNIOKMZHNC-UHFFFAOYSA-N -2 0 320.286 1.117 20 0 DDADRL COC(=O)CCCS(=O)(=O)[N-]c1ncc(Cl)cc1[O-] ZINC001201905089 748634635 /nfs/dbraw/zinc/63/46/35/748634635.db2.gz FRKBIVWPZVKUMG-UHFFFAOYSA-N -2 0 308.743 1.136 20 0 DDADRL COC(=O)c1ccc(OC)c(NCCOP(=O)([O-])[O-])c1F ZINC001168591820 751221905 /nfs/dbraw/zinc/22/19/05/751221905.db2.gz ZBLFRRDSFXIZNG-UHFFFAOYSA-N -2 0 323.213 1.142 20 0 DDADRL CCn1nnc2c1ccc(NCCOP(=O)([O-])[O-])c2C ZINC001168596735 751272994 /nfs/dbraw/zinc/27/29/94/751272994.db2.gz YUPZWCIJKXSEHW-UHFFFAOYSA-N -2 0 300.255 1.281 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cccc3c2CCC3)C1 ZINC000828470945 759662479 /nfs/dbraw/zinc/66/24/79/759662479.db2.gz XJDDLBHGJMGINX-BXUZGUMPSA-N -2 0 317.341 1.565 20 0 DDADRL O=C([O-])C1(C(=O)Nc2n[nH]c(C(F)(F)F)n2)CCCCC1 ZINC001180434581 779759765 /nfs/dbraw/zinc/75/97/65/779759765.db2.gz LKNQLAYLSCYZEC-UHFFFAOYSA-N -2 0 306.244 1.797 20 0 DDADRL CCCN(CCC)c1cc(NCCOP(=O)([O-])[O-])ncn1 ZINC001157790761 864143826 /nfs/dbraw/zinc/14/38/26/864143826.db2.gz FUXDPJZWQNAHDP-UHFFFAOYSA-N -2 0 318.314 1.624 20 0 DDADRL O=C([O-])C[C@@H](C(=O)Oc1cccc(C(F)F)c1)[C@@H](O)C(=O)[O-] ZINC001225544315 881897884 /nfs/dbraw/zinc/89/78/84/881897884.db2.gz SKUAUWBFXDJJPY-PSASIEDQSA-N -2 0 318.228 1.066 20 0 DDADRL COC(=O)[C@@H]1CCC[C@@H]1Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234331058 887869381 /nfs/dbraw/zinc/86/93/81/887869381.db2.gz BIENCXNUALNATJ-NEPJUHHUSA-N -2 0 316.246 1.879 20 0 DDADRL CCOC(=O)[C@H]1C[C@@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234336286 887880393 /nfs/dbraw/zinc/88/03/93/887880393.db2.gz RETXMXDFRNZVNZ-WVSHTKLVSA-N -2 0 316.246 1.879 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2nccc3c2NC(=O)CO3)c1 ZINC001242159077 891354391 /nfs/dbraw/zinc/35/43/91/891354391.db2.gz FOWFXRFZNYRBSJ-UHFFFAOYSA-N -2 0 314.253 1.476 20 0 DDADRL CC(=O)[N-]S(=O)(=O)c1ccc(-c2cccc([S-])c2)nc1 ZINC001242864288 891540337 /nfs/dbraw/zinc/54/03/37/891540337.db2.gz IXETYHFPHYLAAH-UHFFFAOYSA-N -2 0 308.384 1.862 20 0 DDADRL O=c1[nH]cnc([O-])c1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC001259074279 898453207 /nfs/dbraw/zinc/45/32/07/898453207.db2.gz AAMLVDCVNQAYSR-UHFFFAOYSA-N -2 0 321.236 1.106 20 0 DDADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ncccc2F)c1 ZINC001260209126 899091769 /nfs/dbraw/zinc/09/17/69/899091769.db2.gz JCKLHHSTROLQST-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL O=S(=O)([N-]c1nnco1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260866523 899286422 /nfs/dbraw/zinc/28/64/22/899286422.db2.gz AFWOXVLIJDSBRQ-UHFFFAOYSA-N -2 0 310.118 1.883 20 0 DDADRL O=C([O-])[C@@H]1CCCCCC[C@H]1[N-]S(=O)(=O)CC(F)(F)F ZINC000564925497 304026852 /nfs/dbraw/zinc/02/68/52/304026852.db2.gz ACFASLUZFIJGPV-RKDXNWHRSA-N -2 0 317.329 1.892 20 0 DDADRL CC(C)n1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1 ZINC000281257679 216192039 /nfs/dbraw/zinc/19/20/39/216192039.db2.gz WHIHPYVISSCKKY-UHFFFAOYSA-N -2 0 312.351 1.302 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000566234277 304131469 /nfs/dbraw/zinc/13/14/69/304131469.db2.gz GLWQMIOGXGRQMY-HIFRSBDPSA-N -2 0 321.373 1.936 20 0 DDADRL COc1cncc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000337185939 249381198 /nfs/dbraw/zinc/38/11/98/249381198.db2.gz ONMASDMGBHDBIP-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL COCCS(=O)(=O)Nc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000125487122 407389742 /nfs/dbraw/zinc/38/97/42/407389742.db2.gz RGRCQXQJPMALCV-SNVBAGLBSA-N -2 0 301.364 1.653 20 0 DDADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1ccoc1)OCO2 ZINC000349104956 409694933 /nfs/dbraw/zinc/69/49/33/409694933.db2.gz GPROAWUPZRJOSR-UHFFFAOYSA-N -2 0 311.271 1.507 20 0 DDADRL Cc1cc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)ccc1O ZINC000356992151 409773169 /nfs/dbraw/zinc/77/31/69/409773169.db2.gz DQXIQYASUKYGHY-UHFFFAOYSA-N -2 0 311.301 1.634 20 0 DDADRL CC[C@@H](C)Oc1ccc(C(=O)N=c2ncn(CC(=O)[O-])[n-]2)cc1 ZINC000647780795 423045592 /nfs/dbraw/zinc/04/55/92/423045592.db2.gz OBAHEIWVDQCBSO-SNVBAGLBSA-N -2 0 318.333 1.214 20 0 DDADRL Cc1cccc(S(=O)(=O)NC[C@H](CC2CC2)C(=O)[O-])c1F ZINC000405364420 418775176 /nfs/dbraw/zinc/77/51/76/418775176.db2.gz VTARKNHVJCMNJH-NSHDSACASA-N -2 0 315.366 1.913 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@]1(C(=O)[O-])CCC(C)(C)C1 ZINC000560421955 421260836 /nfs/dbraw/zinc/26/08/36/421260836.db2.gz UUXSCDQBCWVWSA-GMSGAONNSA-N -2 0 317.329 1.890 20 0 DDADRL O=S(=O)(CCOCC1CC1)[N-]c1ccc(F)c(F)c1[O-] ZINC000520566274 421755809 /nfs/dbraw/zinc/75/58/09/421755809.db2.gz NJXRBNGSJUSJRM-UHFFFAOYSA-N -2 0 307.318 1.839 20 0 DDADRL O=C([O-])[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2[O-])C1 ZINC000630443481 422106364 /nfs/dbraw/zinc/10/63/64/422106364.db2.gz XTXGZNOGLKKQSZ-QMMMGPOBSA-N -2 0 319.766 1.531 20 0 DDADRL C[C@H]1CN(S(=O)(=O)c2cc([O-])cc(F)c2)CC[C@@H]1C(=O)[O-] ZINC000630447566 422108223 /nfs/dbraw/zinc/10/82/23/422108223.db2.gz SMLBDTHXNIDBHX-UFBFGSQYSA-N -2 0 317.338 1.263 20 0 DDADRL COCc1nc(=NC[C@](C)(C(=O)[O-])c2ccccc2)s[n-]1 ZINC000650777078 423255594 /nfs/dbraw/zinc/25/55/94/423255594.db2.gz SLXIFTODVIIDLP-AWEZNQCLSA-N -2 0 307.375 1.561 20 0 DDADRL C[C@](CNC(=O)NCCCC(=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000652097919 423856421 /nfs/dbraw/zinc/85/64/21/423856421.db2.gz YWUFVCMGVYEDCF-OAHLLOKOSA-N -2 0 308.334 1.193 20 0 DDADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000356494725 298806571 /nfs/dbraw/zinc/80/65/71/298806571.db2.gz BBXVFEHTCDHGRD-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL C[C@@H](C[C@@H]1CCCO1)NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000582358396 326018040 /nfs/dbraw/zinc/01/80/40/326018040.db2.gz UTAJLXUKIOPHCS-WPRPVWTQSA-N -2 0 319.404 1.682 20 0 DDADRL O=C([O-])c1c(-c2cc(C(=O)[O-])ccc2CO)nc2n1CCCC2 ZINC000514614961 484259315 /nfs/dbraw/zinc/25/93/15/484259315.db2.gz MVOFACARYSETCN-UHFFFAOYSA-N -2 0 316.313 1.775 20 0 DDADRL CC(C)C[C@@H](CNC(=O)NCCC(C)(C)C(=O)[O-])C(=O)[O-] ZINC000424409172 528322532 /nfs/dbraw/zinc/32/25/32/528322532.db2.gz WULCMDOTMPONRD-JTQLQIEISA-N -2 0 302.371 1.533 20 0 DDADRL O=C([O-])c1ccc(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)cc1 ZINC000821544554 598160688 /nfs/dbraw/zinc/16/06/88/598160688.db2.gz DDLIIEYSHRYPDU-ZDUSSCGKSA-N -2 0 323.312 1.417 20 0 DDADRL O=C([O-])CCCCNC(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000821519487 598170736 /nfs/dbraw/zinc/17/07/36/598170736.db2.gz SUMXSQKVPIAUDN-UHFFFAOYSA-N -2 0 321.358 1.609 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])s1 ZINC000736899363 600242953 /nfs/dbraw/zinc/24/29/53/600242953.db2.gz IRFXSYOIPILFGX-UHFFFAOYSA-N -2 0 305.377 1.695 20 0 DDADRL CCC/C=C/C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736974094 600273339 /nfs/dbraw/zinc/27/33/39/600273339.db2.gz LLAOUUDWXXCYQR-SNAWJCMRSA-N -2 0 311.359 1.687 20 0 DDADRL CN(Cc1ccc([N-]S(=O)(=O)c2ccn(C)n2)cc1)C(=O)[O-] ZINC000737486189 600300432 /nfs/dbraw/zinc/30/04/32/600300432.db2.gz QWONHCCGBYLMHO-UHFFFAOYSA-N -2 0 324.362 1.331 20 0 DDADRL CCS[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C(C)C ZINC000737231037 600460313 /nfs/dbraw/zinc/46/03/13/600460313.db2.gz YQZBCKRHJDUCDQ-SNVBAGLBSA-N -2 0 311.425 1.075 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n(C)n1 ZINC000830223966 600829506 /nfs/dbraw/zinc/82/95/06/600829506.db2.gz BYLGIBJMBUXQQS-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)c[nH]1 ZINC000037508869 600981932 /nfs/dbraw/zinc/98/19/32/600981932.db2.gz CPHJYBNRJXXURK-UHFFFAOYSA-N -2 0 306.303 1.390 20 0 DDADRL CCn1nc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1C ZINC000737311678 601051321 /nfs/dbraw/zinc/05/13/21/601051321.db2.gz DSLLTPWWHFXQMM-UHFFFAOYSA-N -2 0 313.335 1.612 20 0 DDADRL Cn1nccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000044593617 601358131 /nfs/dbraw/zinc/35/81/31/601358131.db2.gz KRGTZJKPOHOBMR-QPJJXVBHSA-N -2 0 307.331 1.319 20 0 DDADRL O=C([O-])[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000833178165 601364963 /nfs/dbraw/zinc/36/49/63/601364963.db2.gz BOIRUMXJDAYWCK-IUCAKERBSA-N -2 0 317.750 1.007 20 0 DDADRL C[C@H]1CC/C(=C/C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000828200472 601546314 /nfs/dbraw/zinc/54/63/14/601546314.db2.gz GMRQTCFSKSDTMX-DFYQSJSGSA-N -2 0 323.370 1.936 20 0 DDADRL Cc1ccc(NS(=O)(=O)C[C@H](C)C(=O)[O-])cc1C(=O)[O-] ZINC000832951925 601616956 /nfs/dbraw/zinc/61/69/56/601616956.db2.gz OQZKQJXPNLBHPT-QMMMGPOBSA-N -2 0 301.320 1.156 20 0 DDADRL O=C([O-])c1ccc(C(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])cn1 ZINC000833131659 601900476 /nfs/dbraw/zinc/90/04/76/601900476.db2.gz BNJKFWANVXOBLT-NWDGAFQWSA-N -2 0 320.345 1.933 20 0 DDADRL Cn1cnc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1Cl ZINC000833058233 602116504 /nfs/dbraw/zinc/11/65/04/602116504.db2.gz UBDNGNRBZJYVJX-UHFFFAOYSA-N -2 0 321.767 1.634 20 0 DDADRL Cc1[nH]nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1C ZINC000228328929 602211512 /nfs/dbraw/zinc/21/15/12/602211512.db2.gz SLHLMIGFWXKNKM-UHFFFAOYSA-N -2 0 301.349 1.587 20 0 DDADRL Cc1cc(F)c(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-])cc1F ZINC000832887138 602269362 /nfs/dbraw/zinc/26/93/62/602269362.db2.gz BAWCRNOGILDQFJ-ZETCQYMHSA-N -2 0 321.301 1.189 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cn1 ZINC000737302249 602644935 /nfs/dbraw/zinc/64/49/35/602644935.db2.gz AJWIQZOWDAHLLZ-UHFFFAOYSA-N -2 0 310.335 1.794 20 0 DDADRL O=C([O-])NC[C@@H](C(=O)[N-]O[C@@H]1CCCCO1)c1ccccc1 ZINC000832407110 602785743 /nfs/dbraw/zinc/78/57/43/602785743.db2.gz FWYLQAFHBDDHJW-CHWSQXEVSA-N -2 0 308.334 1.612 20 0 DDADRL CCN(CC(=O)[N-]S(=O)(=O)c1cc(C)ccc1C)C(=O)[O-] ZINC000739395561 602865008 /nfs/dbraw/zinc/86/50/08/602865008.db2.gz VFWLVNTVUGJUHT-UHFFFAOYSA-N -2 0 314.363 1.108 20 0 DDADRL CCN(CC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)C(=O)[O-] ZINC000739382120 603377565 /nfs/dbraw/zinc/37/75/65/603377565.db2.gz HGVJJXIAVNZFJY-UHFFFAOYSA-N -2 0 324.362 1.355 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000829833061 603401142 /nfs/dbraw/zinc/40/11/42/603401142.db2.gz FCVIKLOUAPHXAV-QMMMGPOBSA-N -2 0 324.362 1.848 20 0 DDADRL O=C([O-])N1CC[C@H](NC(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000831600369 603781780 /nfs/dbraw/zinc/78/17/80/603781780.db2.gz ZPJOCQPJNAFEFO-QMMMGPOBSA-N -2 0 307.331 1.599 20 0 DDADRL C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000833408267 604880830 /nfs/dbraw/zinc/88/08/30/604880830.db2.gz RHEHFBHDSPYQSV-ZCFIWIBFSA-N -2 0 321.738 1.132 20 0 DDADRL CC(C)C[C@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)C(=O)[O-] ZINC000833485078 604882109 /nfs/dbraw/zinc/88/21/09/604882109.db2.gz YFXWQKDYKBUEEZ-QMMMGPOBSA-N -2 0 321.376 1.224 20 0 DDADRL O=C([O-])N[C@@H](CC(=O)N[C@H](CC1CC1)C(=O)[O-])c1ccccc1 ZINC000834122425 605307390 /nfs/dbraw/zinc/30/73/90/605307390.db2.gz LLVFLXIYFJVYPO-QWHCGFSZSA-N -2 0 320.345 1.755 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)[O-])cc1 ZINC000834065432 605689506 /nfs/dbraw/zinc/68/95/06/605689506.db2.gz MFDIDEYEPRNEHN-LBPRGKRZSA-N -2 0 322.317 1.621 20 0 DDADRL CCN(CCC(=O)[O-])C(=O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000833857754 606047077 /nfs/dbraw/zinc/04/70/77/606047077.db2.gz PYAZSOSZOCQDFZ-LBPRGKRZSA-N -2 0 308.334 1.189 20 0 DDADRL O=C([O-])CC1(NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CCCCC1 ZINC000834059962 606051900 /nfs/dbraw/zinc/05/19/00/606051900.db2.gz DPANXYBCJNISMZ-WDEREUQCSA-N -2 0 312.366 1.717 20 0 DDADRL O=C([O-])CCCCCCNC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000834060936 606056372 /nfs/dbraw/zinc/05/63/72/606056372.db2.gz YGCURMLFQPXXLC-SECBINFHSA-N -2 0 304.368 1.191 20 0 DDADRL O=C([O-])COc1cccc(NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000834066618 606057248 /nfs/dbraw/zinc/05/72/48/606057248.db2.gz UGFWHOAIGGTTED-GXSJLCMTSA-N -2 0 322.317 1.525 20 0 DDADRL C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000833894525 606060055 /nfs/dbraw/zinc/06/00/55/606060055.db2.gz BEIKBMOBIKUFMM-MRVPVSSYSA-N -2 0 312.347 1.599 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000834173595 606065734 /nfs/dbraw/zinc/06/57/34/606065734.db2.gz SMBKNIDOVQASTI-YNEHKIRRSA-N -2 0 320.345 1.407 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000834171027 606066628 /nfs/dbraw/zinc/06/66/28/606066628.db2.gz CHOQKEFNODJLTI-PSASIEDQSA-N -2 0 310.281 1.899 20 0 DDADRL CCCCC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)[O-])C1)C(=O)[O-] ZINC000833852475 606067323 /nfs/dbraw/zinc/06/73/23/606067323.db2.gz DUPFRVZUQWHRFL-GHMZBOCLSA-N -2 0 300.355 1.526 20 0 DDADRL O=C([O-])C[C@H](NC(=O)CCNC(=O)[O-])c1ccc(Cl)cc1 ZINC000834066791 606068262 /nfs/dbraw/zinc/06/82/62/606068262.db2.gz WRVCPDHNORBJOR-JTQLQIEISA-N -2 0 314.725 1.630 20 0 DDADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)NCc2ccon2)c1 ZINC000132049208 696810366 /nfs/dbraw/zinc/81/03/66/696810366.db2.gz LQQISNDWOQBGCG-UHFFFAOYSA-N -2 0 318.257 1.130 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](Cc1ccco1)C(=O)[O-] ZINC000776541700 698114678 /nfs/dbraw/zinc/11/46/78/698114678.db2.gz HSZMXCIOWOCVMZ-XPUUQOCRSA-N -2 0 315.269 1.146 20 0 DDADRL O=C([N-]n1ccccc1=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000807198214 701469331 /nfs/dbraw/zinc/46/93/31/701469331.db2.gz HZDYRCNKENVBPP-UHFFFAOYSA-N -2 0 314.276 1.263 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000863954749 706045762 /nfs/dbraw/zinc/04/57/62/706045762.db2.gz LRJJGYFDLRVMED-AXFHLTTASA-N -2 0 305.396 1.370 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000863954913 706045864 /nfs/dbraw/zinc/04/58/64/706045864.db2.gz RJJXKSPKXOXXAW-ZYHUDNBSSA-N -2 0 319.423 1.760 20 0 DDADRL CCc1ccc(CS(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])cc1 ZINC000863958509 706046529 /nfs/dbraw/zinc/04/65/29/706046529.db2.gz AXQGQRYZIOVIIY-UHFFFAOYSA-N -2 0 313.375 1.306 20 0 DDADRL O=C([O-])[C@H]1COCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000909057586 712927770 /nfs/dbraw/zinc/92/77/70/712927770.db2.gz UJLMPQXKLXCHQM-SECBINFHSA-N -2 0 303.673 1.110 20 0 DDADRL O=C([O-])c1cccc(C(=O)n2[n-]c(C[C@@H]3CCCO3)cc2=O)c1 ZINC000871962473 707257164 /nfs/dbraw/zinc/25/71/64/707257164.db2.gz CIXWCTDXZTVCNN-ZDUSSCGKSA-N -2 0 316.313 1.682 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1CC(=O)[O-] ZINC000837290618 707613121 /nfs/dbraw/zinc/61/31/21/707613121.db2.gz CIESLHUMQURJFA-IWSPIJDZSA-N -2 0 317.329 1.890 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)/C=C\c2ccsc2)C1 ZINC000910181071 709800330 /nfs/dbraw/zinc/80/03/30/709800330.db2.gz BYPXDRCGKLQQEX-QYTOHYMUSA-N -2 0 309.343 1.538 20 0 DDADRL C[C@@H](Cc1ccccc1)C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910185276 709801996 /nfs/dbraw/zinc/80/19/96/709801996.db2.gz WCNJCDVYVSZMSF-IACUBPJLSA-N -2 0 319.357 1.642 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(F)ccc1F ZINC000910186610 709802526 /nfs/dbraw/zinc/80/25/26/709802526.db2.gz SITPOSXRWBVXRS-WRWORJQWSA-N -2 0 313.256 1.355 20 0 DDADRL O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000911636054 710894469 /nfs/dbraw/zinc/89/44/69/710894469.db2.gz MGFJTESLSYWHOB-UWVGGRQHSA-N -2 0 317.700 1.235 20 0 DDADRL C[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2[O-])[C@@H]1C(=O)[O-] ZINC000906788737 712411836 /nfs/dbraw/zinc/41/18/36/712411836.db2.gz MGAXYRHWDBBNOI-XCBNKYQSSA-N -2 0 319.766 1.529 20 0 DDADRL COc1ccc(N)cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC001210969643 733354161 /nfs/dbraw/zinc/35/41/61/733354161.db2.gz USWDVCQLZKSYOC-UHFFFAOYSA-N -2 0 322.342 1.776 20 0 DDADRL Cc1cnc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cn1 ZINC001184653624 744078566 /nfs/dbraw/zinc/07/85/66/744078566.db2.gz ORUIBZUDVLAEHL-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cscn2)ccc1F ZINC001186144163 744350032 /nfs/dbraw/zinc/35/00/32/744350032.db2.gz ORWIRSWKUBYKGR-UHFFFAOYSA-N -2 0 302.308 1.781 20 0 DDADRL CC(C)c1nnc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])o1 ZINC001198730314 747582604 /nfs/dbraw/zinc/58/26/04/747582604.db2.gz LCWJBQKWVFHRAI-UHFFFAOYSA-N -2 0 311.319 1.692 20 0 DDADRL Cc1nc(-c2cccnc2)nc(NCCOP(=O)([O-])[O-])c1C ZINC001168589323 751200726 /nfs/dbraw/zinc/20/07/26/751200726.db2.gz GOMHQGKVJGTTKG-UHFFFAOYSA-N -2 0 324.277 1.677 20 0 DDADRL CN(c1ccccc1)c1cc(NCCOP(=O)([O-])[O-])ncn1 ZINC001168589647 751203746 /nfs/dbraw/zinc/20/37/46/751203746.db2.gz LGARDXDKLWTPRL-UHFFFAOYSA-N -2 0 324.277 1.766 20 0 DDADRL O=C(NCS(=O)(=O)[O-])c1cc(Cl)cc(Cl)c1[O-] ZINC001148811818 773608143 /nfs/dbraw/zinc/60/81/43/773608143.db2.gz MLFZGRRBUNLJKE-UHFFFAOYSA-N -2 0 300.119 1.274 20 0 DDADRL Cc1ccc(O)c(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])n1 ZINC001148915248 773633074 /nfs/dbraw/zinc/63/30/74/773633074.db2.gz NHJQIIDZEGSGOK-UHFFFAOYSA-N -2 0 324.314 1.300 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)cc1N ZINC001175841618 777923758 /nfs/dbraw/zinc/92/37/58/777923758.db2.gz OAEAHXMVHKASHA-UHFFFAOYSA-N -2 0 307.331 1.471 20 0 DDADRL Cc1ccc(CC(=O)NCCCC[P@@](=O)([O-])O)cc1F ZINC001179939598 779545929 /nfs/dbraw/zinc/54/59/29/779545929.db2.gz KZLRVWATPVAYNQ-UHFFFAOYSA-N -2 0 303.270 1.751 20 0 DDADRL CCS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)C(C)C)c1 ZINC001252407024 851560909 /nfs/dbraw/zinc/56/09/09/851560909.db2.gz QHQNAXUWZDJFQL-UHFFFAOYSA-N -2 0 307.393 1.336 20 0 DDADRL CC(C)=CCC/C(C)=C/COC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001224614740 881471110 /nfs/dbraw/zinc/47/11/10/881471110.db2.gz FETZRKHVQGQSJL-YTRUQHMWSA-N -2 0 322.294 1.693 20 0 DDADRL O=C([O-])C[C@H](C(=O)OCCC1CCCCC1)[C@@H](O)C(=O)[O-] ZINC001206041297 872010051 /nfs/dbraw/zinc/01/00/51/872010051.db2.gz LQBCDNSZEJPDJC-CMPLNLGQSA-N -2 0 302.323 1.036 20 0 DDADRL CCOc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1C(=O)[O-] ZINC000314178843 878616024 /nfs/dbraw/zinc/61/60/24/878616024.db2.gz WMARNQREPXJRAD-UHFFFAOYSA-N -2 0 323.330 1.374 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2nc(F)nc3[nH]cnc32)c1 ZINC001242159245 891354187 /nfs/dbraw/zinc/35/41/87/891354187.db2.gz FNFGOTXIRSYHSJ-UHFFFAOYSA-N -2 0 302.221 1.507 20 0 DDADRL Cn1c(=O)cnc2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc21 ZINC001242162232 891356045 /nfs/dbraw/zinc/35/60/45/891356045.db2.gz RHMUYWREULZHBV-UHFFFAOYSA-N -2 0 324.292 1.997 20 0 DDADRL O=P([O-])([O-])c1ccc(-c2cc(F)c(CO)c(F)c2)cc1 ZINC001244343799 891839925 /nfs/dbraw/zinc/83/99/25/891839925.db2.gz RWRRINSQZPOOIG-UHFFFAOYSA-N -2 0 300.197 1.927 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccno2)c(F)cc1Cl ZINC001259213445 898539833 /nfs/dbraw/zinc/53/98/33/898539833.db2.gz UFIHDEBOYZUPNP-UHFFFAOYSA-N -2 0 320.685 1.966 20 0 DDADRL CCc1nccnc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184037 899075948 /nfs/dbraw/zinc/07/59/48/899075948.db2.gz ORDBHCPBASTSMC-UHFFFAOYSA-N -2 0 307.331 1.538 20 0 DDADRL COc1cncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1C ZINC001260221822 899096496 /nfs/dbraw/zinc/09/64/96/899096496.db2.gz VJOSMTOVSNQWPN-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL CC(C)(C)c1n[n-]c(=NC(=O)c2ccc(C(=O)[O-])cn2)s1 ZINC000615152542 362175786 /nfs/dbraw/zinc/17/57/86/362175786.db2.gz BTZRMTOMJHEZBM-UHFFFAOYSA-N -2 0 306.347 1.603 20 0 DDADRL CCc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cn1 ZINC000447005868 529759003 /nfs/dbraw/zinc/75/90/03/529759003.db2.gz IXKXMIFBPNVCBU-UHFFFAOYSA-N -2 0 313.360 1.600 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)c[nH]1 ZINC000070069619 190854697 /nfs/dbraw/zinc/85/46/97/190854697.db2.gz GPLGMRWQAAPHLZ-UHFFFAOYSA-N -2 0 317.273 1.495 20 0 DDADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1 ZINC000358561851 299197782 /nfs/dbraw/zinc/19/77/82/299197782.db2.gz ARFDDQVBYHSLTD-UHFFFAOYSA-N -2 0 321.358 1.780 20 0 DDADRL CC(C)(C)OC(=O)[C@]1(C(=O)N=c2ccc(=O)[nH][nH]2)CC1(C)C ZINC000598833498 357739277 /nfs/dbraw/zinc/73/92/77/357739277.db2.gz XXMFYFLWSZVEBI-OAHLLOKOSA-N -2 0 307.350 1.301 20 0 DDADRL O=c1[n-]nnn1-c1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC000350800475 284262212 /nfs/dbraw/zinc/26/22/12/284262212.db2.gz FSTRURMAZOBJIP-UHFFFAOYSA-N -2 0 323.359 1.230 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cn1 ZINC000350804153 284263050 /nfs/dbraw/zinc/26/30/50/284263050.db2.gz WXMSIFGADOYCCT-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL Cc1cc(C(=O)N(C)c2ccccc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000151545440 248295086 /nfs/dbraw/zinc/29/50/86/248295086.db2.gz XJYKPOMBXOPXKA-UHFFFAOYSA-N -2 0 310.313 1.609 20 0 DDADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(C)n1 ZINC000109419362 194261768 /nfs/dbraw/zinc/26/17/68/194261768.db2.gz SXHSLKSBIOUFNR-UHFFFAOYSA-N -2 0 301.349 1.289 20 0 DDADRL Cc1c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cnn1C ZINC000313956751 164012201 /nfs/dbraw/zinc/01/22/01/164012201.db2.gz HUJLNHOEBFOMOA-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)C1(C(=O)[O-])CC1 ZINC000580276761 422910916 /nfs/dbraw/zinc/91/09/16/422910916.db2.gz JOTPVNCVZKUBID-GFCCVEGCSA-N -2 0 305.330 1.444 20 0 DDADRL Cc1cc(CCNS(=O)(=O)c2cc(C(=O)[O-])cs2)on1 ZINC000505822337 421421967 /nfs/dbraw/zinc/42/19/67/421421967.db2.gz XVTKYUWGXMSZEL-UHFFFAOYSA-N -2 0 316.360 1.264 20 0 DDADRL COCc1n[n-]c(=NC[C@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000650777100 423255477 /nfs/dbraw/zinc/25/54/77/423255477.db2.gz SXAAQUZBEPPFOI-AWEZNQCLSA-N -2 0 307.375 1.561 20 0 DDADRL Cc1n[n-]c(=NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)s1 ZINC000653534178 423516475 /nfs/dbraw/zinc/51/64/75/423516475.db2.gz BEIIDNAAMBNSAR-CNUIFLNQSA-N -2 0 312.395 1.525 20 0 DDADRL CC[C@H](C(=O)[O-])N(C)c1cc(N(C)[C@H](CC)C(=O)[O-])ncn1 ZINC000662884437 424797769 /nfs/dbraw/zinc/79/77/69/424797769.db2.gz UHQCEBBRLUCTFQ-NXEZZACHSA-N -2 0 310.354 1.075 20 0 DDADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)NCC(=O)[O-])n2)cc1 ZINC000236788107 280587855 /nfs/dbraw/zinc/58/78/55/280587855.db2.gz ZWUDJGRMDWAQEC-UHFFFAOYSA-N -2 0 303.318 1.516 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])c[nH]1 ZINC000356483916 298803910 /nfs/dbraw/zinc/80/39/10/298803910.db2.gz RLTDSGRIPSQCPI-UHFFFAOYSA-N -2 0 309.347 1.834 20 0 DDADRL COc1ccc(-c2noc(=N[C@@H]3CC[C@H](C(=O)[O-])C3)[n-]2)cc1 ZINC000520588564 302864397 /nfs/dbraw/zinc/86/43/97/302864397.db2.gz RCSBNZIPMUTNBQ-WDEREUQCSA-N -2 0 303.318 1.832 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000530994831 303223469 /nfs/dbraw/zinc/22/34/69/303223469.db2.gz ZELXFRVYCJQKIC-UHFFFAOYSA-N -2 0 323.374 1.964 20 0 DDADRL O=C([O-])COc1cccc(/C=C\c2cc(C(=O)[O-])ncn2)c1 ZINC000534148434 303327325 /nfs/dbraw/zinc/32/73/25/303327325.db2.gz TXSKJBKJUJAKBP-PLNGDYQASA-N -2 0 300.270 1.809 20 0 DDADRL CCc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])s1 ZINC000537639700 303377521 /nfs/dbraw/zinc/37/75/21/303377521.db2.gz DXLKREURXYBCJK-UHFFFAOYSA-N -2 0 315.376 1.543 20 0 DDADRL CSCC[C@@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000547880077 303557576 /nfs/dbraw/zinc/55/75/76/303557576.db2.gz SHMMRZLOOWYLLR-NTSWFWBYSA-N -2 0 309.331 1.063 20 0 DDADRL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)[C@@H](C)C(F)(F)F ZINC000548220242 307760409 /nfs/dbraw/zinc/76/04/09/307760409.db2.gz ZGZIIAHTUXVAPG-YUMQZZPRSA-N -2 0 305.318 1.890 20 0 DDADRL C[C@H]1C[C@H](S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)CCO1 ZINC000577518747 308395187 /nfs/dbraw/zinc/39/51/87/308395187.db2.gz KOEMQSMFCSDBJK-DTWKUNHWSA-N -2 0 317.338 1.833 20 0 DDADRL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)C1CCC1 ZINC000399213384 337314375 /nfs/dbraw/zinc/31/43/75/337314375.db2.gz QYDZCKPQWGCYKO-SNVBAGLBSA-N -2 0 305.302 1.496 20 0 DDADRL CC(C)N(CC(=O)[O-])C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000663028252 484609818 /nfs/dbraw/zinc/60/98/18/484609818.db2.gz ZXDUUXXKOSBJQW-UHFFFAOYSA-N -2 0 321.308 1.652 20 0 DDADRL O=C([O-])CC[C@H]1CCCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)C1 ZINC000663028347 484609983 /nfs/dbraw/zinc/60/99/83/484609983.db2.gz RQLYMDMWUJBDKE-RISCZKNCSA-N -2 0 311.378 1.981 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000663136610 484695086 /nfs/dbraw/zinc/69/50/86/484695086.db2.gz YDAOHZLCJPWDOE-QWHCGFSZSA-N -2 0 305.330 1.554 20 0 DDADRL Cc1cc(C(=O)N(C)CCC(=O)[O-])cc(C)c1OCC(=O)[O-] ZINC000820954268 598197848 /nfs/dbraw/zinc/19/78/48/598197848.db2.gz XNQRKEJBNDJJDB-UHFFFAOYSA-N -2 0 309.318 1.314 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)o1 ZINC000315615184 599736845 /nfs/dbraw/zinc/73/68/45/599736845.db2.gz ROAGFPPCUNRZDY-UHFFFAOYSA-N -2 0 319.298 1.722 20 0 DDADRL Cn1nccc1S(=O)(=O)[N-]c1ccc(CCC(=O)[O-])cc1 ZINC000124170399 599852052 /nfs/dbraw/zinc/85/20/52/599852052.db2.gz SFKDFAIJCMSFHA-UHFFFAOYSA-N -2 0 309.347 1.238 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)ccc1F ZINC000738477922 599886193 /nfs/dbraw/zinc/88/61/93/599886193.db2.gz KLMNBMIXNROQEH-UHFFFAOYSA-N -2 0 313.310 1.216 20 0 DDADRL Cc1ccccc1S(=O)(=O)[N-]c1nc(CC(=O)[O-])cs1 ZINC000088715124 600052722 /nfs/dbraw/zinc/05/27/22/600052722.db2.gz XGWMSQNDTACMCF-UHFFFAOYSA-N -2 0 312.372 1.879 20 0 DDADRL CN(Cc1ccc([N-]S(=O)(=O)c2cn(C)cn2)cc1)C(=O)[O-] ZINC000737485703 600300189 /nfs/dbraw/zinc/30/01/89/600300189.db2.gz BXUDFCZCLFUARR-UHFFFAOYSA-N -2 0 324.362 1.331 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c[nH]1 ZINC000166559640 600636598 /nfs/dbraw/zinc/63/65/98/600636598.db2.gz JBYCHJTZUKLGJO-UHFFFAOYSA-N -2 0 315.738 1.871 20 0 DDADRL COc1cccnc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000832633134 600981456 /nfs/dbraw/zinc/98/14/56/600981456.db2.gz RECCAHDPIXNPPS-UHFFFAOYSA-N -2 0 314.344 1.651 20 0 DDADRL Cc1cn2cc([N-]S(=O)(=O)c3c[n-]c(C(=O)[O-])c3)ccc2[nH+]1 ZINC000832985544 600984695 /nfs/dbraw/zinc/98/46/95/600984695.db2.gz SHXBRIOVIADXCX-UHFFFAOYSA-N -2 0 320.330 1.470 20 0 DDADRL C[C@@](NC(=O)CSc1n[n-]c(=S)s1)(C(=O)[O-])C1CC1 ZINC000827635996 601288137 /nfs/dbraw/zinc/28/81/37/601288137.db2.gz JJHJCOCSLQTZDW-JTQLQIEISA-N -2 0 319.433 1.288 20 0 DDADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccnn2C)c1C ZINC000049924199 601358451 /nfs/dbraw/zinc/35/84/51/601358451.db2.gz WEMHKDRJHJJIFG-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL Cc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)s1 ZINC000312276418 601501763 /nfs/dbraw/zinc/50/17/63/601501763.db2.gz NKKYCPKOXRVBMC-UHFFFAOYSA-N -2 0 313.360 1.654 20 0 DDADRL C[C@]1(C(=O)[O-])CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000263223994 602039232 /nfs/dbraw/zinc/03/92/32/602039232.db2.gz ZMOYGQQQAWXVGV-INIZCTEOSA-N -2 0 315.329 1.515 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-])cc1Cl ZINC000832954418 602196354 /nfs/dbraw/zinc/19/63/54/602196354.db2.gz DMMUWHWKKDDBKM-MRVPVSSYSA-N -2 0 319.766 1.564 20 0 DDADRL O=C([O-])Nc1ccc(C(=O)[N-]S(=O)(=O)C2CCCC2)cc1 ZINC000832838809 604126185 /nfs/dbraw/zinc/12/61/85/604126185.db2.gz NHGHFVAYOZCYBL-UHFFFAOYSA-N -2 0 312.347 1.779 20 0 DDADRL CC(C)c1cccnc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833511249 605052960 /nfs/dbraw/zinc/05/29/60/605052960.db2.gz HSFUEJCJGKHPIB-UHFFFAOYSA-N -2 0 324.362 1.287 20 0 DDADRL C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833605543 605118717 /nfs/dbraw/zinc/11/87/17/605118717.db2.gz QBKITNJPELONOE-HZGVNTEJSA-N -2 0 317.750 1.499 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)C1 ZINC000834059987 605309540 /nfs/dbraw/zinc/30/95/40/605309540.db2.gz MQEXWTNWOVTGPA-TUAOUCFPSA-N -2 0 312.366 1.526 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)C[C@H]2CCCN2C(=O)[O-])C1 ZINC000834060031 605309706 /nfs/dbraw/zinc/30/97/06/605309706.db2.gz MYVCPUIPAJCQBP-NWDGAFQWSA-N -2 0 312.366 1.622 20 0 DDADRL O=C([O-])c1ccc2c(c1)CCN2C(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000834282563 606035151 /nfs/dbraw/zinc/03/51/51/606035151.db2.gz BEDZXWDTCKVBKE-LBPRGKRZSA-N -2 0 318.329 1.806 20 0 DDADRL CCN(CCC(=O)[O-])C(=O)[C@H](CNC(=O)[O-])c1ccccc1 ZINC000833857649 606046732 /nfs/dbraw/zinc/04/67/32/606046732.db2.gz PWMYJCWXRVFLLD-GFCCVEGCSA-N -2 0 308.334 1.361 20 0 DDADRL O=C([O-])N[C@H](CC(=O)N[C@H](C(=O)[O-])C1CC1)c1ccccc1 ZINC000834123034 606053220 /nfs/dbraw/zinc/05/32/20/606053220.db2.gz PJAMFSFXQWMRNZ-YPMHNXCESA-N -2 0 306.318 1.365 20 0 DDADRL Cc1oc(CN(C)C(=O)[C@@H]2CCCCN2C(=O)[O-])cc1C(=O)[O-] ZINC000833934829 606054967 /nfs/dbraw/zinc/05/49/67/606054967.db2.gz NRWOLGMHVJSUQO-LBPRGKRZSA-N -2 0 324.333 1.777 20 0 DDADRL Cc1ccc(NC(=O)[C@H]2COCCN2C(=O)[O-])cc1C(=O)[O-] ZINC000833905158 606064627 /nfs/dbraw/zinc/06/46/27/606064627.db2.gz LIBLPZZBDJRQDN-LLVKDONJSA-N -2 0 308.290 1.011 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000834171132 606065845 /nfs/dbraw/zinc/06/58/45/606065845.db2.gz SZGUIOWOSOCPNC-JGVFFNPUSA-N -2 0 310.281 1.899 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)CN(CC2CC2)C(=O)[O-])c1 ZINC000834064991 606066184 /nfs/dbraw/zinc/06/61/84/606066184.db2.gz IVSPKNFHNBZLFC-UHFFFAOYSA-N -2 0 306.318 1.642 20 0 DDADRL CCC(=O)[N-][N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000063911396 696332350 /nfs/dbraw/zinc/33/23/50/696332350.db2.gz FBTBWWPIYQUGQI-UHFFFAOYSA-N -2 0 314.260 1.564 20 0 DDADRL Cc1cccnc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000172602070 697369299 /nfs/dbraw/zinc/36/92/99/697369299.db2.gz PFUYWENSPQMURF-UHFFFAOYSA-N -2 0 311.301 1.288 20 0 DDADRL Cn1nc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1C(=O)[O-] ZINC000776427523 698106076 /nfs/dbraw/zinc/10/60/76/698106076.db2.gz PZNPWMSAVJXPQY-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000817880736 702507320 /nfs/dbraw/zinc/50/73/20/702507320.db2.gz DKXRQGSYCWNUQE-MRVPVSSYSA-N -2 0 312.297 1.556 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1nc(-c2ccccc2)cs1 ZINC000820281755 704252195 /nfs/dbraw/zinc/25/21/95/704252195.db2.gz GMYDSJUBQXEYRA-UHFFFAOYSA-N -2 0 303.303 1.197 20 0 DDADRL O=S(=O)(N=S1(=O)CCCC1)[N-]c1cccc(Cl)c1[O-] ZINC000821178186 704379012 /nfs/dbraw/zinc/37/90/12/704379012.db2.gz PTCUZRODFVLRTO-UHFFFAOYSA-N -2 0 324.811 1.964 20 0 DDADRL CC(C)OC[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000863418977 705923883 /nfs/dbraw/zinc/92/38/83/705923883.db2.gz MKTXPRIWVAHRHN-JTQLQIEISA-N -2 0 323.317 1.121 20 0 DDADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000863952205 706044546 /nfs/dbraw/zinc/04/45/46/706044546.db2.gz OBVXFXKRYHNCCK-QMMMGPOBSA-N -2 0 305.377 1.300 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)C1 ZINC000863952792 706045128 /nfs/dbraw/zinc/04/51/28/706045128.db2.gz HWAIOMAOFFHCMX-GFUJYOBASA-N -2 0 323.370 1.604 20 0 DDADRL CCOc1ccc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])c(C)c1 ZINC000863959950 706046998 /nfs/dbraw/zinc/04/69/98/706046998.db2.gz FSRSUJGKUFTJMI-UHFFFAOYSA-N -2 0 315.347 1.063 20 0 DDADRL Cc1sc([C@@H](C)[N-]S(=O)(=O)C(F)F)nc1C(=O)[O-] ZINC000899951118 709247631 /nfs/dbraw/zinc/24/76/31/709247631.db2.gz VGJUDAWZYPDENM-GSVOUGTGSA-N -2 0 300.308 1.353 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)/C=C\c2cccs2)C1 ZINC000910182096 709800754 /nfs/dbraw/zinc/80/07/54/709800754.db2.gz HQVYEWXCYXTPEL-YZXSGCCBSA-N -2 0 309.343 1.538 20 0 DDADRL CC1(C)CCC(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])CC1 ZINC000910184335 709801367 /nfs/dbraw/zinc/80/13/67/709801367.db2.gz PJIJAPHHZQMCPK-NEPJUHHUSA-N -2 0 311.378 1.979 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)C2CCC(C3CC3)CC2)C1 ZINC000910185449 709801829 /nfs/dbraw/zinc/80/18/29/709801829.db2.gz ZRVQDZUOQPZCPV-HOAMVYINSA-N -2 0 323.389 1.979 20 0 DDADRL CSCCCCC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910185828 709801874 /nfs/dbraw/zinc/80/18/74/709801874.db2.gz YWOGYNCOFCKIIF-VHSXEESVSA-N -2 0 303.380 1.296 20 0 DDADRL C[C@H](CC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccccc1 ZINC000910186622 709802626 /nfs/dbraw/zinc/80/26/26/709802626.db2.gz SUXJKRDUZCXILZ-BNOWGMLFSA-N -2 0 319.357 1.957 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CSC(F)(F)F)C1 ZINC000910190423 709804691 /nfs/dbraw/zinc/80/46/91/709804691.db2.gz WMTOKQKEKKOLFB-RITPCOANSA-N -2 0 315.269 1.016 20 0 DDADRL Cc1cc(F)ccc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910192901 709806203 /nfs/dbraw/zinc/80/62/03/709806203.db2.gz XCYYFNVBWKGGSF-CABZTGNLSA-N -2 0 309.293 1.524 20 0 DDADRL C[C@@H]1CN(C(=O)C2(C(=O)[O-])CCSCC2)CC[C@H]1C(=O)[O-] ZINC000902178939 710650295 /nfs/dbraw/zinc/65/02/95/710650295.db2.gz NGWAACXJLXPBTQ-NXEZZACHSA-N -2 0 315.391 1.154 20 0 DDADRL O=C([O-])C1=NN(c2ccccc2)[C@@H](C(=O)[N-]OCC(F)F)C1 ZINC000911803823 711002334 /nfs/dbraw/zinc/00/23/34/711002334.db2.gz VJGOVLQWEZHZES-SNVBAGLBSA-N -2 0 313.260 1.019 20 0 DDADRL Cc1ccc(/C=C/S(=O)(=O)[N-]CC(F)(F)C(=O)[O-])cc1 ZINC000906000081 712216675 /nfs/dbraw/zinc/21/66/75/712216675.db2.gz TVOHKCNSBGSVJJ-VOTSOKGWSA-N -2 0 305.302 1.605 20 0 DDADRL CN(CCCC(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000918063376 713528183 /nfs/dbraw/zinc/52/81/83/713528183.db2.gz VCJKLAJGGDKLEF-UHFFFAOYSA-N -2 0 319.310 1.009 20 0 DDADRL Nc1c2c(=O)nccc-2[n-]n1C(=O)Cc1ccc([S-])cc1 ZINC001183192247 743793858 /nfs/dbraw/zinc/79/38/58/743793858.db2.gz PGTUZHDOEQUKLP-UHFFFAOYSA-N -2 0 300.343 1.430 20 0 DDADRL C[C@H]1COCC[C@H]1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189898445 745047787 /nfs/dbraw/zinc/04/77/87/745047787.db2.gz CEWHXUSYFBTBAG-GXSJLCMTSA-N -2 0 315.262 1.313 20 0 DDADRL O=c1cc(NS(=O)(=O)c2ncc[n-]2)[n-]n1-c1ccccc1 ZINC001190690908 745298478 /nfs/dbraw/zinc/29/84/78/745298478.db2.gz QNWMNTWUTBNRBQ-UHFFFAOYSA-N -2 0 305.319 1.102 20 0 DDADRL COC(=O)c1ccc([O-])c(C(=O)Nc2cc(=O)[n-]c(Cl)n2)c1 ZINC001192377585 745770575 /nfs/dbraw/zinc/77/05/75/745770575.db2.gz PRMVLTYEGOUVSV-UHFFFAOYSA-N -2 0 323.692 1.580 20 0 DDADRL CCOc1ccc(C(=O)NCCOP(=O)([O-])[O-])cc1CC ZINC001198205165 747407273 /nfs/dbraw/zinc/40/72/73/747407273.db2.gz YVFTXUGSURGWEG-UHFFFAOYSA-N -2 0 317.278 1.487 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c(O)c1 ZINC001198782906 747595471 /nfs/dbraw/zinc/59/54/71/747595471.db2.gz QWZVERMLHYEEKM-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(Cl)nc2c1CCS2 ZINC001168590186 751207082 /nfs/dbraw/zinc/20/70/82/751207082.db2.gz UQBLXSLYMGOFGH-UHFFFAOYSA-N -2 0 311.687 1.299 20 0 DDADRL Cc1nccc(-c2ccc(NCCOP(=O)([O-])[O-])cc2)n1 ZINC001168592771 751228674 /nfs/dbraw/zinc/22/86/74/751228674.db2.gz XQEYXNYSTIVWIC-UHFFFAOYSA-N -2 0 309.262 1.973 20 0 DDADRL Cc1c(F)c(F)cc(C(=O)NCCOP(=O)([O-])[O-])c1F ZINC001148735311 773580162 /nfs/dbraw/zinc/58/01/62/773580162.db2.gz XEWPSKSBHYOPIG-UHFFFAOYSA-N -2 0 313.168 1.251 20 0 DDADRL COC(=O)c1cnn(C)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238013 778089274 /nfs/dbraw/zinc/08/92/74/778089274.db2.gz FULDVCOKVROBGX-UHFFFAOYSA-N -2 0 319.273 1.347 20 0 DDADRL CCC(CC)(NC(=O)c1cc(F)cc(F)c1[O-])c1nnn[n-]1 ZINC001412935646 855799827 /nfs/dbraw/zinc/79/98/27/855799827.db2.gz LAHZULPHILAWDA-UHFFFAOYSA-N -2 0 311.292 1.629 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cccc2cc(O)ccc21 ZINC001152050424 863134883 /nfs/dbraw/zinc/13/48/83/863134883.db2.gz YEHFGIUMJKGDQD-UHFFFAOYSA-N -2 0 311.230 1.385 20 0 DDADRL Cc1nc2ccc(F)cc2c(NCCOP(=O)([O-])[O-])n1 ZINC001157787562 864140265 /nfs/dbraw/zinc/14/02/65/864140265.db2.gz MQXVKELZTPMFOB-UHFFFAOYSA-N -2 0 301.214 1.599 20 0 DDADRL COC(=O)c1cc(Cl)c(NCCOP(=O)([O-])[O-])nc1C ZINC001157796108 864149526 /nfs/dbraw/zinc/14/95/26/864149526.db2.gz WPOSVRSGYMHMFZ-UHFFFAOYSA-N -2 0 324.657 1.351 20 0 DDADRL CC(C)(C)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001225257752 881745802 /nfs/dbraw/zinc/74/58/02/881745802.db2.gz QKNOLLKEIGWQCB-AAEUAGOBSA-N -2 0 324.329 1.426 20 0 DDADRL Nc1cccc(NC(=O)c2ccccc2OP(=O)([O-])[O-])c1 ZINC001218828940 877756167 /nfs/dbraw/zinc/75/61/67/877756167.db2.gz UOTXDVYZGWRWCU-UHFFFAOYSA-N -2 0 308.230 1.993 20 0 DDADRL Cc1ccc(Cl)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1C ZINC001230180907 884361301 /nfs/dbraw/zinc/36/13/01/884361301.db2.gz ZRFSKJXOFSKXEO-SECBINFHSA-N -2 0 324.653 1.332 20 0 DDADRL O=C([O-])C[C@@H](O)C(=O)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1 ZINC001231044671 885159602 /nfs/dbraw/zinc/15/96/02/885159602.db2.gz NGOXRRAKFUEHHZ-SCSAIBSYSA-N -2 0 320.088 1.006 20 0 DDADRL CO[C@@H](C)CO[C@@H](C)COc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234337265 887882754 /nfs/dbraw/zinc/88/27/54/887882754.db2.gz YRPUTLIUPKGXNT-QWRGUYRKSA-N -2 0 320.278 1.977 20 0 DDADRL CC(=O)Nc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nn1 ZINC001242159111 891354235 /nfs/dbraw/zinc/35/42/35/891354235.db2.gz HBPXRVISKXLSNA-UHFFFAOYSA-N -2 0 301.258 1.498 20 0 DDADRL COC(=O)Cc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1 ZINC001242159739 891354582 /nfs/dbraw/zinc/35/45/82/891354582.db2.gz XMPATNJTHDJQKL-UHFFFAOYSA-N -2 0 315.281 1.861 20 0 DDADRL CNC(=O)c1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242160000 891354979 /nfs/dbraw/zinc/35/49/79/891354979.db2.gz AOFIYEHNVMCNLZ-UHFFFAOYSA-N -2 0 300.270 1.505 20 0 DDADRL COC(=O)c1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccn1 ZINC001242160947 891356877 /nfs/dbraw/zinc/35/68/77/891356877.db2.gz LYNLVZICFVTMAK-UHFFFAOYSA-N -2 0 301.254 1.932 20 0 DDADRL COC(=O)c1coc(=O)c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242161674 891356930 /nfs/dbraw/zinc/35/69/30/891356930.db2.gz HHQPUDXYOOIQNI-UHFFFAOYSA-N -2 0 318.237 1.490 20 0 DDADRL O=c1cc(-c2ccccn2)[n-]n1-c1ccccc1S(=O)(=O)[O-] ZINC001245916693 892272914 /nfs/dbraw/zinc/27/29/14/892272914.db2.gz UWAZXXHIBCETRJ-UHFFFAOYSA-N -2 0 317.326 1.887 20 0 DDADRL O=c1cc(-c2cnccn2)[n-]n1-c1cccc(S(=O)(=O)[O-])c1 ZINC001245931947 892275102 /nfs/dbraw/zinc/27/51/02/892275102.db2.gz KZPYGUOIODISDN-UHFFFAOYSA-N -2 0 318.314 1.282 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nccn3ccnc23)c1 ZINC001260184033 899076182 /nfs/dbraw/zinc/07/61/82/899076182.db2.gz ONAJXVTXMZSSNH-UHFFFAOYSA-N -2 0 318.314 1.228 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccn3nccc3c2)c1 ZINC001260183898 899076283 /nfs/dbraw/zinc/07/62/83/899076283.db2.gz HIRLAEZMVAFQOK-UHFFFAOYSA-N -2 0 317.326 1.833 20 0 DDADRL CC(=O)c1cccnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260221458 899094633 /nfs/dbraw/zinc/09/46/33/899094633.db2.gz HFMSTTZVIHYTJY-UHFFFAOYSA-N -2 0 320.326 1.783 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn3c2OCCC3)cc1 ZINC001260223289 899097991 /nfs/dbraw/zinc/09/79/91/899097991.db2.gz LOXYIJWVPQYCHY-UHFFFAOYSA-N -2 0 323.330 1.165 20 0 DDADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000355739837 290989704 /nfs/dbraw/zinc/98/97/04/290989704.db2.gz JJPASKLIHPEOST-UHFFFAOYSA-N -2 0 315.738 1.871 20 0 DDADRL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccccc2CC)c[nH]1 ZINC000618907043 363792314 /nfs/dbraw/zinc/79/23/14/363792314.db2.gz JBWCTAQBJOHMFM-UHFFFAOYSA-N -2 0 323.374 1.950 20 0 DDADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000194484933 201235428 /nfs/dbraw/zinc/23/54/28/201235428.db2.gz HSHWIOVHCHTFNF-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cn1 ZINC000349974740 284124622 /nfs/dbraw/zinc/12/46/22/284124622.db2.gz QLOZTTMAOIQJFU-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccnn2C)cc1)C(=O)[O-] ZINC000350741376 284252999 /nfs/dbraw/zinc/25/29/99/284252999.db2.gz OKADNDQLAGIEKS-SNVBAGLBSA-N -2 0 323.374 1.484 20 0 DDADRL COCCS(=O)(=O)[N-]c1cc(CCC(=O)[O-])ccc1OC ZINC000267978179 206374071 /nfs/dbraw/zinc/37/40/71/206374071.db2.gz FEVDJWNWLIZGQG-UHFFFAOYSA-N -2 0 317.363 1.101 20 0 DDADRL CCCC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000035085580 406966513 /nfs/dbraw/zinc/96/65/13/406966513.db2.gz LZHVCRUOEYEOLA-SNVBAGLBSA-N -2 0 307.318 1.887 20 0 DDADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1 ZINC000342638517 409781472 /nfs/dbraw/zinc/78/14/72/409781472.db2.gz QRDHJGXEQFJXKU-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC000339415527 410170582 /nfs/dbraw/zinc/17/05/82/410170582.db2.gz ILLXTIJZYHQCBD-UHFFFAOYSA-N -2 0 315.282 1.056 20 0 DDADRL CCn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)n1 ZINC000312493006 418591718 /nfs/dbraw/zinc/59/17/18/418591718.db2.gz YNWIYYGKJWYPAN-UHFFFAOYSA-N -2 0 315.376 1.772 20 0 DDADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1 ZINC000134618204 281550523 /nfs/dbraw/zinc/55/05/23/281550523.db2.gz ZAOYXTPEFLVJAA-UHFFFAOYSA-N -2 0 309.347 1.618 20 0 DDADRL CC(C)C[C@H](CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1)C(=O)[O-] ZINC000572992553 304568100 /nfs/dbraw/zinc/56/81/00/304568100.db2.gz RGKFVCLGXOGJRK-NWDGAFQWSA-N -2 0 314.382 1.630 20 0 DDADRL CC(C)C[C@@H](CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1)C(=O)[O-] ZINC000572992554 304568181 /nfs/dbraw/zinc/56/81/81/304568181.db2.gz RGKFVCLGXOGJRK-RYUDHWBXSA-N -2 0 314.382 1.630 20 0 DDADRL C[C@H]1CCC[C@H](CNS(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000573321626 308237465 /nfs/dbraw/zinc/23/74/65/308237465.db2.gz SVKZAJOGJYZJQZ-IUCAKERBSA-N -2 0 318.420 1.946 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=NC[C@@H](C(=O)[O-])C2CCC2)cc1 ZINC000662901128 484533545 /nfs/dbraw/zinc/53/35/45/484533545.db2.gz DMXUQMXPAWFQPE-CYBMUJFWSA-N -2 0 301.350 1.305 20 0 DDADRL C[C@@H]1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000663058009 484634301 /nfs/dbraw/zinc/63/43/01/484634301.db2.gz LVVGONQXDXHPPA-ZWNOBZJWSA-N -2 0 321.329 1.333 20 0 DDADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000663128310 484690296 /nfs/dbraw/zinc/69/02/96/484690296.db2.gz JLUIJQMMEKCIPM-VIFPVBQESA-N -2 0 311.338 1.388 20 0 DDADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000663132029 484693250 /nfs/dbraw/zinc/69/32/50/484693250.db2.gz IGVAMRIFZRXCCH-QWHCGFSZSA-N -2 0 319.357 1.944 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2nn(C)cc2C)sc1C(=O)[O-] ZINC000663267199 484774112 /nfs/dbraw/zinc/77/41/12/484774112.db2.gz ZLISQQVTTGMSIW-UHFFFAOYSA-N -2 0 315.376 1.597 20 0 DDADRL C[C@H](Sc1ccccc1C(=O)N(C)CCC(=O)[O-])C(=O)[O-] ZINC000820199780 598195614 /nfs/dbraw/zinc/19/56/14/598195614.db2.gz INZTUGIASGGMKA-VIFPVBQESA-N -2 0 311.359 1.799 20 0 DDADRL CCc1n[n-]c(=NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)s1 ZINC000389406230 600111435 /nfs/dbraw/zinc/11/14/35/600111435.db2.gz LYPZAHGHSHUJSK-UHFFFAOYSA-N -2 0 318.358 1.768 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cc2ccsc2[nH]1 ZINC000739693514 600462147 /nfs/dbraw/zinc/46/21/47/600462147.db2.gz ZHHPZDQHHCBTIH-UHFFFAOYSA-N -2 0 316.360 1.154 20 0 DDADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cn1 ZINC000038030458 600530285 /nfs/dbraw/zinc/53/02/85/600530285.db2.gz BBBVLSSSLYMTNY-UHFFFAOYSA-N -2 0 317.273 1.047 20 0 DDADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cn1 ZINC000739911917 600675467 /nfs/dbraw/zinc/67/54/67/600675467.db2.gz QJOUGPDYURJJPY-UHFFFAOYSA-N -2 0 320.330 1.250 20 0 DDADRL CC[C@](C)([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(F)(F)F ZINC000828691770 600988501 /nfs/dbraw/zinc/98/85/01/600988501.db2.gz DLCLSSMLKXWRLH-VIFPVBQESA-N -2 0 315.269 1.987 20 0 DDADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)NCCCC(=O)[O-])n2)c1 ZINC000832936001 601386145 /nfs/dbraw/zinc/38/61/45/601386145.db2.gz WSPMIDJICTTYOX-UHFFFAOYSA-N -2 0 321.308 1.620 20 0 DDADRL CC(C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n[nH]1 ZINC000228328649 601850420 /nfs/dbraw/zinc/85/04/20/601850420.db2.gz YBIOFFTZBLWQLZ-UHFFFAOYSA-N -2 0 312.351 1.371 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=NC[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000740105194 601917524 /nfs/dbraw/zinc/91/75/24/601917524.db2.gz GKIJUCBHMXZLTG-GFCCVEGCSA-N -2 0 316.365 1.195 20 0 DDADRL C[C@@]1(C(=O)[O-])CCN(C(=O)CSc2n[n-]c(=S)s2)C1 ZINC000827991336 602034786 /nfs/dbraw/zinc/03/47/86/602034786.db2.gz BSSUJUPNUVBKKP-SNVBAGLBSA-N -2 0 319.433 1.242 20 0 DDADRL CCCCc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n[nH]1 ZINC000829430702 602102853 /nfs/dbraw/zinc/10/28/53/602102853.db2.gz LKABBNCQJDTAOY-UHFFFAOYSA-N -2 0 312.351 1.579 20 0 DDADRL CC(C)c1cccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])n1 ZINC000827129854 602347388 /nfs/dbraw/zinc/34/73/88/602347388.db2.gz XQEOIODTZCGABL-UHFFFAOYSA-N -2 0 314.363 1.129 20 0 DDADRL O=C([O-])N[C@H](Cc1ccccc1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000740692990 602571769 /nfs/dbraw/zinc/57/17/69/602571769.db2.gz MOEDKKMAZISNIF-OLZOCXBDSA-N -2 0 308.334 1.440 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000826729470 604188103 /nfs/dbraw/zinc/18/81/03/604188103.db2.gz SRUNYCDPMGBHTC-GWCFXTLKSA-N -2 0 320.411 1.259 20 0 DDADRL CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000826847804 604210085 /nfs/dbraw/zinc/21/00/85/604210085.db2.gz OFCHARDWPZFODT-NXEZZACHSA-N -2 0 306.384 1.059 20 0 DDADRL Cc1ccncc1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000832984998 604883669 /nfs/dbraw/zinc/88/36/69/604883669.db2.gz UKRITUFCIAQQLS-UHFFFAOYSA-N -2 0 320.326 1.207 20 0 DDADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000033811059 604889468 /nfs/dbraw/zinc/88/94/68/604889468.db2.gz OUJVXUAXXJNJJO-UHFFFAOYSA-N -2 0 323.286 1.489 20 0 DDADRL O=C([O-])N1CCCN1C(=O)CSc1n[n-]c(=S)s1 ZINC000834111160 605317358 /nfs/dbraw/zinc/31/73/58/605317358.db2.gz ZUEGGLIQULRPOI-UHFFFAOYSA-N -2 0 306.394 1.046 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)C[C@H]2CCCN2C(=O)[O-])cc1 ZINC000834065725 605689907 /nfs/dbraw/zinc/68/99/07/605689907.db2.gz PIZCPZMFVUIRSI-LLVKDONJSA-N -2 0 322.317 1.621 20 0 DDADRL O=C([O-])NCCCCC(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000834234010 605910153 /nfs/dbraw/zinc/91/01/53/605910153.db2.gz HXPVSIBUGVRDOK-UHFFFAOYSA-N -2 0 320.411 1.451 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000834059714 606031049 /nfs/dbraw/zinc/03/10/49/606031049.db2.gz UHEAPBWHGQJCTE-CYDGBPFRSA-N -2 0 324.377 1.621 20 0 DDADRL O=C([O-])c1ccc(CCNC(=O)C2CCN(C(=O)[O-])CC2)cc1 ZINC000834283890 606032441 /nfs/dbraw/zinc/03/24/41/606032441.db2.gz XIJCBXJCCCZTCZ-UHFFFAOYSA-N -2 0 320.345 1.434 20 0 DDADRL O=C([O-])[C@@H]1CC12CCN(C(=O)[C@H]1CCCCN1C(=O)[O-])CC2 ZINC000834057858 606033616 /nfs/dbraw/zinc/03/36/16/606033616.db2.gz IEMPEGJBNFULRS-WDEREUQCSA-N -2 0 310.350 1.232 20 0 DDADRL O=C([O-])[C@H]1CC12CCN(C(=O)C1CCN(C(=O)[O-])CC1)CC2 ZINC000834058232 606033811 /nfs/dbraw/zinc/03/38/11/606033811.db2.gz LDZVOAIHGAFFCT-LLVKDONJSA-N -2 0 310.350 1.090 20 0 DDADRL O=C([O-])N[C@@H](CC(=O)NC1(C(=O)[O-])CCCC1)c1ccccc1 ZINC000834121673 606034248 /nfs/dbraw/zinc/03/42/48/606034248.db2.gz HWUCMGCNFVWMRB-LBPRGKRZSA-N -2 0 320.345 1.899 20 0 DDADRL O=C([O-])[C@H]1CC12CCN(C(=O)CN(CC1CC1)C(=O)[O-])CC2 ZINC000834060196 606034511 /nfs/dbraw/zinc/03/45/11/606034511.db2.gz VYQFONFYQHMSQC-LLVKDONJSA-N -2 0 310.350 1.090 20 0 DDADRL O=C([O-])N[C@H](CC(=O)N1CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000834121631 606034530 /nfs/dbraw/zinc/03/45/30/606034530.db2.gz HQKDMPKNDPEUAS-OLZOCXBDSA-N -2 0 320.345 1.851 20 0 DDADRL O=C([O-])CC1(NC(=O)c2cccc(NC(=O)[O-])c2)CCOCC1 ZINC000834061458 606052705 /nfs/dbraw/zinc/05/27/05/606052705.db2.gz VAWIWEVYCPJORI-UHFFFAOYSA-N -2 0 322.317 1.530 20 0 DDADRL Cc1oc(CN(C)C(=O)CC2(NC(=O)[O-])CCC2)cc1C(=O)[O-] ZINC000833935935 606055327 /nfs/dbraw/zinc/05/53/27/606055327.db2.gz SWHZRMVDTGSLFS-UHFFFAOYSA-N -2 0 324.333 1.825 20 0 DDADRL O=C([O-])[C@@H](NC(=O)[C@H]1CCN(C(=O)[O-])C1)c1ccccc1F ZINC000834015229 606068256 /nfs/dbraw/zinc/06/82/56/606068256.db2.gz PABNSFXXBRNZHM-KWQFWETISA-N -2 0 310.281 1.068 20 0 DDADRL O=C([O-])N[C@@H](CC(=O)N1CC[C@H](C(=O)[O-])C1)Cc1ccccc1 ZINC000834122889 606112201 /nfs/dbraw/zinc/11/22/01/606112201.db2.gz VJKLAJFUMTUOGN-QWHCGFSZSA-N -2 0 320.345 1.189 20 0 DDADRL O=C([N-]NC(=O)c1ccccc1F)c1c([O-])cc(F)cc1F ZINC000066041806 696349455 /nfs/dbraw/zinc/34/94/55/696349455.db2.gz ODHRQHQHMVICCL-UHFFFAOYSA-N -2 0 310.231 1.884 20 0 DDADRL CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)s1 ZINC000725223939 699331313 /nfs/dbraw/zinc/33/13/13/699331313.db2.gz IIEJDIVESBVEJW-UHFFFAOYSA-N -2 0 315.376 1.543 20 0 DDADRL O=C([O-])c1ccc(NC(=O)C(=O)[N-]OCCC2CC2)c(F)c1 ZINC000817880739 702507327 /nfs/dbraw/zinc/50/73/27/702507327.db2.gz DRHFMPLVYYPOKN-UHFFFAOYSA-N -2 0 310.281 1.310 20 0 DDADRL CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000817880742 702507449 /nfs/dbraw/zinc/50/74/49/702507449.db2.gz DSSPNKUOXYWSHB-SNVBAGLBSA-N -2 0 308.334 1.346 20 0 DDADRL CC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000846715524 703323319 /nfs/dbraw/zinc/32/33/19/703323319.db2.gz PNSXNCKRRFDCIU-YUMQZZPRSA-N -2 0 312.288 1.011 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)c(C)s1 ZINC000863954191 706045386 /nfs/dbraw/zinc/04/53/86/706045386.db2.gz QKBGFMDTGCVQOI-JTQLQIEISA-N -2 0 319.404 1.527 20 0 DDADRL O=C([O-])CCC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000863965984 706047806 /nfs/dbraw/zinc/04/78/06/706047806.db2.gz PSTLAIBPBAYCEM-UHFFFAOYSA-N -2 0 305.739 1.151 20 0 DDADRL O=C([O-])CCC(=O)[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000863965305 706047820 /nfs/dbraw/zinc/04/78/20/706047820.db2.gz GAAGKRQZQVWAKB-UHFFFAOYSA-N -2 0 319.766 1.193 20 0 DDADRL O=C(c1cc(F)cc(F)c1[O-])N1CCC(c2nnn[n-]2)CC1 ZINC000828417014 706175614 /nfs/dbraw/zinc/17/56/14/706175614.db2.gz RFBVWVITFHIFND-UHFFFAOYSA-N -2 0 309.276 1.203 20 0 DDADRL COc1cc(C(=O)[O-])ccc1-n1[n-]c(C2CCOCC2)cc1=O ZINC000899351230 709065109 /nfs/dbraw/zinc/06/51/09/709065109.db2.gz DHHRAJUNRCFWMK-UHFFFAOYSA-N -2 0 318.329 1.913 20 0 DDADRL CCc1cccc(CC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910183890 709800824 /nfs/dbraw/zinc/80/08/24/709800824.db2.gz OSQPYQMDHJNRFU-KGLIPLIRSA-N -2 0 319.357 1.568 20 0 DDADRL Cc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c(C)s1 ZINC000910188585 709803650 /nfs/dbraw/zinc/80/36/50/709803650.db2.gz MKXYDRIEJKQKJP-MWLCHTKSSA-N -2 0 311.359 1.755 20 0 DDADRL CC(=O)c1cc(F)c([O-])c([N-]S(=O)(=O)CCOC(C)C)c1 ZINC000901952398 710183486 /nfs/dbraw/zinc/18/34/86/710183486.db2.gz IOEMXAAPEUGBDZ-UHFFFAOYSA-N -2 0 319.354 1.901 20 0 DDADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CC1(F)CC1 ZINC000905990051 712212117 /nfs/dbraw/zinc/21/21/17/712212117.db2.gz KAUGIJDZSOGMEV-UHFFFAOYSA-N -2 0 303.311 1.637 20 0 DDADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)CCCc1ccccc1 ZINC000905998813 712215759 /nfs/dbraw/zinc/21/57/59/712215759.db2.gz FWKBNNFAKQZWSE-UHFFFAOYSA-N -2 0 307.318 1.259 20 0 DDADRL COc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)CC1(F)CC1 ZINC000906002005 712217380 /nfs/dbraw/zinc/21/73/80/712217380.db2.gz UMGNHJJEJZLIIM-UHFFFAOYSA-N -2 0 303.311 1.637 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC000907730338 712619470 /nfs/dbraw/zinc/61/94/70/712619470.db2.gz JMQSBMKRJPOAAS-AAOYHXPRSA-N -2 0 307.346 1.055 20 0 DDADRL Cc1cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)sc1C(=O)[O-] ZINC000917716370 713511255 /nfs/dbraw/zinc/51/12/55/713511255.db2.gz KEMABVWMACJMJW-QMMMGPOBSA-N -2 0 321.376 1.142 20 0 DDADRL O=C(Cn1ccc2c1cccc2F)NCCOP(=O)([O-])[O-] ZINC001182826850 743732834 /nfs/dbraw/zinc/73/28/34/743732834.db2.gz AESFYFATZPIYCZ-UHFFFAOYSA-N -2 0 316.225 1.006 20 0 DDADRL CCOC(=O)c1sc(S(=O)(=O)[N-]C2=CC=C[CH]2)nc1C ZINC001184989073 744139329 /nfs/dbraw/zinc/13/93/29/744139329.db2.gz OQLQBJLDWHRNGH-UHFFFAOYSA-N -2 0 313.380 1.565 20 0 DDADRL Cc1ccnnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185877621 744307205 /nfs/dbraw/zinc/30/72/05/744307205.db2.gz QGAYBHNMVHHABQ-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL C[C@H]1CC(=O)CCN1C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189888357 745042547 /nfs/dbraw/zinc/04/25/47/745042547.db2.gz XVIHYRIOZQVPRW-VIFPVBQESA-N -2 0 313.246 1.352 20 0 DDADRL COc1cccc([C@H](C)NC(=O)NCCOP(=O)([O-])[O-])c1 ZINC001192900168 745923933 /nfs/dbraw/zinc/92/39/33/745923933.db2.gz QQMSQWVVIIJJSG-VIFPVBQESA-N -2 0 318.266 1.165 20 0 DDADRL COc1ncccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198729885 747581759 /nfs/dbraw/zinc/58/17/59/747581759.db2.gz APSJSYMDBWMVQO-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL O=P([O-])([O-])OCCNc1nccc2c3c([nH]c21)CCCC3 ZINC001168589109 751200831 /nfs/dbraw/zinc/20/08/31/751200831.db2.gz CZDDPCSUVNLDOR-UHFFFAOYSA-N -2 0 311.278 1.963 20 0 DDADRL C[C@H](Cc1ccccc1)C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000820621513 758116302 /nfs/dbraw/zinc/11/63/02/758116302.db2.gz WCNJCDVYVSZMSF-MRVWCRGKSA-N -2 0 319.357 1.642 20 0 DDADRL CN(C)c1ncc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001176238521 778088625 /nfs/dbraw/zinc/08/86/25/778088625.db2.gz HVKNIADBTQJTMY-UHFFFAOYSA-N -2 0 302.290 1.683 20 0 DDADRL O=C([O-])c1cc(Nc2cc(=O)[n-]c(Cl)n2)cc(C(=O)[O-])c1 ZINC001176240198 778090143 /nfs/dbraw/zinc/09/01/43/778090143.db2.gz XPYLMSVZDZGJNR-UHFFFAOYSA-N -3 0 309.665 1.976 20 0 DDADRL COC(=O)c1nsnc1Nc1cc(CC(=O)[O-])ccc1F ZINC001216678853 877015199 /nfs/dbraw/zinc/01/51/99/877015199.db2.gz DXJCMTVVYRRUGH-UHFFFAOYSA-N -2 0 311.294 1.835 20 0 DDADRL CNC(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1 ZINC001242159240 891353892 /nfs/dbraw/zinc/35/38/92/891353892.db2.gz FFJWDBOVVFUIAT-UHFFFAOYSA-N -2 0 300.270 1.505 20 0 DDADRL Cc1ccc(S(=O)(=O)NCCCC[P@@](=O)([O-])O)c(C)c1 ZINC001259104231 898471615 /nfs/dbraw/zinc/47/16/15/898471615.db2.gz MTVLZPVPCJRDIK-UHFFFAOYSA-N -2 0 321.335 1.540 20 0 DDADRL Cc1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C)n1 ZINC001260221919 899095248 /nfs/dbraw/zinc/09/52/48/899095248.db2.gz AQOPVQSSNXGGQR-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL CS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)CC2CCC2)c1 ZINC000379704986 900598834 /nfs/dbraw/zinc/59/88/34/900598834.db2.gz MCSPYSYGTUGLKI-UHFFFAOYSA-N -2 0 319.404 1.338 20 0 DDADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CC(C)(C)C(=O)[O-] ZINC000315878064 354498447 /nfs/dbraw/zinc/49/84/47/354498447.db2.gz BNAXEVZIXNCONN-UHFFFAOYSA-N -2 0 323.374 1.856 20 0 DDADRL C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000566313938 304143340 /nfs/dbraw/zinc/14/33/40/304143340.db2.gz VASORZRUISJWMK-WKEGUHRASA-N -2 0 321.301 1.582 20 0 DDADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000352443758 285054495 /nfs/dbraw/zinc/05/44/95/285054495.db2.gz QCUKSONRBSAKPM-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL C[C@@H]1CCN(C(=O)N=c2ccc(C3CC3)n[n-]2)C[C@H]1C(=O)[O-] ZINC000568884085 304319476 /nfs/dbraw/zinc/31/94/76/304319476.db2.gz GLXIEWSYVPQBOU-MWLCHTKSSA-N -2 0 304.350 1.350 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cn1C ZINC000050253232 407129350 /nfs/dbraw/zinc/12/93/50/407129350.db2.gz SNAMVSFSFVEZLV-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL CCc1ccc(S(=O)(=O)[N-]c2cnn(CC)c2)cc1C(=O)[O-] ZINC000152943171 407719824 /nfs/dbraw/zinc/71/98/24/407719824.db2.gz GBUGEIMGMXJTAR-UHFFFAOYSA-N -2 0 323.374 1.964 20 0 DDADRL Cc1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)nc1 ZINC000154907617 408100677 /nfs/dbraw/zinc/10/06/77/408100677.db2.gz HHGDEKJENRMGGP-UHFFFAOYSA-N -2 0 311.301 1.288 20 0 DDADRL Cn1nccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-] ZINC000134335576 162075769 /nfs/dbraw/zinc/07/57/69/162075769.db2.gz GUSMBMJOHYXMNP-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]OCc1ccccc1 ZINC000183644297 408461745 /nfs/dbraw/zinc/46/17/45/408461745.db2.gz GNEDFBTYJPQSJS-NSHDSACASA-N -2 0 318.295 1.938 20 0 DDADRL CCc1n[n-]c(=NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)s1 ZINC000346590403 410027301 /nfs/dbraw/zinc/02/73/01/410027301.db2.gz FDLTUDCBNNNIML-UHFFFAOYSA-N -2 0 317.330 1.118 20 0 DDADRL O=C([N-][C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)C(F)F ZINC000365507109 418869439 /nfs/dbraw/zinc/86/94/39/418869439.db2.gz LEBZWWGVFDTBDQ-ZETCQYMHSA-N -2 0 305.647 1.463 20 0 DDADRL Cn1nncc1S(=O)(=O)[N-]c1ccccc1CCCC(=O)[O-] ZINC000650418906 423151809 /nfs/dbraw/zinc/15/18/09/423151809.db2.gz UGJORQBIWJFOBV-UHFFFAOYSA-N -2 0 324.362 1.023 20 0 DDADRL Cc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000433811639 229236608 /nfs/dbraw/zinc/23/66/08/229236608.db2.gz ROKZMBQTLAUXKV-UHFFFAOYSA-N -2 0 314.294 1.930 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2O)c[nH]1 ZINC000433838572 229239809 /nfs/dbraw/zinc/23/98/09/229239809.db2.gz YWRVOYQKVQZRJL-UHFFFAOYSA-N -2 0 300.267 1.358 20 0 DDADRL COc1ccc(C(=O)N=c2nc([C@H](C)OC)[n-]s2)c([O-])c1 ZINC000436592094 420342239 /nfs/dbraw/zinc/34/22/39/420342239.db2.gz ZLLLHNPPKWWTIS-ZETCQYMHSA-N -2 0 309.347 1.634 20 0 DDADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc3n2CCC3)cc1O ZINC000436635769 420347646 /nfs/dbraw/zinc/34/76/46/420347646.db2.gz WJIPMXPNZIXISC-UHFFFAOYSA-N -2 0 323.330 1.034 20 0 DDADRL COC[C@@H](C)S(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])cc1OC ZINC000548590441 421451638 /nfs/dbraw/zinc/45/16/38/421451638.db2.gz XNRGHWPQCAKNCD-SSDOTTSWSA-N -2 0 321.326 1.309 20 0 DDADRL O=C([O-])C1CCN(S(=O)(=O)c2cccc(Cl)c2[O-])CC1 ZINC000630440542 422104789 /nfs/dbraw/zinc/10/47/89/422104789.db2.gz DFSAYEOKUWRVSJ-UHFFFAOYSA-N -2 0 319.766 1.531 20 0 DDADRL C[C@H]1CN(C(=O)N=c2ccc(C3CC3)n[n-]2)CC[C@@H]1C(=O)[O-] ZINC000630563931 422181964 /nfs/dbraw/zinc/18/19/64/422181964.db2.gz SQLCNPMDXQWAIM-ONGXEEELSA-N -2 0 304.350 1.350 20 0 DDADRL CC(C)C[C@H](CNC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC000424429774 279152500 /nfs/dbraw/zinc/15/25/00/279152500.db2.gz KMXZXHDIHLPWOX-UTUOFQBUSA-N -2 0 314.382 1.486 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CC1CCCC1)C(=O)[O-] ZINC000548541141 307775409 /nfs/dbraw/zinc/77/54/09/307775409.db2.gz WZCFLHUEKYIQTK-VXNVDRBHSA-N -2 0 317.329 1.890 20 0 DDADRL CO[C@@H](C)c1nc(=N[C@H](C)c2ncc(C(=O)[O-])s2)s[n-]1 ZINC000575320306 308274638 /nfs/dbraw/zinc/27/46/38/308274638.db2.gz PUCSRURFIKPTFI-RITPCOANSA-N -2 0 314.392 1.995 20 0 DDADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cnc3ccccc3c2O)C1 ZINC000398997523 337313472 /nfs/dbraw/zinc/31/34/72/337313472.db2.gz KXZYFTRLWLOPOD-GHMZBOCLSA-N -2 0 314.341 1.711 20 0 DDADRL O=C(Nc1cc(Cl)c([O-])cc1F)c1n[nH]c(=O)[n-]c1=O ZINC000672485808 485306021 /nfs/dbraw/zinc/30/60/21/485306021.db2.gz APVYZDJZWPARPG-UHFFFAOYSA-N -2 0 300.633 1.033 20 0 DDADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1 ZINC000433803840 534506174 /nfs/dbraw/zinc/50/61/74/534506174.db2.gz WCNYJVFJKQMUAH-UHFFFAOYSA-N -2 0 307.327 1.820 20 0 DDADRL CC[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccccc1 ZINC000736848032 600460396 /nfs/dbraw/zinc/46/03/96/600460396.db2.gz LMDNLPGSJOZAEK-LBPRGKRZSA-N -2 0 313.375 1.491 20 0 DDADRL C[C@@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1CCCCC1 ZINC000736547507 600462115 /nfs/dbraw/zinc/46/21/15/600462115.db2.gz CREBAXJJDTWJMM-NSHDSACASA-N -2 0 319.423 1.904 20 0 DDADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)cn1 ZINC000038030506 600530243 /nfs/dbraw/zinc/53/02/43/600530243.db2.gz LBAPGHXMIIXTFG-UHFFFAOYSA-N -2 0 315.738 1.422 20 0 DDADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cc1 ZINC000316226646 600981953 /nfs/dbraw/zinc/98/19/53/600981953.db2.gz OUFIQVCFFYTRAS-UHFFFAOYSA-N -2 0 322.342 1.979 20 0 DDADRL Cc1oc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)cc1C(=O)[O-] ZINC000833029736 601230856 /nfs/dbraw/zinc/23/08/56/601230856.db2.gz LROCFXBLEQLODB-UHFFFAOYSA-N -2 0 321.314 1.963 20 0 DDADRL CCC1(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CCC1 ZINC000829033395 601363406 /nfs/dbraw/zinc/36/34/06/601363406.db2.gz MIJDHRRZSRBOKP-UHFFFAOYSA-N -2 0 317.388 1.832 20 0 DDADRL CC[C@@](C)(CC(=O)[O-])NC(=O)CSc1n[n-]c(=S)s1 ZINC000828628769 601468496 /nfs/dbraw/zinc/46/84/96/601468496.db2.gz SGOKJBIPEXNPIU-JTQLQIEISA-N -2 0 321.449 1.679 20 0 DDADRL O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000740458761 601947847 /nfs/dbraw/zinc/94/78/47/601947847.db2.gz XELGGXFWXOWGOL-ZIAGYGMSSA-N -2 0 320.345 1.666 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)C[C@]2(C(=O)[O-])CCSC2)c1 ZINC000738621449 601950522 /nfs/dbraw/zinc/95/05/22/601950522.db2.gz XGAZVYAPIPYYMO-OAHLLOKOSA-N -2 0 323.370 1.850 20 0 DDADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000827304449 602179077 /nfs/dbraw/zinc/17/90/77/602179077.db2.gz VGXYWSGLGRYLIB-SSDOTTSWSA-N -2 0 305.739 1.256 20 0 DDADRL CCCc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)[nH]n1 ZINC000228328307 602305741 /nfs/dbraw/zinc/30/57/41/602305741.db2.gz LGDGRAFIVUPYGU-UHFFFAOYSA-N -2 0 315.376 1.923 20 0 DDADRL CC(C)N(C)S(=O)(=O)[N-]C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736457213 602672551 /nfs/dbraw/zinc/67/25/51/602672551.db2.gz CXEGNQHJAMQJNX-UHFFFAOYSA-N -2 0 315.351 1.091 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000739251275 602748322 /nfs/dbraw/zinc/74/83/22/602748322.db2.gz ADOWRDHXMOFEAM-JTQLQIEISA-N -2 0 306.384 1.011 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1NC(=O)[O-] ZINC000739924949 603294700 /nfs/dbraw/zinc/29/47/00/603294700.db2.gz FKQWGCUGVNOEQV-UHFFFAOYSA-N -2 0 312.307 1.309 20 0 DDADRL C[C@H](CCNC(=O)CSc1n[n-]c(=S)s1)NC(=O)[O-] ZINC000824786502 603482761 /nfs/dbraw/zinc/48/27/61/603482761.db2.gz MXNFHOSPLGLSIY-RXMQYKEDSA-N -2 0 322.437 1.081 20 0 DDADRL CC(C)C[C@@H](NC(=O)[O-])C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000833479556 605106199 /nfs/dbraw/zinc/10/61/99/605106199.db2.gz NEZIJOZPJSNCQS-GFCCVEGCSA-N -2 0 308.334 1.683 20 0 DDADRL CC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C)sc1C ZINC000827524374 605232657 /nfs/dbraw/zinc/23/26/57/605232657.db2.gz IXJNJWJLWDNTQS-QMMMGPOBSA-N -2 0 320.392 1.216 20 0 DDADRL O=C([O-])N1CCO[C@@H](CC(=O)Nc2cccc(Cl)c2[O-])C1 ZINC000831392306 605305595 /nfs/dbraw/zinc/30/55/95/605305595.db2.gz APHKAUOGBZSRKB-QMMMGPOBSA-N -2 0 314.725 1.753 20 0 DDADRL O=C([O-])N1CCc2ccccc2[C@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000831742730 605684052 /nfs/dbraw/zinc/68/40/52/605684052.db2.gz OYQAUSJFYNJVGG-KGLIPLIRSA-N -2 0 320.345 1.838 20 0 DDADRL O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000831779111 605797539 /nfs/dbraw/zinc/79/75/39/605797539.db2.gz ZTIDGYJQYUKFHJ-IONNQARKSA-N -2 0 323.330 1.168 20 0 DDADRL O=C([O-])N1CC[C@@H](C(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)C1 ZINC000834014130 606049680 /nfs/dbraw/zinc/04/96/80/606049680.db2.gz HIWMLIOPYFISOL-BZNIZROVSA-N -2 0 318.329 1.029 20 0 DDADRL O=C([O-])N[C@@H](CC(=O)NC1(C(=O)[O-])CCC1)Cc1ccccc1 ZINC000834123658 606066899 /nfs/dbraw/zinc/06/68/99/606066899.db2.gz SKRZFYHGIAMSEA-GFCCVEGCSA-N -2 0 320.345 1.379 20 0 DDADRL CC[C@@H](CNS(=O)(=O)c1cccnc1Cl)CC(=O)[O-] ZINC000147364271 696874071 /nfs/dbraw/zinc/87/40/71/696874071.db2.gz LSCCTVGCPFOEKE-MRVPVSSYSA-N -2 0 306.771 1.514 20 0 DDADRL O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(=O)[nH]c2)c1 ZINC000314352378 698688530 /nfs/dbraw/zinc/68/85/30/698688530.db2.gz BVAAFLKNDOEVMY-UHFFFAOYSA-N -2 0 312.278 1.425 20 0 DDADRL O=S(=O)([N-]N=c1c(F)c(F)[n-]c(F)c1F)c1ccco1 ZINC000783524524 698847378 /nfs/dbraw/zinc/84/73/78/698847378.db2.gz SXNUETXUXGKPNO-UHFFFAOYSA-N -2 0 311.216 1.536 20 0 DDADRL Cc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000768284058 701166369 /nfs/dbraw/zinc/16/63/69/701166369.db2.gz AUCKSMCLAVWWHW-UHFFFAOYSA-N -2 0 314.294 1.930 20 0 DDADRL Cc1oncc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000771219197 701313942 /nfs/dbraw/zinc/31/39/42/701313942.db2.gz FCDQEFIWIXNSAW-UHFFFAOYSA-N -2 0 300.267 1.621 20 0 DDADRL O=C([O-])CCn1cc(-c2ccccc2[C@H](O)CC(=O)[O-])cn1 ZINC000849476926 703652450 /nfs/dbraw/zinc/65/24/50/703652450.db2.gz YXYWJEYUINYDQT-CYBMUJFWSA-N -2 0 304.302 1.533 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000863955001 706045772 /nfs/dbraw/zinc/04/57/72/706045772.db2.gz WJQOGMRIHVSZPU-ZANVPECISA-N -2 0 305.396 1.370 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])sc1C ZINC000863956878 706046199 /nfs/dbraw/zinc/04/61/99/706046199.db2.gz HWPLFTBWJSPISX-UHFFFAOYSA-N -2 0 319.404 1.815 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CC2)sc1C ZINC000863957621 706046630 /nfs/dbraw/zinc/04/66/30/706046630.db2.gz QRITXEFLNPZKCG-SNVBAGLBSA-N -2 0 317.388 1.281 20 0 DDADRL CS[C@@H]1CC[C@H](NS(=O)(=O)c2occc2C(=O)[O-])C1 ZINC000871994537 707273317 /nfs/dbraw/zinc/27/33/17/707273317.db2.gz XAKFOZZILIAPRA-JGVFFNPUSA-N -2 0 305.377 1.540 20 0 DDADRL O=C([O-])[C@@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)CCO1 ZINC000909216935 712966057 /nfs/dbraw/zinc/96/60/57/712966057.db2.gz JOSYILJOMMMFNN-VIFPVBQESA-N -2 0 303.673 1.110 20 0 DDADRL CCC[C@@H]1CCC[C@@H]1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910181161 709800537 /nfs/dbraw/zinc/80/05/37/709800537.db2.gz CGMJBCDOTIMTDI-NDBYEHHHSA-N -2 0 311.378 1.979 20 0 DDADRL C/C(=C\C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1cccs1 ZINC000910183258 709800773 /nfs/dbraw/zinc/80/07/73/709800773.db2.gz LZOWHXCXYHRIDT-HDNGXNTCSA-N -2 0 323.370 1.928 20 0 DDADRL C[C@H](CC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])C(F)(F)F ZINC000910182934 709800854 /nfs/dbraw/zinc/80/08/54/709800854.db2.gz JYJQKXYUFXKKIE-PRJMDXOYSA-N -2 0 311.256 1.351 20 0 DDADRL CCCCS[C@H](C)C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910189850 709804492 /nfs/dbraw/zinc/80/44/92/709804492.db2.gz VJPJEKHUHSBREN-VWYCJHECSA-N -2 0 317.407 1.685 20 0 DDADRL Cc1cc(F)ccc1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910192903 709806479 /nfs/dbraw/zinc/80/64/79/709806479.db2.gz XCYYFNVBWKGGSF-SKDRFNHKSA-N -2 0 309.293 1.524 20 0 DDADRL C[C@@H]1CCN(C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)C[C@H]1C(=O)[O-] ZINC000901700289 710124141 /nfs/dbraw/zinc/12/41/41/710124141.db2.gz PSVAZUJEKACSKN-NXEZZACHSA-N -2 0 311.378 1.693 20 0 DDADRL C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000906786835 712411635 /nfs/dbraw/zinc/41/16/35/712411635.db2.gz PSZLVYCZMHKDLE-HTQZYQBOSA-N -2 0 319.766 1.529 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)CC(=O)[O-] ZINC000917729375 713511460 /nfs/dbraw/zinc/51/14/60/713511460.db2.gz FFVDHTNAPFWHEG-MRVPVSSYSA-N -2 0 315.347 1.089 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cnc(C)nc2C)cc1C(=O)[O-] ZINC001184664838 744080342 /nfs/dbraw/zinc/08/03/42/744080342.db2.gz VNMQUWVXQGKILE-UHFFFAOYSA-N -2 0 321.358 1.901 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnc(C)n1 ZINC001185871659 744297074 /nfs/dbraw/zinc/29/70/74/744297074.db2.gz TVWXZQPNNODHOG-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)nc(C)n1 ZINC001185869102 744303475 /nfs/dbraw/zinc/30/34/75/744303475.db2.gz LIXKRBMOZVWPEY-UHFFFAOYSA-N -2 0 321.358 1.901 20 0 DDADRL C[C@]1(NC(=O)c2ccccc2OP(=O)([O-])[O-])CCCOC1 ZINC001189904950 745023268 /nfs/dbraw/zinc/02/32/68/745023268.db2.gz KCLOLKLLLXGXGY-ZDUSSCGKSA-N -2 0 315.262 1.457 20 0 DDADRL CC(C)[C@@H](C)NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189913856 745029627 /nfs/dbraw/zinc/02/96/27/745029627.db2.gz FEXKNJCTVIUJRW-MRVPVSSYSA-N -2 0 315.347 1.406 20 0 DDADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ncc(F)cc2F)cc1 ZINC001190182520 745142492 /nfs/dbraw/zinc/14/24/92/745142492.db2.gz AWPDOQWBRUQWFK-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL Cc1cncc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)n1 ZINC001192099797 745690770 /nfs/dbraw/zinc/69/07/70/745690770.db2.gz BISASIYIPYTMPJ-UHFFFAOYSA-N -2 0 321.358 1.603 20 0 DDADRL C[C@@H](NC(=O)NCCOP(=O)([O-])[O-])c1ccc(F)cc1 ZINC001193157806 746000993 /nfs/dbraw/zinc/00/09/93/746000993.db2.gz QDIOXLLLXPZSGH-MRVPVSSYSA-N -2 0 306.230 1.295 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(Cl)nc2c1CCCN2 ZINC001168585681 751174312 /nfs/dbraw/zinc/17/43/12/751174312.db2.gz BRQGFCBAFIBFKP-UHFFFAOYSA-N -2 0 308.662 1.009 20 0 DDADRL C[C@@H]1OCc2c1nc(Cl)nc2NCCOP(=O)([O-])[O-] ZINC001168586383 751178057 /nfs/dbraw/zinc/17/80/57/751178057.db2.gz JJJHDKQFJZNNKS-YFKPBYRVSA-N -2 0 309.646 1.242 20 0 DDADRL CCOC(=O)Cc1ccnc(NCCOP(=O)([O-])[O-])c1C ZINC001168587146 751183147 /nfs/dbraw/zinc/18/31/47/751183147.db2.gz OYHODOJAWPEMDU-UHFFFAOYSA-N -2 0 318.266 1.017 20 0 DDADRL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-]Cc1nccc(Cl)n1 ZINC001180176768 779636704 /nfs/dbraw/zinc/63/67/04/779636704.db2.gz OARBXHOXJAGTRJ-UHFFFAOYSA-N -2 0 315.610 1.101 20 0 DDADRL O=P([O-])([O-])OCCNc1ncc(F)c(-c2ccsc2)n1 ZINC001157795790 864149177 /nfs/dbraw/zinc/14/91/77/864149177.db2.gz LDCLFULCJSRBCV-UHFFFAOYSA-N -2 0 319.254 1.865 20 0 DDADRL CC(C)c1cccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001225239963 881736960 /nfs/dbraw/zinc/73/69/60/881736960.db2.gz MQVCHKFLFRULKK-YPMHNXCESA-N -2 0 310.302 1.252 20 0 DDADRL Cc1cccc(Cl)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001226389008 882402047 /nfs/dbraw/zinc/40/20/47/882402047.db2.gz UBTVIWPQSLRTFG-GMSGAONNSA-N -2 0 316.693 1.090 20 0 DDADRL O=C([O-])c1ccc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)s1 ZINC001240847918 891069979 /nfs/dbraw/zinc/06/99/79/891069979.db2.gz SKEZTFOKMGXUNV-UHFFFAOYSA-N -2 0 324.339 1.937 20 0 DDADRL CN(C)C(=O)c1ncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001242164900 891358603 /nfs/dbraw/zinc/35/86/03/891358603.db2.gz SHHNRRIGABHHFA-UHFFFAOYSA-N -2 0 315.285 1.242 20 0 DDADRL CC(C)(CO)n1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cn1 ZINC001244103982 891799177 /nfs/dbraw/zinc/79/91/77/891799177.db2.gz WPXLTBQNGDVTOU-UHFFFAOYSA-N -2 0 304.302 1.674 20 0 DDADRL COC(=O)Cc1cccc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001244220763 891817807 /nfs/dbraw/zinc/81/78/07/891817807.db2.gz AOHJLXXRSGHLJS-UHFFFAOYSA-N -2 0 306.254 1.872 20 0 DDADRL O=c1cc(CNS(=O)(=O)c2cc(Cl)ccc2F)o[n-]1 ZINC001259460477 898680293 /nfs/dbraw/zinc/68/02/93/898680293.db2.gz HDNALAWQEXWFBU-UHFFFAOYSA-N -2 0 306.702 1.651 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnnc2)ccc1Cl ZINC000701890753 902382599 /nfs/dbraw/zinc/38/25/99/902382599.db2.gz KVRFKQRGAOULHN-UHFFFAOYSA-N -2 0 313.722 1.629 20 0 DDADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cn2)cc1 ZINC000088248232 185243445 /nfs/dbraw/zinc/24/34/45/185243445.db2.gz HZQLNAQFAHDDGB-UHFFFAOYSA-N -2 0 310.306 1.649 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2cc(C)n(C)n2)cc1C(=O)[O-] ZINC000314551199 539294717 /nfs/dbraw/zinc/29/47/17/539294717.db2.gz SASIQKOAZITIIF-UHFFFAOYSA-N -2 0 312.351 1.049 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c1 ZINC000092890023 185348052 /nfs/dbraw/zinc/34/80/52/185348052.db2.gz RUPVXRLXCUYIKH-UHFFFAOYSA-N -2 0 309.347 1.331 20 0 DDADRL CC[C@H](C)c1ncc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1 ZINC000358491461 299171702 /nfs/dbraw/zinc/17/17/02/299171702.db2.gz KBOAVQDYGNLUQG-QMMMGPOBSA-N -2 0 324.362 1.817 20 0 DDADRL Cc1ccc(-n2[n-]c(C(=O)N(C)[C@@H](C)C(=O)[O-])cc2=O)cc1 ZINC000262888966 186319594 /nfs/dbraw/zinc/31/95/94/186319594.db2.gz NMMVVQGKWGNQMI-JTQLQIEISA-N -2 0 303.318 1.019 20 0 DDADRL CCc1ccccc1-n1cc([O-])c(C(=O)N(C)[C@H](C)C(=O)[O-])n1 ZINC000564968306 304031262 /nfs/dbraw/zinc/03/12/62/304031262.db2.gz WUFPDXBZKBJDRF-SNVBAGLBSA-N -2 0 317.345 1.685 20 0 DDADRL O=C([O-])CSCC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000593924853 356064278 /nfs/dbraw/zinc/06/42/78/356064278.db2.gz ZPSPNQJLFABUON-MNOVXSKESA-N -2 0 309.343 1.234 20 0 DDADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000079701291 191963236 /nfs/dbraw/zinc/96/32/36/191963236.db2.gz FUDXZZNKRAIASF-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)nc1 ZINC000350865221 284272647 /nfs/dbraw/zinc/27/26/47/284272647.db2.gz AUOKNVKNBNRVKE-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000285185944 218324550 /nfs/dbraw/zinc/32/45/50/218324550.db2.gz ROYIQJLLNCDSRA-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-] ZINC000352437467 285050311 /nfs/dbraw/zinc/05/03/11/285050311.db2.gz NHCSZMPUIWTXFL-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cn1 ZINC000436670306 533069934 /nfs/dbraw/zinc/06/99/34/533069934.db2.gz DXOXDHWLIXTAHS-UHFFFAOYSA-N -2 0 324.314 1.295 20 0 DDADRL O=C([O-])CCC[C@@H](NS(=O)(=O)CCC1CCCC1)C(=O)[O-] ZINC000569928228 304384761 /nfs/dbraw/zinc/38/47/61/304384761.db2.gz GRCWICPUQAYIRZ-LLVKDONJSA-N -2 0 321.395 1.194 20 0 DDADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000037396379 406988887 /nfs/dbraw/zinc/98/88/87/406988887.db2.gz TVYWYOLKTCVNPE-UHFFFAOYSA-N -2 0 313.310 1.665 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C)nc1 ZINC000343261292 410285517 /nfs/dbraw/zinc/28/55/17/410285517.db2.gz QOXZFBWEFXDWHN-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL CSc1nc([N-]S(=O)(=O)Cc2ccccc2F)n[nH]1 ZINC000358175960 410393703 /nfs/dbraw/zinc/39/37/03/410393703.db2.gz VTRXEOWBUQRWGJ-UHFFFAOYSA-N -2 0 302.356 1.608 20 0 DDADRL CO[C@@H](C)c1nc(=NC(=O)NCCCCCC(=O)[O-])s[n-]1 ZINC000417774888 225435506 /nfs/dbraw/zinc/43/55/06/225435506.db2.gz LOCGEECDBDGLRB-QMMMGPOBSA-N -2 0 316.383 1.434 20 0 DDADRL CCn1nccc1S(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-] ZINC000471918261 420957643 /nfs/dbraw/zinc/95/76/43/420957643.db2.gz IPTKPGKSEMLFKP-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL COCCc1nc(=NCCc2cccc(C(=O)[O-])c2)s[n-]1 ZINC000563213460 421472738 /nfs/dbraw/zinc/47/27/38/421472738.db2.gz IIXCNRCEMCBIPN-UHFFFAOYSA-N -2 0 307.375 1.502 20 0 DDADRL C[C@H]1CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC000570277026 421634295 /nfs/dbraw/zinc/63/42/95/421634295.db2.gz USHXHRRFUFFQIW-GWCFXTLKSA-N -2 0 320.345 1.637 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cn(C)nc1C ZINC000571066523 421686093 /nfs/dbraw/zinc/68/60/93/421686093.db2.gz YHRJLISFGZWZKS-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL COc1ccc(CN=c2nc([C@@H](C)OC)[n-]s2)cc1C(=O)[O-] ZINC000649400201 423858060 /nfs/dbraw/zinc/85/80/60/423858060.db2.gz OPHSDMSBDPMPLX-MRVPVSSYSA-N -2 0 323.374 1.986 20 0 DDADRL O=C([O-])CN(C(=O)c1nn(-c2ccccc2)cc1[O-])C1CCC1 ZINC000655588628 424583360 /nfs/dbraw/zinc/58/33/60/424583360.db2.gz LEMDVRJVRKLSSC-UHFFFAOYSA-N -2 0 315.329 1.657 20 0 DDADRL CC1(C(=O)[O-])CCN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000665316297 424780974 /nfs/dbraw/zinc/78/09/74/424780974.db2.gz BGEDDWCSFCBKQP-NSHDSACASA-N -2 0 312.366 1.384 20 0 DDADRL O=C([O-])C[C@H]1CCCN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000665318244 424781434 /nfs/dbraw/zinc/78/14/34/424781434.db2.gz SFPHGZJTXLSARV-PWSUYJOCSA-N -2 0 312.366 1.384 20 0 DDADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)CC(=O)[O-] ZINC000547455666 303532067 /nfs/dbraw/zinc/53/20/67/303532067.db2.gz AWEUYQYNYZAWPD-UHFFFAOYSA-N -2 0 315.347 1.213 20 0 DDADRL C[C@@H]([C@@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-])C1CC1 ZINC000548866737 303594114 /nfs/dbraw/zinc/59/41/14/303594114.db2.gz SIAWUJBMZHOQQN-ATRFCDNQSA-N -2 0 303.302 1.356 20 0 DDADRL COCc1nc(=N[C@@H](C)c2ncc(C(=O)[O-])s2)s[n-]1 ZINC000569697259 308146499 /nfs/dbraw/zinc/14/64/99/308146499.db2.gz LBXVXNKGMHVBCY-YFKPBYRVSA-N -2 0 300.365 1.434 20 0 DDADRL COC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccco1 ZINC000572360411 308219031 /nfs/dbraw/zinc/21/90/31/308219031.db2.gz WSYOBBFEDGJRMI-SECBINFHSA-N -2 0 315.303 1.237 20 0 DDADRL CC(C)(CCC(=O)[O-])NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000663022414 484606949 /nfs/dbraw/zinc/60/69/49/484606949.db2.gz JSXVEADMJJKLTR-UHFFFAOYSA-N -2 0 309.318 1.523 20 0 DDADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000663118299 484681774 /nfs/dbraw/zinc/68/17/74/484681774.db2.gz CLMSFNUMKCSVIX-PXAZEXFGSA-N -2 0 321.373 1.892 20 0 DDADRL O=C([O-])[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000739545665 599729881 /nfs/dbraw/zinc/72/98/81/599729881.db2.gz ABWZOPBLKRKZHS-OLZOCXBDSA-N -2 0 321.354 1.140 20 0 DDADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c1 ZINC000738606869 599739355 /nfs/dbraw/zinc/73/93/55/599739355.db2.gz QXWWKXNLQFPGEZ-UHFFFAOYSA-N -2 0 313.310 1.216 20 0 DDADRL CCCc1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1 ZINC000737045768 600460381 /nfs/dbraw/zinc/46/03/81/600460381.db2.gz ZZZJNJDEEIFOHA-UHFFFAOYSA-N -2 0 313.375 1.564 20 0 DDADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cn1 ZINC000387015256 600529872 /nfs/dbraw/zinc/52/98/72/600529872.db2.gz JWMXZZZOMKVXOZ-UHFFFAOYSA-N -2 0 321.358 1.257 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)CCSCC(=O)[O-] ZINC000736894113 600549687 /nfs/dbraw/zinc/54/96/87/600549687.db2.gz FURZGVVPMVFXBO-UHFFFAOYSA-N -2 0 311.425 1.077 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)nnc1C ZINC000738546334 600576799 /nfs/dbraw/zinc/57/67/99/600576799.db2.gz UJOCMWROKMHJJS-UHFFFAOYSA-N -2 0 321.358 1.901 20 0 DDADRL Cc1cc(F)ccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000035651681 600672950 /nfs/dbraw/zinc/67/29/50/600672950.db2.gz FHGSTRNZZKLRRX-UHFFFAOYSA-N -2 0 313.310 1.216 20 0 DDADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)NCCC(=O)[O-])n2)c1 ZINC000736522203 600941309 /nfs/dbraw/zinc/94/13/09/600941309.db2.gz WHFXBKRCXOBSJR-UHFFFAOYSA-N -2 0 317.345 1.906 20 0 DDADRL O=C([O-])CCCCCNS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013299880 601151811 /nfs/dbraw/zinc/15/18/11/601151811.db2.gz AJXYKQUSKORGKW-UHFFFAOYSA-N -2 0 321.376 1.370 20 0 DDADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccnc1 ZINC000831945947 601201053 /nfs/dbraw/zinc/20/10/53/601201053.db2.gz MUAKHWRSVVDKFI-UHFFFAOYSA-N -2 0 314.344 1.651 20 0 DDADRL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1F ZINC000831585636 601266850 /nfs/dbraw/zinc/26/68/50/601266850.db2.gz OGPATXNKRRWJLR-LBPRGKRZSA-N -2 0 323.317 1.123 20 0 DDADRL CCC[C@@H](NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1nnn[n-]1 ZINC000829230101 601305084 /nfs/dbraw/zinc/30/50/84/601305084.db2.gz FPBIEUFYANZWJT-MRVPVSSYSA-N -2 0 306.326 1.114 20 0 DDADRL Cc1nnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)s1 ZINC000123505450 601501329 /nfs/dbraw/zinc/50/13/29/601501329.db2.gz HHPQYORWXSHUJF-UHFFFAOYSA-N -2 0 313.360 1.654 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccn2)c[nH]1 ZINC000236458709 601769055 /nfs/dbraw/zinc/76/90/55/601769055.db2.gz XZLHQICHHDURIA-UHFFFAOYSA-N -2 0 301.711 1.562 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])no1 ZINC000830223950 601847876 /nfs/dbraw/zinc/84/78/76/601847876.db2.gz AYNMGXSGLLFIRR-UHFFFAOYSA-N -2 0 314.294 1.875 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC23CCC3)c1 ZINC000833332693 601977068 /nfs/dbraw/zinc/97/70/68/601977068.db2.gz AHGPLIXYHNUAIX-NSHDSACASA-N -2 0 309.343 1.380 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1 ZINC000830429880 602117229 /nfs/dbraw/zinc/11/72/29/602117229.db2.gz WPNNAGOLRIOESB-UHFFFAOYSA-N -2 0 301.349 1.464 20 0 DDADRL CN(CCCC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)C(=O)[O-] ZINC000737431227 602405414 /nfs/dbraw/zinc/40/54/14/602405414.db2.gz QQPKARAVBBXWFU-UHFFFAOYSA-N -2 0 320.305 1.358 20 0 DDADRL CCN(CCNC(=O)CSc1n[n-]c(=S)s1)C(=O)[O-] ZINC000827135156 603444134 /nfs/dbraw/zinc/44/41/34/603444134.db2.gz YPDFSWMXLAJHNM-UHFFFAOYSA-N -2 0 322.437 1.035 20 0 DDADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2cccnc2)cc1F ZINC000833148974 604879680 /nfs/dbraw/zinc/87/96/80/604879680.db2.gz VNZYJAXJKWSXES-UHFFFAOYSA-N -2 0 324.289 1.038 20 0 DDADRL O=C([O-])[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2[O-])CCO1 ZINC000819319704 604995851 /nfs/dbraw/zinc/99/58/51/604995851.db2.gz ASQACKIONXFASJ-VIFPVBQESA-N -2 0 303.673 1.110 20 0 DDADRL Cc1[n-]n(CC(C)C)c(=O)c1C(=O)Nc1ccccc1C(=O)[O-] ZINC000833584390 605037558 /nfs/dbraw/zinc/03/75/58/605037558.db2.gz QCLUDYJPXWGZAT-CYBMUJFWSA-N -2 0 317.345 1.814 20 0 DDADRL O=C([O-])N1CC[C@H](S(=O)(=O)[N-]C(=O)C2CCCCCC2)C1 ZINC000831747044 605277219 /nfs/dbraw/zinc/27/72/19/605277219.db2.gz DCXUWBIBECRPDW-NSHDSACASA-N -2 0 318.395 1.155 20 0 DDADRL O=C([O-])N1CCC(OC(=O)c2c(F)cc([O-])cc2F)CC1 ZINC000834282587 605419317 /nfs/dbraw/zinc/41/93/17/605419317.db2.gz UGXFYMQBUWVTMO-UHFFFAOYSA-N -2 0 301.245 1.970 20 0 DDADRL O=C([O-])[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000833988169 606029561 /nfs/dbraw/zinc/02/95/61/606029561.db2.gz OODLKMAPPGCUNR-STQMWFEESA-N -2 0 320.345 1.331 20 0 DDADRL O=C([O-])C[C@H](NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1ccccc1 ZINC000834061750 606030469 /nfs/dbraw/zinc/03/04/69/606030469.db2.gz ZHEATHFDCZCOQN-UPJWGTAASA-N -2 0 320.345 1.755 20 0 DDADRL C[C@H](C(=O)[O-])N(C)C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833789831 606050871 /nfs/dbraw/zinc/05/08/71/606050871.db2.gz MBASOJNTOAPFTA-ZYHUDNBSSA-N -2 0 308.334 1.707 20 0 DDADRL O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000834169851 606067138 /nfs/dbraw/zinc/06/71/38/606067138.db2.gz MAVPEXKMGLSZMP-CBAPKCEASA-N -2 0 310.281 1.899 20 0 DDADRL O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCCN1C(=O)[O-])CC2 ZINC000834282774 606113908 /nfs/dbraw/zinc/11/39/08/606113908.db2.gz FOJLARMJFNNXOD-ZDUSSCGKSA-N -2 0 318.329 1.412 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2cccc(O)c2F)nc1Cl ZINC000131512171 696806922 /nfs/dbraw/zinc/80/69/22/696806922.db2.gz ULHNZWMKNVPEII-UHFFFAOYSA-N -2 0 305.718 1.719 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2cnn(C)c2)cc(C(=O)[O-])c1F ZINC000133423476 696825861 /nfs/dbraw/zinc/82/58/61/696825861.db2.gz GLEDRKFVMZWKAF-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL O=C([O-])C1(NC(=O)c2ccc3[n-]c(=S)oc3c2)CCOCC1 ZINC000852960360 704179153 /nfs/dbraw/zinc/17/91/53/704179153.db2.gz GEBYBYBGBKWMNM-UHFFFAOYSA-N -2 0 322.342 1.480 20 0 DDADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000863952241 706044523 /nfs/dbraw/zinc/04/45/23/706044523.db2.gz PICSYPUPAZNXFW-UHFFFAOYSA-N -2 0 317.338 1.522 20 0 DDADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)CCC1CCCC1 ZINC000863962920 706047291 /nfs/dbraw/zinc/04/72/91/706047291.db2.gz BMHJVSMXIGOIFC-CQSZACIVSA-N -2 0 317.407 1.514 20 0 DDADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)c1 ZINC000863965624 706047765 /nfs/dbraw/zinc/04/77/65/706047765.db2.gz NJFQWWRBQYJYOB-UHFFFAOYSA-N -2 0 319.285 1.242 20 0 DDADRL C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(Cl)c2[O-])C1 ZINC000864495913 706182111 /nfs/dbraw/zinc/18/21/11/706182111.db2.gz NCBMEXVGSHJEQD-GFCCVEGCSA-N -2 0 319.766 1.531 20 0 DDADRL O=C([O-])CN(C(=O)c1ccc([O-])c(Cl)c1)C1CCOCC1 ZINC000909024183 712919822 /nfs/dbraw/zinc/91/98/22/712919822.db2.gz OKDGLSCXZPKFKJ-UHFFFAOYSA-N -2 0 313.737 1.751 20 0 DDADRL CC(C)(C)SCC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910186055 709802729 /nfs/dbraw/zinc/80/27/29/709802729.db2.gz MRSJKCDTIVNDSI-IUCAKERBSA-N -2 0 303.380 1.295 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)/C=C\C2CCCCC2)C1 ZINC000910192448 709805492 /nfs/dbraw/zinc/80/54/92/709805492.db2.gz QHWSBLNGKSPVQS-VDQNYZKDSA-N -2 0 309.362 1.899 20 0 DDADRL O=C([O-])C[C@@H]1CC[C@H](N=c2nn[n-]n2Cc2ccccc2)C1 ZINC000910397305 709922885 /nfs/dbraw/zinc/92/28/85/709922885.db2.gz OQJZFVWWXLIVBY-OLZOCXBDSA-N -2 0 301.350 1.199 20 0 DDADRL C[C@@H]1CCCN(C(=O)Cc2ccccc2C(=O)[O-])[C@H]1C(=O)[O-] ZINC000901693346 710120275 /nfs/dbraw/zinc/12/02/75/710120275.db2.gz BXTRJKCKBQTQSC-QMTHXVAHSA-N -2 0 305.330 1.639 20 0 DDADRL O=C([O-])C1=NN(c2ccccc2)[C@@H](C(=O)[N-]OCCC2CC2)C1 ZINC000911808203 711005283 /nfs/dbraw/zinc/00/52/83/711005283.db2.gz DYNTWGSBPYTIEQ-CQSZACIVSA-N -2 0 317.345 1.554 20 0 DDADRL O=P([O-])([O-])OCCNc1cccnc1OCC(F)(F)F ZINC001168592787 751229181 /nfs/dbraw/zinc/22/91/81/751229181.db2.gz YDUXZYJXAPPKMM-UHFFFAOYSA-N -2 0 316.172 1.544 20 0 DDADRL O=P([O-])([O-])c1ccc(N[C@@H]2CCc3ccccc3[C@@H]2O)cc1 ZINC001169634045 762555958 /nfs/dbraw/zinc/55/59/58/762555958.db2.gz ZPFKXBKDTWJIEA-CVEARBPZSA-N -2 0 319.297 1.950 20 0 DDADRL O=P([O-])([O-])OCCNc1ncnc2nc(Cl)ccc21 ZINC001157788066 766646284 /nfs/dbraw/zinc/64/62/84/766646284.db2.gz ZCPGZHYTWFVAEF-UHFFFAOYSA-N -2 0 304.630 1.199 20 0 DDADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(N)c1 ZINC001174676592 777547390 /nfs/dbraw/zinc/54/73/90/777547390.db2.gz NXINBPKRZMHNSJ-UHFFFAOYSA-N -2 0 322.342 1.776 20 0 DDADRL COC(=O)c1nn(C)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237930 778088616 /nfs/dbraw/zinc/08/86/16/778088616.db2.gz HNXSCOFGSNACRO-UHFFFAOYSA-N -2 0 319.273 1.347 20 0 DDADRL Nc1cnc(N(c2cc(C(=O)[O-])cc(C(=O)[O-])c2)C2CC2)nc1 ZINC001176238574 778089079 /nfs/dbraw/zinc/08/90/79/778089079.db2.gz QXKSQXRPSMDIKZ-UHFFFAOYSA-N -2 0 314.301 1.756 20 0 DDADRL NC(=O)c1cncc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176237851 778089245 /nfs/dbraw/zinc/08/92/45/778089245.db2.gz GNJWLKRPAMADDW-UHFFFAOYSA-N -2 0 301.258 1.321 20 0 DDADRL Cn1ccc2c1nc(Cl)nc2NCCOP(=O)([O-])[O-] ZINC001157787578 864139640 /nfs/dbraw/zinc/13/96/40/864139640.db2.gz NHWFAUSCHIMZNM-UHFFFAOYSA-N -2 0 306.646 1.143 20 0 DDADRL O=P([O-])([O-])OCCNc1ccc(-c2cccs2)nn1 ZINC001157791381 864143799 /nfs/dbraw/zinc/14/37/99/864143799.db2.gz MQSZJTFHPRXRAL-UHFFFAOYSA-N -2 0 301.264 1.726 20 0 DDADRL Cc1ccc(-c2ccc(NCCOP(=O)([O-])[O-])nn2)cc1 ZINC001157795971 864149268 /nfs/dbraw/zinc/14/92/68/864149268.db2.gz OXJCOTAAJYGBKX-UHFFFAOYSA-N -2 0 309.262 1.973 20 0 DDADRL CC(C)(C)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1 ZINC001225257105 881745532 /nfs/dbraw/zinc/74/55/32/881745532.db2.gz HJSVBBMDNFEFAN-LLVKDONJSA-N -2 0 318.262 1.360 20 0 DDADRL O=C(N=c1ncnc2[nH][nH]cc1-2)c1c([O-])cc2ccccc2c1[O-] ZINC001154023314 864331337 /nfs/dbraw/zinc/33/13/37/864331337.db2.gz SLLDFCONNSKJTQ-UHFFFAOYSA-N -2 0 321.296 1.543 20 0 DDADRL O=C([O-])c1cc(F)c(-c2cccc(S(=O)(=O)[O-])n2)c(F)c1 ZINC001222386117 880431244 /nfs/dbraw/zinc/43/12/44/880431244.db2.gz KOOWQNVCGWVRMW-UHFFFAOYSA-N -2 0 315.253 1.972 20 0 DDADRL COC(C[C@H](C)Oc1ccc(OP(=O)([O-])[O-])cc1)OC ZINC001234331041 887867800 /nfs/dbraw/zinc/86/78/00/887867800.db2.gz BCGDIDVEZDGCIG-VIFPVBQESA-N -2 0 306.251 1.934 20 0 DDADRL COC(=O)[C@H]1C[C@@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234338980 887881447 /nfs/dbraw/zinc/88/14/47/887881447.db2.gz MZFFFCWJKMTGJF-DKTWLAJQSA-N -2 0 302.219 1.489 20 0 DDADRL O=C([O-])c1ccc(-c2ccc3c(c2)S(=O)(=O)[N-]C3=O)c(F)c1 ZINC001239262069 890573793 /nfs/dbraw/zinc/57/37/93/890573793.db2.gz OMPZOJIYAOGYOX-UHFFFAOYSA-N -2 0 321.285 1.623 20 0 DDADRL COc1cc(OC)nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242159568 891354619 /nfs/dbraw/zinc/35/46/19/891354619.db2.gz MTOMGKTZLGHKMJ-UHFFFAOYSA-N -2 0 304.258 1.557 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc3c(nn2)CCOC3)c1 ZINC001242160794 891355557 /nfs/dbraw/zinc/35/55/57/891355557.db2.gz PSOLWGPAEKHGKR-UHFFFAOYSA-N -2 0 300.270 1.613 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(-c3nn[nH]n3)nc2)c1 ZINC001242162295 891355674 /nfs/dbraw/zinc/35/56/74/891355674.db2.gz SUTKDIKWIWXADV-UHFFFAOYSA-N -2 0 311.257 1.325 20 0 DDADRL O=C1NCCc2cc(-c3ccc(P(=O)([O-])[O-])cc3)ccc21 ZINC001242326372 891391546 /nfs/dbraw/zinc/39/15/46/891391546.db2.gz GHOLQSHUVLPNIQ-UHFFFAOYSA-N -2 0 303.254 1.443 20 0 DDADRL O=C([O-])CCC(=O)Nc1ccc(-c2ccc(C(=O)[O-])nn2)cc1 ZINC001244029528 891778189 /nfs/dbraw/zinc/77/81/89/891778189.db2.gz NNKSHNJHEJMNBZ-UHFFFAOYSA-N -2 0 315.285 1.645 20 0 DDADRL O=c1ccn(-c2ccc([N-]S(=O)(=O)CC(F)(F)F)cc2)[n-]1 ZINC001253204445 895719756 /nfs/dbraw/zinc/71/97/56/895719756.db2.gz LVCYZFIADILYNJ-UHFFFAOYSA-N -2 0 321.280 1.882 20 0 DDADRL Cc1ccc(O)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC001260183580 899076077 /nfs/dbraw/zinc/07/60/77/899076077.db2.gz USOGNGQKQADBBB-UHFFFAOYSA-N -2 0 308.315 1.595 20 0 DDADRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cn1 ZINC001260208392 899090545 /nfs/dbraw/zinc/09/05/45/899090545.db2.gz MIYVBFAPZKUBSK-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL Cc1cnc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC001260220769 899093213 /nfs/dbraw/zinc/09/32/13/899093213.db2.gz MKGCSTVPCVNULS-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)Nc2cc(F)ncc2F)cc1 ZINC001260223543 899097200 /nfs/dbraw/zinc/09/72/00/899097200.db2.gz TWELRPYYZOVSJI-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL O=C(NCCc1n[n-]c(=S)o1)c1s[n-]c(=O)c1Cl ZINC001296731967 916541737 /nfs/dbraw/zinc/54/17/37/916541737.db2.gz IHNJYLHFNOIZPT-UHFFFAOYSA-N -2 0 306.756 1.146 20 0 DDADRL Cc1ccc(-n2[n-]c(C(=O)N[C@@H](C(=O)[O-])C(C)C)cc2=O)cc1 ZINC000236706059 201973958 /nfs/dbraw/zinc/97/39/58/201973958.db2.gz LTBAAWIUQSMENL-CQSZACIVSA-N -2 0 317.345 1.313 20 0 DDADRL O=C([O-])C[C@H](CNS(=O)(=O)CCC1CCCCC1)C(=O)[O-] ZINC000584823691 354775864 /nfs/dbraw/zinc/77/58/64/354775864.db2.gz PJMZOWHARXCJRK-LLVKDONJSA-N -2 0 321.395 1.052 20 0 DDADRL C[C@@H]1CN(C(=O)NC2CCC(C(=O)[O-])CC2)CC[C@H]1C(=O)[O-] ZINC000626765553 367732360 /nfs/dbraw/zinc/73/23/60/367732360.db2.gz HWOIAAVXVBLITN-HBIQZDMRSA-N -2 0 312.366 1.382 20 0 DDADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000352433075 285047191 /nfs/dbraw/zinc/04/71/91/285047191.db2.gz WMBHDRPHNIYQOE-UHFFFAOYSA-N -2 0 309.347 1.156 20 0 DDADRL O=C([O-])c1ccc(C[N-]S(=O)(=O)CC(F)(F)F)s1 ZINC000569573646 304364719 /nfs/dbraw/zinc/36/47/19/304364719.db2.gz TYLLZOGYJCMCQC-UHFFFAOYSA-N -2 0 303.283 1.428 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)nc1C ZINC000050265469 407130120 /nfs/dbraw/zinc/13/01/20/407130120.db2.gz ULLVSGXXFZEJQL-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL Cc1cnc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)s1 ZINC000151497891 407445559 /nfs/dbraw/zinc/44/55/59/407445559.db2.gz VJVLPLHUGRDPKM-UHFFFAOYSA-N -2 0 317.330 1.349 20 0 DDADRL O=C(CSc1n[n-]c(=S)s1)[N-]O[C@H]1CCCCO1 ZINC000267041014 407725108 /nfs/dbraw/zinc/72/51/08/407725108.db2.gz UFKHYVDPCFMRBU-ZETCQYMHSA-N -2 0 307.422 1.493 20 0 DDADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000270423916 408528763 /nfs/dbraw/zinc/52/87/63/408528763.db2.gz MFQHLTCRJMWLAD-UHFFFAOYSA-N -2 0 314.319 1.946 20 0 DDADRL O=C([O-])CCCCCNC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000238167599 163399329 /nfs/dbraw/zinc/39/93/29/163399329.db2.gz PLMFCDJEMRCWIP-UHFFFAOYSA-N -2 0 317.345 1.953 20 0 DDADRL CCc1oncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000337869673 409524647 /nfs/dbraw/zinc/52/46/47/409524647.db2.gz QDMGQSRNEWNFCA-UHFFFAOYSA-N -2 0 314.294 1.875 20 0 DDADRL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000314318845 409822048 /nfs/dbraw/zinc/82/20/48/409822048.db2.gz YJNAXUKEKZKZKZ-UHFFFAOYSA-N -2 0 320.298 1.266 20 0 DDADRL COC1CCN(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)CC1 ZINC000320359974 409902766 /nfs/dbraw/zinc/90/27/66/409902766.db2.gz MOHLEBQFFONCEO-UHFFFAOYSA-N -2 0 322.317 1.726 20 0 DDADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnc(C)nc1 ZINC000341322141 411003500 /nfs/dbraw/zinc/00/35/00/411003500.db2.gz KCBYNTOCBWWJCH-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL CNS(=O)(=O)c1cc(NC(=O)c2ccccc2O)ccc1F ZINC000436825568 420371345 /nfs/dbraw/zinc/37/13/45/420371345.db2.gz DJSUUKRMWRBBDS-UHFFFAOYSA-N -2 0 324.333 1.692 20 0 DDADRL CCSc1n[n-]c(=NC(=O)N2CC[C@@H](C(=O)[O-])C2)s1 ZINC000417730308 420462190 /nfs/dbraw/zinc/46/21/90/420462190.db2.gz NZDCWMHDXIJVLS-ZCFIWIBFSA-N -2 0 302.381 1.010 20 0 DDADRL CC(C)(C)CC[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)C(=O)[O-] ZINC000449143597 420960457 /nfs/dbraw/zinc/96/04/57/420960457.db2.gz IFFJKVDMAUTITI-QMMMGPOBSA-N -2 0 309.322 1.184 20 0 DDADRL CSCC[C@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000548243355 421413856 /nfs/dbraw/zinc/41/38/56/421413856.db2.gz SHMMRZLOOWYLLR-RITPCOANSA-N -2 0 309.331 1.063 20 0 DDADRL COCCc1nc(=NC[C@@H](C(=O)[O-])c2ccccc2)s[n-]1 ZINC000516869553 421573671 /nfs/dbraw/zinc/57/36/71/421573671.db2.gz KSHQSQBLMOIFNB-LLVKDONJSA-N -2 0 307.375 1.429 20 0 DDADRL C[C@H]1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)C[C@@H]1C(=O)[O-] ZINC000630444368 422106671 /nfs/dbraw/zinc/10/66/71/422106671.db2.gz DVWGAWHOPSJROH-UFBFGSQYSA-N -2 0 317.338 1.263 20 0 DDADRL CO[C@H]1CN(Cc2cc(=O)[nH]c(C3CC3)n2)[C@](C)(C(=O)[O-])C1 ZINC000634695398 422555847 /nfs/dbraw/zinc/55/58/47/422555847.db2.gz UOIXZRSVWHYBHD-ABAIWWIYSA-N -2 0 307.350 1.124 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000653323946 423440976 /nfs/dbraw/zinc/44/09/76/423440976.db2.gz AWAKMTYHBGDARB-MLGOLLRUSA-N -2 0 307.346 1.502 20 0 DDADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCCC(=O)[O-])n1 ZINC000357393574 306881090 /nfs/dbraw/zinc/88/10/90/306881090.db2.gz QLFXLIUGPHQTLG-UHFFFAOYSA-N -2 0 307.281 1.230 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1C ZINC000537639545 303377302 /nfs/dbraw/zinc/37/73/02/303377302.db2.gz VPKGFTAZOCHMFB-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@]1(C(=O)[O-])CCC(C)(C)C1 ZINC000560421958 303811382 /nfs/dbraw/zinc/81/13/82/303811382.db2.gz UUXSCDQBCWVWSA-OIBJUYFYSA-N -2 0 317.329 1.890 20 0 DDADRL O=C([O-])[C@H](CN=c1[n-]c(C2CCOCC2)no1)c1ccccc1 ZINC000575409550 308276649 /nfs/dbraw/zinc/27/66/49/308276649.db2.gz PSFKLQIBQMTMRP-CYBMUJFWSA-N -2 0 317.345 1.666 20 0 DDADRL O=C([O-])[C@@H](CN=c1[n-]c(C2CCOCC2)no1)c1ccccc1 ZINC000575409551 308276730 /nfs/dbraw/zinc/27/67/30/308276730.db2.gz PSFKLQIBQMTMRP-ZDUSSCGKSA-N -2 0 317.345 1.666 20 0 DDADRL CC(C)[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)[O-] ZINC000663024074 484608009 /nfs/dbraw/zinc/60/80/09/484608009.db2.gz QVCRZHYUEUSOQU-GFCCVEGCSA-N -2 0 321.308 1.556 20 0 DDADRL O=C([O-])[C@@H]1CN(C(=O)C2(C(=O)[O-])CC=CC2)Cc2ccccc21 ZINC000663133786 484694412 /nfs/dbraw/zinc/69/44/12/484694412.db2.gz UMPFBXCUGHURAX-CYBMUJFWSA-N -2 0 315.325 1.618 20 0 DDADRL CCC(CC)(CNC(=O)N1CC[C@](C)(C(=O)[O-])C1)C(=O)[O-] ZINC000424435452 528671876 /nfs/dbraw/zinc/67/18/76/528671876.db2.gz VJYMORACPLHLNE-ZDUSSCGKSA-N -2 0 300.355 1.384 20 0 DDADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1CC(=O)[O-] ZINC000053200433 597313419 /nfs/dbraw/zinc/31/34/19/597313419.db2.gz SMAFIBKBWMYMNE-UHFFFAOYSA-N -2 0 310.331 1.719 20 0 DDADRL O=C([O-])CSCCC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000739850069 599757418 /nfs/dbraw/zinc/75/74/18/599757418.db2.gz SLSNXJVEEMZESK-UHFFFAOYSA-N -2 0 323.330 1.176 20 0 DDADRL CC=CCS(=O)(=O)C(C)=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736833892 599885170 /nfs/dbraw/zinc/88/51/70/599885170.db2.gz FXYOKHRVDJGSDW-WWQCOOJYSA-N -2 0 313.375 1.892 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n(C)n1 ZINC000035295982 600243360 /nfs/dbraw/zinc/24/33/60/600243360.db2.gz PUWIOUBWYHMKKG-UHFFFAOYSA-N -2 0 309.347 1.156 20 0 DDADRL O=C([O-])c1sc2ccccc2c1CNC(=O)c1cc(=O)[nH][n-]1 ZINC000740303287 600362510 /nfs/dbraw/zinc/36/25/10/600362510.db2.gz GWDGBJRBDIGNIK-UHFFFAOYSA-N -2 0 317.326 1.092 20 0 DDADRL CC(C)CCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])s1 ZINC000736435221 600422261 /nfs/dbraw/zinc/42/22/61/600422261.db2.gz CXFWFFJVGDFHRR-UHFFFAOYSA-N -2 0 305.377 1.552 20 0 DDADRL C[C@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1CCCCC1 ZINC000736547506 600462060 /nfs/dbraw/zinc/46/20/60/600462060.db2.gz CREBAXJJDTWJMM-LLVKDONJSA-N -2 0 319.423 1.904 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-] ZINC000736964013 600520359 /nfs/dbraw/zinc/52/03/59/600520359.db2.gz BUBTYMHOIZFPPZ-SNVBAGLBSA-N -2 0 308.400 1.259 20 0 DDADRL CC(C)c1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000314282850 600673240 /nfs/dbraw/zinc/67/32/40/600673240.db2.gz KGWXISBZCQFLEU-UHFFFAOYSA-N -2 0 323.374 1.892 20 0 DDADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000391970675 600875015 /nfs/dbraw/zinc/87/50/15/600875015.db2.gz XTRQFQOLXVCPSK-WDEREUQCSA-N -2 0 315.333 1.696 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000833228712 600947526 /nfs/dbraw/zinc/94/75/26/600947526.db2.gz WBXYCQFVXXPXAE-NWDGAFQWSA-N -2 0 317.407 1.514 20 0 DDADRL Cn1cnc2cc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)ccc21 ZINC000833059283 601340185 /nfs/dbraw/zinc/34/01/85/601340185.db2.gz ZJJWKTNLRQDPJC-UHFFFAOYSA-N -2 0 320.330 1.400 20 0 DDADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1C ZINC000316653318 601360799 /nfs/dbraw/zinc/36/07/99/601360799.db2.gz AJWLXTKIDKFBMP-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL CC(C)c1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)s1 ZINC000827168556 601503427 /nfs/dbraw/zinc/50/34/27/601503427.db2.gz MJTGORMMGTZIAY-UHFFFAOYSA-N -2 0 317.348 1.754 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2cccc(NC(=O)[O-])c2)c1 ZINC000830429702 601782470 /nfs/dbraw/zinc/78/24/70/601782470.db2.gz MBEJFEQLHSXLPN-UHFFFAOYSA-N -2 0 310.335 1.794 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(C)n1 ZINC000832413195 601851963 /nfs/dbraw/zinc/85/19/63/601851963.db2.gz IWLLQRJKQLBDNY-UHFFFAOYSA-N -2 0 311.319 1.226 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(F)nc1 ZINC000833345441 602158009 /nfs/dbraw/zinc/15/80/09/602158009.db2.gz SUTWMHUSCIOLKV-UHFFFAOYSA-N -2 0 303.296 1.176 20 0 DDADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000827303268 602190823 /nfs/dbraw/zinc/19/08/23/602190823.db2.gz CMTBXIVBOUNXOE-SECBINFHSA-N -2 0 322.342 1.151 20 0 DDADRL CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000736378515 602472834 /nfs/dbraw/zinc/47/28/34/602472834.db2.gz WOWGGIOWXQYATL-SNVBAGLBSA-N -2 0 320.305 1.261 20 0 DDADRL CN(CC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)C(=O)[O-] ZINC000739625294 602621497 /nfs/dbraw/zinc/62/14/97/602621497.db2.gz KSALVLWMGMLUBY-UHFFFAOYSA-N -2 0 322.342 1.255 20 0 DDADRL CCC[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000739320584 602671207 /nfs/dbraw/zinc/67/12/07/602671207.db2.gz PSIPPHVSZJXOSB-LLVKDONJSA-N -2 0 320.411 1.449 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000736964385 602728575 /nfs/dbraw/zinc/72/85/75/602728575.db2.gz DLBGFYWZEMEBCR-MNOVXSKESA-N -2 0 322.427 1.551 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](CCC)NC(=O)[O-] ZINC000739302570 602728642 /nfs/dbraw/zinc/72/86/42/602728642.db2.gz RNMLPAZNDQNTLQ-NXEZZACHSA-N -2 0 308.400 1.305 20 0 DDADRL O=C([O-])NC1CCN(C(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000832375350 603748187 /nfs/dbraw/zinc/74/81/87/603748187.db2.gz GKONICMFDBZDOG-UHFFFAOYSA-N -2 0 300.261 1.543 20 0 DDADRL CCC[C@@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1nnn[n-]1 ZINC000826763920 604002219 /nfs/dbraw/zinc/00/22/19/604002219.db2.gz GHXCPIXTCAIPOU-SECBINFHSA-N -2 0 322.300 1.700 20 0 DDADRL CCC[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1)c1nnn[n-]1 ZINC000826763353 604003031 /nfs/dbraw/zinc/00/30/31/604003031.db2.gz BJDPMMSYOUOTND-JTQLQIEISA-N -2 0 304.310 1.561 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cn(C)c(Cl)n2)c(C(=O)[O-])[nH]1 ZINC000832899939 604398332 /nfs/dbraw/zinc/39/83/32/604398332.db2.gz VNAMIKIPUXBDBE-UHFFFAOYSA-N -2 0 318.742 1.209 20 0 DDADRL CC(C)(C)CS(=O)(=O)[N-]C(=O)C1CCC(C(=O)[O-])CC1 ZINC000833430238 605116909 /nfs/dbraw/zinc/11/69/09/605116909.db2.gz LDTRIJCMCRUSAI-UHFFFAOYSA-N -2 0 305.396 1.370 20 0 DDADRL O=C([O-])NC1CCN(CC(=O)Nc2c(O)cccc2F)CC1 ZINC000832386530 605158273 /nfs/dbraw/zinc/15/82/73/605158273.db2.gz DXZLQQSYBLEMRS-UHFFFAOYSA-N -2 0 311.313 1.202 20 0 DDADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])no1 ZINC000833548740 605904707 /nfs/dbraw/zinc/90/47/07/605904707.db2.gz LRGAUPDOCWZUGS-QMMMGPOBSA-N -2 0 324.314 1.194 20 0 DDADRL O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000834014383 606029532 /nfs/dbraw/zinc/02/95/32/606029532.db2.gz IVRUACMLZCHMCT-OLZOCXBDSA-N -2 0 320.345 1.189 20 0 DDADRL O=C([O-])CCN(Cc1ccccc1)C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000834059126 606029690 /nfs/dbraw/zinc/02/96/90/606029690.db2.gz GNMMQRVUKUTETJ-ZDUSSCGKSA-N -2 0 320.345 1.490 20 0 DDADRL O=C([O-])N[C@@H](CC(=O)N1CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000834121633 606034536 /nfs/dbraw/zinc/03/45/36/606034536.db2.gz HQKDMPKNDPEUAS-QWHCGFSZSA-N -2 0 320.345 1.851 20 0 DDADRL C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)c1ccccc1 ZINC000833788824 606053427 /nfs/dbraw/zinc/05/34/27/606053427.db2.gz DHKLLNKXEQEBPD-CYZMBNFOSA-N -2 0 320.345 1.565 20 0 DDADRL O=C([O-])[C@H](CNC(=O)[C@@H]1CCCN1C(=O)[O-])Cc1ccccc1 ZINC000834057514 606058324 /nfs/dbraw/zinc/05/83/24/606058324.db2.gz FISDFVSXMQAVCB-STQMWFEESA-N -2 0 320.345 1.189 20 0 DDADRL O=C([O-])CCc1ccc(NC(=O)CC2CN(C(=O)[O-])C2)cc1 ZINC000834059301 606063347 /nfs/dbraw/zinc/06/33/47/606063347.db2.gz JFBYSTOWXOOZQC-UHFFFAOYSA-N -2 0 306.318 1.642 20 0 DDADRL O=C([O-])c1ccc(NC(=O)[C@@H]2CCCN(C(=O)[O-])C2)cc1F ZINC000834283525 606065828 /nfs/dbraw/zinc/06/58/28/606065828.db2.gz QFEZQBJYCQAWPW-MRVPVSSYSA-N -2 0 310.281 1.852 20 0 DDADRL O=C([O-])c1ccc(F)c(NC(=O)C2CCN(C(=O)[O-])CC2)c1 ZINC000834283713 606067657 /nfs/dbraw/zinc/06/76/57/606067657.db2.gz UQIJKTWECVQRQI-UHFFFAOYSA-N -2 0 310.281 1.852 20 0 DDADRL CO[C@H](C)c1nc(=NC(=O)c2cc3c(cc2[O-])OCO3)s[n-]1 ZINC000436730441 699167328 /nfs/dbraw/zinc/16/73/28/699167328.db2.gz LHLCXAJAXWRSOH-ZCFIWIBFSA-N -2 0 323.330 1.354 20 0 DDADRL C[C@@]1(C(=O)[O-])CCN(C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000840993151 702304483 /nfs/dbraw/zinc/30/44/83/702304483.db2.gz LJOSZBDRMYONKY-OAHLLOKOSA-N -2 0 306.318 1.391 20 0 DDADRL COc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)C(F)F)cc1 ZINC000817419412 702376727 /nfs/dbraw/zinc/37/67/27/702376727.db2.gz GVKDRNQCSKQLAE-VIFPVBQESA-N -2 0 309.290 1.353 20 0 DDADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000863952395 706044931 /nfs/dbraw/zinc/04/49/31/706044931.db2.gz VDSSFWAISVXWSS-UHFFFAOYSA-N -2 0 313.375 1.691 20 0 DDADRL CSc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])cc1 ZINC000863959693 706046765 /nfs/dbraw/zinc/04/67/65/706046765.db2.gz NYZLPQWEUNBCBN-UHFFFAOYSA-N -2 0 317.388 1.324 20 0 DDADRL O=C([O-])[C@@H]1CN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)C[C@H]1C1CC1 ZINC000900468843 709610172 /nfs/dbraw/zinc/61/01/72/709610172.db2.gz IYJKMRWJRHXTQJ-HWWQOWPSSA-N -2 0 307.346 1.367 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)/C=C\c2cccc(F)c2)C1 ZINC000910184201 709801632 /nfs/dbraw/zinc/80/16/32/709801632.db2.gz FCKPCDHRBPHOQC-RKVAAYGKSA-N -2 0 321.304 1.615 20 0 DDADRL CCc1ccccc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910191462 709805217 /nfs/dbraw/zinc/80/52/17/709805217.db2.gz JQOPMIOTJOTXJB-WCQYABFASA-N -2 0 305.330 1.639 20 0 DDADRL O=C([O-])C1(CC(=O)Nc2ccc(O)c(F)c2F)CCOCC1 ZINC000911759805 710969700 /nfs/dbraw/zinc/96/97/00/710969700.db2.gz SWNQLXUWLBWVCL-UHFFFAOYSA-N -2 0 315.272 1.880 20 0 DDADRL O=C(NCCCC[P@](=O)([O-])O)C1=NOC2(C1)CCCCC2 ZINC001184697518 744082470 /nfs/dbraw/zinc/08/24/70/744082470.db2.gz VRXMAIRQTFEVAN-UHFFFAOYSA-N -2 0 318.310 1.540 20 0 DDADRL O=C(N[C@@H]1SC(=O)[N-]C1=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188589000 744732575 /nfs/dbraw/zinc/73/25/75/744732575.db2.gz KNWVPHAOEYDBSU-SECBINFHSA-N -2 0 320.248 1.450 20 0 DDADRL CCN(CC)C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189913900 745029479 /nfs/dbraw/zinc/02/94/79/745029479.db2.gz GVPUUUVRYFCFTI-UHFFFAOYSA-N -2 0 301.320 1.114 20 0 DDADRL COC[C@@H](NC(=O)c1ccccc1OP(=O)([O-])[O-])C1CC1 ZINC001189899950 745048176 /nfs/dbraw/zinc/04/81/76/745048176.db2.gz YTPWWBXUDOPZHT-LLVKDONJSA-N -2 0 315.262 1.313 20 0 DDADRL CC(C)(C)[C@H](CO)NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189900086 745048396 /nfs/dbraw/zinc/04/83/96/745048396.db2.gz PHWJCSRFPQJHAS-NSHDSACASA-N -2 0 317.278 1.295 20 0 DDADRL O=c1[nH]cnc([O-])c1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190359913 745192512 /nfs/dbraw/zinc/19/25/12/745192512.db2.gz MBVCSOPEXIXLTG-UHFFFAOYSA-N -2 0 321.236 1.106 20 0 DDADRL Cc1ccc(Cl)c(NC(=O)NCCOP(=O)([O-])[O-])c1 ZINC001191715638 745581714 /nfs/dbraw/zinc/58/17/14/745581714.db2.gz UKVSVGYKRQQBBF-UHFFFAOYSA-N -2 0 308.658 1.879 20 0 DDADRL CC(C)(C)c1ccc(C(=O)NCCOP(=O)([O-])[O-])c(O)c1 ZINC001192336472 745757686 /nfs/dbraw/zinc/75/76/86/745757686.db2.gz XPOZKRBTKJCQHU-UHFFFAOYSA-N -3 0 317.278 1.529 20 0 DDADRL Cc1coc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC001195190234 746541189 /nfs/dbraw/zinc/54/11/89/746541189.db2.gz YJDUAMVASLXZFA-UHFFFAOYSA-N -2 0 318.257 1.760 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnc2nccn2c1 ZINC001198750879 747599222 /nfs/dbraw/zinc/59/92/22/747599222.db2.gz UTOKBWBZBGNELW-UHFFFAOYSA-N -2 0 318.314 1.228 20 0 DDADRL CCCc1cc(NCCOP(=O)([O-])[O-])nc(CCC)n1 ZINC001168589756 751205140 /nfs/dbraw/zinc/20/51/40/751205140.db2.gz OOHVYBAKACTQPG-UHFFFAOYSA-N -2 0 303.299 1.903 20 0 DDADRL O=P([O-])([O-])OCCNC(F)(F)Oc1ccc(Cl)nc1 ZINC001157787375 766639031 /nfs/dbraw/zinc/63/90/31/766639031.db2.gz JBWIMJRPBQWCQP-UHFFFAOYSA-N -2 0 318.600 1.363 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1ccc(-n2cccc2)cc1 ZINC001148696521 773568135 /nfs/dbraw/zinc/56/81/35/773568135.db2.gz RJRITFIKHPKARB-UHFFFAOYSA-N -2 0 310.246 1.316 20 0 DDADRL O=C([O-])CCC(=O)CNC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148813817 773608103 /nfs/dbraw/zinc/60/81/03/773608103.db2.gz IMXHTKBJNCNIML-UHFFFAOYSA-N -2 0 320.128 1.863 20 0 DDADRL COc1nc(C)ncc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238573 778088570 /nfs/dbraw/zinc/08/85/70/778088570.db2.gz JIKJXDUPPDAPOG-UHFFFAOYSA-N -2 0 303.274 1.934 20 0 DDADRL Nc1ccc(F)cc1S(=O)(=O)[N-]c1csc(C(=O)[O-])c1 ZINC001176440055 778143853 /nfs/dbraw/zinc/14/38/53/778143853.db2.gz FZAUIJAEVKUIMM-UHFFFAOYSA-N -2 0 316.335 1.968 20 0 DDADRL CCOC(=O)c1cc(C)cc(NCCOP(=O)([O-])[O-])n1 ZINC001157787858 864139612 /nfs/dbraw/zinc/13/96/12/864139612.db2.gz SELCHPJNRJFMMW-UHFFFAOYSA-N -2 0 304.239 1.088 20 0 DDADRL CCOC(=O)c1cnc(NCCOP(=O)([O-])[O-])c(Cl)c1 ZINC001157790667 864143654 /nfs/dbraw/zinc/14/36/54/864143654.db2.gz COUJYSPOECCSOP-UHFFFAOYSA-N -2 0 324.657 1.433 20 0 DDADRL CCOc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1C(=O)[O-] ZINC000314555798 878706519 /nfs/dbraw/zinc/70/65/19/878706519.db2.gz ZSHJZLRVMKEIBE-UHFFFAOYSA-N -2 0 322.342 1.979 20 0 DDADRL Cc1cc(C)c(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(C)c1 ZINC001222900189 880740063 /nfs/dbraw/zinc/74/00/63/880740063.db2.gz LOEUFSNDQPLTIC-FZMZJTMJSA-N -2 0 324.329 1.191 20 0 DDADRL Cc1cc(C)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(C)c1 ZINC001228407437 883483221 /nfs/dbraw/zinc/48/32/21/883483221.db2.gz LPIRSCYPKFMIMQ-PWSUYJOCSA-N -2 0 310.302 1.054 20 0 DDADRL O=C([N-]N1CCOC1=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001362665432 884362737 /nfs/dbraw/zinc/36/27/37/884362737.db2.gz HHSPFSDGAYVDJQ-UHFFFAOYSA-N -2 0 322.708 1.328 20 0 DDADRL CSCC(C)(C)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC001363670545 886936840 /nfs/dbraw/zinc/93/68/40/886936840.db2.gz CISKBMNSJBYHKA-UHFFFAOYSA-N -2 0 322.390 1.616 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1-c1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001241002694 891114430 /nfs/dbraw/zinc/11/44/30/891114430.db2.gz KUFDCTHNXLCEAG-UHFFFAOYSA-N -2 0 317.322 1.792 20 0 DDADRL COC(=O)c1cc(C)nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242159525 891353677 /nfs/dbraw/zinc/35/36/77/891353677.db2.gz MCQGKVLJNFUXRQ-UHFFFAOYSA-N -2 0 316.269 1.635 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(=O)n(CC3CC3)n2)c1 ZINC001242163821 891358546 /nfs/dbraw/zinc/35/85/46/891358546.db2.gz NDLTVWBKINRENA-UHFFFAOYSA-N -2 0 314.297 1.717 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)N[C@@H]2[CH]CC=C2)c(F)cc1Cl ZINC001259225884 898539983 /nfs/dbraw/zinc/53/99/83/898539983.db2.gz MCKRRNMYHOFDNV-ZETCQYMHSA-N -2 0 318.733 1.988 20 0 DDADRL COc1nccc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260220996 899093680 /nfs/dbraw/zinc/09/36/80/899093680.db2.gz BKNZAPUFJPZBKE-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC001260222785 899097337 /nfs/dbraw/zinc/09/73/37/899097337.db2.gz DRCZBCHCVSYLAD-UHFFFAOYSA-N -2 0 320.326 1.783 20 0 DDADRL C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C1CCOCC1 ZINC000235513330 354333169 /nfs/dbraw/zinc/33/31/69/354333169.db2.gz ADEZRDSJNBSWST-QMMMGPOBSA-N -2 0 319.404 1.540 20 0 DDADRL COC(=O)Cc1c(C)[n-]n(-c2ccc(C(=O)[O-])cc2F)c1=O ZINC000601947096 358748440 /nfs/dbraw/zinc/74/84/40/358748440.db2.gz IYQOGQSFXAOHKN-VIFPVBQESA-N -2 0 308.265 1.426 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c[nH]1 ZINC000266395620 205316157 /nfs/dbraw/zinc/31/61/57/205316157.db2.gz CYGLCLFYKRNIRX-UHFFFAOYSA-N -2 0 323.374 1.881 20 0 DDADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1 ZINC000021055606 182264160 /nfs/dbraw/zinc/26/41/60/182264160.db2.gz FFAKCSFQQCVHHV-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL Cn1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000352454693 285061435 /nfs/dbraw/zinc/06/14/35/285061435.db2.gz CXZOMZOCKKOYLN-UHFFFAOYSA-N -2 0 324.314 1.222 20 0 DDADRL O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccc(F)c(F)c1[O-] ZINC000414380735 224330292 /nfs/dbraw/zinc/33/02/92/224330292.db2.gz HDPKAZLGWCTMDU-QMMMGPOBSA-N -2 0 307.318 1.981 20 0 DDADRL Cc1nc(S(=O)(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c[nH]1 ZINC000274953776 408573237 /nfs/dbraw/zinc/57/32/37/408573237.db2.gz GTXUREXHGYRERM-TVQRCGJNSA-N -2 0 323.374 1.458 20 0 DDADRL Cn1ncc(Cl)c1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000227864610 163339624 /nfs/dbraw/zinc/33/96/24/163339624.db2.gz BUVUNPSBDAXAAG-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000354614031 409971667 /nfs/dbraw/zinc/97/16/67/409971667.db2.gz XXXZGENKXRTYJE-UHFFFAOYSA-N -2 0 302.333 1.852 20 0 DDADRL CCCCc1n[n-]c(=NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)s1 ZINC000647690519 422999459 /nfs/dbraw/zinc/99/94/59/422999459.db2.gz PHQMCFFORFSUGN-DTWKUNHWSA-N -2 0 312.395 1.677 20 0 DDADRL CCCc1ccc([N-]S(=O)(=O)c2cnnn2C)c(C(=O)[O-])c1 ZINC000650392077 423146713 /nfs/dbraw/zinc/14/67/13/423146713.db2.gz OBEWFSGAXWDQCQ-UHFFFAOYSA-N -2 0 324.362 1.267 20 0 DDADRL CSc1nc(=NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])s[n-]1 ZINC000424383101 420316352 /nfs/dbraw/zinc/31/63/52/420316352.db2.gz OYWFXYSVVSQTPY-SSDOTTSWSA-N -2 0 318.424 1.550 20 0 DDADRL CC(C)(C)CN(CC(=O)[O-])S(=O)(=O)c1cc([O-])cc(F)c1 ZINC000630447180 422108633 /nfs/dbraw/zinc/10/86/33/422108633.db2.gz PVIQGIADIJESSD-UHFFFAOYSA-N -2 0 319.354 1.653 20 0 DDADRL C[C@@](CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)(C(=O)[O-])c1ccccc1 ZINC000653324146 423440433 /nfs/dbraw/zinc/44/04/33/423440433.db2.gz JGWPCKYMYQUWFY-PEBVRCNWSA-N -2 0 319.357 1.646 20 0 DDADRL CC(C)[C@@H](CNC(=O)NCc1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC000655880723 424691293 /nfs/dbraw/zinc/69/12/93/424691293.db2.gz YBCRYDFXAZKZRI-GFCCVEGCSA-N -2 0 308.334 1.541 20 0 DDADRL O=C([O-])CCCCCNC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665313670 424780167 /nfs/dbraw/zinc/78/01/67/424780167.db2.gz QJPBBACMDPGUDR-NSHDSACASA-N -2 0 300.355 1.432 20 0 DDADRL COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)nc2)ccc1O ZINC000317090261 271020085 /nfs/dbraw/zinc/02/00/85/271020085.db2.gz AXZYFOGBUNMJNF-UHFFFAOYSA-N -2 0 322.342 1.683 20 0 DDADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccnc2C)ccc1O ZINC000317047559 271020184 /nfs/dbraw/zinc/02/01/84/271020184.db2.gz WSKBITHQFYXOAL-UHFFFAOYSA-N -2 0 322.342 1.683 20 0 DDADRL COc1ccc([O-])c(C(=O)N=c2[n-]c(C)nn2-c2ccccc2)c1 ZINC000514817251 307402542 /nfs/dbraw/zinc/40/25/42/307402542.db2.gz YRJQZJQYBOVZHO-UHFFFAOYSA-N -2 0 324.340 1.964 20 0 DDADRL O=C([O-])c1cn(CCN=c2nc(C3CCCC3)[n-]s2)nn1 ZINC000520819433 307463073 /nfs/dbraw/zinc/46/30/73/307463073.db2.gz ACVXIOWGZJXKSK-UHFFFAOYSA-N -2 0 308.367 1.019 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c[nH]1 ZINC000548206669 307759888 /nfs/dbraw/zinc/75/98/88/307759888.db2.gz GFVWNJWEYIQBOB-UHFFFAOYSA-N -2 0 309.347 1.834 20 0 DDADRL Cc1csc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000569245492 308138749 /nfs/dbraw/zinc/13/87/49/308138749.db2.gz KSUVXPHZMNNYJU-VHSXEESVSA-N -2 0 303.405 1.978 20 0 DDADRL CC(C)[C@H](CNC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)C(=O)[O-] ZINC000655896805 483989341 /nfs/dbraw/zinc/98/93/41/483989341.db2.gz OHSIZFLDXFUNQP-DCAQKATOSA-N -2 0 300.355 1.095 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000097055154 484019710 /nfs/dbraw/zinc/01/97/10/484019710.db2.gz XJZFDCGKZFHUOL-RITPCOANSA-N -2 0 303.236 1.793 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)cn1 ZINC000507562755 484259291 /nfs/dbraw/zinc/25/92/91/484259291.db2.gz GAKZNMXKXGXYAU-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000663118301 484681911 /nfs/dbraw/zinc/68/19/11/484681911.db2.gz CLMSFNUMKCSVIX-SJKOYZFVSA-N -2 0 321.373 1.892 20 0 DDADRL C[C@@](CNC(=O)[C@H](C(=O)[O-])C1CC1)(C(=O)[O-])c1ccccc1 ZINC000663121443 484685102 /nfs/dbraw/zinc/68/51/02/484685102.db2.gz YTWMNYCUVIBXOM-WBMJQRKESA-N -2 0 305.330 1.256 20 0 DDADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000663132032 484693008 /nfs/dbraw/zinc/69/30/08/484693008.db2.gz IGVAMRIFZRXCCH-STQMWFEESA-N -2 0 319.357 1.944 20 0 DDADRL CCC(C)(C)N(C)C(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000684896212 486454430 /nfs/dbraw/zinc/45/44/30/486454430.db2.gz RGZLULUQFFGVMF-AWEZNQCLSA-N -2 0 300.355 1.478 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)o1 ZINC000443407486 534212897 /nfs/dbraw/zinc/21/28/97/534212897.db2.gz DOMGYJROSVCOPO-UHFFFAOYSA-N -2 0 321.318 1.070 20 0 DDADRL CCC(CC)(CNC(=O)N=c1ncn(C(C)(C)C)[n-]1)C(=O)[O-] ZINC000424388987 528672978 /nfs/dbraw/zinc/67/29/78/528672978.db2.gz ZXCJBAPRMVNTGB-UHFFFAOYSA-N -2 0 311.386 1.468 20 0 DDADRL O=C([O-])[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000739545770 599728156 /nfs/dbraw/zinc/72/81/56/599728156.db2.gz BWJUCCNRJIGMEO-STQMWFEESA-N -2 0 323.370 1.091 20 0 DDADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)n1 ZINC000739919635 599739447 /nfs/dbraw/zinc/73/94/47/599739447.db2.gz CXVQDGNGRFLPRR-UHFFFAOYSA-N -2 0 317.273 1.047 20 0 DDADRL CC(C)[C@@H](NC(=O)[O-])C(=O)OCC(=O)[N-]OCc1ccccc1 ZINC000736378033 600211320 /nfs/dbraw/zinc/21/13/20/600211320.db2.gz HPBQSQWOZXNFFZ-CYBMUJFWSA-N -2 0 324.333 1.070 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(F)c2F)c1C(=O)[O-] ZINC000738827687 600233723 /nfs/dbraw/zinc/23/37/23/600233723.db2.gz MYLLXENDUOQWNE-UHFFFAOYSA-N -2 0 317.273 1.495 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n(C)n1 ZINC000737251833 600246748 /nfs/dbraw/zinc/24/67/48/600246748.db2.gz HJVDLCRTUCYSDQ-UHFFFAOYSA-N -2 0 315.376 1.543 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cc2ccccc2o1 ZINC000739692483 600460724 /nfs/dbraw/zinc/46/07/24/600460724.db2.gz QIXFRSGOUHNETM-UHFFFAOYSA-N -2 0 311.315 1.357 20 0 DDADRL CC(C)(C)CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])s1 ZINC000736260420 600549178 /nfs/dbraw/zinc/54/91/78/600549178.db2.gz DIJSOYQROQQMKZ-UHFFFAOYSA-N -2 0 305.377 1.552 20 0 DDADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000316219034 600576049 /nfs/dbraw/zinc/57/60/49/600576049.db2.gz OCHOPCZYPNYKTJ-UHFFFAOYSA-N -2 0 320.326 1.516 20 0 DDADRL CCCn1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cn1 ZINC000722372105 600686085 /nfs/dbraw/zinc/68/60/85/600686085.db2.gz JZBAFKBSKQMHEK-UHFFFAOYSA-N -2 0 315.376 1.854 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n(C)n1 ZINC000021518853 601357934 /nfs/dbraw/zinc/35/79/34/601357934.db2.gz XMHCDJURBFLPEL-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL CCN(CCC(=O)[O-])C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000829701730 601382835 /nfs/dbraw/zinc/38/28/35/601382835.db2.gz LCOHCVUNOOMVJX-UHFFFAOYSA-N -2 0 321.358 1.561 20 0 DDADRL O=C([O-])C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C1CC1 ZINC000137198633 601613441 /nfs/dbraw/zinc/61/34/41/601613441.db2.gz KYJRLFWACRGVEO-JTQLQIEISA-N -2 0 323.292 1.636 20 0 DDADRL Cc1noc(C)c1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833022761 601838970 /nfs/dbraw/zinc/83/89/70/601838970.db2.gz FWLPHVVCZKSXKE-UHFFFAOYSA-N -2 0 303.321 1.247 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000738620892 601950505 /nfs/dbraw/zinc/95/05/05/601950505.db2.gz AHOWJHHSFJWZSI-OLZOCXBDSA-N -2 0 303.314 1.919 20 0 DDADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000827304080 602178093 /nfs/dbraw/zinc/17/80/93/602178093.db2.gz OPHGSPYJZWKWTG-ZETCQYMHSA-N -2 0 305.739 1.256 20 0 DDADRL CCC[C@H](NC(=O)[O-])C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000739322446 602472958 /nfs/dbraw/zinc/47/29/58/602472958.db2.gz OJUPLJXIMKVMRP-JTQLQIEISA-N -2 0 320.305 1.405 20 0 DDADRL CC(C)C[C@@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)C(=O)[O-] ZINC000833485077 604882212 /nfs/dbraw/zinc/88/22/12/604882212.db2.gz YFXWQKDYKBUEEZ-MRVPVSSYSA-N -2 0 321.376 1.224 20 0 DDADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833730681 605183762 /nfs/dbraw/zinc/18/37/62/605183762.db2.gz AODPIYNGQJVNOV-UHFFFAOYSA-N -2 0 312.303 1.491 20 0 DDADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cn1 ZINC000833452077 605184386 /nfs/dbraw/zinc/18/43/86/605184386.db2.gz LJLKKMKLNKEWHI-UHFFFAOYSA-N -2 0 313.335 1.730 20 0 DDADRL CCC[C@H](C)CC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826727204 605266955 /nfs/dbraw/zinc/26/69/55/605266955.db2.gz CTNXBDNFBPUUTQ-VHSXEESVSA-N -2 0 306.384 1.011 20 0 DDADRL C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000825881499 605274538 /nfs/dbraw/zinc/27/45/38/605274538.db2.gz WTXYAJXCYGOEOS-GMTAPVOTSA-N -2 0 318.395 1.011 20 0 DDADRL CC(C)CCS(=O)(=O)[N-]C(=O)CC[C@@H]1CCN(C(=O)[O-])C1 ZINC000833794475 605502191 /nfs/dbraw/zinc/50/21/91/605502191.db2.gz NIQPMPSPIHOITK-LLVKDONJSA-N -2 0 320.411 1.259 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000834059914 606030984 /nfs/dbraw/zinc/03/09/84/606030984.db2.gz VHGSKEFIXRANBF-QCNOEVLYSA-N -2 0 310.350 1.231 20 0 DDADRL O=C([O-])CCCNC(=O)[C@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000834060505 606032808 /nfs/dbraw/zinc/03/28/08/606032808.db2.gz PYYSFYINRARRGG-WDEREUQCSA-N -2 0 300.355 1.574 20 0 DDADRL O=C([O-])N[C@H](CC(=O)N1CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000834121629 606034376 /nfs/dbraw/zinc/03/43/76/606034376.db2.gz HQKDMPKNDPEUAS-CHWSQXEVSA-N -2 0 320.345 1.851 20 0 DDADRL O=C([O-])[C@H]1CC12CCN(C(=O)C[C@H]1CCCN1C(=O)[O-])CC2 ZINC000834059669 606034621 /nfs/dbraw/zinc/03/46/21/606034621.db2.gz TWEXAODBFWQRBP-GHMZBOCLSA-N -2 0 310.350 1.232 20 0 DDADRL O=C([O-])[C@H](NC(=O)[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000834017398 606048425 /nfs/dbraw/zinc/04/84/25/606048425.db2.gz ZZVQHFJCSIQOOV-NWDGAFQWSA-N -2 0 306.318 1.319 20 0 DDADRL C[C@H](C(=O)[O-])[C@H](NC(=O)[C@H]1CCN(C(=O)[O-])C1)c1ccccc1 ZINC000833788825 606053071 /nfs/dbraw/zinc/05/30/71/606053071.db2.gz DHKLLNKXEQEBPD-DRZSPHRISA-N -2 0 320.345 1.565 20 0 DDADRL Cc1oc(CN(C)C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)cc1C(=O)[O-] ZINC000833934326 606055248 /nfs/dbraw/zinc/05/52/48/606055248.db2.gz GJUKGJDKMIMXMG-ZJUUUORDSA-N -2 0 324.333 1.681 20 0 DDADRL O=C([O-])[C@H](CNC(=O)[C@H]1CSCN1C(=O)[O-])c1ccccc1 ZINC000834057183 606064894 /nfs/dbraw/zinc/06/48/94/606064894.db2.gz BCWMTVXNQOQELS-GHMZBOCLSA-N -2 0 324.358 1.024 20 0 DDADRL O=C([O-])N[C@H]1CC[C@@H](C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000834171133 606065439 /nfs/dbraw/zinc/06/54/39/606065439.db2.gz SZGUIOWOSOCPNC-SFYZADRCSA-N -2 0 310.281 1.899 20 0 DDADRL O=C([O-])Nc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)cc1 ZINC000834258407 606068883 /nfs/dbraw/zinc/06/88/83/606068883.db2.gz WOEJTSLWYHVRBK-ZDUSSCGKSA-N -2 0 310.331 1.467 20 0 DDADRL Cc1ccc(C(F)(F)C(=O)[N-]OC[C@H](C)NC(=O)[O-])cc1 ZINC000833904045 606069312 /nfs/dbraw/zinc/06/93/12/606069312.db2.gz HCMMNVXSAMBOCM-VIFPVBQESA-N -2 0 302.277 1.791 20 0 DDADRL O=C([O-])c1ccc2c(c1)CN(C(=O)CC1CN(C(=O)[O-])C1)CC2 ZINC000834283191 606113906 /nfs/dbraw/zinc/11/39/06/606113906.db2.gz KUIUOOOJMLFNGI-UHFFFAOYSA-N -2 0 318.329 1.269 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)c(C)c1 ZINC000776425665 698105912 /nfs/dbraw/zinc/10/59/12/698105912.db2.gz DPSOFPNNTNZRHC-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)c1F ZINC000821090134 704370646 /nfs/dbraw/zinc/37/06/46/704370646.db2.gz SNNAKYKJGBCSMB-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000863953032 706045162 /nfs/dbraw/zinc/04/51/62/706045162.db2.gz IRLHCGXVFNLFOH-SNVBAGLBSA-N -2 0 319.766 1.502 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])nc1 ZINC000863954932 706045714 /nfs/dbraw/zinc/04/57/14/706045714.db2.gz SIGOQNSFTHDKTK-SECBINFHSA-N -2 0 314.363 1.276 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c(C)o1 ZINC000863957774 706046616 /nfs/dbraw/zinc/04/66/16/706046616.db2.gz HUXKUSAUGOQMPB-ZJUUUORDSA-N -2 0 315.347 1.202 20 0 DDADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]1CC2CCC1CC2)C1CC1 ZINC000863963930 706047385 /nfs/dbraw/zinc/04/73/85/706047385.db2.gz KQIBHLPYEDTFEI-ALWXLRNYSA-N -2 0 315.391 1.122 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)NCC[C@H]1CCCS1 ZINC000871997367 707274681 /nfs/dbraw/zinc/27/46/81/707274681.db2.gz QEEQRQYTIQSAFV-SSDOTTSWSA-N -2 0 322.433 1.405 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)cn1 ZINC000833683750 707013171 /nfs/dbraw/zinc/01/31/71/707013171.db2.gz VIEHUNWMHZMFOY-UHFFFAOYSA-N -2 0 301.349 1.464 20 0 DDADRL O=C([O-])C[C@]1(C(=O)[O-])CCN(C(=O)N2CCc3ccccc32)C1 ZINC000899923328 709238436 /nfs/dbraw/zinc/23/84/36/709238436.db2.gz IDKGVVHGHSUPPQ-MRXNPFEDSA-N -2 0 318.329 1.421 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@H]2CCC=CCCC2)C1 ZINC000910183747 709800802 /nfs/dbraw/zinc/80/08/02/709800802.db2.gz OCVZLJXLONFEMV-YNEHKIRRSA-N -2 0 309.362 1.899 20 0 DDADRL C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000910183065 709800929 /nfs/dbraw/zinc/80/09/29/709800929.db2.gz KQRDGWZTSDWYEW-WCFLWFBJSA-N -2 0 305.330 1.567 20 0 DDADRL Cc1scc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1C ZINC000910184361 709801380 /nfs/dbraw/zinc/80/13/80/709801380.db2.gz PTDBPJHEYCZOGL-MWLCHTKSSA-N -2 0 311.359 1.755 20 0 DDADRL CCc1ccccc1CC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910185014 709801696 /nfs/dbraw/zinc/80/16/96/709801696.db2.gz UEUWYWSYTOKQOT-UONOGXRCSA-N -2 0 319.357 1.568 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccccc2Cl)C1 ZINC000910186401 709802431 /nfs/dbraw/zinc/80/24/31/709802431.db2.gz QEVJHIJVCGIEBI-LDYMZIIASA-N -2 0 311.721 1.730 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)C=C(C2CC2)C2CC2)C1 ZINC000910189370 709803956 /nfs/dbraw/zinc/80/39/56/709803956.db2.gz SGZFLHLUYBDTMQ-DGCLKSJQSA-N -2 0 307.346 1.509 20 0 DDADRL CO[C@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)[C@](C)(C(=O)[O-])C1 ZINC000910260846 709845203 /nfs/dbraw/zinc/84/52/03/709845203.db2.gz AODKUOLCBQSQTM-OTYXRUKQSA-N -2 0 313.737 1.750 20 0 DDADRL O=C([O-])C1=NN(c2ccccc2)[C@H](C(=O)[N-]OC2CCC2)C1 ZINC000911813851 711009412 /nfs/dbraw/zinc/00/94/12/711009412.db2.gz OPOVDAKSCQAJFU-ZDUSSCGKSA-N -2 0 303.318 1.306 20 0 DDADRL O=C([O-])[C@]1(C(=O)[N-]O[C@H]2CCCCO2)C[C@H]1c1ccccc1 ZINC000907852495 712635974 /nfs/dbraw/zinc/63/59/74/712635974.db2.gz YJMPJTHFUVFFJB-HEHGZKQESA-N -2 0 305.330 1.819 20 0 DDADRL CC(C)Cc1ccc(CC(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001181820120 743353213 /nfs/dbraw/zinc/35/32/13/743353213.db2.gz FDEMAAZMFSORMH-UHFFFAOYSA-N -2 0 315.306 1.653 20 0 DDADRL Cc1cnn(C)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184664761 744080304 /nfs/dbraw/zinc/08/03/04/744080304.db2.gz UHWAKSWKGGFNCB-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL O=C(NC[C@H]1CCCCO1)c1ccccc1OP(=O)([O-])[O-] ZINC001189900192 745048619 /nfs/dbraw/zinc/04/86/19/745048619.db2.gz UNGRXWRWXBBMAR-SNVBAGLBSA-N -2 0 315.262 1.457 20 0 DDADRL O=C(NC1C(=O)N=CN=C1[O-])c1cc(Cl)nc(Cl)c1[O-] ZINC001193083111 745970926 /nfs/dbraw/zinc/97/09/26/745970926.db2.gz OUMCPHUMXABPPQ-UHFFFAOYSA-N -2 0 317.088 1.548 20 0 DDADRL CCOc1ccc(C)c(C(=O)NCCOP(=O)([O-])[O-])c1 ZINC001197151542 747086700 /nfs/dbraw/zinc/08/67/00/747086700.db2.gz INUBXPNIVAFXDO-UHFFFAOYSA-N -2 0 303.251 1.233 20 0 DDADRL Cc1ccc(O)c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])n1 ZINC001198739755 747584983 /nfs/dbraw/zinc/58/49/83/747584983.db2.gz YTCDDIUGLJDBJL-UHFFFAOYSA-N -2 0 308.315 1.595 20 0 DDADRL O=P([O-])([O-])OCCNc1cnc(Oc2ccccc2)nc1 ZINC001168591017 751213453 /nfs/dbraw/zinc/21/34/53/751213453.db2.gz GLDFGTZAHDQNHV-UHFFFAOYSA-N -2 0 311.234 1.790 20 0 DDADRL O=P([O-])([O-])c1ccc(N[C@H]2CCc3ccccc3[C@H]2O)cc1 ZINC001169634048 762556558 /nfs/dbraw/zinc/55/65/58/762556558.db2.gz ZPFKXBKDTWJIEA-JKSUJKDBSA-N -2 0 319.297 1.950 20 0 DDADRL O=P([O-])([O-])OCCNc1ncc2cc(Cl)ccc2n1 ZINC001157791750 766657352 /nfs/dbraw/zinc/65/73/52/766657352.db2.gz SZJCEJCUPIWSGK-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL O=P([O-])([O-])c1ccc(NC2(CO)Cc3ccccc3C2)cc1 ZINC001171212472 772601559 /nfs/dbraw/zinc/60/15/59/772601559.db2.gz YOZKQPYHJDLRBU-UHFFFAOYSA-N -2 0 319.297 1.431 20 0 DDADRL O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000693443268 779522106 /nfs/dbraw/zinc/52/21/06/779522106.db2.gz SGNMDLLPAZXWMP-IAQIWYKVSA-N -2 0 309.265 1.245 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(Cl)nc2c(F)cccc12 ZINC001157787587 864140200 /nfs/dbraw/zinc/14/02/00/864140200.db2.gz NWUDDQCLEJJTGD-UHFFFAOYSA-N -2 0 321.632 1.944 20 0 DDADRL CCOC(=O)c1cc(NCCOP(=O)([O-])[O-])ncc1C ZINC001157790619 864143431 /nfs/dbraw/zinc/14/34/31/864143431.db2.gz BQOLNABHMUPASY-UHFFFAOYSA-N -2 0 304.239 1.088 20 0 DDADRL Cc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc1Cl ZINC001228073056 883319232 /nfs/dbraw/zinc/31/92/32/883319232.db2.gz XYJQLEHWYGKINV-KWQFWETISA-N -2 0 316.693 1.090 20 0 DDADRL Cc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(C)c1C ZINC001234388923 887928222 /nfs/dbraw/zinc/92/82/22/887928222.db2.gz KXCHHWNYRYUSRA-AAEUAGOBSA-N -2 0 310.302 1.054 20 0 DDADRL COc1ncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1OC ZINC001242161570 891356715 /nfs/dbraw/zinc/35/67/15/891356715.db2.gz BZDFGGHAWKUMCH-UHFFFAOYSA-N -2 0 304.258 1.557 20 0 DDADRL COCCCn1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cn1 ZINC001242488630 891441805 /nfs/dbraw/zinc/44/18/05/891441805.db2.gz VQQHIBKLFIHXDB-UHFFFAOYSA-N -2 0 304.302 1.983 20 0 DDADRL CCS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)C2CC2)c1 ZINC001259269653 898561039 /nfs/dbraw/zinc/56/10/39/898561039.db2.gz LOXGSYTXFXTEMO-UHFFFAOYSA-N -2 0 305.377 1.090 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000092890170 185347970 /nfs/dbraw/zinc/34/79/70/185347970.db2.gz SCDMBPVYZUAMBQ-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000358568331 299200595 /nfs/dbraw/zinc/20/05/95/299200595.db2.gz RPGYLYRLOIIRHF-UHFFFAOYSA-N -2 0 321.358 1.780 20 0 DDADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000091021677 353804921 /nfs/dbraw/zinc/80/49/21/353804921.db2.gz RPVQYYFUUHQBJA-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL Cc1c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cnn1C ZINC000313979908 354482923 /nfs/dbraw/zinc/48/29/23/354482923.db2.gz LYKUTYZODHHHSJ-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1 ZINC000091436474 193055437 /nfs/dbraw/zinc/05/54/37/193055437.db2.gz RLXBGEYUNAKGAT-UHFFFAOYSA-N -2 0 309.347 1.573 20 0 DDADRL C[C@@H]1CN(C(=O)NCc2cccc(C(=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC000626767724 367735080 /nfs/dbraw/zinc/73/50/80/367735080.db2.gz SKHBMLUHGXDNKR-ZWNOBZJWSA-N -2 0 320.345 1.637 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cn1 ZINC000349950102 284116051 /nfs/dbraw/zinc/11/60/51/284116051.db2.gz XDNHXTBVGXGVJU-UHFFFAOYSA-N -2 0 306.343 1.818 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000567877989 304250733 /nfs/dbraw/zinc/25/07/33/304250733.db2.gz YAKTWBSMNVCOMO-HZSPNIEDSA-N -2 0 319.357 1.670 20 0 DDADRL Cc1c(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cnn1C ZINC000314707805 164016221 /nfs/dbraw/zinc/01/62/21/164016221.db2.gz MJJSOEIJLZJPTP-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL O=C([O-])c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)nc1 ZINC000647730776 423018060 /nfs/dbraw/zinc/01/80/60/423018060.db2.gz PGEYFLSNIDVHFM-XDTLVQLUSA-N -2 0 318.329 1.638 20 0 DDADRL CO[C@@H](C)c1nc(=NC(=O)NCCC(C)(C)C(=O)[O-])s[n-]1 ZINC000424388340 228263179 /nfs/dbraw/zinc/26/31/79/228263179.db2.gz JXXFNRJJKSYHCL-ZETCQYMHSA-N -2 0 316.383 1.290 20 0 DDADRL CC[C@H](CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O)OC ZINC000421154369 419506637 /nfs/dbraw/zinc/50/66/37/419506637.db2.gz MQQHGBUYZPDUFC-MRVPVSSYSA-N -2 0 303.336 1.257 20 0 DDADRL CSCC[C@@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000547880078 421376207 /nfs/dbraw/zinc/37/62/07/421376207.db2.gz SHMMRZLOOWYLLR-PHDIDXHHSA-N -2 0 309.331 1.063 20 0 DDADRL C[C@H](CCC1CC1)NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000563068173 421450281 /nfs/dbraw/zinc/45/02/81/421450281.db2.gz LGTIIWBZDITFRE-SSDOTTSWSA-N -2 0 304.393 1.698 20 0 DDADRL Cc1cccc([C@H](NC(=O)N=c2[n-]ncs2)C(=O)[O-])c1C ZINC000555760029 421690608 /nfs/dbraw/zinc/69/06/08/421690608.db2.gz FXHVLFKKZMYCFP-JTQLQIEISA-N -2 0 306.347 1.524 20 0 DDADRL Cc1cc(C(=O)N2CCc3ccncc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000542638642 421826047 /nfs/dbraw/zinc/82/60/47/421826047.db2.gz ISTQHRBQOUTAHD-UHFFFAOYSA-N -2 0 323.312 1.342 20 0 DDADRL COc1cccc2c1n[nH]c2C(=O)N=c1ncn(C(C)(C)C)[n-]1 ZINC000572764300 421856293 /nfs/dbraw/zinc/85/62/93/421856293.db2.gz PQFXMJYRLGNIHR-UHFFFAOYSA-N -2 0 314.349 1.592 20 0 DDADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CCF)c1 ZINC000629321849 422610629 /nfs/dbraw/zinc/61/06/29/422610629.db2.gz XLUZPNMQBJXYPZ-UHFFFAOYSA-N -2 0 317.298 1.253 20 0 DDADRL CC(C)c1nc(S(=O)(=O)NC2(CC(=O)[O-])CCC2)c[nH]1 ZINC000646018419 423293744 /nfs/dbraw/zinc/29/37/44/423293744.db2.gz JSJUVHVALCDJKY-UHFFFAOYSA-N -2 0 301.368 1.209 20 0 DDADRL O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cc(F)cc(F)c1[O-] ZINC000641691322 423870315 /nfs/dbraw/zinc/87/03/15/423870315.db2.gz CRIBIEZKXUNCKG-VIFPVBQESA-N -2 0 307.318 1.981 20 0 DDADRL O=C([O-])[C@@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)CCO1 ZINC000647219547 423883617 /nfs/dbraw/zinc/88/36/17/423883617.db2.gz MFBRAMURQFJQSJ-VIFPVBQESA-N -2 0 320.128 1.625 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)NC[C@@H](C(=O)[O-])C2CCC2)c1 ZINC000665313965 424780855 /nfs/dbraw/zinc/78/08/55/424780855.db2.gz ZARWCGLUKNEFLB-CYBMUJFWSA-N -2 0 320.345 1.685 20 0 DDADRL O=C(Nc1cc(Cl)c([O-])cc1F)c1c[n-]n2c1nccc2=O ZINC000345700469 272308548 /nfs/dbraw/zinc/30/85/48/272308548.db2.gz DEVAGTYMQWTLOJ-UHFFFAOYSA-N -2 0 322.683 1.773 20 0 DDADRL Cc1ccc(-n2[n-]c(C(=O)N[C@@H](C)CC(=O)[O-])cc2=O)cc1 ZINC000427736303 301474736 /nfs/dbraw/zinc/47/47/36/301474736.db2.gz MOHWXRKFSNWMMX-JTQLQIEISA-N -2 0 303.318 1.067 20 0 DDADRL Cc1n[n-]c(=NC(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)s1 ZINC000567563078 308084068 /nfs/dbraw/zinc/08/40/68/308084068.db2.gz GPIVVKWWOCEONM-NSHDSACASA-N -2 0 320.374 1.833 20 0 DDADRL COCc1nc(=N[C@H](C)c2ncc(C(=O)[O-])s2)s[n-]1 ZINC000569697255 308146493 /nfs/dbraw/zinc/14/64/93/308146493.db2.gz LBXVXNKGMHVBCY-RXMQYKEDSA-N -2 0 300.365 1.434 20 0 DDADRL O=C([O-])c1cnc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)c(Cl)c1 ZINC000662895169 484527293 /nfs/dbraw/zinc/52/72/93/484527293.db2.gz BYFGSXYZESCWAL-LQQYEPNUSA-N -2 0 300.698 1.069 20 0 DDADRL CCCc1nc(=NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)s[n-]1 ZINC000422543431 528688275 /nfs/dbraw/zinc/68/82/75/528688275.db2.gz RVZIQOPIRVRXIX-RKDXNWHRSA-N -2 0 312.395 1.487 20 0 DDADRL O=C([O-])[C@@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000821508866 598220441 /nfs/dbraw/zinc/22/04/41/598220441.db2.gz KIIXDVZCAZABCP-AGIUHOORSA-N -2 0 305.330 1.820 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3)o1 ZINC000740187451 599739084 /nfs/dbraw/zinc/73/90/84/599739084.db2.gz LHVQKISWOZRICI-UHFFFAOYSA-N -2 0 322.298 1.022 20 0 DDADRL CN(CCCC(=O)[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000737430301 599911916 /nfs/dbraw/zinc/91/19/16/599911916.db2.gz ZMPASSYPJITYHL-UHFFFAOYSA-N -2 0 318.326 1.021 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(CCC(=O)[O-])cc1 ZINC000157855701 600235862 /nfs/dbraw/zinc/23/58/62/600235862.db2.gz HMCNCXOWWUULAA-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000740249260 600515410 /nfs/dbraw/zinc/51/54/10/600515410.db2.gz UDHRIMHJORDVOI-UHFFFAOYSA-N -2 0 320.326 1.611 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cccc(C(=O)[O-])c1 ZINC000736966232 600520353 /nfs/dbraw/zinc/52/03/53/600520353.db2.gz YQANEMZKYBPHEM-SNVBAGLBSA-N -2 0 313.375 1.881 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)no1 ZINC000021520364 601360948 /nfs/dbraw/zinc/36/09/48/601360948.db2.gz ODFZGNYMKVWFDQ-QPJJXVBHSA-N -2 0 308.315 1.882 20 0 DDADRL CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n1 ZINC000830104786 601362320 /nfs/dbraw/zinc/36/23/20/601362320.db2.gz SGZYRYSBWIKKSV-UHFFFAOYSA-N -2 0 312.303 1.572 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)no1 ZINC000830224725 601362497 /nfs/dbraw/zinc/36/24/97/601362497.db2.gz UFOUMIXOZARHNE-UHFFFAOYSA-N -2 0 314.294 1.875 20 0 DDADRL Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000832982882 601771471 /nfs/dbraw/zinc/77/14/71/601771471.db2.gz WDFITMGUVVYQMV-UHFFFAOYSA-N -2 0 322.302 1.130 20 0 DDADRL O=C([O-])N1CCC[C@@H](CNC(=O)c2c([O-])cc(F)cc2F)C1 ZINC000740419955 602032507 /nfs/dbraw/zinc/03/25/07/602032507.db2.gz ZELCOEOCKAHERJ-QMMMGPOBSA-N -2 0 314.288 1.790 20 0 DDADRL O=C([O-])c1csc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000833343375 602118487 /nfs/dbraw/zinc/11/84/87/602118487.db2.gz BOUIIKPCPMPRLT-UHFFFAOYSA-N -3 0 316.316 1.273 20 0 DDADRL CCC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000739322235 602669976 /nfs/dbraw/zinc/66/99/76/602669976.db2.gz YUTJTVIBAJLIEZ-VIFPVBQESA-N -2 0 318.326 1.067 20 0 DDADRL O=C([O-])Nc1ccc(CC(=O)[N-]S(=O)(=O)CCCF)cc1 ZINC000832840708 603439067 /nfs/dbraw/zinc/43/90/67/603439067.db2.gz BUUOJDHNYHBKLI-UHFFFAOYSA-N -2 0 318.326 1.125 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000826730048 603445085 /nfs/dbraw/zinc/44/50/85/603445085.db2.gz VUDYTPPKXJHBGH-AXFHLTTASA-N -2 0 320.411 1.305 20 0 DDADRL C[C@@H](CNC(=O)[O-])N(C)C(=O)CSc1n[n-]c(=S)s1 ZINC000824958508 603489593 /nfs/dbraw/zinc/48/95/93/603489593.db2.gz ALLGIPWNKOPGQB-YFKPBYRVSA-N -2 0 322.437 1.033 20 0 DDADRL O=C([O-])Nc1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)c(Cl)c1 ZINC000832833229 603954176 /nfs/dbraw/zinc/95/41/76/603954176.db2.gz JGCUEXGNXSIRPO-UHFFFAOYSA-N -2 0 311.685 1.184 20 0 DDADRL CC(C)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)[O-] ZINC000013299943 604882165 /nfs/dbraw/zinc/88/21/65/604882165.db2.gz KJEFHYKDKCHDLP-QMMMGPOBSA-N -2 0 321.376 1.224 20 0 DDADRL C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000825881502 605274582 /nfs/dbraw/zinc/27/45/82/605274582.db2.gz WTXYAJXCYGOEOS-OUAUKWLOSA-N -2 0 318.395 1.011 20 0 DDADRL CCCCCCC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826819449 605277452 /nfs/dbraw/zinc/27/74/52/605277452.db2.gz CKHVVHMYYRZKBK-SNVBAGLBSA-N -2 0 306.384 1.155 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)C1 ZINC000834059982 605309207 /nfs/dbraw/zinc/30/92/07/605309207.db2.gz MQEXWTNWOVTGPA-QJPTWQEYSA-N -2 0 312.366 1.526 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000834173866 606030326 /nfs/dbraw/zinc/03/03/26/606030326.db2.gz SYORQDBVHDJEOI-XQQFMLRXSA-N -2 0 320.345 1.235 20 0 DDADRL O=C([O-])c1ccc(CCNC(=O)[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000834282454 606032213 /nfs/dbraw/zinc/03/22/13/606032213.db2.gz AJXBOELGGMHXDL-CYBMUJFWSA-N -2 0 320.345 1.434 20 0 DDADRL O=C([O-])CN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000834064697 606048160 /nfs/dbraw/zinc/04/81/60/606048160.db2.gz FHKOEXBSHSRJMM-QWHCGFSZSA-N -2 0 320.345 1.536 20 0 DDADRL O=C([O-])N[C@H](CCC(=O)N[C@@H](C(=O)[O-])C1CC1)c1ccccc1 ZINC000834137743 606053328 /nfs/dbraw/zinc/05/33/28/606053328.db2.gz ONKOJXPHICNIDS-TZMCWYRMSA-N -2 0 320.345 1.755 20 0 DDADRL O=C([O-])CCCCNC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000834059695 606058446 /nfs/dbraw/zinc/05/84/46/606058446.db2.gz KDPRAGDJPYWRIJ-NEPJUHHUSA-N -2 0 314.382 1.964 20 0 DDADRL COC[C@](C)(CC(=O)[O-])NC(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000833882608 606069096 /nfs/dbraw/zinc/06/90/96/606069096.db2.gz PIGJIPNIBCFGGG-HNNXBMFYSA-N -2 0 324.333 1.315 20 0 DDADRL COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000833882420 606069363 /nfs/dbraw/zinc/06/93/63/606069363.db2.gz NKMQWUASBXSOHA-AWEZNQCLSA-N -2 0 310.306 1.386 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)[C@@H]2CCCCN2C(=O)[O-])CC1 ZINC000834058358 606113501 /nfs/dbraw/zinc/11/35/01/606113501.db2.gz BXXHRGKLDJYFHY-LBPRGKRZSA-N -2 0 312.366 1.622 20 0 DDADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)nc2)c1 ZINC000165829999 697340216 /nfs/dbraw/zinc/34/02/16/697340216.db2.gz VDEGRAABCRGDFV-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL Cc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793409993 699754544 /nfs/dbraw/zinc/75/45/44/699754544.db2.gz DAGORIOGAPKCSU-UHFFFAOYSA-N -2 0 314.294 1.930 20 0 DDADRL CC(C)OCCO[N-]C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000812810630 702246139 /nfs/dbraw/zinc/24/61/39/702246139.db2.gz ZNIOWEVFOUPVHC-VIFPVBQESA-N -2 0 314.304 1.162 20 0 DDADRL C[C@@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccn(C)n2)cc1 ZINC000825448950 705672991 /nfs/dbraw/zinc/67/29/91/705672991.db2.gz IGSXLWSQXNDUJZ-SECBINFHSA-N -2 0 324.362 1.550 20 0 DDADRL O=C([O-])Cc1ccc(-n2[n-]c(C(F)(F)F)c(F)c2=O)cc1 ZINC000871961024 707256548 /nfs/dbraw/zinc/25/65/48/707256548.db2.gz DZEKMUKZSMVAHB-VIFPVBQESA-N -2 0 304.199 1.917 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccn3ccccc23)C1 ZINC000910181203 709800559 /nfs/dbraw/zinc/80/05/59/709800559.db2.gz ABUAEQXHMFOVSF-MFKMUULPSA-N -2 0 316.313 1.329 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC000910185413 709802010 /nfs/dbraw/zinc/80/20/10/709802010.db2.gz ZHVXSUOHANBXMB-KLHWPWHYSA-N -2 0 323.370 1.628 20 0 DDADRL Cc1ccc(CCC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC000910187792 709803237 /nfs/dbraw/zinc/80/32/37/709803237.db2.gz GYJLFBDWXYFJGR-UONOGXRCSA-N -2 0 319.357 1.704 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)C=C(C1CC1)C1CC1 ZINC000910189373 709803911 /nfs/dbraw/zinc/80/39/11/709803911.db2.gz SGZFLHLUYBDTMQ-WCQYABFASA-N -2 0 307.346 1.509 20 0 DDADRL C/C(=C\C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000910190358 709804386 /nfs/dbraw/zinc/80/43/86/709804386.db2.gz WLGOTIDJPSKPBU-LLVNNSLESA-N -2 0 317.341 1.866 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc2c(c1)CCC2 ZINC000910190620 709805184 /nfs/dbraw/zinc/80/51/84/709805184.db2.gz AOGFBIJEEHYYLZ-UONOGXRCSA-N -2 0 317.341 1.565 20 0 DDADRL O=C([O-])[C@@H]1[C@H](CNC(=O)c2cc(F)c([O-])c(Cl)c2)C1(F)F ZINC000910487670 709969252 /nfs/dbraw/zinc/96/92/52/709969252.db2.gz NZVKLMHDRPLMFZ-XNCJUZBTSA-N -2 0 323.654 1.880 20 0 DDADRL C[C@H]1CN(C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)CC[C@H]1C(=O)[O-] ZINC000902182612 710652524 /nfs/dbraw/zinc/65/25/24/710652524.db2.gz ZYHVFDFOBGDZNL-VHSXEESVSA-N -2 0 311.378 1.693 20 0 DDADRL CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000906789419 712412124 /nfs/dbraw/zinc/41/21/24/712412124.db2.gz WCLVVKTYVQWQSU-QMMMGPOBSA-N -2 0 321.782 1.918 20 0 DDADRL CC(C)C[C@@](C)(C[N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000926575397 715090039 /nfs/dbraw/zinc/09/00/39/715090039.db2.gz GUKKGRXVTGWCNV-WPRPVWTQSA-N -2 0 319.345 1.994 20 0 DDADRL O=P([O-])([O-])c1ccc(NCC2(c3ccccc3)COC2)cc1 ZINC001167297781 733081211 /nfs/dbraw/zinc/08/12/11/733081211.db2.gz PXVKRQIJEKNZDD-UHFFFAOYSA-N -2 0 319.297 1.870 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC001183485723 743841169 /nfs/dbraw/zinc/84/11/69/743841169.db2.gz HNGVTKZRZXMKKG-DTWKUNHWSA-N -2 0 321.216 1.294 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1ncccc1C1CCC1 ZINC001185289433 744199145 /nfs/dbraw/zinc/19/91/45/744199145.db2.gz ISSSWXHHDQIFHE-UHFFFAOYSA-N -2 0 300.251 1.188 20 0 DDADRL O=C(NCCn1cccc1)c1ccccc1OP(=O)([O-])[O-] ZINC001189899494 745048209 /nfs/dbraw/zinc/04/82/09/745048209.db2.gz CPKUPGATOZMBQQ-UHFFFAOYSA-N -2 0 310.246 1.390 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cc(-c2ccccc2)c[nH]1 ZINC001195657085 746674634 /nfs/dbraw/zinc/67/46/34/746674634.db2.gz KWMDWTHYBVCEOD-UHFFFAOYSA-N -2 0 310.246 1.521 20 0 DDADRL COc1nc(C)cnc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198742123 747587336 /nfs/dbraw/zinc/58/73/36/747587336.db2.gz WCNXXAGRGKPKEA-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL COc1c(O)cccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198792802 747612609 /nfs/dbraw/zinc/61/26/09/747612609.db2.gz UYIXPWKKBQABJV-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cc2c(nccc2Cl)[nH]1 ZINC001153029135 748806902 /nfs/dbraw/zinc/80/69/02/748806902.db2.gz COINXANBXKAVIE-UHFFFAOYSA-N -2 0 319.641 1.055 20 0 DDADRL CCOc1nc(NCCOP(=O)([O-])[O-])nc2c1CCCC2 ZINC001168590926 751213928 /nfs/dbraw/zinc/21/39/28/751213928.db2.gz CECCZZJLOWWUEP-UHFFFAOYSA-N -2 0 317.282 1.275 20 0 DDADRL CC1(C)CNC(=O)c2cc(NCCOP(=O)([O-])[O-])ccc21 ZINC001168595109 751258197 /nfs/dbraw/zinc/25/81/97/751258197.db2.gz FZALYBDIIMPRHZ-UHFFFAOYSA-N -2 0 314.278 1.229 20 0 DDADRL CC1(C)COC(c2ccccc2NCCOP(=O)([O-])[O-])=N1 ZINC001168595712 751267130 /nfs/dbraw/zinc/26/71/30/751267130.db2.gz LSNLOQAGAAOREW-UHFFFAOYSA-N -2 0 314.278 1.763 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc2c(s1)CCC2 ZINC000827898063 759413399 /nfs/dbraw/zinc/41/33/99/759413399.db2.gz UNPIZPKGCAANTC-VHSXEESVSA-N -2 0 323.370 1.627 20 0 DDADRL C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1cccs1 ZINC000828470953 759662410 /nfs/dbraw/zinc/66/24/10/759662410.db2.gz ZQNUHZAMTVKQSR-AEJSXWLSSA-N -2 0 311.359 1.628 20 0 DDADRL O=C([O-])c1cc(Nc2cnn3c2OCCC3)cc(C(=O)[O-])c1 ZINC001176237542 778089181 /nfs/dbraw/zinc/08/91/81/778089181.db2.gz IWIMSNXSYCAJOH-UHFFFAOYSA-N -2 0 303.274 1.806 20 0 DDADRL CC(C)c1cccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1 ZINC001225239581 881736811 /nfs/dbraw/zinc/73/68/11/881736811.db2.gz FIBLSYFWBVCCTB-LLVKDONJSA-N -2 0 304.235 1.186 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(Cc3nn[nH]n3)cc2)c1 ZINC001242163261 891355853 /nfs/dbraw/zinc/35/58/53/891355853.db2.gz SKLZYKBDYFJETJ-UHFFFAOYSA-N -2 0 324.296 1.854 20 0 DDADRL COC(=O)c1cncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242160641 891356115 /nfs/dbraw/zinc/35/61/15/891356115.db2.gz GSISAPWPTPDLDQ-UHFFFAOYSA-N -2 0 301.254 1.932 20 0 DDADRL CN1CCOc2cc(-c3ccc(P(=O)([O-])[O-])cc3)ccc21 ZINC001243943593 891760432 /nfs/dbraw/zinc/76/04/32/891760432.db2.gz HHAHQMJUAYWCLJ-UHFFFAOYSA-N -2 0 305.270 1.985 20 0 DDADRL CCOc1cnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC001260183933 899077467 /nfs/dbraw/zinc/07/74/67/899077467.db2.gz JGYLOFBOVAXPHD-UHFFFAOYSA-N -2 0 323.330 1.374 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ncc(F)s2)cc1 ZINC001260220997 899093087 /nfs/dbraw/zinc/09/30/87/899093087.db2.gz BKXKZAWLLLRWSU-UHFFFAOYSA-N -2 0 302.308 1.781 20 0 DDADRL Cn1nnnc1[N-]S(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260866936 899286717 /nfs/dbraw/zinc/28/67/17/899286717.db2.gz KKCXCMYSOXIFSZ-UHFFFAOYSA-N -2 0 324.149 1.023 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)nn1C ZINC000305341777 231000882 /nfs/dbraw/zinc/00/08/82/231000882.db2.gz LVAOQFHBIPDFLB-UHFFFAOYSA-N -2 0 301.349 1.289 20 0 DDADRL Cc1oc(CN=c2[n-]c(C3CCOCC3)no2)cc1C(=O)[O-] ZINC000584721638 354753246 /nfs/dbraw/zinc/75/32/46/354753246.db2.gz DOUIPOQTHCOZMA-UHFFFAOYSA-N -2 0 307.306 1.597 20 0 DDADRL COc1cncc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])c1 ZINC000337133829 249360013 /nfs/dbraw/zinc/36/00/13/249360013.db2.gz BBDYSQDSKJNYHM-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL CCC[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1nnn[n-]1 ZINC000183068704 408318397 /nfs/dbraw/zinc/31/83/97/408318397.db2.gz GQCLNYPABFOWFR-ZETCQYMHSA-N -2 0 315.255 1.594 20 0 DDADRL Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000190932165 408343784 /nfs/dbraw/zinc/34/37/84/408343784.db2.gz XCJVXTFDXSYPLB-MRVPVSSYSA-N -2 0 309.366 1.169 20 0 DDADRL Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NOCC1CC1 ZINC000293762929 409175720 /nfs/dbraw/zinc/17/57/20/409175720.db2.gz LXYSTGZTCXEEHH-UHFFFAOYSA-N -2 0 304.350 1.442 20 0 DDADRL Cc1c(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cnn1C ZINC000314824386 164017306 /nfs/dbraw/zinc/01/73/06/164017306.db2.gz ZWXJQWYRPVUOKZ-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000337878360 409530172 /nfs/dbraw/zinc/53/01/72/409530172.db2.gz WGBSNNVAMDYADM-UHFFFAOYSA-N -2 0 321.310 1.914 20 0 DDADRL Cc1ncc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cn1 ZINC000343261258 410284997 /nfs/dbraw/zinc/28/49/97/410284997.db2.gz PNRIVPYMQTVGJW-UHFFFAOYSA-N -2 0 323.330 1.049 20 0 DDADRL COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccc(F)c(F)c1[O-] ZINC000414386767 419817603 /nfs/dbraw/zinc/81/76/03/419817603.db2.gz UVTVZOVLJJZGAT-UHFFFAOYSA-N -2 0 323.317 1.611 20 0 DDADRL COc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433527704 229216187 /nfs/dbraw/zinc/21/61/87/229216187.db2.gz HLMOPDVYDXDWHP-UHFFFAOYSA-N -3 0 324.314 1.295 20 0 DDADRL COc1cncc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1 ZINC000436490616 420332254 /nfs/dbraw/zinc/33/22/54/420332254.db2.gz UDMHRAMOMIMBOA-UHFFFAOYSA-N -2 0 324.314 1.295 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])C1 ZINC000653278674 423416324 /nfs/dbraw/zinc/41/63/24/423416324.db2.gz DYCCNNDYNOOOPZ-YYHQMBLXSA-N -2 0 309.362 1.732 20 0 DDADRL C[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655578829 424579485 /nfs/dbraw/zinc/57/94/85/424579485.db2.gz XCACBEMSPYIQGU-HRDYMLBCSA-N -2 0 321.333 1.040 20 0 DDADRL Cc1ccc(-c2cc(=NC(=O)N=c3cc(C)c(C)n[n-]3)[nH][n-]2)o1 ZINC000345147219 272181455 /nfs/dbraw/zinc/18/14/55/272181455.db2.gz JFJLKWXNFBRMLC-UHFFFAOYSA-N -2 0 312.333 1.873 20 0 DDADRL CC(C)(CCNC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000424234648 278607274 /nfs/dbraw/zinc/60/72/74/278607274.db2.gz QYYZAQWNGNQDIM-UHFFFAOYSA-N -2 0 317.345 1.809 20 0 DDADRL CC(C)[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)[O-] ZINC000663023082 484607073 /nfs/dbraw/zinc/60/70/73/484607073.db2.gz QVCRZHYUEUSOQU-LBPRGKRZSA-N -2 0 321.308 1.556 20 0 DDADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2(C(=O)[O-])CCCCCC2)C1 ZINC000663056310 484632066 /nfs/dbraw/zinc/63/20/66/484632066.db2.gz MHXQFBVUCZHLKT-VXGBXAGGSA-N -2 0 311.378 1.981 20 0 DDADRL CCSc1n[n-]c(=NC(=O)N2CCC[C@H](C(=O)[O-])C2)s1 ZINC000417740295 529259436 /nfs/dbraw/zinc/25/94/36/529259436.db2.gz XXVKHVNFRAKOOD-ZETCQYMHSA-N -2 0 316.408 1.401 20 0 DDADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000049566524 599735862 /nfs/dbraw/zinc/73/58/62/599735862.db2.gz HMHFJJJQTRZAGM-UHFFFAOYSA-N -2 0 315.278 1.926 20 0 DDADRL O=C([O-])NCCCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000739956255 599797423 /nfs/dbraw/zinc/79/74/23/599797423.db2.gz DLUSWECGEVWQPS-UHFFFAOYSA-N -2 0 320.754 1.193 20 0 DDADRL O=C([O-])NCCC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000739937567 599801109 /nfs/dbraw/zinc/80/11/09/599801109.db2.gz ACHXNYCJQKOSFW-UHFFFAOYSA-N -2 0 324.358 1.077 20 0 DDADRL CCOC(=O)c1ccccc1[N-]S(=O)(=O)CCC(=O)[O-] ZINC000737155177 599868235 /nfs/dbraw/zinc/86/82/35/599868235.db2.gz QIGSZAADLBBOEA-UHFFFAOYSA-N -2 0 301.320 1.080 20 0 DDADRL COc1cc([N-]S(=O)(=O)CCC(=O)[O-])c(OC)cc1Cl ZINC000021819229 599873817 /nfs/dbraw/zinc/87/38/17/599873817.db2.gz KVHMRKINYCOKJR-UHFFFAOYSA-N -2 0 323.754 1.574 20 0 DDADRL Cc1cnc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])s1 ZINC000036732415 600050707 /nfs/dbraw/zinc/05/07/07/600050707.db2.gz FOKWMGNNVSBVHX-UHFFFAOYSA-N -2 0 316.360 2.160 20 0 DDADRL Cc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])sc1C ZINC000738332106 600462578 /nfs/dbraw/zinc/46/25/78/600462578.db2.gz FKAWNXCWWADWKO-UHFFFAOYSA-N -2 0 305.377 1.289 20 0 DDADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000316198024 600514171 /nfs/dbraw/zinc/51/41/71/600514171.db2.gz LZSJVAFKDGRXAD-UHFFFAOYSA-N -2 0 320.326 1.516 20 0 DDADRL Cc1nc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)s1 ZINC000832995506 601251703 /nfs/dbraw/zinc/25/17/03/601251703.db2.gz BUKSCBJRKQRYJB-UHFFFAOYSA-N -2 0 302.333 1.852 20 0 DDADRL Cc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)s1 ZINC000312786039 601501976 /nfs/dbraw/zinc/50/19/76/601501976.db2.gz OSAZPAAAODCXKL-UHFFFAOYSA-N -2 0 313.360 1.654 20 0 DDADRL O=C([O-])[C@]1(NC(=O)c2ccc3[n-]c(=S)oc3c2)CCOC1 ZINC000833127676 601767021 /nfs/dbraw/zinc/76/70/21/601767021.db2.gz OLGOHTCYEFADLY-ZDUSSCGKSA-N -2 0 308.315 1.090 20 0 DDADRL C[C@H]1CN(Cc2c([O-])nnn2-c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828457712 601816888 /nfs/dbraw/zinc/81/68/88/601816888.db2.gz WXCSVNCICXGABP-JQWIXIFHSA-N -2 0 302.334 1.125 20 0 DDADRL Cc1ncc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cn1 ZINC000833009706 601861563 /nfs/dbraw/zinc/86/15/63/601861563.db2.gz PVOFTBTULMXLDL-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL C[C@@]1(C(=O)[O-])CCN(Cc2c([O-])nnn2-c2ccccc2)C1 ZINC000828029072 601893617 /nfs/dbraw/zinc/89/36/17/601893617.db2.gz OZRHRVMKVBTJQK-OAHLLOKOSA-N -2 0 302.334 1.270 20 0 DDADRL O=C([O-])N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000740458293 601947743 /nfs/dbraw/zinc/94/77/43/601947743.db2.gz UUGRHIXTHBOIME-QNWHQSFQSA-N -2 0 312.366 1.872 20 0 DDADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000827304079 602178084 /nfs/dbraw/zinc/17/80/84/602178084.db2.gz OPHGSPYJZWKWTG-SSDOTTSWSA-N -2 0 305.739 1.256 20 0 DDADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000827304385 602186633 /nfs/dbraw/zinc/18/66/33/602186633.db2.gz SNDMTRUDPSAMAY-ZCFIWIBFSA-N -2 0 323.729 1.395 20 0 DDADRL CCCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n[nH]1 ZINC000228328319 602305390 /nfs/dbraw/zinc/30/53/90/602305390.db2.gz RBQUIAHKYKZCTL-UHFFFAOYSA-N -2 0 312.351 1.200 20 0 DDADRL Cc1oc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)cc1C(=O)[O-] ZINC000833026406 602306735 /nfs/dbraw/zinc/30/67/35/602306735.db2.gz AHYXMRQARHOCGK-UHFFFAOYSA-N -2 0 311.319 1.688 20 0 DDADRL C[C@@H]1CN(C(=O)c2c([O-])cc(F)cc2F)CC[C@@H]1NC(=O)[O-] ZINC000739163930 602869410 /nfs/dbraw/zinc/86/94/10/602869410.db2.gz QZSOAGBEGQBHNR-XCBNKYQSSA-N -2 0 314.288 1.789 20 0 DDADRL O=C([O-])Nc1cccc(C(=O)NC2(c3nnn[n-]3)CCCC2)c1 ZINC000740028461 603100565 /nfs/dbraw/zinc/10/05/65/603100565.db2.gz CFZMVCGIJMVEKF-UHFFFAOYSA-N -2 0 316.321 1.489 20 0 DDADRL O=C([O-])NC[C@H]1CCCN(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000832532950 603750228 /nfs/dbraw/zinc/75/02/28/603750228.db2.gz GNPQSQJPCNZQPV-MRVPVSSYSA-N -2 0 314.288 1.790 20 0 DDADRL CS/C=C/C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000832747744 604938860 /nfs/dbraw/zinc/93/88/60/604938860.db2.gz KVWWBWJMYMAUAL-AATRIKPKSA-N -2 0 301.345 1.066 20 0 DDADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)c1 ZINC000833493542 605166905 /nfs/dbraw/zinc/16/69/05/605166905.db2.gz CJMOKKKGOTVQME-UHFFFAOYSA-N -2 0 324.362 1.433 20 0 DDADRL C[C@H](CC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)NC(=O)[O-] ZINC000833798652 605307874 /nfs/dbraw/zinc/30/78/74/605307874.db2.gz FUJUHMNNKQRDTH-ZJUUUORDSA-N -2 0 300.355 1.382 20 0 DDADRL O=C([O-])N[C@H](Cc1ccccc1)C(=O)[N-]OCC(F)(F)F ZINC000832148618 605415349 /nfs/dbraw/zinc/41/53/49/605415349.db2.gz SFMYLCREKQLOFU-SECBINFHSA-N -2 0 306.240 1.475 20 0 DDADRL C[C@@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833607880 605482964 /nfs/dbraw/zinc/48/29/64/605482964.db2.gz ICPVENWASRBVFP-HTQZYQBOSA-N -2 0 317.388 1.687 20 0 DDADRL O=C(CC[C@@H]1CCCN1C(=O)[O-])[N-]S(=O)(=O)CC1CCC1 ZINC000833998943 605524568 /nfs/dbraw/zinc/52/45/68/605524568.db2.gz VLEFBNQTKIMTJX-NSHDSACASA-N -2 0 318.395 1.155 20 0 DDADRL O=C([O-])c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000834283704 606028722 /nfs/dbraw/zinc/02/87/22/606028722.db2.gz UHLHZWFDBNXCJR-GFCCVEGCSA-N -2 0 306.318 1.391 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000834162335 606030503 /nfs/dbraw/zinc/03/05/03/606030503.db2.gz CYXUMKFXTSHMRO-XQQFMLRXSA-N -2 0 320.345 1.235 20 0 DDADRL O=C([O-])NC1(CC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])CCC1 ZINC000834156028 606031533 /nfs/dbraw/zinc/03/15/33/606031533.db2.gz UKAFIBNWCKLWFL-TUAOUCFPSA-N -2 0 324.377 1.811 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@H]1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000834171832 606056226 /nfs/dbraw/zinc/05/62/26/606056226.db2.gz GSSBRQJYEFLBGE-LDYMZIIASA-N -2 0 310.281 1.899 20 0 DDADRL O=C([O-])CCCCNC(=O)[C@H]1c2ccccc2CCN1C(=O)[O-] ZINC000834060620 606058168 /nfs/dbraw/zinc/05/81/68/606058168.db2.gz TUQFKLQNYWSXOE-CQSZACIVSA-N -2 0 320.345 1.635 20 0 DDADRL C[C@@H](NC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000833895090 606067645 /nfs/dbraw/zinc/06/76/45/606067645.db2.gz PSIRKEMBKGDIJA-XCBNKYQSSA-N -2 0 314.725 1.628 20 0 DDADRL O=C([O-])[C@H](NC(=O)C[C@@H]1CCCN1C(=O)[O-])c1ccccc1F ZINC000833987302 606067720 /nfs/dbraw/zinc/06/77/20/606067720.db2.gz HMRXIFIOIJNHKD-TVQRCGJNSA-N -2 0 324.308 1.600 20 0 DDADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2cnoc2)c1 ZINC000125694554 696755203 /nfs/dbraw/zinc/75/52/03/696755203.db2.gz OOFFVRSDFYFSCP-UHFFFAOYSA-N -2 0 304.230 1.452 20 0 DDADRL CC(F)(F)CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000393631618 699103858 /nfs/dbraw/zinc/10/38/58/699103858.db2.gz JOJDJUZSURUJMN-UHFFFAOYSA-N -2 0 311.281 1.848 20 0 DDADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(C)n1 ZINC000793353012 699752172 /nfs/dbraw/zinc/75/21/72/699752172.db2.gz NCHOBGABCWBDCY-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000863954750 706045777 /nfs/dbraw/zinc/04/57/77/706045777.db2.gz LRJJGYFDLRVMED-MXWKQRLJSA-N -2 0 305.396 1.370 20 0 DDADRL Cc1ccc(CS(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])cc1 ZINC000863962298 706047160 /nfs/dbraw/zinc/04/71/60/706047160.db2.gz YHHKBYUEGVXYLL-UHFFFAOYSA-N -2 0 313.375 1.586 20 0 DDADRL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1sccc1Cl ZINC000863962890 706047315 /nfs/dbraw/zinc/04/73/15/706047315.db2.gz AYIXAXVJYAGGPP-UHFFFAOYSA-N -2 0 311.768 1.317 20 0 DDADRL O=C([O-])c1ccccc1CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000900470685 709611518 /nfs/dbraw/zinc/61/15/18/709611518.db2.gz YBXHYWUQJUWGHM-UONOGXRCSA-N -2 0 317.341 1.497 20 0 DDADRL CSCCCCC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910185830 709801960 /nfs/dbraw/zinc/80/19/60/709801960.db2.gz YWOGYNCOFCKIIF-ZJUUUORDSA-N -2 0 303.380 1.296 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCc2cccs2)C1 ZINC000910187848 709803130 /nfs/dbraw/zinc/80/31/30/709803130.db2.gz HCJJIKUCOHEHKG-ONGXEEELSA-N -2 0 311.359 1.457 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(Cl)cc2)C1 ZINC000910187120 709803134 /nfs/dbraw/zinc/80/31/34/709803134.db2.gz ZUPMZBTWCVBQSA-ONGXEEELSA-N -2 0 311.721 1.730 20 0 DDADRL CO[C@]1(C(=O)[O-])CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000910219031 709821330 /nfs/dbraw/zinc/82/13/30/709821330.db2.gz MKLFLRRQRDRXOZ-CYBMUJFWSA-N -2 0 317.700 1.500 20 0 DDADRL O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000910588940 710012727 /nfs/dbraw/zinc/01/27/27/710012727.db2.gz ANCJUUXDDXGXTP-MWLCHTKSSA-N -2 0 313.737 1.798 20 0 DDADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C2(C(=O)[O-])CCSCC2)C1 ZINC000901658072 710111270 /nfs/dbraw/zinc/11/12/70/710111270.db2.gz WYGBFCMZFWMINP-UWVGGRQHSA-N -2 0 315.391 1.154 20 0 DDADRL C[C@H]1CCN(C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)C[C@H]1C(=O)[O-] ZINC000901700291 710124118 /nfs/dbraw/zinc/12/41/18/710124118.db2.gz PSVAZUJEKACSKN-VHSXEESVSA-N -2 0 311.378 1.693 20 0 DDADRL CC(C)(C(=O)NCCOP(=O)([O-])[O-])c1c(F)cccc1F ZINC001181189413 743098342 /nfs/dbraw/zinc/09/83/42/743098342.db2.gz ADCRAFOCSGQFQO-UHFFFAOYSA-N -2 0 323.232 1.468 20 0 DDADRL O=C(C=C([O-])c1ccccc1Cl)N[C@H]1SC(=O)[N-]C1=O ZINC001185434950 744222198 /nfs/dbraw/zinc/22/21/98/744222198.db2.gz BEUSBCWNUAFDGT-NSHDSACASA-N -2 0 312.734 1.338 20 0 DDADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ncco2)c1 ZINC001187545773 744577939 /nfs/dbraw/zinc/57/79/39/744577939.db2.gz VWRZCKBXMJJKQS-UHFFFAOYSA-N -2 0 302.695 1.827 20 0 DDADRL O=C(Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1)c1cn[nH]n1 ZINC001189347982 744876713 /nfs/dbraw/zinc/87/67/13/744876713.db2.gz HGVGDZMTBXYKAQ-UHFFFAOYSA-N -2 0 318.314 1.457 20 0 DDADRL CO[C@@H]1CCCN(C(=O)c2ccccc2OP(=O)([O-])[O-])C1 ZINC001189887432 745042524 /nfs/dbraw/zinc/04/25/24/745042524.db2.gz PADKZSYBJVINFC-SNVBAGLBSA-N -2 0 315.262 1.409 20 0 DDADRL CC(C)C[C@H](CO)NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189900125 745048593 /nfs/dbraw/zinc/04/85/93/745048593.db2.gz RGCRCPOGLNYBRT-SNVBAGLBSA-N -2 0 317.278 1.295 20 0 DDADRL CCOC(=O)c1cnc(NC(=O)c2cc(F)c([O-])cc2F)[n-]1 ZINC001192852932 745916828 /nfs/dbraw/zinc/91/68/28/745916828.db2.gz OQIFRKHBYVERTK-UHFFFAOYSA-N -2 0 311.244 1.823 20 0 DDADRL CC(=O)O[C@@H]1Cc2ccc(NCCOP(=O)([O-])[O-])cc2C1 ZINC001168590986 751215141 /nfs/dbraw/zinc/21/51/41/751215141.db2.gz FPDFLULWTONKSD-CYBMUJFWSA-N -2 0 315.262 1.238 20 0 DDADRL CCOC(=O)c1c(NCCOP(=O)([O-])[O-])cccc1OC ZINC001168596694 751274141 /nfs/dbraw/zinc/27/41/41/751274141.db2.gz XSFYAVWJALTPEY-UHFFFAOYSA-N -2 0 319.250 1.393 20 0 DDADRL O=C([O-])c1nnc(NCc2cc(=O)[n-]o2)cc1C(F)(F)F ZINC001169483913 762445552 /nfs/dbraw/zinc/44/55/52/762445552.db2.gz FSSICHLMYYZYNM-UHFFFAOYSA-N -2 0 304.184 1.499 20 0 DDADRL CCOC(=O)c1nonc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237521 778089199 /nfs/dbraw/zinc/08/91/99/778089199.db2.gz WLGAPXSMCGFYHO-UHFFFAOYSA-N -2 0 321.245 1.386 20 0 DDADRL Cc1ccc(C(C)C)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225224186 881731221 /nfs/dbraw/zinc/73/12/21/881731221.db2.gz AFIOQFFKUMNZQL-SMDDNHRTSA-N -2 0 324.329 1.560 20 0 DDADRL CSc1nc2ccsc2c(NCCOP(=O)([O-])[O-])n1 ZINC001157788015 864140378 /nfs/dbraw/zinc/14/03/78/864140378.db2.gz WHHRZZLWABXUHF-UHFFFAOYSA-N -2 0 321.320 1.934 20 0 DDADRL Cc1nc(-c2ccncc2)nc(NCCOP(=O)([O-])[O-])c1C ZINC001157796139 864149672 /nfs/dbraw/zinc/14/96/72/864149672.db2.gz XUNJCLSGDTWYFZ-UHFFFAOYSA-N -2 0 324.277 1.099 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC001330252526 864190297 /nfs/dbraw/zinc/19/02/97/864190297.db2.gz HTZUNMJPZAGSPV-SNVBAGLBSA-N -2 0 319.766 1.502 20 0 DDADRL Cc1ccc(Cl)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225875340 882080666 /nfs/dbraw/zinc/08/06/66/882080666.db2.gz FNTZZNBGWITXOW-KWQFWETISA-N -2 0 316.693 1.090 20 0 DDADRL CC(C)(C)OC(=O)CCNc1ccc(P(=O)([O-])[O-])cc1 ZINC001163415326 868435173 /nfs/dbraw/zinc/43/51/73/868435173.db2.gz BKLYODQAISCTNR-UHFFFAOYSA-N -2 0 301.279 1.633 20 0 DDADRL Cc1cc(C)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(C)c1 ZINC001228407438 883483584 /nfs/dbraw/zinc/48/35/84/883483584.db2.gz LPIRSCYPKFMIMQ-ZYHUDNBSSA-N -2 0 310.302 1.054 20 0 DDADRL O=C([O-])c1ccc(-c2ccc3c(c2)S(=O)(=O)[N-]C3=O)cc1 ZINC001236064211 889091713 /nfs/dbraw/zinc/09/17/13/889091713.db2.gz BTBDAXHMBIRYGY-UHFFFAOYSA-N -2 0 303.295 1.484 20 0 DDADRL O=C(NC1(c2nnn[n-]2)CCC1)c1cc(F)c([O-])c(Cl)c1 ZINC001364663226 889148933 /nfs/dbraw/zinc/14/89/33/889148933.db2.gz MQJLPBFSJVGMID-UHFFFAOYSA-N -2 0 311.704 1.507 20 0 DDADRL O=S(=O)([O-])c1cccc([N-]S(=O)(=O)c2cccnc2)c1 ZINC001259607418 898737221 /nfs/dbraw/zinc/73/72/21/898737221.db2.gz RBVMKQHZNFYULC-UHFFFAOYSA-N -2 0 314.344 1.129 20 0 DDADRL O=S(=O)([N-]c1nc(Br)ccc1[O-])C(F)F ZINC001259949922 898969416 /nfs/dbraw/zinc/96/94/16/898969416.db2.gz RBVSBBLHBVARNF-UHFFFAOYSA-N -2 0 303.084 1.514 20 0 DDADRL CC[C@H](C[N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000087499035 185226884 /nfs/dbraw/zinc/22/68/84/185226884.db2.gz MQMNHXKZKJQIJP-ZCFIWIBFSA-N -2 0 311.281 1.493 20 0 DDADRL CCc1ncc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cn1 ZINC000446990081 529758961 /nfs/dbraw/zinc/75/89/61/529758961.db2.gz PLDKSPLXDFJUMF-UHFFFAOYSA-N -2 0 321.358 1.467 20 0 DDADRL O=C([O-])CCCC[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000070200060 190871123 /nfs/dbraw/zinc/87/11/23/190871123.db2.gz IHRSKQIJTHWEND-UHFFFAOYSA-N -2 0 311.281 1.637 20 0 DDADRL CC[C@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000566010353 304109884 /nfs/dbraw/zinc/10/98/84/304109884.db2.gz MLHCSXHESCWKQH-LURJTMIESA-N -2 0 315.244 1.385 20 0 DDADRL Cc1cc(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000091509371 193066673 /nfs/dbraw/zinc/06/66/73/193066673.db2.gz MQXKULCHYZLMNM-UHFFFAOYSA-N -2 0 312.322 1.972 20 0 DDADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1 ZINC000350482704 284204528 /nfs/dbraw/zinc/20/45/28/284204528.db2.gz UAAXSYPJBYMVGY-UHFFFAOYSA-N -2 0 311.319 1.064 20 0 DDADRL O=C([O-])c1cccc(C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000262257605 304256794 /nfs/dbraw/zinc/25/67/94/304256794.db2.gz QNNVFMADZOLYJV-BLLLJJGKSA-N -2 0 303.314 1.712 20 0 DDADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccnn2C)cc1 ZINC000317632969 164027799 /nfs/dbraw/zinc/02/77/99/164027799.db2.gz OWIMTDDYASBNON-JTQLQIEISA-N -2 0 323.374 1.799 20 0 DDADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000361999508 164154835 /nfs/dbraw/zinc/15/48/35/164154835.db2.gz JROYYWHJVRFIRK-UHFFFAOYSA-N -2 0 321.358 1.637 20 0 DDADRL COC1(CS(=O)(=O)[N-]c2cc(C)ccc2O)CCOCC1 ZINC000650185141 423075822 /nfs/dbraw/zinc/07/58/22/423075822.db2.gz QSPZMXYYBJMBNL-UHFFFAOYSA-N -2 0 315.391 1.638 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1cc(F)c(C)cc1C(=O)[O-] ZINC000548259583 421415493 /nfs/dbraw/zinc/41/54/93/421415493.db2.gz IXBBYVYDYIKLCM-UHFFFAOYSA-N -2 0 313.310 1.665 20 0 DDADRL C[C@](O)(CNC(=O)c1c([O-])cc(Cl)cc1Cl)C(=O)[O-] ZINC000563958310 421561285 /nfs/dbraw/zinc/56/12/85/421561285.db2.gz URLNQIRCXXJUKL-NSHDSACASA-N -2 0 308.117 1.264 20 0 DDADRL C[C@H]1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)C[C@@H]1C(=O)[O-] ZINC000570206807 421632139 /nfs/dbraw/zinc/63/21/39/421632139.db2.gz BGYJKUYIFITRHJ-XKGSQUFQSA-N -2 0 312.366 1.382 20 0 DDADRL O=C([O-])CCCCCNC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000556907803 421750511 /nfs/dbraw/zinc/75/05/11/421750511.db2.gz QWOZTJHGMOYFED-LLVKDONJSA-N -2 0 300.355 1.528 20 0 DDADRL CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000653340704 423446502 /nfs/dbraw/zinc/44/65/02/423446502.db2.gz OWCFFJPFNOAJJR-CYBMUJFWSA-N -2 0 317.345 1.409 20 0 DDADRL O=C([O-])COc1cccc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000659764402 424232066 /nfs/dbraw/zinc/23/20/66/424232066.db2.gz PZUYBSRXWMKRBV-WDEREUQCSA-N -2 0 307.302 1.133 20 0 DDADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cnc3n2CCC3)cc1 ZINC000361996637 299980816 /nfs/dbraw/zinc/98/08/16/299980816.db2.gz OSCAHGBKLBODJB-UHFFFAOYSA-N -2 0 321.358 1.257 20 0 DDADRL CCc1nc(=NCCc2ccc(OCC(=O)[O-])cc2)s[n-]1 ZINC000514733651 302742652 /nfs/dbraw/zinc/74/26/52/302742652.db2.gz XLFAHHSTRAUMQG-UHFFFAOYSA-N -2 0 307.375 1.640 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]c(C)n1 ZINC000530955839 303222384 /nfs/dbraw/zinc/22/23/84/303222384.db2.gz RSZIRERKWWBVRV-UHFFFAOYSA-N -2 0 309.347 1.780 20 0 DDADRL COCCc1nc(=NC[C@H](Cc2ccccc2)C(=O)[O-])s[n-]1 ZINC000578016289 308430883 /nfs/dbraw/zinc/43/08/83/308430883.db2.gz RGWMYVSFUVVYEE-LBPRGKRZSA-N -2 0 321.402 1.504 20 0 DDADRL CC(C)[C@@H](CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C(=O)[O-] ZINC000656231732 484037566 /nfs/dbraw/zinc/03/75/66/484037566.db2.gz NQMNGKJYAAUWPE-LLVKDONJSA-N -2 0 319.317 1.117 20 0 DDADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1 ZINC000436993998 484134654 /nfs/dbraw/zinc/13/46/54/484134654.db2.gz JUIDFQRPRXZQSS-UHFFFAOYSA-N -2 0 323.330 1.177 20 0 DDADRL CO[C@@H](C)c1nc(=NCCc2nc(C(=O)[O-])cs2)s[n-]1 ZINC000381993539 490778277 /nfs/dbraw/zinc/77/82/77/490778277.db2.gz HESDFZFVOCMKDD-LURJTMIESA-N -2 0 314.392 1.477 20 0 DDADRL CN(CCCC(=O)[N-]S(=O)(=O)CC1CCCCC1)C(=O)[O-] ZINC000737427385 599912646 /nfs/dbraw/zinc/91/26/46/599912646.db2.gz RGMMHMJGQIHGGY-UHFFFAOYSA-N -2 0 320.411 1.403 20 0 DDADRL CC/C=C(\C)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736948569 599912746 /nfs/dbraw/zinc/91/27/46/599912746.db2.gz NFYYTHNXISCNOB-ONNFQVAWSA-N -2 0 311.359 1.687 20 0 DDADRL CN(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccnn2C)cc1 ZINC000737335029 600097596 /nfs/dbraw/zinc/09/75/96/600097596.db2.gz BAMDAIWZKRMVLT-UHFFFAOYSA-N -2 0 310.335 1.335 20 0 DDADRL COc1cccnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000738126643 600103637 /nfs/dbraw/zinc/10/36/37/600103637.db2.gz KNDVPNLGSOFHIS-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL O=C([O-])[C@@H]1CC12CCN(C(=O)c1c([O-])cc(F)cc1F)CC2 ZINC000739528768 600319881 /nfs/dbraw/zinc/31/98/81/600319881.db2.gz XGZXXDXFOUFYQR-VIFPVBQESA-N -2 0 311.284 1.997 20 0 DDADRL O=C([O-])CCSCc1cccc(NC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000739754651 600363144 /nfs/dbraw/zinc/36/31/44/600363144.db2.gz WIMFBLLJHDNUFJ-UHFFFAOYSA-N -2 0 321.358 1.209 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1C(=O)[O-] ZINC000037311039 600672068 /nfs/dbraw/zinc/67/20/68/600672068.db2.gz NSQRBKWLGLEHKE-UHFFFAOYSA-N -2 0 312.303 1.491 20 0 DDADRL O=C(/C=C\C1CC1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833092929 600941521 /nfs/dbraw/zinc/94/15/21/600941521.db2.gz PIRDUEJDBSUQHI-HYXAFXHYSA-N -2 0 301.345 1.217 20 0 DDADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)CC2CCC2)cc1 ZINC000833093887 600943909 /nfs/dbraw/zinc/94/39/09/600943909.db2.gz LLUJZWSLYIOFQP-UHFFFAOYSA-N -2 0 311.359 1.521 20 0 DDADRL Cc1nn(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1C ZINC000832903517 600979014 /nfs/dbraw/zinc/97/90/14/600979014.db2.gz LVIQDWHIBOWOIX-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)nc1 ZINC000832419124 600985730 /nfs/dbraw/zinc/98/57/30/600985730.db2.gz BKJWUTIBAXAGSJ-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL Cc1ncc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cn1 ZINC000384193128 601330053 /nfs/dbraw/zinc/33/00/53/601330053.db2.gz IBXCWRGNGNEVDW-DAXSKMNVSA-N -2 0 319.342 1.684 20 0 DDADRL O=C([O-])c1ccc(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cn1 ZINC000833124118 601755724 /nfs/dbraw/zinc/75/57/24/601755724.db2.gz LBNGRGOSRPPBHE-GFCCVEGCSA-N -2 0 306.318 1.543 20 0 DDADRL O=C([O-])N[C@@H](Cc1ccccc1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000740690491 601948448 /nfs/dbraw/zinc/94/84/48/601948448.db2.gz MOEDKKMAZISNIF-STQMWFEESA-N -2 0 308.334 1.440 20 0 DDADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000827303274 602178095 /nfs/dbraw/zinc/17/80/95/602178095.db2.gz CRUAYVRMUKDHFT-JTQLQIEISA-N -2 0 321.354 1.756 20 0 DDADRL O=C([O-])Nc1ccc(C(=O)NC2(c3nnn[n-]3)CCCC2)cc1 ZINC000738661116 603227642 /nfs/dbraw/zinc/22/76/42/603227642.db2.gz JGKCRZULBSDAHN-UHFFFAOYSA-N -2 0 316.321 1.489 20 0 DDADRL O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)c1c([O-])cc(F)cc1F ZINC000832482482 603909970 /nfs/dbraw/zinc/90/99/70/603909970.db2.gz OBLBXZGGSLVGJR-XVKPBYJWSA-N -2 0 314.288 1.837 20 0 DDADRL C[C@H](CN(C)C(=O)[O-])C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000824869026 604255278 /nfs/dbraw/zinc/25/52/78/604255278.db2.gz TZHSAKIGTIBADU-SECBINFHSA-N -2 0 306.384 1.011 20 0 DDADRL C[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2[O-])C[C@@H]1C(=O)[O-] ZINC000828387828 604311061 /nfs/dbraw/zinc/31/10/61/604311061.db2.gz SRZWQAYZUFPNAB-MUWHJKNJSA-N -2 0 301.701 1.977 20 0 DDADRL O=C([O-])c1cn(CC(=O)[N-]OCC(F)(F)F)c2ccccc12 ZINC000833119390 604428383 /nfs/dbraw/zinc/42/83/83/604428383.db2.gz CAAXSPLVHYYHFF-UHFFFAOYSA-N -2 0 316.235 1.950 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)o1 ZINC000833323529 604800527 /nfs/dbraw/zinc/80/05/27/604800527.db2.gz LWBVISAVJSOSOA-UHFFFAOYSA-N -2 0 301.251 1.623 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])nn1C ZINC000302321937 604926716 /nfs/dbraw/zinc/92/67/16/604926716.db2.gz QBVLINAOIAQPSS-UHFFFAOYSA-N -2 0 301.349 1.289 20 0 DDADRL O=C([O-])[C@H]1CN(C(=O)c2cc(F)cc(Cl)c2[O-])CCO1 ZINC000819319703 604996121 /nfs/dbraw/zinc/99/61/21/604996121.db2.gz ASQACKIONXFASJ-SECBINFHSA-N -2 0 303.673 1.110 20 0 DDADRL O=C([O-])C1CCC(C(=O)[N-]S(=O)(=O)c2ccsc2)CC1 ZINC000833771955 605120740 /nfs/dbraw/zinc/12/07/40/605120740.db2.gz ABHSESGWHJLCSF-UHFFFAOYSA-N -2 0 317.388 1.444 20 0 DDADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cnn(C)c1 ZINC000833742013 605128266 /nfs/dbraw/zinc/12/82/66/605128266.db2.gz ZWMLRQBMGOAMLE-UHFFFAOYSA-N -2 0 301.349 1.289 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c(C)n1 ZINC000833733099 605183927 /nfs/dbraw/zinc/18/39/27/605183927.db2.gz FTWWRFHMJCIGGR-UHFFFAOYSA-N -2 0 312.303 1.491 20 0 DDADRL O=C([O-])N1CC(OCCC(=O)Nc2cccc(Cl)c2[O-])C1 ZINC000833992321 605316447 /nfs/dbraw/zinc/31/64/47/605316447.db2.gz ADYXQJIQCXXMDI-UHFFFAOYSA-N -2 0 314.725 1.753 20 0 DDADRL O=C([O-])C[C@H](NC(=O)[C@H]1CCN(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000834060900 606031388 /nfs/dbraw/zinc/03/13/88/606031388.db2.gz MIURRVJMUREYOP-JQWIXIFHSA-N -2 0 324.308 1.458 20 0 DDADRL O=C([O-])NC1(C(=O)N2CCc3cc(C(=O)[O-])ccc32)CCCC1 ZINC000834152782 606035074 /nfs/dbraw/zinc/03/50/74/606035074.db2.gz XDFGPVCFELHRGM-UHFFFAOYSA-N -2 0 318.329 1.854 20 0 DDADRL O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)CNC(=O)[O-] ZINC000834065575 606047813 /nfs/dbraw/zinc/04/78/13/606047813.db2.gz NALVQIVFZJJVQE-UHFFFAOYSA-N -2 0 300.698 1.021 20 0 DDADRL O=C([O-])CCc1ccc(NC(=O)[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000834059682 606063227 /nfs/dbraw/zinc/06/32/27/606063227.db2.gz KASVNRHPXCLFHX-NSHDSACASA-N -2 0 306.318 1.642 20 0 DDADRL O=C([O-])N[C@H](CC(=O)N1CC[C@](F)(C(=O)[O-])C1)c1ccccc1 ZINC000834119213 606067107 /nfs/dbraw/zinc/06/71/07/606067107.db2.gz BAFKXNAADNACMB-IAQYHMDHSA-N -2 0 324.308 1.411 20 0 DDADRL CC1(C)C[C@H]1C(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000161707911 697325070 /nfs/dbraw/zinc/32/50/70/697325070.db2.gz DLJYVIGHKGBKDM-NSHDSACASA-N -2 0 314.345 1.385 20 0 DDADRL O=C([O-])[C@@H]1[C@H](CNC(=O)c2ccc([O-])c(Cl)c2)C1(F)F ZINC000715251236 699274679 /nfs/dbraw/zinc/27/46/79/699274679.db2.gz ZLBJBBPVUQIZFD-RCOVLWMOSA-N -2 0 305.664 1.741 20 0 DDADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnoc1 ZINC000793385494 699753352 /nfs/dbraw/zinc/75/33/52/699753352.db2.gz OCMDVSGLWIZETA-UHFFFAOYSA-N -2 0 300.267 1.621 20 0 DDADRL Cc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000752861032 700392535 /nfs/dbraw/zinc/39/25/35/700392535.db2.gz VBJPYCHCIDOYHH-UHFFFAOYSA-N -2 0 300.267 1.621 20 0 DDADRL Cc1ccc(-c2nc(C(=O)[N-]n3c(=O)[n-][nH]c3=O)cs2)cc1 ZINC000816733793 702168914 /nfs/dbraw/zinc/16/89/14/702168914.db2.gz MAZHLLYVQINHID-UHFFFAOYSA-N -2 0 317.330 1.505 20 0 DDADRL O=C([O-])[C@H](CCCc1ccccc1)NS(=O)(=O)C(F)F ZINC000817419442 702376225 /nfs/dbraw/zinc/37/62/25/702376225.db2.gz AMQJIWRLZHWWEM-JTQLQIEISA-N -2 0 307.318 1.605 20 0 DDADRL C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1nnc2ccccc2c1O ZINC000846712365 703322768 /nfs/dbraw/zinc/32/27/68/703322768.db2.gz HTYDQJIVJWNJSM-LDYMZIIASA-N -2 0 301.302 1.413 20 0 DDADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000863953828 706045520 /nfs/dbraw/zinc/04/55/20/706045520.db2.gz AECLCLCYESJPPJ-UHFFFAOYSA-N -2 0 305.396 1.656 20 0 DDADRL CCc1ccccc1S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-] ZINC000863960426 706046855 /nfs/dbraw/zinc/04/68/55/706046855.db2.gz PEDVWIWEDPUQMA-UHFFFAOYSA-N -2 0 313.375 1.699 20 0 DDADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)cc1 ZINC000863964050 706047465 /nfs/dbraw/zinc/04/74/65/706047465.db2.gz MQDOGYLKELFEPK-ICCXJUOJSA-N -2 0 323.370 1.633 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@@H]1CC2CCC1CC2 ZINC000863963645 706047531 /nfs/dbraw/zinc/04/75/31/706047531.db2.gz CTTFEKWPAHBLOI-HCWSGVFWSA-N -2 0 317.407 1.368 20 0 DDADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000863964613 706047774 /nfs/dbraw/zinc/04/77/74/706047774.db2.gz XTOKKVSALZZHLV-LMLFDSFASA-N -2 0 317.407 1.368 20 0 DDADRL CC(C)=CC[C@@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000864449391 706172822 /nfs/dbraw/zinc/17/28/22/706172822.db2.gz JKIWODVJUVABDT-JGVFFNPUSA-N -2 0 303.302 1.666 20 0 DDADRL O=C([O-])[C@@]1(NC(=O)c2cc(F)c([O-])c(Cl)c2)CCSC1 ZINC000909359842 713000220 /nfs/dbraw/zinc/00/02/20/713000220.db2.gz YEFZSXDZZXSJTG-GFCCVEGCSA-N -2 0 319.741 1.875 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CSc2ccccc2)C1 ZINC000910186591 709802540 /nfs/dbraw/zinc/80/25/40/709802540.db2.gz SANOHICSAHWDSD-ZYHUDNBSSA-N -2 0 323.370 1.555 20 0 DDADRL CC1CCC(=CC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])CC1 ZINC000910188971 709803967 /nfs/dbraw/zinc/80/39/67/709803967.db2.gz NXQKHUDLZRFDFL-HEVMSJOKSA-N -2 0 309.362 1.899 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCCc1ccccc1 ZINC000910189242 709804322 /nfs/dbraw/zinc/80/43/22/709804322.db2.gz RKAJDGNGYKTFOK-UONOGXRCSA-N -2 0 319.357 1.786 20 0 DDADRL Cc1ccc(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1C ZINC000910192180 709805837 /nfs/dbraw/zinc/80/58/37/709805837.db2.gz OVXIXQWIIXMPOH-KBPBESRZSA-N -2 0 319.357 1.622 20 0 DDADRL O=C([O-])[C@H](CC1CCOCC1)NC(=O)c1ccc(O)c(F)c1 ZINC000910454880 709951461 /nfs/dbraw/zinc/95/14/61/709951461.db2.gz WACQMRVMIVBJAB-LBPRGKRZSA-N -2 0 311.309 1.531 20 0 DDADRL C[C@@H]1CN(C(=O)C2(C(=O)[O-])CCSCC2)CC[C@@H]1C(=O)[O-] ZINC000902178947 710650388 /nfs/dbraw/zinc/65/03/88/710650388.db2.gz NGWAACXJLXPBTQ-ZJUUUORDSA-N -2 0 315.391 1.154 20 0 DDADRL CC(C)N(CC1CC1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906820813 712417747 /nfs/dbraw/zinc/41/77/47/712417747.db2.gz KPROOBBNKYDCQE-UHFFFAOYSA-N -2 0 313.375 1.900 20 0 DDADRL CC[C@H](C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906863675 712424203 /nfs/dbraw/zinc/42/42/03/712424203.db2.gz TUASFERDQWAGST-VIFPVBQESA-N -2 0 301.364 1.757 20 0 DDADRL O=C([O-])[C@]1(C(=O)[N-]OC[C@@H]2CCOC2)C[C@H]1c1ccccc1 ZINC000907851636 712635817 /nfs/dbraw/zinc/63/58/17/712635817.db2.gz UBZGBRFYHFXZNJ-PVXIVEMSSA-N -2 0 305.330 1.329 20 0 DDADRL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1occc1Br ZINC000926452251 715068510 /nfs/dbraw/zinc/06/85/10/715068510.db2.gz CKLRZGGITKJYLQ-YFKPBYRVSA-N -2 0 312.141 1.184 20 0 DDADRL O=C([O-])Cc1c[nH]c2cc(Cl)c(N[C@@H]3CO[N-]C3=O)cc12 ZINC001167522667 734659991 /nfs/dbraw/zinc/65/99/91/734659991.db2.gz NGNMYDMNHAUNEB-LLVKDONJSA-N -2 0 309.709 1.290 20 0 DDADRL O=C(CCc1ccccc1)C(=O)NCCCC[P@](=O)([O-])O ZINC001180967661 743003671 /nfs/dbraw/zinc/00/36/71/743003671.db2.gz GGTHBHYYMMUXIX-UHFFFAOYSA-N -2 0 313.290 1.262 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2cscn2)cc1C(=O)[O-] ZINC001185269325 744194848 /nfs/dbraw/zinc/19/48/48/744194848.db2.gz JIFSBXRZIZIDFZ-UHFFFAOYSA-N -2 0 314.344 1.651 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)nn1 ZINC001185869299 744303449 /nfs/dbraw/zinc/30/34/49/744303449.db2.gz WWYWPOSIBGBFDI-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL COc1ccccc1[C@H](C)C(=O)NCCOP(=O)([O-])[O-] ZINC001187687946 744591484 /nfs/dbraw/zinc/59/14/84/744591484.db2.gz XQJSLHKBICLQAM-VIFPVBQESA-N -2 0 303.251 1.024 20 0 DDADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccncn2)cc1 ZINC001192106574 745692247 /nfs/dbraw/zinc/69/22/47/745692247.db2.gz JJFIIVSVUGSZKN-UHFFFAOYSA-N -2 0 307.331 1.295 20 0 DDADRL Cc1ncc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)n1C ZINC001192116176 745693785 /nfs/dbraw/zinc/69/37/85/745693785.db2.gz KUSCFJXBZDTVAS-UHFFFAOYSA-N -2 0 323.374 1.547 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cscn2)c(F)cc1F ZINC001195194332 746547166 /nfs/dbraw/zinc/54/71/66/746547166.db2.gz FVRABQJCQYYPBH-UHFFFAOYSA-N -2 0 320.298 1.920 20 0 DDADRL CSc1ccc(NC(=S)NCCOP(=O)([O-])[O-])cc1 ZINC001201190135 748430592 /nfs/dbraw/zinc/43/05/92/748430592.db2.gz DHRFCJGNAZBABJ-UHFFFAOYSA-N -2 0 322.348 1.804 20 0 DDADRL Cc1nc2ccc(NCCOP(=O)([O-])[O-])nc2n1C(C)C ZINC001168587933 751189176 /nfs/dbraw/zinc/18/91/76/751189176.db2.gz VZZWCUBHKZFTLK-UHFFFAOYSA-N -2 0 314.282 1.842 20 0 DDADRL CC1(C)Cc2c(NCCOP(=O)([O-])[O-])cccc2NC1=O ZINC001168595881 751269394 /nfs/dbraw/zinc/26/93/94/751269394.db2.gz PGEYFVSIXCCOQK-UHFFFAOYSA-N -2 0 314.278 1.729 20 0 DDADRL Cc1c(NCCOP(=O)([O-])[O-])cncc1-c1ccncc1 ZINC001168596748 751274624 /nfs/dbraw/zinc/27/46/24/751274624.db2.gz ZJVAXMWEEYNBRF-UHFFFAOYSA-N -2 0 309.262 1.973 20 0 DDADRL CC(C)(C)c1ccc(CC(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001144868796 772655103 /nfs/dbraw/zinc/65/51/03/772655103.db2.gz HGMQUUYEIQIPGD-UHFFFAOYSA-N -2 0 315.306 1.752 20 0 DDADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(Nc2ccoc2)c1 ZINC001173934835 777376152 /nfs/dbraw/zinc/37/61/52/777376152.db2.gz FQMALBQLABVDMC-UHFFFAOYSA-N -2 0 319.316 1.517 20 0 DDADRL COC(=O)c1cnc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001176236472 778087752 /nfs/dbraw/zinc/08/77/52/778087752.db2.gz MWZKHPDUTKJNOK-UHFFFAOYSA-N -2 0 317.257 1.403 20 0 DDADRL CCOC(=O)c1ccc(N)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237747 778088758 /nfs/dbraw/zinc/08/87/58/778088758.db2.gz ADKXFHPSWDKYPL-UHFFFAOYSA-N -2 0 318.285 1.633 20 0 DDADRL Cc1cnn(C2COC2)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237433 778089175 /nfs/dbraw/zinc/08/91/75/778089175.db2.gz HLUGGYQMKORWMK-UHFFFAOYSA-N -2 0 317.301 1.903 20 0 DDADRL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-]Cc1cnc(Cl)cn1 ZINC001180180573 779638849 /nfs/dbraw/zinc/63/88/49/779638849.db2.gz RIAMYEBGJGWPHV-UHFFFAOYSA-N -2 0 315.610 1.101 20 0 DDADRL Cc1cc2cccnc2c(C(=O)NCCOP(=O)([O-])[O-])c1 ZINC001154202343 860867108 /nfs/dbraw/zinc/86/71/08/860867108.db2.gz NMNWDVYETAHUGB-UHFFFAOYSA-N -2 0 310.246 1.382 20 0 DDADRL Cc1ccc(C)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1C ZINC001225804027 882038081 /nfs/dbraw/zinc/03/80/81/882038081.db2.gz MIVVNMVBJANBOR-PWSUYJOCSA-N -2 0 310.302 1.054 20 0 DDADRL O=C([O-])C[C@@H](C(=O)Oc1ccc2c(c1)CCCC2)[C@@H](O)C(=O)[O-] ZINC001226760888 882636417 /nfs/dbraw/zinc/63/64/17/882636417.db2.gz OYKBLINJGUSHML-TZMCWYRMSA-N -2 0 322.313 1.007 20 0 DDADRL CCCc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001227180024 882896422 /nfs/dbraw/zinc/89/64/22/882896422.db2.gz DECMTULZZFTMLV-YPMHNXCESA-N -2 0 310.302 1.081 20 0 DDADRL CC[C@H](C)c1ccccc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001227762180 883161186 /nfs/dbraw/zinc/16/11/86/883161186.db2.gz ZROYCEREUPJZGO-GXSJLCMTSA-N -2 0 318.262 1.576 20 0 DDADRL Cc1cc(C)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(C)c1 ZINC001228407435 883482844 /nfs/dbraw/zinc/48/28/44/883482844.db2.gz LPIRSCYPKFMIMQ-CMPLNLGQSA-N -2 0 310.302 1.054 20 0 DDADRL COC(=O)[C@@H]1CC[C@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234331958 887868232 /nfs/dbraw/zinc/86/82/32/887868232.db2.gz LVWNMBVMNRQDCH-SKDRFNHKSA-N -2 0 316.246 1.879 20 0 DDADRL CCOC(=O)[C@H](CC)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234332223 887869915 /nfs/dbraw/zinc/86/99/15/887869915.db2.gz NLZUZKXNTYITTP-NSHDSACASA-N -2 0 304.235 1.879 20 0 DDADRL CCOC(=O)c1cnc(NC(=O)c2cc(F)cc(F)c2[O-])[n-]1 ZINC001364085304 887880383 /nfs/dbraw/zinc/88/03/83/887880383.db2.gz PYDQBSGHPSYYGP-UHFFFAOYSA-N -2 0 311.244 1.823 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cncc(-n3ccnc3)n2)c1 ZINC001242159135 891353904 /nfs/dbraw/zinc/35/39/04/891353904.db2.gz IAKKHTVMGBGVMS-UHFFFAOYSA-N -2 0 310.269 1.726 20 0 DDADRL COc1nc(C)cnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260222071 899096056 /nfs/dbraw/zinc/09/60/56/899096056.db2.gz JZSZRMCYJBUEAS-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000133154493 354107803 /nfs/dbraw/zinc/10/78/03/354107803.db2.gz RVHDCHLFNOJIKW-RITPCOANSA-N -2 0 311.281 1.491 20 0 DDADRL CCc1ccc(O)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000347757056 283271676 /nfs/dbraw/zinc/27/16/76/283271676.db2.gz RQQVYVBUWKAXHO-UHFFFAOYSA-N -2 0 310.331 1.782 20 0 DDADRL COC(=O)Cc1c(C)[n-]n(-c2ccc(CC(=O)[O-])cc2)c1=O ZINC000601950956 358750381 /nfs/dbraw/zinc/75/03/81/358750381.db2.gz WDWPKYXVJRERJD-LBPRGKRZSA-N -2 0 304.302 1.216 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cn1C ZINC000110988114 194377553 /nfs/dbraw/zinc/37/75/53/194377553.db2.gz AJRMAEUHUTZUJV-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CC(C)Cn1cnc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC000274955141 408573107 /nfs/dbraw/zinc/57/31/07/408573107.db2.gz UBYXDZDKMQLBEN-LLVKDONJSA-N -2 0 317.411 1.317 20 0 DDADRL CCc1oncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000337875417 409529515 /nfs/dbraw/zinc/52/95/15/409529515.db2.gz UHQNYSLFVUWKNW-UHFFFAOYSA-N -2 0 314.294 1.875 20 0 DDADRL CSc1nc(=NC(=O)NCCCCCC(=O)[O-])s[n-]1 ZINC000417761940 225427922 /nfs/dbraw/zinc/42/79/22/225427922.db2.gz KWRKTDYVEDODQL-UHFFFAOYSA-N -2 0 304.397 1.448 20 0 DDADRL CCSc1n[n-]c(=NC(=O)N(C)C[C@@H](C)C(=O)[O-])s1 ZINC000417728504 420461049 /nfs/dbraw/zinc/46/10/49/420461049.db2.gz MOKPGZRBQXETBH-ZCFIWIBFSA-N -2 0 304.397 1.256 20 0 DDADRL CCSc1n[n-]c(=NC(=O)N2CC[C@H](C(=O)[O-])C2)s1 ZINC000417730307 420461953 /nfs/dbraw/zinc/46/19/53/420461953.db2.gz NZDCWMHDXIJVLS-LURJTMIESA-N -2 0 302.381 1.010 20 0 DDADRL O=C([O-])CCCCCNC(=O)N=c1ncn(C2CCCCC2)[n-]1 ZINC000417788411 420479189 /nfs/dbraw/zinc/47/91/89/420479189.db2.gz LYXLNOFWBUCOSD-UHFFFAOYSA-N -2 0 323.397 1.972 20 0 DDADRL O=C(C=Cc1cncc(O)c1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000492522252 420583063 /nfs/dbraw/zinc/58/30/63/420583063.db2.gz SSFWSPKAEMCLIV-UTCJRWHESA-N -2 0 322.328 1.297 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]CC1(C(=O)[O-])CCCC1 ZINC000548540728 421449214 /nfs/dbraw/zinc/44/92/14/421449214.db2.gz BSIYKOVELLRORR-SSDOTTSWSA-N -2 0 303.302 1.502 20 0 DDADRL CC(C)(C)CCCS(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000517034142 421591934 /nfs/dbraw/zinc/59/19/34/421591934.db2.gz TUWFAFGMTXXYDO-ZDUSSCGKSA-N -2 0 323.411 1.298 20 0 DDADRL C[C@@H]1CN(C(=O)N=c2ccc(C3CC3)n[n-]2)CC[C@@H]1C(=O)[O-] ZINC000630563928 422183091 /nfs/dbraw/zinc/18/30/91/422183091.db2.gz SQLCNPMDXQWAIM-KOLCDFICSA-N -2 0 304.350 1.350 20 0 DDADRL CC(C)C[C@H](CNC(=O)NC[C@@H](C(=O)[O-])C(C)C)CC(=O)[O-] ZINC000659415371 423820733 /nfs/dbraw/zinc/82/07/33/423820733.db2.gz ZBBXOYSZAXTGOV-NWDGAFQWSA-N -2 0 316.398 1.779 20 0 DDADRL Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000124656759 281192993 /nfs/dbraw/zinc/19/29/93/281192993.db2.gz CBFACQHKTOZZNR-UHFFFAOYSA-N -2 0 312.303 1.496 20 0 DDADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)Cc1ccon1 ZINC000548524651 307774961 /nfs/dbraw/zinc/77/49/61/307774961.db2.gz ZBDBGZTWFWCKSH-UHFFFAOYSA-N -2 0 312.303 1.323 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)C1 ZINC000663028346 484609837 /nfs/dbraw/zinc/60/98/37/484609837.db2.gz RQLYMDMWUJBDKE-FZMZJTMJSA-N -2 0 311.378 1.981 20 0 DDADRL C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000663057461 484633303 /nfs/dbraw/zinc/63/33/03/484633303.db2.gz RSZWBEHFUXFDDS-ZYHUDNBSSA-N -2 0 321.329 1.475 20 0 DDADRL O=C([O-])C1(CNC(=O)c2nn(-c3ccccc3)cc2[O-])CCC1 ZINC000663142368 484700081 /nfs/dbraw/zinc/70/00/81/484700081.db2.gz YXBCQURIZSDPGH-UHFFFAOYSA-N -2 0 315.329 1.563 20 0 DDADRL CCC(CC)(CNC(=O)N=c1ccc(OC(C)C)n[n-]1)C(=O)[O-] ZINC000424386531 528672225 /nfs/dbraw/zinc/67/22/25/528672225.db2.gz HPMQTIVYAPUTLR-UHFFFAOYSA-N -2 0 324.381 1.698 20 0 DDADRL C[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(Br)c1[O-] ZINC000817762789 597469419 /nfs/dbraw/zinc/46/94/19/597469419.db2.gz YSKKKMOPUKKAFO-LURJTMIESA-N -2 0 302.124 1.700 20 0 DDADRL CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000737049803 599727773 /nfs/dbraw/zinc/72/77/73/599727773.db2.gz DSTIYUGRAQCMNM-NWDGAFQWSA-N -2 0 311.359 1.165 20 0 DDADRL CCc1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n1 ZINC000737274243 599802444 /nfs/dbraw/zinc/80/24/44/599802444.db2.gz FREZDXCSKODNSD-UHFFFAOYSA-N -2 0 302.333 1.798 20 0 DDADRL O=C([O-])c1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccs2)cn1 ZINC000739371917 599841280 /nfs/dbraw/zinc/84/12/80/599841280.db2.gz NVBRAQYNKJEOQW-SNVBAGLBSA-N -2 0 306.299 1.397 20 0 DDADRL COc1cc(C=CC(=O)[O-])ccc1OS(=O)(=O)c1cnc[n-]1 ZINC000737879035 600401409 /nfs/dbraw/zinc/40/14/09/600401409.db2.gz OEYYDXMRFBWWGJ-HYXAFXHYSA-N -2 0 324.314 1.284 20 0 DDADRL Cc1[nH]c2ccccc2c1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000738246425 600460222 /nfs/dbraw/zinc/46/02/22/600460222.db2.gz FTUXFAHPLMSKHO-UHFFFAOYSA-N -2 0 324.358 1.401 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nccn3c2)o1 ZINC000740187779 600513405 /nfs/dbraw/zinc/51/34/05/600513405.db2.gz VKCKOMAXAIOVQW-UHFFFAOYSA-N -2 0 307.287 1.426 20 0 DDADRL O=C([O-])Cc1nc([N-]C(=O)c2cc(-c3ccccc3)no2)n[nH]1 ZINC000739908386 600534161 /nfs/dbraw/zinc/53/41/61/600534161.db2.gz BGGHWGGYQZIZLJ-UHFFFAOYSA-N -2 0 313.273 1.339 20 0 DDADRL CCC1(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CC1 ZINC000829033016 601142103 /nfs/dbraw/zinc/14/21/03/601142103.db2.gz GKMLRJXSEXNVKE-UHFFFAOYSA-N -2 0 303.361 1.441 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C2CC2)s1 ZINC000833324547 601364376 /nfs/dbraw/zinc/36/43/76/601364376.db2.gz GOXYVPVYALYGHT-SFYZADRCSA-N -2 0 315.372 1.297 20 0 DDADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000833346737 601603410 /nfs/dbraw/zinc/60/34/10/601603410.db2.gz ORMUQEQQNGXGSO-UHFFFAOYSA-N -2 0 320.298 1.920 20 0 DDADRL O=C([O-])[C@@]1(F)CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000833356754 601759887 /nfs/dbraw/zinc/75/98/87/601759887.db2.gz NGJHYRDFEFZMPT-OAHLLOKOSA-N -2 0 319.292 1.217 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000832419503 601830472 /nfs/dbraw/zinc/83/04/72/601830472.db2.gz IQCHUPIIHDLRDB-UHFFFAOYSA-N -2 0 314.344 1.651 20 0 DDADRL COc1ccsc1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)c1 ZINC000832643020 602114681 /nfs/dbraw/zinc/11/46/81/602114681.db2.gz OEGHGSZDEZHECG-UHFFFAOYSA-N -2 0 316.360 1.594 20 0 DDADRL Cc1noc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1C ZINC000833022416 602212732 /nfs/dbraw/zinc/21/27/32/602212732.db2.gz MUBOAZGOXVNBMO-UHFFFAOYSA-N -2 0 314.294 1.930 20 0 DDADRL Cn1ccc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)n1 ZINC000740292105 602654724 /nfs/dbraw/zinc/65/47/24/602654724.db2.gz GIEIHCAEZQGFBY-UHFFFAOYSA-N -2 0 314.298 1.450 20 0 DDADRL CC(C)(CNC(=O)[O-])NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000738751639 603191244 /nfs/dbraw/zinc/19/12/44/603191244.db2.gz JCTFFBGPDMTIIL-UHFFFAOYSA-N -2 0 309.347 1.893 20 0 DDADRL O=C([O-])Nc1cc(C(=O)[N-]S(=O)(=O)CCCF)ccc1F ZINC000832820672 603439295 /nfs/dbraw/zinc/43/92/95/603439295.db2.gz KJUDTQCHGQOEJC-UHFFFAOYSA-N -2 0 322.289 1.335 20 0 DDADRL CCCS(=O)(=O)[N-]C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000826945200 604157777 /nfs/dbraw/zinc/15/77/77/604157777.db2.gz VLLPZPQIANDVFC-FGWVZKOKSA-N -2 0 318.395 1.154 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000826575879 604188249 /nfs/dbraw/zinc/18/82/49/604188249.db2.gz NGGXHRRPVLMSQJ-LBPRGKRZSA-N -2 0 306.384 1.011 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000736964494 604376111 /nfs/dbraw/zinc/37/61/11/604376111.db2.gz GOYLHZJYBGKSPB-UWVGGRQHSA-N -2 0 308.400 1.161 20 0 DDADRL O=C([O-])[C@H]1CCCN1C(=O)c1cccc(Br)c1[O-] ZINC000821509873 604700646 /nfs/dbraw/zinc/70/06/46/604700646.db2.gz ZZQAFTVMGSIOIP-SECBINFHSA-N -2 0 314.135 1.844 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2scc(C(=O)[O-])c2C)cn1C ZINC000833741585 605124930 /nfs/dbraw/zinc/12/49/30/605124930.db2.gz SGXXVTRGPMVEBV-UHFFFAOYSA-N -2 0 315.376 1.597 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)NCCc2cccc(C(=O)[O-])c2)C1 ZINC000834168946 605308106 /nfs/dbraw/zinc/30/81/06/605308106.db2.gz JNHOVLBYHWDUMI-DGCLKSJQSA-N -2 0 320.345 1.480 20 0 DDADRL O=C([O-])CC[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000834060628 605310575 /nfs/dbraw/zinc/31/05/75/605310575.db2.gz TZNURFYVHBLKTD-NEPJUHHUSA-N -2 0 312.366 1.480 20 0 DDADRL O=C([O-])N1CCc2ccccc2[C@H]1C(=O)[N-]O[C@H]1CCCCO1 ZINC000831742729 605682490 /nfs/dbraw/zinc/68/24/90/605682490.db2.gz OYQAUSJFYNJVGG-KBPBESRZSA-N -2 0 320.345 1.838 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000834067241 605689989 /nfs/dbraw/zinc/68/99/89/605689989.db2.gz YCFRENQXEQKCRF-JTQLQIEISA-N -2 0 322.317 1.479 20 0 DDADRL O=C([O-])N[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1F)C1CC1 ZINC000834149799 605806160 /nfs/dbraw/zinc/80/61/60/605806160.db2.gz IMVIZRRUCRPBDI-JTQLQIEISA-N -2 0 320.317 1.289 20 0 DDADRL O=C([O-])NCCCCC(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000834234222 605909808 /nfs/dbraw/zinc/90/98/08/605909808.db2.gz MZFXIVPWAJSIJR-UHFFFAOYSA-N -2 0 306.384 1.203 20 0 DDADRL Cc1ccc(NC(=O)[O-])cc1NC(=O)c1cnc([O-])n(C)c1=O ZINC000833906124 606005326 /nfs/dbraw/zinc/00/53/26/606005326.db2.gz JSSBFROAXMYBEA-UHFFFAOYSA-N -2 0 318.289 1.137 20 0 DDADRL O=C([O-])NC1(CC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)CCC1 ZINC000834156030 606031666 /nfs/dbraw/zinc/03/16/66/606031666.db2.gz UKAFIBNWCKLWFL-WOPDTQHZSA-N -2 0 324.377 1.811 20 0 DDADRL C[C@@H]1[C@H](C)N(Cc2nc(=O)c3sccc3[n-]2)CCN1C(=O)[O-] ZINC000833829236 606044853 /nfs/dbraw/zinc/04/48/53/606044853.db2.gz RBSLEYASBCPRRT-DTWKUNHWSA-N -2 0 322.390 1.970 20 0 DDADRL CCN(CCC(=O)[O-])C(=O)C1(NC(=O)[O-])Cc2ccccc2C1 ZINC000833857202 606045741 /nfs/dbraw/zinc/04/57/41/606045741.db2.gz GNTWBHGDJGQRAW-UHFFFAOYSA-N -2 0 320.345 1.115 20 0 DDADRL CCN(CCC(=O)[O-])C(=O)[C@@H](CNC(=O)[O-])c1ccccc1 ZINC000833857650 606047109 /nfs/dbraw/zinc/04/71/09/606047109.db2.gz PWMYJCWXRVFLLD-LBPRGKRZSA-N -2 0 308.334 1.361 20 0 DDADRL O=C([O-])CSCCNC(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000834065311 606060640 /nfs/dbraw/zinc/06/06/40/606060640.db2.gz KDSULXZRPNXDRR-UHFFFAOYSA-N -2 0 312.347 1.002 20 0 DDADRL O=C([O-])NC[C@@H](C(=O)N1CC[C@@](F)(C(=O)[O-])C1)c1ccccc1 ZINC000834210479 606067043 /nfs/dbraw/zinc/06/70/43/606067043.db2.gz PXCRLCZIKLHALT-ABAIWWIYSA-N -2 0 324.308 1.063 20 0 DDADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccn(C)n2)cc1C(=O)[O-] ZINC000156276900 696960851 /nfs/dbraw/zinc/96/08/51/696960851.db2.gz VKDGTNJQFWIBDK-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL Cn1nc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000776425588 698105845 /nfs/dbraw/zinc/10/58/45/698105845.db2.gz CDYWAPSQPNYCQM-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)nn1C ZINC000314503283 698689702 /nfs/dbraw/zinc/68/97/02/698689702.db2.gz MRRVYRQZUQRECE-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL Cc1ccccc1S(=O)(=O)[N-]C(=O)CC(C)(C)NC(=O)[O-] ZINC000740189149 699786865 /nfs/dbraw/zinc/78/68/65/699786865.db2.gz AHVZXNPVYCBKEA-UHFFFAOYSA-N -2 0 314.363 1.236 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2cnn(C)c2C2CC2)cc1C(=O)[O-] ZINC000769869560 701259726 /nfs/dbraw/zinc/25/97/26/701259726.db2.gz QNTPZMLYRZWGJS-UHFFFAOYSA-N -2 0 324.362 1.135 20 0 DDADRL COc1ncncc1-c1ccc(C(=O)[O-])c(C2(C(=O)[O-])CC2)c1 ZINC000849477119 703652561 /nfs/dbraw/zinc/65/25/61/703652561.db2.gz KCLVAXVMMOGNBP-UHFFFAOYSA-N -2 0 314.297 1.967 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CC2)cc1C ZINC000863951711 706044566 /nfs/dbraw/zinc/04/45/66/706044566.db2.gz AMFMFBVIRDZGBO-GFCCVEGCSA-N -2 0 311.359 1.219 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cn1 ZINC000863955786 706046306 /nfs/dbraw/zinc/04/63/06/706046306.db2.gz YBZVZBUFYVPWIC-UHFFFAOYSA-N -2 0 300.336 1.028 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)sc1C ZINC000863956584 706046312 /nfs/dbraw/zinc/04/63/12/706046312.db2.gz BQFJOLPUWNWAJD-SNVBAGLBSA-N -2 0 319.404 1.527 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000863958834 706046559 /nfs/dbraw/zinc/04/65/59/706046559.db2.gz LGRULBBPZMVKFE-NSHDSACASA-N -2 0 317.338 1.129 20 0 DDADRL C[C@H](CN(C)C(=O)c1c(O)cnc2c(F)cccc21)C(=O)[O-] ZINC000909150094 712947458 /nfs/dbraw/zinc/94/74/58/712947458.db2.gz UJNNXLOYCWKUFP-MRVPVSSYSA-N -2 0 306.293 1.872 20 0 DDADRL Cc1ccccc1[C@H](C)C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910180965 709800183 /nfs/dbraw/zinc/80/01/83/709800183.db2.gz AKCIWJAUNBNTLV-SGMGOOAPSA-N -2 0 319.357 1.875 20 0 DDADRL Cc1cc(C)cc(CC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910184601 709801608 /nfs/dbraw/zinc/80/16/08/709801608.db2.gz UPDSPQOMDBOTKC-ZIAGYGMSSA-N -2 0 319.357 1.622 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1cccc(F)c1 ZINC000910186451 709802380 /nfs/dbraw/zinc/80/23/80/709802380.db2.gz RIEGBTKSJBTHBN-CMPLNLGQSA-N -2 0 309.293 1.145 20 0 DDADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000901654280 710109796 /nfs/dbraw/zinc/10/97/96/710109796.db2.gz ISESWKQVHSSUKZ-JQWIXIFHSA-N -2 0 305.330 1.497 20 0 DDADRL COc1ccccc1CONC(=O)CC1(C(=O)[O-])CCOCC1 ZINC000911804645 711002611 /nfs/dbraw/zinc/00/26/11/711002611.db2.gz GQKMYIZSLNDPGQ-UHFFFAOYSA-N -2 0 323.345 1.515 20 0 DDADRL O=C([O-])CCC[N-]S(=O)(=O)c1occc1Br ZINC000926450934 715068595 /nfs/dbraw/zinc/06/85/95/715068595.db2.gz FZRBZKQPROKQMC-UHFFFAOYSA-N -2 0 312.141 1.185 20 0 DDADRL CC[C@@H]([N-]S(=O)(=O)c1occc1Br)C(=O)[O-] ZINC000926452690 715068901 /nfs/dbraw/zinc/06/89/01/715068901.db2.gz GXVVETJCFPHUGC-ZCFIWIBFSA-N -2 0 312.141 1.184 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2nnccc2C)cc1C(=O)[O-] ZINC001184668727 744080897 /nfs/dbraw/zinc/08/08/97/744080897.db2.gz ZPTYFROQVNNXRQ-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2nccnc2C)cc1C(=O)[O-] ZINC001185271509 744195291 /nfs/dbraw/zinc/19/52/91/744195291.db2.gz QTPJQADJTQGABF-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL COc1ccc(Cl)cc1NC(=O)NCCOP(=O)([O-])[O-] ZINC001187936261 744637648 /nfs/dbraw/zinc/63/76/48/744637648.db2.gz KPXGHSXONJVUAH-UHFFFAOYSA-N -2 0 324.657 1.579 20 0 DDADRL COC(=O)CCCCS(=O)(=O)[N-]c1ncc(Cl)cc1[O-] ZINC001196915017 747009398 /nfs/dbraw/zinc/00/93/98/747009398.db2.gz QCJZHDCJAGNXOM-UHFFFAOYSA-N -2 0 322.770 1.526 20 0 DDADRL Cc1cc(NC(=S)NCCOP(=O)([O-])[O-])ccc1F ZINC001201043947 748405721 /nfs/dbraw/zinc/40/57/21/748405721.db2.gz WPIXVSGKMWCDKL-UHFFFAOYSA-N -2 0 308.271 1.530 20 0 DDADRL CCOc1nnc(NCCOP(=O)([O-])[O-])c2ccccc21 ZINC001168589086 751199818 /nfs/dbraw/zinc/19/98/18/751199818.db2.gz CQGSFHZJFMAODU-UHFFFAOYSA-N -2 0 313.250 1.550 20 0 DDADRL Cc1c(Cl)nc(C2CC2)nc1NCCOP(=O)([O-])[O-] ZINC001168589067 751200118 /nfs/dbraw/zinc/20/01/18/751200118.db2.gz CCOOKUXOFNQWAG-UHFFFAOYSA-N -2 0 307.674 1.837 20 0 DDADRL COc1cc(NCCOP(=O)([O-])[O-])ccc1NC(C)=O ZINC001168592505 751228180 /nfs/dbraw/zinc/22/81/80/751228180.db2.gz SBCBTSLYARHJNS-UHFFFAOYSA-N -2 0 304.239 1.175 20 0 DDADRL O=C(/C=C/c1cc2ccccc2o1)NCCOP(=O)([O-])[O-] ZINC001178760383 779164739 /nfs/dbraw/zinc/16/47/39/779164739.db2.gz BOUYYLPQOLCOSQ-AATRIKPKSA-N -2 0 311.230 1.672 20 0 DDADRL CC(=O)c1cccc(O)c1NC(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180176251 779634951 /nfs/dbraw/zinc/63/49/51/779634951.db2.gz SNUYHEKUFDYYMA-UHFFFAOYSA-N -2 0 323.198 1.889 20 0 DDADRL N=C([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])c1ccc(F)cn1 ZINC001180176806 779636775 /nfs/dbraw/zinc/63/67/75/779636775.db2.gz PAHWFNVNGRWSPY-UHFFFAOYSA-N -2 0 311.166 1.017 20 0 DDADRL O=P([O-])([O-])OCCNc1ncccc1C[NH+]1CCCC1 ZINC001157795677 864149369 /nfs/dbraw/zinc/14/93/69/864149369.db2.gz QAOJGKUMQPHYKE-UHFFFAOYSA-N -2 0 301.283 1.199 20 0 DDADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1N ZINC001210258521 875291250 /nfs/dbraw/zinc/29/12/50/875291250.db2.gz JCHNUVMOPQTPBH-UHFFFAOYSA-N -2 0 322.342 1.776 20 0 DDADRL Nc1ccccc1S(=O)(=O)[N-]c1cnc(F)c(C(=O)[O-])c1 ZINC001215113749 876569968 /nfs/dbraw/zinc/56/99/68/876569968.db2.gz OHOSCCPCIZPYQZ-UHFFFAOYSA-N -2 0 311.294 1.302 20 0 DDADRL CC(C)c1ccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001222118045 880267762 /nfs/dbraw/zinc/26/77/62/880267762.db2.gz RSLIUKXIJSXLMF-TZMCWYRMSA-N -2 0 324.329 1.390 20 0 DDADRL O=C(c1s[n-]c(=O)c1Cl)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001362687322 884414447 /nfs/dbraw/zinc/41/44/47/884414447.db2.gz KJCGFQYZPFYZRB-YFKPBYRVSA-N -2 0 314.758 1.035 20 0 DDADRL O=P([O-])([O-])c1ccc(-c2ccnc(N3CCOCC3)c2)cc1 ZINC001243903887 891754950 /nfs/dbraw/zinc/75/49/50/891754950.db2.gz YXGBKUZOEMOPRH-UHFFFAOYSA-N -2 0 320.285 1.388 20 0 DDADRL CC(C)c1ccc(S(=O)(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001255360073 896861323 /nfs/dbraw/zinc/86/13/23/896861323.db2.gz DKIIZYIWPGDKKM-UHFFFAOYSA-N -2 0 323.307 1.198 20 0 DDADRL CC(C)[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000087495569 185226670 /nfs/dbraw/zinc/22/66/70/185226670.db2.gz MVULQHJJDXUCHN-MRVPVSSYSA-N -2 0 307.318 1.600 20 0 DDADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000070415698 190886828 /nfs/dbraw/zinc/88/68/28/190886828.db2.gz IUEQOYLLCPOWCA-UHFFFAOYSA-N -2 0 303.246 1.187 20 0 DDADRL COC(=O)c1[n-]c(=N[C@H](Cc2ccncc2)C(=O)[O-])sc1C ZINC000594541159 356245570 /nfs/dbraw/zinc/24/55/70/356245570.db2.gz QEMMFLULKOZCSH-SNVBAGLBSA-N -2 0 321.358 1.163 20 0 DDADRL CCC(CC)(CNC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)C(=O)[O-] ZINC000626767888 367735205 /nfs/dbraw/zinc/73/52/05/367735205.db2.gz CBPZLNWMNRSHEE-MNOVXSKESA-N -2 0 314.382 1.630 20 0 DDADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000020003687 182176494 /nfs/dbraw/zinc/17/64/94/182176494.db2.gz RZZTXZHXOKKGME-UHFFFAOYSA-N -2 0 314.294 1.930 20 0 DDADRL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000006975209 248172435 /nfs/dbraw/zinc/17/24/35/248172435.db2.gz RESXTIPHNNEVDN-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CN(Cc1ccccc1)C(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000278821902 248749486 /nfs/dbraw/zinc/74/94/86/248749486.db2.gz XVAKBCDYFGQECM-GFCCVEGCSA-N -2 0 308.334 1.536 20 0 DDADRL CCc1ccc([N-]S(=O)(=O)c2ccn(C)n2)c(C(=O)[O-])c1 ZINC000353070256 285495243 /nfs/dbraw/zinc/49/52/43/285495243.db2.gz CCHGLNQJCCGEBI-UHFFFAOYSA-N -2 0 309.347 1.482 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000570683487 304419678 /nfs/dbraw/zinc/41/96/78/304419678.db2.gz RPVJGWBOOPPRHX-SNVBAGLBSA-N -2 0 323.374 1.712 20 0 DDADRL Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)NOCC(C)C ZINC000269656106 408378776 /nfs/dbraw/zinc/37/87/76/408378776.db2.gz BMAOORNBELRPDT-UHFFFAOYSA-N -2 0 316.361 1.799 20 0 DDADRL CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1 ZINC000314359920 164014664 /nfs/dbraw/zinc/01/46/64/164014664.db2.gz WJOUZNFYCWDHJD-UHFFFAOYSA-N -2 0 322.342 1.727 20 0 DDADRL Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000315559890 164020105 /nfs/dbraw/zinc/02/01/05/164020105.db2.gz OBHKZSXTAOQZEI-UHFFFAOYSA-N -2 0 324.314 1.520 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c[nH]1 ZINC000348882503 409571912 /nfs/dbraw/zinc/57/19/12/409571912.db2.gz LGMAHXAMKRQMKY-UHFFFAOYSA-N -2 0 300.267 1.358 20 0 DDADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000349111305 409700146 /nfs/dbraw/zinc/70/01/46/409700146.db2.gz WMWIMDCFPNVVBI-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(C2CC2)n1 ZINC000291168275 222190779 /nfs/dbraw/zinc/19/07/79/222190779.db2.gz RJCLLDZOIWWSIC-UHFFFAOYSA-N -2 0 321.358 1.797 20 0 DDADRL CCSc1n[n-]c(=NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)s1 ZINC000417719714 420460586 /nfs/dbraw/zinc/46/05/86/420460586.db2.gz CXYIHIQZPJLWOZ-LLVKDONJSA-N -2 0 316.408 1.401 20 0 DDADRL O=C([O-])COc1ccc(/C=C\c2cc(C(=O)[O-])ncn2)cc1 ZINC000535593718 421707254 /nfs/dbraw/zinc/70/72/54/421707254.db2.gz DOSPRWGIQAOXGG-RJRFIUFISA-N -2 0 300.270 1.809 20 0 DDADRL O=C([O-])CC[C@H]1CCCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)C1 ZINC000653280662 423416261 /nfs/dbraw/zinc/41/62/61/423416261.db2.gz DJYYNSQOLTYRKC-WBMJQRKESA-N -2 0 309.362 1.901 20 0 DDADRL CO[C@@H](CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O)C(C)C ZINC000647130290 423768522 /nfs/dbraw/zinc/76/85/22/423768522.db2.gz OBBZUGYSVBVPCM-NSHDSACASA-N -2 0 317.363 1.503 20 0 DDADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(N)c1 ZINC000547868592 303556929 /nfs/dbraw/zinc/55/69/29/303556929.db2.gz VNFYNXROJZGGCB-UHFFFAOYSA-N -2 0 322.342 1.776 20 0 DDADRL Cc1n[n-]c(=NC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])s1 ZINC000388873140 325773356 /nfs/dbraw/zinc/77/33/56/325773356.db2.gz QCLVURZPLUEYLA-NSHDSACASA-N -2 0 318.358 1.484 20 0 DDADRL Cc1cc(F)c(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])c(F)c1 ZINC000656163999 483988606 /nfs/dbraw/zinc/98/86/06/483988606.db2.gz DWDNKPCUAIXFQI-SECBINFHSA-N -2 0 311.281 1.364 20 0 DDADRL C[C@@H](NC(=O)C1(C(=O)[O-])CC=CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000663121165 484685209 /nfs/dbraw/zinc/68/52/09/484685209.db2.gz GJYWKGSRGCIGAI-OUAUKWLOSA-N -2 0 309.362 1.659 20 0 DDADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)n1 ZINC000663139389 484698572 /nfs/dbraw/zinc/69/85/72/484698572.db2.gz BQEBGCWVIQIENW-CQSZACIVSA-N -2 0 309.322 1.142 20 0 DDADRL C[C@@H](C(=O)[O-])C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000669431064 485444746 /nfs/dbraw/zinc/44/47/46/485444746.db2.gz ZVVKXCGMASYADY-SNVBAGLBSA-N -2 0 305.330 1.812 20 0 DDADRL O=C([O-])CCC(=O)c1ccc(S(=O)(=O)[N-]c2cnoc2)cc1 ZINC000674336011 485602562 /nfs/dbraw/zinc/60/25/62/485602562.db2.gz YSVWEHZAAWJHHY-UHFFFAOYSA-N -2 0 324.314 1.523 20 0 DDADRL CCC(C)(C)N(C)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000684895615 486454547 /nfs/dbraw/zinc/45/45/47/486454547.db2.gz FLSZSDOYOURHIQ-ZJUUUORDSA-N -2 0 300.355 1.334 20 0 DDADRL CCCc1n[n-]c(=NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])s1 ZINC000424463418 528679480 /nfs/dbraw/zinc/67/94/80/528679480.db2.gz CEZKUTSNCBQUFC-SECBINFHSA-N -2 0 314.411 1.781 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)o1 ZINC000037048014 599734603 /nfs/dbraw/zinc/73/46/03/599734603.db2.gz ROAXTCJCCPSZKD-UHFFFAOYSA-N -2 0 307.287 1.655 20 0 DDADRL Cc1nn2c([n-]nc2S[C@@H](C)c2ccc(C(=O)[O-])o2)nc1=O ZINC000738927417 600003681 /nfs/dbraw/zinc/00/36/81/600003681.db2.gz NNFWBBMJRHKJOS-LURJTMIESA-N -2 0 321.318 1.266 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])n(C)n1 ZINC000037300451 600052977 /nfs/dbraw/zinc/05/29/77/600052977.db2.gz DCQGTMNJNVSTSV-UHFFFAOYSA-N -2 0 313.335 1.437 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)n(C)n1 ZINC000315146215 600053067 /nfs/dbraw/zinc/05/30/67/600053067.db2.gz UOEIIHRDJDZYRP-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CCCn1nccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000737049325 600055632 /nfs/dbraw/zinc/05/56/32/600055632.db2.gz FFBOKZVYQPRRSE-UHFFFAOYSA-N -2 0 309.347 1.792 20 0 DDADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)c1cscn1 ZINC000739451885 600056575 /nfs/dbraw/zinc/05/65/75/600056575.db2.gz BGAQFWAEONXJMZ-UHFFFAOYSA-N -2 0 318.357 1.022 20 0 DDADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(C)cn2)c1C(=O)[O-] ZINC000037300482 600101909 /nfs/dbraw/zinc/10/19/09/600101909.db2.gz WASCXDCGQBDSMN-UHFFFAOYSA-N -2 0 310.331 2.099 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c1C(=O)[O-] ZINC000738240530 600234864 /nfs/dbraw/zinc/23/48/64/600234864.db2.gz NYNCABCFJSVVNC-UHFFFAOYSA-N -2 0 313.310 1.665 20 0 DDADRL CCCc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1 ZINC000315067335 600529049 /nfs/dbraw/zinc/52/90/49/600529049.db2.gz IAJPACNLNHDNSZ-UHFFFAOYSA-N -2 0 323.374 1.721 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1C(=O)[O-] ZINC000020373387 600828984 /nfs/dbraw/zinc/82/89/84/600828984.db2.gz BLTAFEALCFVOCP-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL Cc1ccc(/C=C\S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1 ZINC000832930615 600987226 /nfs/dbraw/zinc/98/72/26/600987226.db2.gz YRPWMDOYLSVLOU-SREVYHEPSA-N -2 0 322.346 1.084 20 0 DDADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)n1 ZINC000314023625 601359226 /nfs/dbraw/zinc/35/92/26/601359226.db2.gz JMHSRMWFDJIRCW-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cn1 ZINC000314085518 601359465 /nfs/dbraw/zinc/35/94/65/601359465.db2.gz WRDOWFRDIODPPC-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL Cc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)s1 ZINC000123510716 601501621 /nfs/dbraw/zinc/50/16/21/601501621.db2.gz DQWVHEDUVQGPOA-UHFFFAOYSA-N -2 0 317.323 1.485 20 0 DDADRL Cn1cnc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])c1Cl ZINC000833057998 601603181 /nfs/dbraw/zinc/60/31/81/601603181.db2.gz PUVFYBCSFLWCOI-UHFFFAOYSA-N -2 0 322.755 1.029 20 0 DDADRL CC[C@H](C)CS(=O)(=O)C=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C ZINC000828747738 601614274 /nfs/dbraw/zinc/61/42/74/601614274.db2.gz VEHKBKKGBMMXDS-QMMMGPOBSA-N -2 0 315.391 1.973 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2cc(Cl)ccn2)cc1C(=O)[O-] ZINC000236090309 601769232 /nfs/dbraw/zinc/76/92/32/601769232.db2.gz JYZRFAKNGBTYBH-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL Cn1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)n1 ZINC000080308251 601831918 /nfs/dbraw/zinc/83/19/18/601831918.db2.gz QOSOREWYYUJYJC-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL Cn1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])n1 ZINC000740291338 601999627 /nfs/dbraw/zinc/99/96/27/601999627.db2.gz AOEGTHAAZBTPHV-UHFFFAOYSA-N -2 0 322.346 1.261 20 0 DDADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC000832992064 602117779 /nfs/dbraw/zinc/11/77/79/602117779.db2.gz WPRRGLHAVSOSTE-UHFFFAOYSA-N -2 0 301.349 1.587 20 0 DDADRL CCCCN(CCCC)S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-] ZINC000829389208 602188692 /nfs/dbraw/zinc/18/86/92/602188692.db2.gz FXOXDTZEROXDRF-NSHDSACASA-N -2 0 322.427 1.360 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-])c(F)c1 ZINC000832954654 602196407 /nfs/dbraw/zinc/19/64/07/602196407.db2.gz MQTGLXJNVSOCBB-QMMMGPOBSA-N -2 0 303.311 1.050 20 0 DDADRL CCCc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n[nH]1 ZINC000317691612 602305554 /nfs/dbraw/zinc/30/55/54/602305554.db2.gz ZHPQMVCTWOVPFE-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL C[C@@H](CNC(=O)[O-])N(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000824968095 603778877 /nfs/dbraw/zinc/77/88/77/603778877.db2.gz YSEOXONJAVTGBD-ZETCQYMHSA-N -2 0 309.347 1.845 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)C2CCCC2)C1 ZINC000832323607 604126114 /nfs/dbraw/zinc/12/61/14/604126114.db2.gz FLXSYAPOQAYCOF-NXEZZACHSA-N -2 0 318.395 1.201 20 0 DDADRL C[C@H]1CN(C(=O)c2cc(F)cc(Cl)c2[O-])C[C@@H]1C(=O)[O-] ZINC000828387829 604311270 /nfs/dbraw/zinc/31/12/70/604311270.db2.gz SRZWQAYZUFPNAB-RCOVLWMOSA-N -2 0 301.701 1.977 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)[N-]OCC(F)(F)F ZINC000832915348 604424879 /nfs/dbraw/zinc/42/48/79/604424879.db2.gz IMFUDIBFXFNJSJ-UHFFFAOYSA-N -2 0 320.223 1.242 20 0 DDADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)ncn1 ZINC000833730181 604885232 /nfs/dbraw/zinc/88/52/32/604885232.db2.gz ZXYFOEOUFUGWKG-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL CC(C)n1cc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)cn1 ZINC000827186308 604890250 /nfs/dbraw/zinc/89/02/50/604890250.db2.gz HNUGSMFKAMEETJ-UHFFFAOYSA-N -2 0 310.335 1.358 20 0 DDADRL C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833605544 605118694 /nfs/dbraw/zinc/11/86/94/605118694.db2.gz QBKITNJPELONOE-IMTBSYHQSA-N -2 0 317.750 1.499 20 0 DDADRL O=C([O-])CSCc1cccc(NC(=O)CCNC(=O)[O-])c1 ZINC000831815282 605184953 /nfs/dbraw/zinc/18/49/53/605184953.db2.gz FNGRRNTZTLLTNL-UHFFFAOYSA-N -2 0 312.347 1.601 20 0 DDADRL O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000834061230 605688767 /nfs/dbraw/zinc/68/87/67/605688767.db2.gz QXABSNZUWQWCGK-VIFPVBQESA-N -2 0 310.306 1.517 20 0 DDADRL O=C([O-])N1CC[C@H](C(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)C1 ZINC000834014134 606049415 /nfs/dbraw/zinc/04/94/15/606049415.db2.gz HIWMLIOPYFISOL-ZBEGNZNMSA-N -2 0 318.329 1.029 20 0 DDADRL O=C([O-])CN(C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)C1CCCCC1 ZINC000834060256 606051413 /nfs/dbraw/zinc/05/14/13/606051413.db2.gz OVJWZJUSAZDOIU-MNOVXSKESA-N -2 0 312.366 1.669 20 0 DDADRL CCCCC[C@H](NC(=O)C1CCN(C(=O)[O-])CC1)C(=O)[O-] ZINC000833854575 606067621 /nfs/dbraw/zinc/06/76/21/606067621.db2.gz ZRYSUTNPCIKHMD-NSHDSACASA-N -2 0 300.355 1.526 20 0 DDADRL C[C@H]1CN(C(=O)c2cc(F)c(F)c([O-])c2F)CC[C@@H]1C(=O)[O-] ZINC000318984265 698708701 /nfs/dbraw/zinc/70/87/01/698708701.db2.gz JGZUAVMEDGZJSU-BQBZGAKWSA-N -2 0 317.263 1.992 20 0 DDADRL CC(C)=CC[C@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000864449392 706172684 /nfs/dbraw/zinc/17/26/84/706172684.db2.gz JKIWODVJUVABDT-SFYZADRCSA-N -2 0 303.302 1.666 20 0 DDADRL CCS(=O)(CC)=NS(=O)(=O)[N-]c1cccc(F)c1[O-] ZINC000872378578 707394532 /nfs/dbraw/zinc/39/45/32/707394532.db2.gz BYVMQPJDSKBFBW-UHFFFAOYSA-N -2 0 310.372 1.696 20 0 DDADRL O=C([O-])[C@@H]1COCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000909057587 712927777 /nfs/dbraw/zinc/92/77/77/712927777.db2.gz UJLMPQXKLXCHQM-VIFPVBQESA-N -2 0 303.673 1.110 20 0 DDADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(C)CCC(=O)[O-])n2)c1 ZINC000909166319 712951768 /nfs/dbraw/zinc/95/17/68/712951768.db2.gz GZQOIAFABRDICN-UHFFFAOYSA-N -2 0 321.308 1.572 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCc2ccc(F)cc2)C1 ZINC000910185400 709802046 /nfs/dbraw/zinc/80/20/46/709802046.db2.gz JBAUFZGWPCFTDU-YPMHNXCESA-N -2 0 323.320 1.535 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)C2CCC(C3CC3)CC2)C1 ZINC000910185451 709802131 /nfs/dbraw/zinc/80/21/31/709802131.db2.gz ZRVQDZUOQPZCPV-PQAZSJQKSA-N -2 0 323.389 1.979 20 0 DDADRL CCc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC000910186618 709802496 /nfs/dbraw/zinc/80/24/96/709802496.db2.gz SLFJPWBGFNQPLM-QWHCGFSZSA-N -2 0 305.330 1.639 20 0 DDADRL CSc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC000910188570 709803762 /nfs/dbraw/zinc/80/37/62/709803762.db2.gz LZEOOGPXOGHXOM-ZYHUDNBSSA-N -2 0 323.370 1.799 20 0 DDADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)CC1(F)CC1 ZINC000905992532 712213120 /nfs/dbraw/zinc/21/31/20/712213120.db2.gz YYQMZVJAWUCDOX-UHFFFAOYSA-N -2 0 309.265 1.907 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC000907730340 712619458 /nfs/dbraw/zinc/61/94/58/712619458.db2.gz JMQSBMKRJPOAAS-KPXOBLAASA-N -2 0 307.346 1.055 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2ccnc(C)n2)cc1C(=O)[O-] ZINC001185272104 744195283 /nfs/dbraw/zinc/19/52/83/744195283.db2.gz YKIJHSYNUASVQY-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000828504974 759665384 /nfs/dbraw/zinc/66/53/84/759665384.db2.gz MCVYDFRAEVDCHS-JTQLQIEISA-N -2 0 311.378 1.837 20 0 DDADRL Cc1ncnc(C)c1NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148917112 773634307 /nfs/dbraw/zinc/63/43/07/773634307.db2.gz LCHHROCTXXBAPU-UHFFFAOYSA-N -2 0 323.330 1.298 20 0 DDADRL O=C(c1cc(F)cc(F)c1[O-])N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001412890011 855759632 /nfs/dbraw/zinc/75/96/32/855759632.db2.gz XWBBTNKJINHSKK-SSDOTTSWSA-N -2 0 324.287 1.514 20 0 DDADRL CCOC(=O)c1ccc(C)c(NCCOP(=O)([O-])[O-])n1 ZINC001157788240 864140398 /nfs/dbraw/zinc/14/03/98/864140398.db2.gz WTVIOKXITWMNJH-UHFFFAOYSA-N -2 0 304.239 1.088 20 0 DDADRL Cc1nc(-c2ccccn2)nc(NCCOP(=O)([O-])[O-])c1C ZINC001157795978 864149361 /nfs/dbraw/zinc/14/93/61/864149361.db2.gz PBGLRKVLIOOZFG-UHFFFAOYSA-N -2 0 324.277 1.677 20 0 DDADRL Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1Cl ZINC001225864193 882075969 /nfs/dbraw/zinc/07/59/69/882075969.db2.gz XAQFIZAIIUQDHW-KCJUWKMLSA-N -2 0 316.693 1.090 20 0 DDADRL CC[C@H](C)[C@H](Nc1ccc(P(=O)([O-])[O-])cc1)C(=O)OC ZINC001164139710 868968541 /nfs/dbraw/zinc/96/85/41/868968541.db2.gz UFPSNFTYCHEYTQ-CABZTGNLSA-N -2 0 301.279 1.489 20 0 DDADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)[N-]N2CCOC2=O)n1 ZINC001362667040 884368750 /nfs/dbraw/zinc/36/87/50/884368750.db2.gz SDDRJZVHEKORKL-UHFFFAOYSA-N -2 0 320.280 1.122 20 0 DDADRL CO[C@H](C)CO[C@@H](C)COc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234337261 887881417 /nfs/dbraw/zinc/88/14/17/887881417.db2.gz YRPUTLIUPKGXNT-MNOVXSKESA-N -2 0 320.278 1.977 20 0 DDADRL O=P([O-])([O-])Oc1ccc(O[C@H]2CCc3nccn3C2)cc1 ZINC001234337032 887881908 /nfs/dbraw/zinc/88/19/08/887881908.db2.gz WFOPJAQVOOFRNA-LBPRGKRZSA-N -2 0 310.246 1.748 20 0 DDADRL O=C([O-])c1ccc(-c2ccc3c(c2)C(=O)[N-]S3(=O)=O)c(F)c1 ZINC001239255006 890567463 /nfs/dbraw/zinc/56/74/63/890567463.db2.gz WLZIULUKWODKEJ-UHFFFAOYSA-N -2 0 321.285 1.623 20 0 DDADRL Cc1cc(-c2ccc3c(c2)S(=O)(=O)[N-]C3=O)ccc1C(=O)[O-] ZINC001243214846 891622123 /nfs/dbraw/zinc/62/21/23/891622123.db2.gz HQSXSRZOWVTJAJ-UHFFFAOYSA-N -2 0 317.322 1.792 20 0 DDADRL CCOc1ccc(C(=O)[O-])cc1-c1nccnc1CC(=O)[O-] ZINC001244418989 891852999 /nfs/dbraw/zinc/85/29/99/891852999.db2.gz UERDEOCRYIRXTH-UHFFFAOYSA-N -2 0 302.286 1.868 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2noc3cccnc23)c1 ZINC001260182650 899073024 /nfs/dbraw/zinc/07/30/24/899073024.db2.gz LHXVLPHKVQAATC-UHFFFAOYSA-N -2 0 319.298 1.722 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cn1 ZINC000066580143 353006293 /nfs/dbraw/zinc/00/62/93/353006293.db2.gz XZOCZUBKSDUMLR-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])c[nH]1 ZINC000281937645 216644526 /nfs/dbraw/zinc/64/45/26/216644526.db2.gz RKUBUQWCSUHFGT-UHFFFAOYSA-N -2 0 323.374 1.926 20 0 DDADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000020226981 182199373 /nfs/dbraw/zinc/19/93/73/182199373.db2.gz MYDRSHXKFPEIBE-UHFFFAOYSA-N -2 0 309.347 1.454 20 0 DDADRL Cc1noc(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000024433312 182381008 /nfs/dbraw/zinc/38/10/08/182381008.db2.gz HNIVXOZRTCNXOQ-UHFFFAOYSA-N -2 0 314.294 1.930 20 0 DDADRL O=C([O-])[C@@H](CC(F)F)NS(=O)(=O)c1cccc2ccoc21 ZINC000567462305 304221009 /nfs/dbraw/zinc/22/10/09/304221009.db2.gz HLNIPGDZIJXXFS-MRVPVSSYSA-N -2 0 319.285 1.820 20 0 DDADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC000061564199 184174575 /nfs/dbraw/zinc/17/45/75/184174575.db2.gz OJHPOTRMHAMJLY-UHFFFAOYSA-N -2 0 303.246 1.187 20 0 DDADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C(C)C)c1 ZINC000061683291 184182249 /nfs/dbraw/zinc/18/22/49/184182249.db2.gz SLTBMBQFGHCITQ-UHFFFAOYSA-N -2 0 313.335 1.864 20 0 DDADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000352436505 285049839 /nfs/dbraw/zinc/04/98/39/285049839.db2.gz HGNGRRZZJDCQLL-UHFFFAOYSA-N -2 0 309.347 1.156 20 0 DDADRL O=C([O-])c1ccc(CNC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000263349642 163954547 /nfs/dbraw/zinc/95/45/47/163954547.db2.gz HLRYDXWVMGYUHS-UHFFFAOYSA-N -2 0 320.345 1.827 20 0 DDADRL Cc1cccc(F)c1S(=O)(=O)NC[C@H]1CCC[C@H]1C(=O)[O-] ZINC000297076849 409791838 /nfs/dbraw/zinc/79/18/38/409791838.db2.gz XGPLHMCUYSPECJ-GHMZBOCLSA-N -2 0 315.366 1.913 20 0 DDADRL CC(C)(C(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000647733644 423020172 /nfs/dbraw/zinc/02/01/72/423020172.db2.gz SKYXTHVTTHNANN-LBPRGKRZSA-N -2 0 307.346 1.690 20 0 DDADRL O=C(c1ccc(Cl)cc1O)N1CCc2c(=O)[nH]cnc2C1 ZINC000436829626 420372925 /nfs/dbraw/zinc/37/29/25/420372925.db2.gz MEWWUJKPFJIGAW-UHFFFAOYSA-N -2 0 305.721 1.740 20 0 DDADRL CCn1nccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000471916906 420956430 /nfs/dbraw/zinc/95/64/30/420956430.db2.gz DIOFOTCQMIARIX-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL C[C@@H]1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)C[C@@H]1C(=O)[O-] ZINC000570206808 421632123 /nfs/dbraw/zinc/63/21/23/421632123.db2.gz BGYJKUYIFITRHJ-YYJSSNLHSA-N -2 0 312.366 1.382 20 0 DDADRL Cc1n[n-]c(=NC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)s1 ZINC000555760417 421689726 /nfs/dbraw/zinc/68/97/26/421689726.db2.gz WLRHWGHAQXHHBQ-NSHDSACASA-N -2 0 320.374 1.833 20 0 DDADRL CC[C@H](NS(=O)(=O)c1ncccc1C(F)(F)F)C(=O)[O-] ZINC000646019679 423294155 /nfs/dbraw/zinc/29/41/55/423294155.db2.gz UXITXYHKNUZXQO-ZETCQYMHSA-N -2 0 312.269 1.242 20 0 DDADRL CC(C)(CCC(=O)[O-])NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000656857910 423806351 /nfs/dbraw/zinc/80/63/51/423806351.db2.gz FBERUFQPYVTATA-UHFFFAOYSA-N -2 0 309.318 1.523 20 0 DDADRL C[C@@](CNC(=O)N1CC[C@H](C(=O)[O-])C1)(C(=O)[O-])c1ccccc1 ZINC000652116299 423874297 /nfs/dbraw/zinc/87/42/97/423874297.db2.gz QSTMJHRGFMEBCG-ZBEGNZNMSA-N -2 0 320.345 1.145 20 0 DDADRL O=C([O-])COc1cccc(C(=O)NCC2(C(=O)[O-])CCC2)c1 ZINC000659783894 424253185 /nfs/dbraw/zinc/25/31/85/424253185.db2.gz CMDAYCJYIPRIHG-UHFFFAOYSA-N -2 0 307.302 1.135 20 0 DDADRL Cc1c(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cnn1C ZINC000362692421 307025624 /nfs/dbraw/zinc/02/56/24/307025624.db2.gz QNJRHTYVEVEJOR-UHFFFAOYSA-N -2 0 314.305 1.039 20 0 DDADRL CCCc1nc(=NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)s[n-]1 ZINC000580565194 308614980 /nfs/dbraw/zinc/61/49/80/308614980.db2.gz YHQMFPMIIURGFI-IUCAKERBSA-N -2 0 312.395 1.487 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1C(=O)[O-] ZINC000193361936 340576780 /nfs/dbraw/zinc/57/67/80/340576780.db2.gz WSSGCFDYIRCEPT-UHFFFAOYSA-N -2 0 319.342 1.590 20 0 DDADRL C[C@@H](CN(C)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)[O-] ZINC000663054771 484632403 /nfs/dbraw/zinc/63/24/03/484632403.db2.gz QMTYVHGTBAZTNN-VIFPVBQESA-N -2 0 321.308 1.510 20 0 DDADRL O=C([O-])c1cc(F)cc(S(=O)(=O)N[C@H]2CCCC2(F)F)c1 ZINC000672775092 485346451 /nfs/dbraw/zinc/34/64/51/485346451.db2.gz QWFZWMRQJDAZOI-JTQLQIEISA-N -2 0 323.292 1.990 20 0 DDADRL O=C([O-])[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000739545749 599727270 /nfs/dbraw/zinc/72/72/70/599727270.db2.gz BSPYIVSAIAOAKN-CHWSQXEVSA-N -2 0 319.338 1.365 20 0 DDADRL CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000737049809 599727745 /nfs/dbraw/zinc/72/77/45/599727745.db2.gz DSTIYUGRAQCMNM-VXGBXAGGSA-N -2 0 311.359 1.165 20 0 DDADRL CSc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cn1 ZINC000738213554 599802424 /nfs/dbraw/zinc/80/24/24/599802424.db2.gz ZNLVHLFGPVLGRF-UHFFFAOYSA-N -2 0 314.344 1.896 20 0 DDADRL COc1cccnc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000738126618 600103615 /nfs/dbraw/zinc/10/36/15/600103615.db2.gz JNQQNDRYUREVPM-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL Cc1csc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC000035295983 600244025 /nfs/dbraw/zinc/24/40/25/600244025.db2.gz CWUGDAXEXDFPJT-UHFFFAOYSA-N -2 0 312.372 1.879 20 0 DDADRL COc1cccnc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000738142368 600244537 /nfs/dbraw/zinc/24/45/37/600244537.db2.gz BRPMPNSAOOEPSG-UHFFFAOYSA-N -2 0 322.342 1.518 20 0 DDADRL CC(C)(C)/C=C/C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736252339 600272020 /nfs/dbraw/zinc/27/20/20/600272020.db2.gz VYXKWYFJTJCPFK-GQCTYLIASA-N -2 0 317.388 1.854 20 0 DDADRL C[C@H]1CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736783226 600462912 /nfs/dbraw/zinc/46/29/12/600462912.db2.gz XIPBGCGURALFCV-WDEREUQCSA-N -2 0 305.396 1.514 20 0 DDADRL Cc1cc(F)ccc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC000038030462 600528965 /nfs/dbraw/zinc/52/89/65/600528965.db2.gz KYOWIJGPBOZVOM-UHFFFAOYSA-N -2 0 313.310 1.216 20 0 DDADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000079705458 600576039 /nfs/dbraw/zinc/57/60/39/600576039.db2.gz BQOLBJSGWSMOLI-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL CCCn1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC000743262862 600686435 /nfs/dbraw/zinc/68/64/35/600686435.db2.gz BDPDLVXSJBDAJV-UHFFFAOYSA-N -2 0 309.347 1.792 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cn1 ZINC000832413454 601231181 /nfs/dbraw/zinc/23/11/81/601231181.db2.gz YMVJUILZIZYCBC-UHFFFAOYSA-N -2 0 312.303 1.491 20 0 DDADRL CCn1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC000032595386 601321996 /nfs/dbraw/zinc/32/19/96/601321996.db2.gz UCJYOXFBEIHIDS-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccncc1 ZINC000019231643 601359285 /nfs/dbraw/zinc/35/92/85/601359285.db2.gz ODQDQINKPDGKRP-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000832866587 601613304 /nfs/dbraw/zinc/61/33/04/601613304.db2.gz MWQCMBAYEVUSEU-QMMMGPOBSA-N -2 0 301.320 1.156 20 0 DDADRL CC(C)c1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n[nH]1 ZINC000317518017 601850846 /nfs/dbraw/zinc/85/08/46/601850846.db2.gz RMNZPEXSUPFILM-UHFFFAOYSA-N -2 0 323.374 1.961 20 0 DDADRL O=C([O-])N(CC[N-]S(=O)(=O)c1c(F)cccc1F)C1CC1 ZINC000740488297 602045152 /nfs/dbraw/zinc/04/51/52/602045152.db2.gz JVAKGTLQMLKNJH-UHFFFAOYSA-N -2 0 320.317 1.386 20 0 DDADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)nc1 ZINC000833318229 602157730 /nfs/dbraw/zinc/15/77/30/602157730.db2.gz KEMQQXBDSGECTR-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000392376547 602366303 /nfs/dbraw/zinc/36/63/03/602366303.db2.gz SRYQQQONHCDXSL-UHFFFAOYSA-N -2 0 319.321 1.194 20 0 DDADRL O=C([O-])N1CCc2c(cccc2[N-]S(=O)(=O)c2cn[nH]c2)C1 ZINC000740529967 603182471 /nfs/dbraw/zinc/18/24/71/603182471.db2.gz QWFLFKBCQJKYGG-UHFFFAOYSA-N -2 0 322.346 1.247 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000826730050 603445317 /nfs/dbraw/zinc/44/53/17/603445317.db2.gz VUDYTPPKXJHBGH-GARJFASQSA-N -2 0 320.411 1.305 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000826730051 603445376 /nfs/dbraw/zinc/44/53/76/603445376.db2.gz VUDYTPPKXJHBGH-HBNTYKKESA-N -2 0 320.411 1.305 20 0 DDADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)nc1 ZINC000316665961 604402121 /nfs/dbraw/zinc/40/21/21/604402121.db2.gz UMLRGWQSKAEQFZ-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL CC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833462665 605118103 /nfs/dbraw/zinc/11/81/03/605118103.db2.gz NZKLYQAOEYIDMR-UHFFFAOYSA-N -2 0 317.750 1.809 20 0 DDADRL CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000824176445 605272646 /nfs/dbraw/zinc/27/26/46/605272646.db2.gz LRTDTRGZRJCWHA-MNOVXSKESA-N -2 0 320.411 1.257 20 0 DDADRL CS(=O)(=O)[N-]c1ccccc1C(=O)OCCCC(=O)[O-] ZINC000738138676 605277897 /nfs/dbraw/zinc/27/78/97/605277897.db2.gz GEXAACMFVUZSFT-UHFFFAOYSA-N -2 0 301.320 1.080 20 0 DDADRL O=C([O-])CC[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(=O)[O-])C1 ZINC000834058360 605306496 /nfs/dbraw/zinc/30/64/96/605306496.db2.gz BYHUYMAJTROUCG-NEPJUHHUSA-N -2 0 312.366 1.622 20 0 DDADRL O=C([O-])c1cccc(CCNC(=O)[C@H]2CCCN2C(=O)[O-])c1 ZINC000834282511 605307733 /nfs/dbraw/zinc/30/77/33/605307733.db2.gz ANSAZYRQNSDJBR-GFCCVEGCSA-N -2 0 306.318 1.186 20 0 DDADRL O=C([O-])N1CCO[C@H](C(=O)Nc2ccc3[n-]c(=S)oc3c2)C1 ZINC000831778811 605756826 /nfs/dbraw/zinc/75/68/26/605756826.db2.gz VCEYESDBTYCXEA-JTQLQIEISA-N -2 0 323.330 1.434 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000834162334 606030277 /nfs/dbraw/zinc/03/02/77/606030277.db2.gz CYXUMKFXTSHMRO-UPJWGTAASA-N -2 0 320.345 1.235 20 0 DDADRL O=C([O-])CCN(CC1CC1)C(=O)CC1CCN(C(=O)[O-])CC1 ZINC000834060796 606047593 /nfs/dbraw/zinc/04/75/93/606047593.db2.gz WUTLITDLNHFTRD-UHFFFAOYSA-N -2 0 312.366 1.480 20 0 DDADRL O=C([O-])[C@@H](NC(=O)[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000834017395 606048411 /nfs/dbraw/zinc/04/84/11/606048411.db2.gz ZZVQHFJCSIQOOV-NEPJUHHUSA-N -2 0 306.318 1.319 20 0 DDADRL O=C([O-])C[C@@H]1CSCCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000834059204 606051342 /nfs/dbraw/zinc/05/13/42/606051342.db2.gz AOSJNMTXQVMMIC-LLVKDONJSA-N -2 0 324.358 1.809 20 0 DDADRL O=C([O-])CN(C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)C1CCCCC1 ZINC000834060252 606051614 /nfs/dbraw/zinc/05/16/14/606051614.db2.gz OVJWZJUSAZDOIU-GHMZBOCLSA-N -2 0 312.366 1.669 20 0 DDADRL Cc1oc(CN(C)C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)cc1C(=O)[O-] ZINC000833934323 606055105 /nfs/dbraw/zinc/05/51/05/606055105.db2.gz GJUKGJDKMIMXMG-NXEZZACHSA-N -2 0 324.333 1.681 20 0 DDADRL Cc1oc(CN(C)C(=O)[C@H]2CCC[C@H]2NC(=O)[O-])cc1C(=O)[O-] ZINC000833934232 606055135 /nfs/dbraw/zinc/05/51/35/606055135.db2.gz CQEJATJBLHVWHR-CMPLNLGQSA-N -2 0 324.333 1.681 20 0 DDADRL O=C([O-])N[C@H](C(=O)NCC1(C(=O)[O-])CCCC1)c1ccccc1 ZINC000834251715 606063607 /nfs/dbraw/zinc/06/36/07/606063607.db2.gz NZWKGCMMVJHBQG-LBPRGKRZSA-N -2 0 320.345 1.757 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)C2CCN(C(=O)[O-])CC2)CC1 ZINC000834058228 606113549 /nfs/dbraw/zinc/11/35/49/606113549.db2.gz AODUXLWRHFMSSG-UHFFFAOYSA-N -2 0 312.366 1.480 20 0 DDADRL CCc1ccccc1-n1cc([O-])c(C(=O)[N-]NC(=O)C2CC2)n1 ZINC000084382386 696557535 /nfs/dbraw/zinc/55/75/35/696557535.db2.gz VTTXDNWSCBLMFZ-UHFFFAOYSA-N -2 0 314.345 1.311 20 0 DDADRL CC(C)C[C@H](CNC(=O)C(=O)[N-]OC1CCCCC1)C(=O)[O-] ZINC000818659587 703953845 /nfs/dbraw/zinc/95/38/45/703953845.db2.gz XFSJIKMCAMOMBK-LLVKDONJSA-N -2 0 314.382 1.230 20 0 DDADRL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000863961170 706047173 /nfs/dbraw/zinc/04/71/73/706047173.db2.gz JZSCAOXVLRCOTB-UHFFFAOYSA-N -2 0 319.766 1.397 20 0 DDADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)CCC1CCCCC1)C1CC1 ZINC000863963482 706047379 /nfs/dbraw/zinc/04/73/79/706047379.db2.gz YBDSOEYJHLWLMK-LBPRGKRZSA-N -2 0 317.407 1.514 20 0 DDADRL Cc1cc(F)c(S(=O)(=O)NC2(C(F)F)CC2)cc1C(=O)[O-] ZINC000871959927 707256484 /nfs/dbraw/zinc/25/64/84/707256484.db2.gz RBBDCFMFTMFDON-UHFFFAOYSA-N -2 0 323.292 1.908 20 0 DDADRL O=C([O-])[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)[C@@H]1CCCOC1 ZINC000909544028 709509187 /nfs/dbraw/zinc/50/91/87/709509187.db2.gz HXGHYAADIBCQSK-SKDRFNHKSA-N -2 0 313.737 1.655 20 0 DDADRL CCCCSCC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910192424 709805481 /nfs/dbraw/zinc/80/54/81/709805481.db2.gz PXSGKQQONVTNDR-NXEZZACHSA-N -2 0 303.380 1.296 20 0 DDADRL O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000910588939 710012593 /nfs/dbraw/zinc/01/25/93/710012593.db2.gz ANCJUUXDDXGXTP-KOLCDFICSA-N -2 0 313.737 1.798 20 0 DDADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2(C(=O)[O-])CCSCC2)C1 ZINC000901658074 710111511 /nfs/dbraw/zinc/11/15/11/710111511.db2.gz WYGBFCMZFWMINP-ZJUUUORDSA-N -2 0 315.391 1.154 20 0 DDADRL CC(C)N(CC(F)F)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906894846 712430226 /nfs/dbraw/zinc/43/02/26/712430226.db2.gz LWZRFMMERWDRTK-UHFFFAOYSA-N -2 0 323.317 1.755 20 0 DDADRL O=C([O-])C1=CC[C@H]([N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000694941960 736459358 /nfs/dbraw/zinc/45/93/58/736459358.db2.gz HRPFXFKNHXBYQZ-QMMMGPOBSA-N -2 0 303.286 1.417 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cncc(O)c1 ZINC001185876039 744299876 /nfs/dbraw/zinc/29/98/76/744299876.db2.gz IGISRIJZTQVSAX-UHFFFAOYSA-N -2 0 308.315 1.595 20 0 DDADRL CCc1nccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185877727 744307082 /nfs/dbraw/zinc/30/70/82/744307082.db2.gz SMTZXHGWWYTALZ-UHFFFAOYSA-N -2 0 321.358 1.846 20 0 DDADRL Cc1cc(O)cnc1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189860655 745003485 /nfs/dbraw/zinc/00/34/85/745003485.db2.gz MEAZMDNGQMQEJY-UHFFFAOYSA-N -2 0 324.229 1.819 20 0 DDADRL CCC[C@@H](CCO)NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189898481 745047283 /nfs/dbraw/zinc/04/72/83/745047283.db2.gz DFOREAHWVUCCEU-JTQLQIEISA-N -2 0 317.278 1.439 20 0 DDADRL C[C@H](NC(=O)c1ccccc1OP(=O)([O-])[O-])c1cncnc1 ZINC001189899452 745048374 /nfs/dbraw/zinc/04/83/74/745048374.db2.gz BTDOADMXFUJVDB-VIFPVBQESA-N -2 0 323.245 1.439 20 0 DDADRL O=P([O-])([O-])OCCNC(=S)Nc1cc(F)cc(F)c1 ZINC001200676924 748309573 /nfs/dbraw/zinc/30/95/73/748309573.db2.gz HWFBEVMLSUWTKR-UHFFFAOYSA-N -2 0 312.234 1.361 20 0 DDADRL COc1nc(NCCOP(=O)([O-])[O-])cc2cc(F)ccc21 ZINC001168588994 751196982 /nfs/dbraw/zinc/19/69/82/751196982.db2.gz BERKNGZKHGOODB-UHFFFAOYSA-N -2 0 316.225 1.904 20 0 DDADRL O=C1NCc2ccccc2[C@@H]1Nc1ccc(P(=O)([O-])[O-])cc1 ZINC001169890524 762723050 /nfs/dbraw/zinc/72/30/50/762723050.db2.gz XKECHUPULXDQHH-AWEZNQCLSA-N -2 0 318.269 1.273 20 0 DDADRL Nc1cnc(Cl)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001176239605 778089708 /nfs/dbraw/zinc/08/97/08/778089708.db2.gz SAAHQHFVQJKKQI-UHFFFAOYSA-N -2 0 308.681 1.852 20 0 DDADRL Cc1ccn2c(c1)nnc2CNc1ccc(P(=O)([O-])[O-])cc1 ZINC001162704882 867752359 /nfs/dbraw/zinc/75/23/59/867752359.db2.gz QBIHKVKFJARCMR-UHFFFAOYSA-N -2 0 318.273 1.453 20 0 DDADRL C[C@H](Cc1ccco1)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c12 ZINC001226885829 882700910 /nfs/dbraw/zinc/70/09/10/882700910.db2.gz JHZQIXLHIZQKGS-ZCFIWIBFSA-N -2 0 304.262 1.140 20 0 DDADRL C[C@@H](Cc1ccco1)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c12 ZINC001226885828 882701411 /nfs/dbraw/zinc/70/14/11/882701411.db2.gz JHZQIXLHIZQKGS-LURJTMIESA-N -2 0 304.262 1.140 20 0 DDADRL COC(C)(C)C[C@H](C)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21 ZINC001226887111 882702256 /nfs/dbraw/zinc/70/22/56/882702256.db2.gz ZHBCQIWBHAEGQG-LURJTMIESA-N -2 0 310.310 1.119 20 0 DDADRL Cc1cc(Cl)cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001227984886 883268153 /nfs/dbraw/zinc/26/81/53/883268153.db2.gz NZUYWNRBRGERIO-GXSJLCMTSA-N -2 0 316.693 1.090 20 0 DDADRL O=C([N-]N1CCCC1=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001362208905 883304539 /nfs/dbraw/zinc/30/45/39/883304539.db2.gz BYQTVZQGIRLCGD-UHFFFAOYSA-N -2 0 322.271 1.123 20 0 DDADRL Cc1cc(C(C)C)ccc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001230212632 884377759 /nfs/dbraw/zinc/37/77/59/884377759.db2.gz YRDSMBVUNLLAQQ-LLVKDONJSA-N -2 0 318.262 1.494 20 0 DDADRL CC[S@@](C)(=O)=NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC001364194230 888124588 /nfs/dbraw/zinc/12/45/88/888124588.db2.gz CGWICHJWDPJOJS-OAQYLSRUSA-N -2 0 310.335 1.002 20 0 DDADRL CC(C)CN(Cc1nnn[n-]1)C(=O)c1cccc(Cl)c1[O-] ZINC001364652993 889127064 /nfs/dbraw/zinc/12/70/64/889127064.db2.gz YSUIDHSNUBECKR-UHFFFAOYSA-N -2 0 309.757 1.857 20 0 DDADRL CN(C)C(=O)c1ccnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242161344 891355599 /nfs/dbraw/zinc/35/55/99/891355599.db2.gz XNDMVOUYDKZETM-UHFFFAOYSA-N -2 0 314.297 1.847 20 0 DDADRL NC(=S)c1cccnc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242160884 891355950 /nfs/dbraw/zinc/35/59/50/891355950.db2.gz PMCGYVACWPUTFQ-UHFFFAOYSA-N -2 0 302.311 1.779 20 0 DDADRL CS(=O)(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001242161668 891357080 /nfs/dbraw/zinc/35/70/80/891357080.db2.gz HBOPYOASSVDUTE-UHFFFAOYSA-N -2 0 321.310 1.549 20 0 DDADRL COC(=O)c1cncc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001243148752 891611643 /nfs/dbraw/zinc/61/16/43/891611643.db2.gz WPFHSERFEPMKAF-UHFFFAOYSA-N -2 0 301.254 1.932 20 0 DDADRL COC(=O)c1nc2nc(-c3cc(C(=O)[O-])cnc3F)ccc2[n-]1 ZINC001244763475 891914004 /nfs/dbraw/zinc/91/40/04/891914004.db2.gz KMKRXMXNGFBDGR-UHFFFAOYSA-N -2 0 316.248 1.595 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnoc2)c(F)cc1Cl ZINC001259212914 898537324 /nfs/dbraw/zinc/53/73/24/898537324.db2.gz CNYGAQHPNVYZJN-UHFFFAOYSA-N -2 0 320.685 1.966 20 0 DDADRL Cc1ncncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260209607 899090105 /nfs/dbraw/zinc/09/01/05/899090105.db2.gz OHLXLZGVDFLGHF-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL Cc1cc(S(=O)(=O)Nc2ccc(C(N)=O)c(O)c2)ccc1F ZINC001260761840 899255536 /nfs/dbraw/zinc/25/55/36/899255536.db2.gz YBORWDGWLRFRCW-UHFFFAOYSA-N -2 0 324.333 1.739 20 0 DDADRL CCOc1ccc(S(=O)(=O)[N-]c2cccnn2)cc1C(=O)[O-] ZINC000388355028 901152865 /nfs/dbraw/zinc/15/28/65/901152865.db2.gz QPQJHFGPIJSAPN-UHFFFAOYSA-N -2 0 323.330 1.374 20 0 DDADRL Cc1ccc(-n2[n-]c(C(=O)N(CC(=O)[O-])C(C)C)cc2=O)cc1 ZINC000194956268 201316084 /nfs/dbraw/zinc/31/60/84/201316084.db2.gz OZJMPOCIUAQDPV-UHFFFAOYSA-N -2 0 317.345 1.409 20 0 DDADRL Cc1cccc(F)c1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000262405183 203285449 /nfs/dbraw/zinc/28/54/49/203285449.db2.gz KPEUBQGBIQVUGY-LLVKDONJSA-N -2 0 303.355 1.912 20 0 DDADRL COc1cncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c1 ZINC000337200607 249386915 /nfs/dbraw/zinc/38/69/15/249386915.db2.gz ZTQYXTSENGCZRW-UHFFFAOYSA-N -2 0 324.314 1.295 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cn1C ZINC000063009517 184265930 /nfs/dbraw/zinc/26/59/30/184265930.db2.gz GTZBGHPJFGZQPI-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL CC(C)(C)CCCS(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000569609543 304369141 /nfs/dbraw/zinc/36/91/41/304369141.db2.gz RUQYFDHTNNALIV-VIFPVBQESA-N -2 0 309.384 1.050 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000097061612 407277961 /nfs/dbraw/zinc/27/79/61/407277961.db2.gz QZRQPSYDGHSWCS-SFYZADRCSA-N -2 0 305.302 1.496 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2ccn(C)n2)c(C)c1C(=O)[O-] ZINC000156277120 408247159 /nfs/dbraw/zinc/24/71/59/408247159.db2.gz QXZISBRAXJDSFI-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccn(C)n2)c1 ZINC000356473283 298801369 /nfs/dbraw/zinc/80/13/69/298801369.db2.gz DIFIRROLTGXTCD-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CC(=O)c1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1O ZINC000647918496 423116329 /nfs/dbraw/zinc/11/63/29/423116329.db2.gz WBYZQQBQKJUDQX-UHFFFAOYSA-N -2 0 324.314 1.422 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c(C2CC2)n1 ZINC000291161467 222184514 /nfs/dbraw/zinc/18/45/14/222184514.db2.gz QVDFEXBFGWVJLF-UHFFFAOYSA-N -2 0 324.362 1.135 20 0 DDADRL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000650425457 423153170 /nfs/dbraw/zinc/15/31/70/423153170.db2.gz HGDLJLPBGYCSHN-SSDOTTSWSA-N -2 0 305.302 1.496 20 0 DDADRL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccnn2C)cc1F ZINC000547616189 421347953 /nfs/dbraw/zinc/34/79/53/421347953.db2.gz VVWIKMPSMHEMIC-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL CCn1cncc1S(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-] ZINC000548199044 421412032 /nfs/dbraw/zinc/41/20/32/421412032.db2.gz PMGZFQFCKBEXRI-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL Cc1cc(CS(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])on1 ZINC000548251129 421413894 /nfs/dbraw/zinc/41/38/94/421413894.db2.gz GMZBKFILDPYJBL-UHFFFAOYSA-N -2 0 314.294 1.762 20 0 DDADRL O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2cc([O-])cc(F)c2)C1 ZINC000630443464 422106291 /nfs/dbraw/zinc/10/62/91/422106291.db2.gz XRCBHAJSKDHICE-MRVPVSSYSA-N -2 0 303.311 1.017 20 0 DDADRL Cc1cnc(C(=O)N=c2nc(C3CCOCC3)[n-]s2)c([O-])c1 ZINC000629103089 422476787 /nfs/dbraw/zinc/47/67/87/422476787.db2.gz MUJAFYAXBUUPKT-UHFFFAOYSA-N -2 0 320.374 1.515 20 0 DDADRL CCCc1n[n-]c(=NC(=O)NC[C@@H](C(=O)[O-])C(C)C)s1 ZINC000653534845 423516467 /nfs/dbraw/zinc/51/64/67/423516467.db2.gz ZHWALOGKZSCDSZ-MRVPVSSYSA-N -2 0 300.384 1.391 20 0 DDADRL C[C@](O)(CN=c1nc(-c2cc(F)cc(F)c2)[n-]s1)C(=O)[O-] ZINC000647456422 424038441 /nfs/dbraw/zinc/03/84/41/424038441.db2.gz OJNNMRDFQVEEIN-LBPRGKRZSA-N -2 0 315.301 1.153 20 0 DDADRL CCC(CC)(CNC(=O)NC[C@@H](C(=O)[O-])C1CCC1)C(=O)[O-] ZINC000665313739 424780358 /nfs/dbraw/zinc/78/03/58/424780358.db2.gz RZMLMUONVQAYGR-LLVKDONJSA-N -2 0 314.382 1.678 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cc1 ZINC000317489420 271022242 /nfs/dbraw/zinc/02/22/42/271022242.db2.gz MGMZZQQMPCGEPK-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL CO[C@H](C)c1nc(=N[C@@H](C)c2ncc(C(=O)[O-])s2)s[n-]1 ZINC000575320304 308274690 /nfs/dbraw/zinc/27/46/90/308274690.db2.gz PUCSRURFIKPTFI-NTSWFWBYSA-N -2 0 314.392 1.995 20 0 DDADRL C[C@@H](CN(C)C(=O)c1ccc(Br)c(O)c1)C(=O)[O-] ZINC000235089476 484175864 /nfs/dbraw/zinc/17/58/64/484175864.db2.gz URQOSEHZTGCGPV-ZETCQYMHSA-N -2 0 316.151 1.947 20 0 DDADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1F ZINC000229620291 526379315 /nfs/dbraw/zinc/37/93/15/526379315.db2.gz ZVIRNAWJYUTZDJ-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2n[nH]c(=O)[n-]2)cc1 ZINC000738203419 599862035 /nfs/dbraw/zinc/86/20/35/599862035.db2.gz XYUOMUNDRKJOPM-SECBINFHSA-N -2 0 322.346 1.178 20 0 DDADRL O=C([O-])c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cn1 ZINC000739375335 599864173 /nfs/dbraw/zinc/86/41/73/599864173.db2.gz IWEJNVIORVSWTK-ZDUSSCGKSA-N -2 0 314.297 1.206 20 0 DDADRL CCn1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000737312963 600054523 /nfs/dbraw/zinc/05/45/23/600054523.db2.gz XSMPKLWRAXOCTR-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL Cc1nn(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1C ZINC000738347160 600126729 /nfs/dbraw/zinc/12/67/29/600126729.db2.gz CJKWWYOAVSZUCK-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c1C(=O)[O-] ZINC000738632575 600229289 /nfs/dbraw/zinc/22/92/89/600229289.db2.gz IHRBFQPQFOZNQZ-UHFFFAOYSA-N -2 0 313.310 1.665 20 0 DDADRL CC1=C(C(=O)[O-])[C@H](c2cccc(OCC(=O)[O-])c2)NC(=S)N1 ZINC000736751065 600625214 /nfs/dbraw/zinc/62/52/14/600625214.db2.gz OLGAMMUWPMPSQX-LBPRGKRZSA-N -2 0 322.342 1.027 20 0 DDADRL CC(C)c1nnc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)s1 ZINC000827168677 601503250 /nfs/dbraw/zinc/50/32/50/601503250.db2.gz RQDFXACWAWXHJI-UHFFFAOYSA-N -2 0 316.364 1.489 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])nc1 ZINC000832419681 601769533 /nfs/dbraw/zinc/76/95/33/601769533.db2.gz YLUZMJYGEDLTRA-UHFFFAOYSA-N -2 0 315.332 1.046 20 0 DDADRL CC(C)n1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)cn1 ZINC000827186618 601783185 /nfs/dbraw/zinc/78/31/85/601783185.db2.gz XKJKVKGNHHHDFQ-UHFFFAOYSA-N -2 0 312.351 1.302 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)c1 ZINC000738621448 601950433 /nfs/dbraw/zinc/95/04/33/601950433.db2.gz XGAZVYAPIPYYMO-HNNXBMFYSA-N -2 0 323.370 1.850 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n[nH]c1C1CC1 ZINC000832853052 602103089 /nfs/dbraw/zinc/10/30/89/602103089.db2.gz BFBCORCLURNVIF-UHFFFAOYSA-N -2 0 311.319 1.688 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)cn1C ZINC000833003339 602115213 /nfs/dbraw/zinc/11/52/13/602115213.db2.gz PAAZMGAYXLARJL-UHFFFAOYSA-N -2 0 301.349 1.289 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)cs1 ZINC000833303994 602307282 /nfs/dbraw/zinc/30/72/82/602307282.db2.gz FTOQVYPOPRTWDC-UHFFFAOYSA-N -2 0 313.360 1.848 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCSC2)s1 ZINC000833324325 602348244 /nfs/dbraw/zinc/34/82/44/602348244.db2.gz CPPIIURVYQTUGI-ZCFIWIBFSA-N -2 0 321.401 1.004 20 0 DDADRL O=C([O-])N1CCCc2cc(NC(=O)c3n[nH]c(=O)[n-]3)ccc21 ZINC000740472111 602577044 /nfs/dbraw/zinc/57/70/44/602577044.db2.gz PMEIBJRMEWXUIJ-UHFFFAOYSA-N -2 0 303.278 1.193 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000737798683 602728632 /nfs/dbraw/zinc/72/86/32/602728632.db2.gz JTYXLBVDHMDNQU-MNOVXSKESA-N -2 0 320.411 1.259 20 0 DDADRL CC(C)(CC(=O)N[C@@H](CNC(=O)[O-])C1CCCCC1)C(=O)[O-] ZINC000738733321 602789637 /nfs/dbraw/zinc/78/96/37/602789637.db2.gz UJTXFTKZUPIOOJ-NSHDSACASA-N -2 0 314.382 1.820 20 0 DDADRL Cc1ccc(C(=O)[N-]S(=O)(=O)CCCF)cc1NC(=O)[O-] ZINC000830225193 603438053 /nfs/dbraw/zinc/43/80/53/603438053.db2.gz IIACRMMROMJEPD-UHFFFAOYSA-N -2 0 318.326 1.504 20 0 DDADRL CC1(C)CCC[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1 ZINC000833560151 604612749 /nfs/dbraw/zinc/61/27/49/604612749.db2.gz BPTJKAMSBVELAN-JTQLQIEISA-N -2 0 305.396 1.514 20 0 DDADRL O=C([O-])C[C@H](NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1ccccc1 ZINC000834061749 606030451 /nfs/dbraw/zinc/03/04/51/606030451.db2.gz ZHEATHFDCZCOQN-AVGNSLFASA-N -2 0 320.345 1.755 20 0 DDADRL O=C([O-])[C@@H]1CC12CCN(C(=O)[C@@H]1CCCN(C(=O)[O-])C1)CC2 ZINC000834057233 606033516 /nfs/dbraw/zinc/03/35/16/606033516.db2.gz BRSLWGUJNYBSHG-MNOVXSKESA-N -2 0 310.350 1.090 20 0 DDADRL O=C([O-])[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)[O-])c1ccccc1 ZINC000833986969 606047892 /nfs/dbraw/zinc/04/78/92/606047892.db2.gz FJAWTAYJTCKARK-AAEUAGOBSA-N -2 0 306.318 1.461 20 0 DDADRL O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)CNC(=O)[O-] ZINC000834060809 606049957 /nfs/dbraw/zinc/04/99/57/606049957.db2.gz XKUTUJFFYAJASI-UHFFFAOYSA-N -2 0 316.260 1.036 20 0 DDADRL Cc1oc(CN(C)C(=O)C[C@@H]2CCCN2C(=O)[O-])cc1C(=O)[O-] ZINC000833934252 606055003 /nfs/dbraw/zinc/05/50/03/606055003.db2.gz DIOFYGFYLNHKRO-JTQLQIEISA-N -2 0 324.333 1.777 20 0 DDADRL O=C([O-])/C=C/c1ccc(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000834061067 606055858 /nfs/dbraw/zinc/05/58/58/606055858.db2.gz NURXNJLSERMAIH-ZXCPCRMDSA-N -2 0 304.302 1.723 20 0 DDADRL O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000834168012 606056514 /nfs/dbraw/zinc/05/65/14/606056514.db2.gz DYZNRDDQVHDNPS-YUMQZZPRSA-N -2 0 310.281 1.899 20 0 DDADRL O=C([O-])C[C@H]1CN(C(=O)c2cccc(NC(=O)[O-])c2)CCO1 ZINC000834061763 606062352 /nfs/dbraw/zinc/06/23/52/606062352.db2.gz ZRPUTKZZVGZWJH-NSHDSACASA-N -2 0 308.290 1.092 20 0 DDADRL O=C([O-])NC[C@H](C(=O)N1CC[C@](F)(C(=O)[O-])C1)c1ccccc1 ZINC000834210482 606066792 /nfs/dbraw/zinc/06/67/92/606066792.db2.gz PXCRLCZIKLHALT-XHDPSFHLSA-N -2 0 324.308 1.063 20 0 DDADRL O=C([N-]NC(=O)c1ccccc1)c1nn(-c2ccccc2)cc1[O-] ZINC000010158944 696038512 /nfs/dbraw/zinc/03/85/12/696038512.db2.gz SFQPIUDFHIMEJR-UHFFFAOYSA-N -2 0 322.324 1.653 20 0 DDADRL CC(C)C(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000047215100 696195268 /nfs/dbraw/zinc/19/52/68/696195268.db2.gz MTJLKJSZYPLATG-UHFFFAOYSA-N -2 0 320.754 1.004 20 0 DDADRL O=C(CSc1n[n-]c(=S)s1)[N-]OCC(F)(F)F ZINC000766763852 701062143 /nfs/dbraw/zinc/06/21/43/701062143.db2.gz DGEMWHITBVSZCT-UHFFFAOYSA-N -2 0 305.328 1.529 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc2ccccc2c(Cl)n1 ZINC000816731744 702167444 /nfs/dbraw/zinc/16/74/44/702167444.db2.gz CXLHCAMPFFXXLH-UHFFFAOYSA-N -2 0 305.681 1.275 20 0 DDADRL CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cccc(Cl)c2[O-])C1=O ZINC000813545794 702370692 /nfs/dbraw/zinc/37/06/92/702370692.db2.gz AJAQUXOCAISWBG-CYBMUJFWSA-N -2 0 311.725 1.411 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1ncccc1Oc1ccccc1 ZINC000820287955 704253290 /nfs/dbraw/zinc/25/32/90/704253290.db2.gz FRGPGYJDTBLETI-UHFFFAOYSA-N -2 0 313.273 1.261 20 0 DDADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)cn1 ZINC000863954523 706045704 /nfs/dbraw/zinc/04/57/04/706045704.db2.gz YPXSYZLWZCPIHO-UHFFFAOYSA-N -2 0 312.347 1.172 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])c(F)c1 ZINC000863957115 706046129 /nfs/dbraw/zinc/04/61/29/706046129.db2.gz SUYMTLHNSUFSQB-UHFFFAOYSA-N -2 0 317.338 1.584 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)/C=C/c2ccsc2)C1 ZINC000910181073 709800543 /nfs/dbraw/zinc/80/05/43/709800543.db2.gz BYPXDRCGKLQQEX-WBUYZEQOSA-N -2 0 309.343 1.538 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(CF)cc2)C1 ZINC000910181819 709800596 /nfs/dbraw/zinc/80/05/96/709800596.db2.gz GERDWBMSZQLLGP-RYUDHWBXSA-N -2 0 309.293 1.546 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccsc2Cl)C1 ZINC000910185037 709801336 /nfs/dbraw/zinc/80/13/36/709801336.db2.gz XCASTAWHSCFWIA-XPUUQOCRSA-N -2 0 317.750 1.792 20 0 DDADRL Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c(C)c1 ZINC000910186009 709802126 /nfs/dbraw/zinc/80/21/26/709802126.db2.gz MAJGNVKFOWMPOL-YPMHNXCESA-N -2 0 305.330 1.693 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc(Cl)c2)C1 ZINC000910186467 709802394 /nfs/dbraw/zinc/80/23/94/709802394.db2.gz RTBLSAYASQJKMX-KOLCDFICSA-N -2 0 311.721 1.730 20 0 DDADRL Cc1ccc(CC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC000910190277 709804697 /nfs/dbraw/zinc/80/46/97/709804697.db2.gz VUFPBFYWGKATPQ-OLZOCXBDSA-N -2 0 305.330 1.314 20 0 DDADRL O=C([N-][C@@H](c1nn[n-]n1)c1ccccc1)C(F)(F)C(F)F ZINC000913437054 713215134 /nfs/dbraw/zinc/21/51/34/713215134.db2.gz BBUDMFPOCNAISQ-SSDOTTSWSA-N -2 0 303.219 1.306 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnn2c1OCCC2 ZINC001198748575 747589557 /nfs/dbraw/zinc/58/95/57/747589557.db2.gz BTFNXLMREXQECQ-UHFFFAOYSA-N -2 0 323.330 1.165 20 0 DDADRL Cc1nc(C(=O)OC(C)C)ccc1NCCOP(=O)([O-])[O-] ZINC001168594844 751257774 /nfs/dbraw/zinc/25/77/74/751257774.db2.gz CBIHODLSAVYFSY-UHFFFAOYSA-N -2 0 318.266 1.476 20 0 DDADRL CCOC(=O)c1c(Cl)ccnc1NCCOP(=O)([O-])[O-] ZINC001168594925 751258704 /nfs/dbraw/zinc/25/87/04/751258704.db2.gz DQFFFAQMFYOFPR-UHFFFAOYSA-N -2 0 324.657 1.433 20 0 DDADRL COC(=O)c1nc2cccc(NCCOP(=O)([O-])[O-])c2o1 ZINC001168596192 751270808 /nfs/dbraw/zinc/27/08/08/751270808.db2.gz QPSDFELPTRZQIX-UHFFFAOYSA-N -2 0 316.206 1.136 20 0 DDADRL Cc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)n(CCO)n1 ZINC001176236081 778087696 /nfs/dbraw/zinc/08/76/96/778087696.db2.gz AJUGAUZVEUETOO-UHFFFAOYSA-N -2 0 305.290 1.324 20 0 DDADRL Cc1nnc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)nc1C ZINC001157164705 863627361 /nfs/dbraw/zinc/62/73/61/863627361.db2.gz AGGQXDPOJMQFCR-UHFFFAOYSA-N -2 0 320.289 1.573 20 0 DDADRL O=P([O-])([O-])OCCNc1ncc2c(Cl)cccc2n1 ZINC001157791715 864145367 /nfs/dbraw/zinc/14/53/67/864145367.db2.gz RLQJFOGSERJYGU-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL CCOC(=O)C[C@@H](C)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234337746 887882705 /nfs/dbraw/zinc/88/27/05/887882705.db2.gz JUFUBKVHMGHQRP-SECBINFHSA-N -2 0 304.235 1.879 20 0 DDADRL CN(C(=O)c1cc(Br)c(F)cc1[O-])c1nnn[n-]1 ZINC001364198322 888129479 /nfs/dbraw/zinc/12/94/79/888129479.db2.gz QBBMFECYRCDJJD-UHFFFAOYSA-N -2 0 316.090 1.084 20 0 DDADRL CNS(=O)(=O)c1ccc(C(=O)[N-]c2cnoc2C(C)C)o1 ZINC001364820478 889481840 /nfs/dbraw/zinc/48/18/40/889481840.db2.gz NEOAANASYFABEG-UHFFFAOYSA-N -2 0 313.335 1.551 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(-n3ccnc3)nn2)c1 ZINC001242159842 891353959 /nfs/dbraw/zinc/35/39/59/891353959.db2.gz ZTDLYCMJIODKEI-UHFFFAOYSA-N -2 0 310.269 1.726 20 0 DDADRL COC(OC)c1nccnc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242161391 891357168 /nfs/dbraw/zinc/35/71/68/891357168.db2.gz YTKBRKJLMHZDSJ-UHFFFAOYSA-N -2 0 318.285 1.831 20 0 DDADRL CS(=O)(=O)[N-]c1c(O)cc(S(=O)(=O)[O-])c2ccccc21 ZINC001252712954 895412192 /nfs/dbraw/zinc/41/21/92/895412192.db2.gz RBDMQEKDRTUJJK-UHFFFAOYSA-N -3 0 317.344 1.164 20 0 DDADRL COC(=O)c1cc(Br)cc([N-]S(C)(=O)=O)c1O ZINC001252712983 895412224 /nfs/dbraw/zinc/41/22/24/895412224.db2.gz RHQORIHMRSMXSY-UHFFFAOYSA-N -2 0 324.152 1.313 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc(Cl)nc2)cc1 ZINC001260221173 899096347 /nfs/dbraw/zinc/09/63/47/899096347.db2.gz MCUQYSHXOLNXMQ-UHFFFAOYSA-N -2 0 313.722 1.629 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cn(CCF)cn2)cc1 ZINC001260222732 899097586 /nfs/dbraw/zinc/09/75/86/899097586.db2.gz CFECXHLZAZHJBX-UHFFFAOYSA-N -2 0 313.310 1.352 20 0 DDADRL CC(C)[C@@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)C(=O)[O-] ZINC000087477828 185226102 /nfs/dbraw/zinc/22/61/02/185226102.db2.gz LUWPYWIJKMLBRK-SSDOTTSWSA-N -2 0 305.252 1.896 20 0 DDADRL CN(C)c1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC000443467939 529812243 /nfs/dbraw/zinc/81/22/43/529812243.db2.gz UJYKOLVGFXVCTK-UHFFFAOYSA-N -2 0 322.346 1.042 20 0 DDADRL COc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1 ZINC000388629007 539509041 /nfs/dbraw/zinc/50/90/41/539509041.db2.gz KPCXIOKSPXKLTC-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2cc(C)c(C)cc2C(=O)[O-])cn1C ZINC000194611850 201261701 /nfs/dbraw/zinc/26/17/01/201261701.db2.gz UYJILJFUKLTCHB-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL CC(C)(C[N-]S(=O)(=O)c1c(F)cccc1F)CC(=O)[O-] ZINC000275032766 212083499 /nfs/dbraw/zinc/08/34/99/212083499.db2.gz QDZCTBAYBHUHCH-UHFFFAOYSA-N -2 0 307.318 1.744 20 0 DDADRL CC(C)Cn1cnc(S(=O)(=O)N[C@](C)(C(=O)[O-])C2CC2)c1 ZINC000566676478 304175457 /nfs/dbraw/zinc/17/54/57/304175457.db2.gz PJJKYXOIGFHTIP-ZDUSSCGKSA-N -2 0 315.395 1.071 20 0 DDADRL Cn1cnc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1Cl ZINC000026527722 182445155 /nfs/dbraw/zinc/44/51/55/182445155.db2.gz LJNOLCOWQOIYCP-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL Cc1c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cnn1C ZINC000336846740 249252609 /nfs/dbraw/zinc/25/26/09/249252609.db2.gz BOUHRSFRKSUZCM-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL COCCc1nc(=NCc2ccc(C(=O)[O-])c(OC)c2)s[n-]1 ZINC000567616620 304229981 /nfs/dbraw/zinc/22/99/81/304229981.db2.gz GLAWRNRYVGMGNH-UHFFFAOYSA-N -2 0 323.374 1.468 20 0 DDADRL COCc1n[n-]c(=N[C@@H](C)c2ncc(C(=O)[O-])s2)s1 ZINC000568887925 304320174 /nfs/dbraw/zinc/32/01/74/304320174.db2.gz QKMPNZSIPLCTPP-YFKPBYRVSA-N -2 0 300.365 1.434 20 0 DDADRL CC(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000273359433 408165766 /nfs/dbraw/zinc/16/57/66/408165766.db2.gz ASKDIVMVZPCNLG-GFCCVEGCSA-N -2 0 313.375 1.906 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1C ZINC000357417638 410028070 /nfs/dbraw/zinc/02/80/70/410028070.db2.gz AUIHZQLZVSRGQA-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL O=c1[n-]c(CCCN=c2nc(C3CCCCC3)[n-]s2)n[nH]1 ZINC000420596338 420326503 /nfs/dbraw/zinc/32/65/03/420326503.db2.gz HLEYMOQWORPITL-UHFFFAOYSA-N -2 0 308.411 1.876 20 0 DDADRL CCn1nccc1S(=O)(=O)[N-]c1ccc(C)c(C(=O)[O-])c1 ZINC000471954953 420960790 /nfs/dbraw/zinc/96/07/90/420960790.db2.gz OOHYGIRQQQCQBM-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL Cc1cc(F)ccc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000552137618 421576363 /nfs/dbraw/zinc/57/63/63/421576363.db2.gz AYQRFOKSUPYBJT-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL C[C@H]1CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC000570277027 421634517 /nfs/dbraw/zinc/63/45/17/421634517.db2.gz USHXHRRFUFFQIW-GXFFZTMASA-N -2 0 320.345 1.637 20 0 DDADRL O=C([O-])C1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)CC1 ZINC000630441361 422106271 /nfs/dbraw/zinc/10/62/71/422106271.db2.gz LDUSTOVMOQRFEG-UHFFFAOYSA-N -2 0 303.311 1.017 20 0 DDADRL Cc1cc(S(=O)(=O)NC[C@H]2CCOC2(C)C)oc1C(=O)[O-] ZINC000663431618 423823485 /nfs/dbraw/zinc/82/34/85/423823485.db2.gz MNNWUDRFBNQGIB-SECBINFHSA-N -2 0 317.363 1.380 20 0 DDADRL CC(C)C[C@H](CNC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC000572638245 304545254 /nfs/dbraw/zinc/54/52/54/304545254.db2.gz WVNMELAQDRSSGH-QJPTWQEYSA-N -2 0 314.382 1.486 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c[nH]1 ZINC000548226021 307760613 /nfs/dbraw/zinc/76/06/13/307760613.db2.gz VFXPMXXULFZNIE-UHFFFAOYSA-N -2 0 317.273 1.495 20 0 DDADRL CC[C@@H](NC(=O)c1cc(C(=O)[O-])n(-c2ccccc2)n1)C(=O)[O-] ZINC000582219505 325990833 /nfs/dbraw/zinc/99/08/33/325990833.db2.gz WKSIEZRWPURPDH-SNVBAGLBSA-N -2 0 317.301 1.164 20 0 DDADRL C[C@@](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)(C(=O)[O-])c1ccccc1 ZINC000663141195 484699394 /nfs/dbraw/zinc/69/93/94/484699394.db2.gz KSHAWEMREWGGRT-GDLVEWKHSA-N -2 0 305.330 1.604 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000737798692 602728419 /nfs/dbraw/zinc/72/84/19/602728419.db2.gz JTYXLBVDHMDNQU-WDEREUQCSA-N -2 0 320.411 1.259 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])n(C)n1 ZINC000738464060 600054194 /nfs/dbraw/zinc/05/41/94/600054194.db2.gz ZXKZDLHOCJQQPL-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CS[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000738181574 600056814 /nfs/dbraw/zinc/05/68/14/600056814.db2.gz LSSXLLKEQOHJCP-YFKPBYRVSA-N -2 0 309.390 1.003 20 0 DDADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C1CC1 ZINC000826008272 601206633 /nfs/dbraw/zinc/20/66/33/601206633.db2.gz HKFPZXVLLQZHCS-ZCFIWIBFSA-N -2 0 303.361 1.297 20 0 DDADRL O=C([O-])c1ccc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)cn1 ZINC000833124119 601755717 /nfs/dbraw/zinc/75/57/17/601755717.db2.gz LBNGRGOSRPPBHE-LBPRGKRZSA-N -2 0 306.318 1.543 20 0 DDADRL C[C@H]1CN(C(=O)CSc2n[n-]c(=S)s2)C[C@H]1C(=O)[O-] ZINC000828340517 601759384 /nfs/dbraw/zinc/75/93/84/601759384.db2.gz IZRKCBIGGVAPNE-NTSWFWBYSA-N -2 0 319.433 1.098 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)o1 ZINC000833324171 601848119 /nfs/dbraw/zinc/84/81/19/601848119.db2.gz JOJMFPLUDQQZHM-UHFFFAOYSA-N -2 0 319.298 1.722 20 0 DDADRL Cn1c(Cl)ncc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000759708637 601861420 /nfs/dbraw/zinc/86/14/20/601861420.db2.gz ZGQOALKMOKCICL-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000827304232 602188306 /nfs/dbraw/zinc/18/83/06/602188306.db2.gz RNYVQNINKHIKBX-SECBINFHSA-N -2 0 322.342 1.151 20 0 DDADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2cccnc2)c1 ZINC000739924614 602652698 /nfs/dbraw/zinc/65/26/98/602652698.db2.gz SSFVIDRRAHSBON-UHFFFAOYSA-N -2 0 323.330 1.981 20 0 DDADRL CCS(=O)(=O)[N-]C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739518219 602686215 /nfs/dbraw/zinc/68/62/15/602686215.db2.gz PAVMMIHWLJTCTR-LLVKDONJSA-N -2 0 314.363 1.241 20 0 DDADRL C[C@@H]1CN(C(=O)c2c([O-])cc(F)cc2F)C[C@@H](C)N1C(=O)[O-] ZINC000739160397 602908570 /nfs/dbraw/zinc/90/85/70/602908570.db2.gz BREICLYBRGGKQB-HTQZYQBOSA-N -2 0 314.288 1.883 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739302629 602927535 /nfs/dbraw/zinc/92/75/35/602927535.db2.gz SFACWEUEMZMLAA-SNVBAGLBSA-N -2 0 322.427 1.695 20 0 DDADRL CN(C[C@@H]1CCCN1C(=O)c1c([O-])cc(F)cc1F)C(=O)[O-] ZINC000828211616 604000257 /nfs/dbraw/zinc/00/02/57/604000257.db2.gz KVSWGUGXRAVJKE-VIFPVBQESA-N -2 0 314.288 1.885 20 0 DDADRL CCC[C@@H](NC(=O)c1ccc(C)c(NC(=O)[O-])c1)c1nnn[n-]1 ZINC000826764637 604002503 /nfs/dbraw/zinc/00/25/03/604002503.db2.gz KPCLQXCYTBWOCE-SNVBAGLBSA-N -2 0 318.337 1.869 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000826575876 604188033 /nfs/dbraw/zinc/18/80/33/604188033.db2.gz NGGXHRRPVLMSQJ-GFCCVEGCSA-N -2 0 306.384 1.011 20 0 DDADRL CC(C)C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC000013264861 604882350 /nfs/dbraw/zinc/88/23/50/604882350.db2.gz KLDXNKPVAWQXBD-LLVKDONJSA-N -2 0 315.347 1.162 20 0 DDADRL CC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000827532270 605172965 /nfs/dbraw/zinc/17/29/65/605172965.db2.gz UTGAKSLJICWAFS-QMMMGPOBSA-N -2 0 320.754 1.191 20 0 DDADRL CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000833700635 605186235 /nfs/dbraw/zinc/18/62/35/605186235.db2.gz PDPPRDKNPJXJNU-UHFFFAOYSA-N -2 0 324.314 1.138 20 0 DDADRL Cc1sc([N-]S(=O)(=O)c2ccnn2C)c(C(=O)[O-])c1C ZINC000833758129 605302810 /nfs/dbraw/zinc/30/28/10/605302810.db2.gz OAGJAOWYFBFNME-UHFFFAOYSA-N -2 0 315.376 1.597 20 0 DDADRL O=C([O-])CC[C@H]1CCCN(C(=O)CC2(NC(=O)[O-])CCC2)C1 ZINC000834060153 605307330 /nfs/dbraw/zinc/30/73/30/605307330.db2.gz OGHWDEXGIDVSMF-LLVKDONJSA-N -2 0 312.366 1.670 20 0 DDADRL O=C([O-])Nc1ccc(CC(=O)N[C@@H](CC2CC2)C(=O)[O-])cc1 ZINC000834255882 605308396 /nfs/dbraw/zinc/30/83/96/605308396.db2.gz LXJOWAIYUXQUDW-LBPRGKRZSA-N -2 0 306.318 1.689 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2NC(=O)[O-])C1 ZINC000834060776 605310570 /nfs/dbraw/zinc/31/05/70/605310570.db2.gz WBJRMWONJCVJBB-SDDRHHMPSA-N -2 0 312.366 1.526 20 0 DDADRL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)[O-])CC1 ZINC000834016125 606029639 /nfs/dbraw/zinc/02/96/39/606029639.db2.gz USAXKDRSTWKJPQ-CYBMUJFWSA-N -2 0 320.345 1.189 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000834059728 606031173 /nfs/dbraw/zinc/03/11/73/606031173.db2.gz UHEAPBWHGQJCTE-RVMXOQNASA-N -2 0 324.377 1.621 20 0 DDADRL O=C([O-])CN(Cc1ccccc1)C(=O)CN(CC1CC1)C(=O)[O-] ZINC000834065979 606048103 /nfs/dbraw/zinc/04/81/03/606048103.db2.gz PPRJTXIKWQKTCY-UHFFFAOYSA-N -2 0 320.345 1.490 20 0 DDADRL O=C([O-])CN(C(=O)CC1(NC(=O)[O-])CCC1)C1CCCCC1 ZINC000834066190 606052085 /nfs/dbraw/zinc/05/20/85/606052085.db2.gz QILSOSKIMCNEEJ-UHFFFAOYSA-N -2 0 312.366 1.813 20 0 DDADRL O=C([O-])NCC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000834194371 606057714 /nfs/dbraw/zinc/05/77/14/606057714.db2.gz XBGAHCIDCHVHEU-UHFFFAOYSA-N -2 0 317.301 1.018 20 0 DDADRL O=C([O-])CCCCNC(=O)[C@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000834059697 606058271 /nfs/dbraw/zinc/05/82/71/606058271.db2.gz KDPRAGDJPYWRIJ-NWDGAFQWSA-N -2 0 314.382 1.964 20 0 DDADRL CC(C)C[C@@H](CNC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)C(=O)[O-] ZINC000833793859 606064421 /nfs/dbraw/zinc/06/44/21/606064421.db2.gz HVIMFDAQXKKDBA-VHSXEESVSA-N -2 0 302.371 1.532 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)NC[C@H](C(=O)[O-])c2ccccc2)C1 ZINC000834170483 606065536 /nfs/dbraw/zinc/06/55/36/606065536.db2.gz OQOXHMDEXNOPGN-XQQFMLRXSA-N -2 0 320.345 1.407 20 0 DDADRL O=C([O-])N[C@@H](CC(=O)N1CC[C@](F)(C(=O)[O-])C1)c1ccccc1 ZINC000834119217 606066847 /nfs/dbraw/zinc/06/68/47/606066847.db2.gz BAFKXNAADNACMB-XHDPSFHLSA-N -2 0 324.308 1.411 20 0 DDADRL O=C([O-])[C@@H](NC(=O)[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1F ZINC000834014052 606068085 /nfs/dbraw/zinc/06/80/85/606068085.db2.gz GATNNLKTYPDKQB-CABZTGNLSA-N -2 0 324.308 1.458 20 0 DDADRL O=C([O-])[C@@H](NC(=O)CN(CC1CC1)C(=O)[O-])c1ccccc1F ZINC000834005397 606068145 /nfs/dbraw/zinc/06/81/45/606068145.db2.gz CCBOEEOHSJBXDI-ZDUSSCGKSA-N -2 0 324.308 1.458 20 0 DDADRL O=C([O-])N[C@H](CC(=O)NC1(C(=O)[O-])CCC1)c1ccccc1 ZINC000834123637 606068521 /nfs/dbraw/zinc/06/85/21/606068521.db2.gz SIHWNHAGEAFHMZ-LLVKDONJSA-N -2 0 306.318 1.509 20 0 DDADRL Cn1nc([N-]S(=O)(=O)c2cccc(F)c2F)cc1C(=O)[O-] ZINC000776425637 698105919 /nfs/dbraw/zinc/10/59/19/698105919.db2.gz CXOYBCIERPNUNS-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](Cc1ccco1)C(=O)[O-] ZINC000776541697 698114554 /nfs/dbraw/zinc/11/45/54/698114554.db2.gz HSZMXCIOWOCVMZ-HTRCEHHLSA-N -2 0 315.269 1.146 20 0 DDADRL C[C@@H](F)CCNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000702602338 699231301 /nfs/dbraw/zinc/23/13/01/699231301.db2.gz MDWFMNWUNXPKCG-ZCFIWIBFSA-N -2 0 311.281 1.689 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]C[C@H](CC1CC1)C(=O)[O-] ZINC000844821425 703075902 /nfs/dbraw/zinc/07/59/02/703075902.db2.gz ODFXYWNQAFHSKF-SVRRBLITSA-N -2 0 303.302 1.358 20 0 DDADRL CCC(CC)(CNC(=O)C(=O)[N-]OC1CCCCC1)C(=O)[O-] ZINC000818658966 703953065 /nfs/dbraw/zinc/95/30/65/703953065.db2.gz GDLZBIOFNGLRAG-UHFFFAOYSA-N -2 0 314.382 1.374 20 0 DDADRL O=C([O-])CC1(C(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)CCC1 ZINC000863952937 706044969 /nfs/dbraw/zinc/04/49/69/706044969.db2.gz JMUKSRVZNIWPCB-YFHOEESVSA-N -2 0 323.370 1.748 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])nc1 ZINC000863954947 706045707 /nfs/dbraw/zinc/04/57/07/706045707.db2.gz UAJOLPUGXRDVMM-UHFFFAOYSA-N -2 0 314.363 1.276 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000863954717 706045736 /nfs/dbraw/zinc/04/57/36/706045736.db2.gz KMOGGXIIEVYJLV-GFCCVEGCSA-N -2 0 319.423 1.760 20 0 DDADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-] ZINC000863955182 706045849 /nfs/dbraw/zinc/04/58/49/706045849.db2.gz CPDKMLSFCXYQQQ-LLVKDONJSA-N -2 0 313.375 1.839 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])c(F)c1F ZINC000863961738 706046861 /nfs/dbraw/zinc/04/68/61/706046861.db2.gz ANBGVWJGXJCCEA-UHFFFAOYSA-N -2 0 321.301 1.189 20 0 DDADRL Cc1cc(C)c(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)s1 ZINC000863964584 706047662 /nfs/dbraw/zinc/04/76/62/706047662.db2.gz XFRYKZLFWFWCME-UHFFFAOYSA-N -2 0 317.388 1.425 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccnc1 ZINC000871996467 707274270 /nfs/dbraw/zinc/27/42/70/707274270.db2.gz RBHKRIXIVJDGSD-POYBYMJQSA-N -2 0 312.269 1.078 20 0 DDADRL CC1(C(=O)[O-])CN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])C1 ZINC000910058720 709759385 /nfs/dbraw/zinc/75/93/85/709759385.db2.gz LVPSDAAEDKOCFA-UHFFFAOYSA-N -2 0 319.292 1.264 20 0 DDADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCC[C@@H]2C2CC2)c1 ZINC000906852938 712422482 /nfs/dbraw/zinc/42/24/82/712422482.db2.gz NDVCNTHAIRCOOV-LLVKDONJSA-N -2 0 311.359 1.654 20 0 DDADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)CCC1 ZINC000203942421 739248686 /nfs/dbraw/zinc/24/86/86/739248686.db2.gz WJBWCZVKKBMMBD-YFHOEESVSA-N -2 0 309.343 1.358 20 0 DDADRL COc1cncc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC001184662601 744079862 /nfs/dbraw/zinc/07/98/62/744079862.db2.gz APYKKHQYMJPNMH-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2cncs2)cc1C(=O)[O-] ZINC001185270090 744194663 /nfs/dbraw/zinc/19/46/63/744194663.db2.gz XVCPEALSCKPWAR-UHFFFAOYSA-N -2 0 314.344 1.651 20 0 DDADRL O=C([O-])CCC(=O)CNC(=O)c1c([O-])c(F)c(F)c(F)c1F ZINC001195310587 746572958 /nfs/dbraw/zinc/57/29/58/746572958.db2.gz BNMWMJHWRZUJLN-UHFFFAOYSA-N -2 0 323.198 1.112 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)Nc1ccc(F)nc1F ZINC001198747459 747588684 /nfs/dbraw/zinc/58/86/84/747588684.db2.gz ZTKNPOWFKNYITB-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cn(CC2CC2)cn1 ZINC001198746784 747588778 /nfs/dbraw/zinc/58/87/78/747588778.db2.gz MFVICGBJMLSVDB-UHFFFAOYSA-N -2 0 321.358 1.792 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc2n(n1)CCCO2 ZINC001198746273 747589135 /nfs/dbraw/zinc/58/91/35/747589135.db2.gz AUKSMOFDKQEWNY-UHFFFAOYSA-N -2 0 323.330 1.165 20 0 DDADRL O=P([O-])([O-])OCCNc1ccnc(-c2cncs2)n1 ZINC001168589074 751199963 /nfs/dbraw/zinc/19/99/63/751199963.db2.gz CKNJXMFQHGQRRS-UHFFFAOYSA-N -2 0 302.252 1.121 20 0 DDADRL O=P([O-])([O-])OCCNc1ccc(OC(F)F)cc1F ZINC001168591470 751218336 /nfs/dbraw/zinc/21/83/36/751218336.db2.gz RTZSDDNCBKSCMY-UHFFFAOYSA-N -2 0 301.157 1.948 20 0 DDADRL CC(C)(C)OC(=O)c1cccnc1NCCOP(=O)([O-])[O-] ZINC001168591596 751220275 /nfs/dbraw/zinc/22/02/75/751220275.db2.gz CVXCKKDVSFXFAS-UHFFFAOYSA-N -2 0 318.266 1.558 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])C12CC3CC(CC(C3)C1)C2 ZINC001144770004 772615749 /nfs/dbraw/zinc/61/57/49/772615749.db2.gz VGIZDZFGHZWBNP-UHFFFAOYSA-N -2 0 303.295 1.428 20 0 DDADRL Cc1noc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1C(N)=O ZINC001176236535 778087872 /nfs/dbraw/zinc/08/78/72/778087872.db2.gz NPVVHAFOEHQFIS-UHFFFAOYSA-N -2 0 305.246 1.222 20 0 DDADRL COC(=O)c1cc(NCCOP(=O)([O-])[O-])ncc1Cl ZINC001157786866 864137360 /nfs/dbraw/zinc/13/73/60/864137360.db2.gz CVEHKPOWPUMSQE-UHFFFAOYSA-N -2 0 310.630 1.043 20 0 DDADRL Cc1cc(NCCOP(=O)([O-])[O-])nc(-c2ccccn2)n1 ZINC001157796046 864149625 /nfs/dbraw/zinc/14/96/25/864149625.db2.gz SVVGECDYADRXDU-UHFFFAOYSA-N -2 0 310.250 1.368 20 0 DDADRL Cc1cc(Cl)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001226880776 882698137 /nfs/dbraw/zinc/69/81/37/882698137.db2.gz CMWODHPNYFUVIZ-GZMMTYOYSA-N -2 0 316.693 1.090 20 0 DDADRL O=C([O-])C[C@@H](C(=O)Oc1ccc2ccsc2c1)[C@H](O)C(=O)[O-] ZINC001233603773 887142933 /nfs/dbraw/zinc/14/29/33/887142933.db2.gz LYEDTRVHYKXTPL-SKDRFNHKSA-N -2 0 324.310 1.343 20 0 DDADRL COc1cc(-c2ccc(P(=O)([O-])[O-])cc2)ccc1C(=O)[O-] ZINC001240746509 891030585 /nfs/dbraw/zinc/03/05/85/891030585.db2.gz PUZKIQPCOSLTFH-UHFFFAOYSA-N -3 0 308.226 1.863 20 0 DDADRL CCOC(=O)c1ccnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242159287 891353936 /nfs/dbraw/zinc/35/39/36/891353936.db2.gz KSJHQWINVPLIHY-UHFFFAOYSA-N -2 0 316.269 1.717 20 0 DDADRL O=P([O-])([O-])c1ccc(-c2c(F)cc(CO)cc2F)cc1 ZINC001244365465 891846003 /nfs/dbraw/zinc/84/60/03/891846003.db2.gz NBOSFDWRMCXPNO-UHFFFAOYSA-N -2 0 300.197 1.927 20 0 DDADRL O=C([O-])c1cc(-c2ccc3c(c2)C(=O)[N-]S3(=O)=O)cnc1F ZINC001244753269 891905346 /nfs/dbraw/zinc/90/53/46/891905346.db2.gz OHPBDHLSZXRUDZ-UHFFFAOYSA-N -2 0 322.273 1.018 20 0 DDADRL [NH3+][C@@H](Cc1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cc1)C(=O)[O-] ZINC001245644320 892218428 /nfs/dbraw/zinc/21/84/28/892218428.db2.gz PHWZFZREIMSVNR-AWEZNQCLSA-N -2 0 321.269 1.111 20 0 DDADRL COC(=O)c1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cc1N ZINC001245903351 892267055 /nfs/dbraw/zinc/26/70/55/892267055.db2.gz OAUGJBUTLBQOQV-UHFFFAOYSA-N -2 0 307.242 1.525 20 0 DDADRL Cc1cc(C)c(S(=O)(=O)NCC[P@@](=O)([O-])O)c(C)c1 ZINC001251509023 894717013 /nfs/dbraw/zinc/71/70/13/894717013.db2.gz WJFBJKOWWDFGOH-UHFFFAOYSA-N -2 0 307.308 1.068 20 0 DDADRL CCOc1cccnc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260183330 899075658 /nfs/dbraw/zinc/07/56/58/899075658.db2.gz LCQWYIPEXOZFPI-UHFFFAOYSA-N -2 0 322.342 1.979 20 0 DDADRL Cc1nc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cs1 ZINC001260394161 899134927 /nfs/dbraw/zinc/13/49/27/899134927.db2.gz TYKWAVQMODWSGY-UHFFFAOYSA-N -2 0 314.344 1.656 20 0 DDADRL CS(=O)(=O)CS(=O)(=O)[N-]c1c(O)ccc2ccccc21 ZINC001260591755 899178177 /nfs/dbraw/zinc/17/81/77/899178177.db2.gz KOTWNZJIWDIPKX-UHFFFAOYSA-N -2 0 315.372 1.289 20 0 DDADRL O=C([O-])COCCN=c1nc(-c2cc(F)cc(F)c2)[n-]s1 ZINC000634964533 422736434 /nfs/dbraw/zinc/73/64/34/422736434.db2.gz CHADWKRUVPLAIZ-UHFFFAOYSA-N -2 0 315.301 1.418 20 0 DDADRL O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000013469617 352148441 /nfs/dbraw/zinc/14/84/41/352148441.db2.gz XYKLOOPNRKJLAP-ZJUUUORDSA-N -2 0 306.274 1.906 20 0 DDADRL COC(=O)c1[n-]c(=N[C@@H](Cc2ccncc2)C(=O)[O-])sc1C ZINC000594541158 356245727 /nfs/dbraw/zinc/24/57/27/356245727.db2.gz QEMMFLULKOZCSH-JTQLQIEISA-N -2 0 321.358 1.163 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000566234278 304131499 /nfs/dbraw/zinc/13/14/99/304131499.db2.gz GLWQMIOGXGRQMY-UKRRQHHQSA-N -2 0 321.373 1.936 20 0 DDADRL COC[C@@H](C)S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC ZINC000274898421 212018110 /nfs/dbraw/zinc/01/81/10/212018110.db2.gz HPVNMKMZZIOQSF-MRVPVSSYSA-N -2 0 303.336 1.170 20 0 DDADRL CC(C)n1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000020557671 182231710 /nfs/dbraw/zinc/23/17/10/182231710.db2.gz PIDOPWIDVMMKDO-UHFFFAOYSA-N -2 0 309.347 1.963 20 0 DDADRL Cc1ccccc1-c1nc(=N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)s[n-]1 ZINC000629766909 422805886 /nfs/dbraw/zinc/80/58/86/422805886.db2.gz BWKMNKUOZWUHRR-YUSALJHKSA-N -2 0 319.386 1.571 20 0 DDADRL O=C(CSc1n[n-]c(=S)s1)[N-]O[C@@H]1CCCCO1 ZINC000267041010 407724909 /nfs/dbraw/zinc/72/49/09/407724909.db2.gz UFKHYVDPCFMRBU-SSDOTTSWSA-N -2 0 307.422 1.493 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cc1 ZINC000170551965 162186947 /nfs/dbraw/zinc/18/69/47/162186947.db2.gz QEMKEISPGOTNPO-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL CCn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000313897818 164011613 /nfs/dbraw/zinc/01/16/13/164011613.db2.gz XCSCHFIYCHYQPQ-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000349111748 409701387 /nfs/dbraw/zinc/70/13/87/409701387.db2.gz YHLZBYMUOJFLGT-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL O=C([O-])Cc1ccccc1NC(=O)c1cnc(C(=O)[O-])cn1 ZINC000338409847 409966794 /nfs/dbraw/zinc/96/67/94/409966794.db2.gz NKRVVDVQYZGRNU-UHFFFAOYSA-N -2 0 301.258 1.054 20 0 DDADRL COCCc1nc(=N[C@@H](CCC(C)(C)C)C(=O)[O-])s[n-]1 ZINC000416441301 420372743 /nfs/dbraw/zinc/37/27/43/420372743.db2.gz QMBPTJPKJZNOLT-VIFPVBQESA-N -2 0 301.412 1.840 20 0 DDADRL CCc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)ccc1O ZINC000514605483 421439096 /nfs/dbraw/zinc/43/90/96/421439096.db2.gz OTZJVQXMWGSAOF-GFCCVEGCSA-N -2 0 316.361 1.798 20 0 DDADRL CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cn(C(C)C)cn1 ZINC000516832481 421569063 /nfs/dbraw/zinc/56/90/63/421569063.db2.gz QFISQHSAKBMNAW-SNVBAGLBSA-N -2 0 303.384 1.242 20 0 DDADRL O=C([O-])CN(C1CCC1)S(=O)(=O)c1cc([O-])cc(F)c1 ZINC000630445956 422108576 /nfs/dbraw/zinc/10/85/76/422108576.db2.gz NCDNTKTVBNEUCD-UHFFFAOYSA-N -2 0 303.311 1.159 20 0 DDADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)N[C@H](C)C1CC1 ZINC000645951715 423260301 /nfs/dbraw/zinc/26/03/01/423260301.db2.gz DOBISEUGNGIARL-ZCFIWIBFSA-N -2 0 305.377 1.532 20 0 DDADRL C[C@@H](CNC(=O)N=c1[n-]nc(-c2ccsc2)s1)C(=O)[O-] ZINC000653537485 423518150 /nfs/dbraw/zinc/51/81/50/423518150.db2.gz XPRSNQAUPOFAJO-LURJTMIESA-N -2 0 312.376 1.531 20 0 DDADRL C[C@@H]1CCCN(C(=O)c2ccc(OCC(=O)[O-])cc2)[C@@H]1C(=O)[O-] ZINC000659765288 424234776 /nfs/dbraw/zinc/23/47/76/424234776.db2.gz VKNOBUBDQJBRGU-YGRLFVJLSA-N -2 0 321.329 1.475 20 0 DDADRL CC(C)[C@H](CNC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000655565564 424572899 /nfs/dbraw/zinc/57/28/99/424572899.db2.gz KGQSWOIRHJXNAE-LBPRGKRZSA-N -2 0 317.345 1.665 20 0 DDADRL C[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(=O)[O-] ZINC000655882581 424691138 /nfs/dbraw/zinc/69/11/38/424691138.db2.gz JMFGSKYFTWPSRG-XFWSIPNHSA-N -2 0 300.355 1.142 20 0 DDADRL Cc1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1C(=O)[O-] ZINC000342281627 271365289 /nfs/dbraw/zinc/36/52/89/271365289.db2.gz OTPQVVBKNAASOE-UHFFFAOYSA-N -3 0 324.314 1.520 20 0 DDADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCCCCC(=O)[O-])C1 ZINC000422591718 297214319 /nfs/dbraw/zinc/21/43/19/297214319.db2.gz RKUKUPZJDGIIHY-GHMZBOCLSA-N -2 0 300.355 1.384 20 0 DDADRL Cc1n[n-]c(=NC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000555760410 303722504 /nfs/dbraw/zinc/72/25/04/303722504.db2.gz UZRCXZQHZOGWLJ-VIFPVBQESA-N -2 0 320.374 1.776 20 0 DDADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2cccnc2)cc1 ZINC000560418522 303811024 /nfs/dbraw/zinc/81/10/24/303811024.db2.gz BPFSUCGKPGKQGW-UHFFFAOYSA-N -2 0 322.342 1.736 20 0 DDADRL O=C([O-])C1(NC(=O)c2cc(F)c(F)c([O-])c2F)CCOCC1 ZINC000317457760 484389999 /nfs/dbraw/zinc/38/99/99/484389999.db2.gz UTXUTGGCVDDHFS-UHFFFAOYSA-N -2 0 319.235 1.173 20 0 DDADRL CCCN(CC(=O)[O-])C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000663027256 484609176 /nfs/dbraw/zinc/60/91/76/484609176.db2.gz RFZMKJQCDFSNEI-UHFFFAOYSA-N -2 0 321.308 1.654 20 0 DDADRL CCN(C(=O)c1nn(-c2ccccc2)cc1[O-])[C@H](C)C(=O)[O-] ZINC000663124496 484686910 /nfs/dbraw/zinc/68/69/10/484686910.db2.gz PIBINPUSOXCKBY-SNVBAGLBSA-N -2 0 303.318 1.513 20 0 DDADRL CN(CCC(=O)[O-])C(=O)c1cccc(Br)c1[O-] ZINC000737991536 597013259 /nfs/dbraw/zinc/01/32/59/597013259.db2.gz PNAAPBVHPOTGOY-UHFFFAOYSA-N -2 0 302.124 1.701 20 0 DDADRL O=C([O-])[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000739545767 599727719 /nfs/dbraw/zinc/72/77/19/599727719.db2.gz BWJUCCNRJIGMEO-OLZOCXBDSA-N -2 0 323.370 1.091 20 0 DDADRL CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000737049806 599727876 /nfs/dbraw/zinc/72/78/76/599727876.db2.gz DSTIYUGRAQCMNM-RYUDHWBXSA-N -2 0 311.359 1.165 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000738249446 600003497 /nfs/dbraw/zinc/00/34/97/600003497.db2.gz RZWDEIHAPZTQPP-UHFFFAOYSA-N -2 0 321.318 1.093 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccn(C)n2)sc1C(=O)[O-] ZINC000738241316 600094173 /nfs/dbraw/zinc/09/41/73/600094173.db2.gz WYFWOMVQGWMKSJ-UHFFFAOYSA-N -2 0 301.349 1.289 20 0 DDADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)CCC1CC1 ZINC000739225999 600202751 /nfs/dbraw/zinc/20/27/51/600202751.db2.gz SWPGBBIUMPEVEH-UHFFFAOYSA-N -2 0 303.361 1.441 20 0 DDADRL O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)c2c[nH]cn2)c1 ZINC000166567419 600256228 /nfs/dbraw/zinc/25/62/28/600256228.db2.gz UVMLKZMNJUWABW-UHFFFAOYSA-N -2 0 301.711 1.562 20 0 DDADRL C[C@H](CC(=O)[O-])SCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000736553507 600584493 /nfs/dbraw/zinc/58/44/93/600584493.db2.gz XZXLWNLSEMHGBO-MRVPVSSYSA-N -2 0 314.388 1.605 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000830429749 601782482 /nfs/dbraw/zinc/78/24/82/601782482.db2.gz MXZCTYNLFFISJJ-UHFFFAOYSA-N -2 0 324.362 1.818 20 0 DDADRL Cc1nc(C)c(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])s1 ZINC000832995466 601847960 /nfs/dbraw/zinc/84/79/60/601847960.db2.gz AMTAEPRDGVZTMM-UHFFFAOYSA-N -2 0 313.360 1.654 20 0 DDADRL Cn1c(Cl)ncc1S(=O)(=O)[N-]c1ccsc1C(=O)[O-] ZINC000833039665 601862545 /nfs/dbraw/zinc/86/25/45/601862545.db2.gz QFUFDZOSKXNIGQ-UHFFFAOYSA-N -2 0 321.767 1.634 20 0 DDADRL C[C@]1(C(=O)[O-])CCN(Cc2c([O-])nnn2-c2ccccc2)C1 ZINC000828029071 601893528 /nfs/dbraw/zinc/89/35/28/601893528.db2.gz OZRHRVMKVBTJQK-HNNXBMFYSA-N -2 0 302.334 1.270 20 0 DDADRL O=C([O-])Nc1cc(C(=O)Nc2nn[nH]n2)cc(C(F)(F)F)c1 ZINC000833282936 602015084 /nfs/dbraw/zinc/01/50/84/602015084.db2.gz AVZGFWJXBPWXNB-UHFFFAOYSA-N -2 0 316.199 1.561 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CC(C)(C)NC(=O)[O-])cc1 ZINC000740145664 603161061 /nfs/dbraw/zinc/16/10/61/603161061.db2.gz AFXCUBNEFRWUDC-UHFFFAOYSA-N -2 0 314.363 1.236 20 0 DDADRL C[C@@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1 ZINC000825449791 603400581 /nfs/dbraw/zinc/40/05/81/603400581.db2.gz ZOAWKTHZSHXNSB-MRVPVSSYSA-N -2 0 310.335 1.539 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc([C@H](C)NC(=O)[O-])cc2)c[nH]1 ZINC000830812386 603401696 /nfs/dbraw/zinc/40/16/96/603401696.db2.gz DVKMCYFZYBRJMN-QMMMGPOBSA-N -2 0 324.362 1.848 20 0 DDADRL CC1=C(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CCC1 ZINC000833575831 604882769 /nfs/dbraw/zinc/88/27/69/604882769.db2.gz MSVZLPFMCRQWOF-UHFFFAOYSA-N -2 0 323.370 1.831 20 0 DDADRL C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1)C1CCCC1 ZINC000823701372 605273385 /nfs/dbraw/zinc/27/33/85/605273385.db2.gz DGAIRCOXSZTPCU-MWLCHTKSSA-N -2 0 318.395 1.011 20 0 DDADRL O=C([O-])N1CC[C@H](NC(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000831590066 605588171 /nfs/dbraw/zinc/58/81/71/605588171.db2.gz ASXCMVARVCBWTA-ZETCQYMHSA-N -2 0 302.689 1.667 20 0 DDADRL O=C([O-])NCCCCC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000834234324 605921419 /nfs/dbraw/zinc/92/14/19/605921419.db2.gz CDDZHADXXPFDIR-UHFFFAOYSA-N -2 0 320.305 1.406 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000834170713 606029029 /nfs/dbraw/zinc/02/90/29/606029029.db2.gz AYLIOTPMWCVLEP-NWDGAFQWSA-N -2 0 306.318 1.437 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000834059920 606031225 /nfs/dbraw/zinc/03/12/25/606031225.db2.gz VHGSKEFIXRANBF-YFKTTZPYSA-N -2 0 310.350 1.231 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)C1 ZINC000834162253 606031696 /nfs/dbraw/zinc/03/16/96/606031696.db2.gz BZAWLXCEPRDWNR-FHUSYTEZSA-N -2 0 324.377 1.667 20 0 DDADRL C[C@@H](C(=O)[O-])N(C)C(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC000833792016 606050833 /nfs/dbraw/zinc/05/08/33/606050833.db2.gz XVTPICUAMCFYPJ-CMPLNLGQSA-N -2 0 308.334 1.187 20 0 DDADRL O=C([O-])c1cc(NC(=O)CN(CC2CC2)C(=O)[O-])ccc1F ZINC000834005795 606055260 /nfs/dbraw/zinc/05/52/60/606055260.db2.gz GZEBENAHFBUVAQ-UHFFFAOYSA-N -2 0 310.281 1.852 20 0 DDADRL O=C([O-])N[C@H](CC(=O)N1CC[C@@](F)(C(=O)[O-])C1)c1ccccc1 ZINC000834119211 606066850 /nfs/dbraw/zinc/06/68/50/606066850.db2.gz BAFKXNAADNACMB-ABAIWWIYSA-N -2 0 324.308 1.411 20 0 DDADRL CCCCC[C@H](NC(=O)C[C@@H]1CCCN1C(=O)[O-])C(=O)[O-] ZINC000833853510 606067754 /nfs/dbraw/zinc/06/77/54/606067754.db2.gz QHOHKYCKYVHBLH-QWRGUYRKSA-N -2 0 300.355 1.669 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1 ZINC000834060597 606113518 /nfs/dbraw/zinc/11/35/18/606113518.db2.gz SHVMDGKGQDXLGE-SNVBAGLBSA-N -2 0 316.379 1.143 20 0 DDADRL C[C@@H]1CN(C(=O)c2cc(F)c(F)c([O-])c2F)CC[C@@H]1C(=O)[O-] ZINC000318984273 698708494 /nfs/dbraw/zinc/70/84/94/698708494.db2.gz JGZUAVMEDGZJSU-RQJHMYQMSA-N -2 0 317.263 1.992 20 0 DDADRL O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000713512165 699266583 /nfs/dbraw/zinc/26/65/83/699266583.db2.gz UKYXQVRKHAKHGS-QMMMGPOBSA-N -2 0 305.664 1.980 20 0 DDADRL O=C(Nn1c(=O)[n-][nH]c1=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000816731831 702168430 /nfs/dbraw/zinc/16/84/30/702168430.db2.gz HGVCUVHKCBGZRR-UHFFFAOYSA-N -2 0 320.692 1.585 20 0 DDADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000863952204 706044754 /nfs/dbraw/zinc/04/47/54/706044754.db2.gz OBVXFXKRYHNCCK-MRVPVSSYSA-N -2 0 305.377 1.300 20 0 DDADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1Cl)C1CC1 ZINC000863952831 706044948 /nfs/dbraw/zinc/04/49/48/706044948.db2.gz FGCYJFOSCRHBOJ-JTQLQIEISA-N -2 0 317.750 1.256 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])cc1Cl ZINC000863956773 706046230 /nfs/dbraw/zinc/04/62/30/706046230.db2.gz OBQJZWZLPNMCMI-UHFFFAOYSA-N -2 0 319.766 1.564 20 0 DDADRL Cc1ccsc1S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-] ZINC000863961832 706046970 /nfs/dbraw/zinc/04/69/70/706046970.db2.gz RPTZEGOTZGXVQH-UHFFFAOYSA-N -2 0 305.377 1.506 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)/C=C\c2cccc(F)c2)C1 ZINC000910184722 709801739 /nfs/dbraw/zinc/80/17/39/709801739.db2.gz FCKPCDHRBPHOQC-WFXONIBUSA-N -2 0 321.304 1.615 20 0 DDADRL CC(C)(C)SCC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910186054 709802650 /nfs/dbraw/zinc/80/26/50/709802650.db2.gz MRSJKCDTIVNDSI-DTWKUNHWSA-N -2 0 303.380 1.295 20 0 DDADRL Cc1ccc(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])s1 ZINC000910189275 709804105 /nfs/dbraw/zinc/80/41/05/709804105.db2.gz RUXSVFVWCWEMGL-GXSJLCMTSA-N -2 0 311.359 1.375 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]2Cc3ccccc32)C1 ZINC000910192452 709805544 /nfs/dbraw/zinc/80/55/44/709805544.db2.gz QJERJRAMEONPOE-RTXFEEFZSA-N -2 0 303.314 1.103 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000902109232 710617963 /nfs/dbraw/zinc/61/79/63/710617963.db2.gz HWVYGFBIOSEISJ-QPUJVOFHSA-N -2 0 324.299 1.155 20 0 DDADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000906000468 712216641 /nfs/dbraw/zinc/21/66/41/712216641.db2.gz ZHDUFVOZAGPYDB-ZJUUUORDSA-N -2 0 323.292 1.321 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CC(=O)[O-])C1CCCC1 ZINC000906005788 712218767 /nfs/dbraw/zinc/21/87/67/712218767.db2.gz VJEGWNLYGQHJIK-VXNVDRBHSA-N -2 0 317.329 1.890 20 0 DDADRL O=C([O-])C1=CC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000694941956 736459062 /nfs/dbraw/zinc/45/90/62/736459062.db2.gz HRPFXFKNHXBYQZ-MRVPVSSYSA-N -2 0 303.286 1.417 20 0 DDADRL O=C(Cc1ccc(O)cc1F)NCCCC[P@@](=O)([O-])O ZINC001180651454 742873962 /nfs/dbraw/zinc/87/39/62/742873962.db2.gz GFCKXTGANMZPTO-UHFFFAOYSA-N -2 0 305.242 1.148 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2c(C)ncnc2C)cc1C(=O)[O-] ZINC001184664680 744080383 /nfs/dbraw/zinc/08/03/83/744080383.db2.gz QYOLAHOBWFEOEX-UHFFFAOYSA-N -2 0 321.358 1.901 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cccnc2CO)cc1C(=O)[O-] ZINC001184668661 744080895 /nfs/dbraw/zinc/08/08/95/744080895.db2.gz WCBVUMPCBXIBLJ-UHFFFAOYSA-N -2 0 322.342 1.381 20 0 DDADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CC2(C1)CCCO2 ZINC001189871360 745008999 /nfs/dbraw/zinc/00/89/99/745008999.db2.gz NGMPSIRCXWRUKG-UHFFFAOYSA-N -2 0 313.246 1.163 20 0 DDADRL O=C([O-])c1sccc1-c1ccc2c(c1)C(=O)[N-]S2(=O)=O ZINC001205572531 745627700 /nfs/dbraw/zinc/62/77/00/745627700.db2.gz LOVGICVRQYZESM-UHFFFAOYSA-N -2 0 309.324 1.545 20 0 DDADRL O=C(NCCCC[P@](=O)([O-])O)N[C@@H]1CCc2ccccc21 ZINC001193012030 745959658 /nfs/dbraw/zinc/95/96/58/745959658.db2.gz VTOKLKOKWYJJIZ-CYBMUJFWSA-N -2 0 312.306 1.931 20 0 DDADRL O=C(N[C@@H]1SC(=O)[N-]C1=O)c1cc(Cl)c(F)cc1[O-] ZINC001196468327 746869548 /nfs/dbraw/zinc/86/95/48/746869548.db2.gz YANHOOHXFCNMBA-SECBINFHSA-N -2 0 304.686 1.224 20 0 DDADRL COc1cccc(CS(=O)(=O)[N-]c2ncc(F)cc2[O-])c1 ZINC001197348942 747134684 /nfs/dbraw/zinc/13/46/84/747134684.db2.gz SHSKEPCEMIPSJT-UHFFFAOYSA-N -2 0 312.322 1.877 20 0 DDADRL O=P([O-])([O-])OCCNc1ncnc2cc(F)c(F)cc21 ZINC001168586279 751176765 /nfs/dbraw/zinc/17/67/65/751176765.db2.gz HOIXZWCRFYYZSD-UHFFFAOYSA-N -2 0 305.177 1.429 20 0 DDADRL Cc1nc(Cl)nc(NCCOP(=O)([O-])[O-])c1C1CC1 ZINC001168590973 751214830 /nfs/dbraw/zinc/21/48/30/751214830.db2.gz FGMRGLOBWLUELY-UHFFFAOYSA-N -2 0 307.674 1.837 20 0 DDADRL COC(=O)c1ccc(NCCOP(=O)([O-])[O-])c(C)c1C ZINC001168596666 751273766 /nfs/dbraw/zinc/27/37/66/751273766.db2.gz XBVTYKIQMQDRGY-UHFFFAOYSA-N -2 0 303.251 1.611 20 0 DDADRL Cc1cccc(N)c1NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926656 773652765 /nfs/dbraw/zinc/65/27/65/773652765.db2.gz QUEXZQHZDNQSTC-UHFFFAOYSA-N -2 0 322.342 1.782 20 0 DDADRL Cn1ncc2c1ncnc2Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236233 778087273 /nfs/dbraw/zinc/08/72/73/778087273.db2.gz JEJMTRUDYFOISS-UHFFFAOYSA-N -2 0 313.273 1.503 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC001330252524 864189833 /nfs/dbraw/zinc/18/98/33/864189833.db2.gz HTZUNMJPZAGSPV-JTQLQIEISA-N -2 0 319.766 1.502 20 0 DDADRL COC(=O)C1=NC(C(=O)OC)C([O-])=C1O[C@@H](C)C1=CC=C[CH]1 ZINC001234356070 887901018 /nfs/dbraw/zinc/90/10/18/887901018.db2.gz XLFXWKPLJOYQOC-QMMMGPOBSA-N -2 0 306.294 1.761 20 0 DDADRL Cc1cc(-c2ccc3c(c2)C(=O)[N-]S3(=O)=O)ccc1C(=O)[O-] ZINC001243213844 891622589 /nfs/dbraw/zinc/62/25/89/891622589.db2.gz BRHOTCLTARJOIL-UHFFFAOYSA-N -2 0 317.322 1.792 20 0 DDADRL COC(=O)c1cc(OC)cc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001245360708 892097700 /nfs/dbraw/zinc/09/77/00/892097700.db2.gz JCWBWKCWYMIUDA-UHFFFAOYSA-N -2 0 322.253 1.952 20 0 DDADRL O=P([O-])([O-])OCCNC(=S)Nc1cc(F)ccc1F ZINC001248614498 893658942 /nfs/dbraw/zinc/65/89/42/893658942.db2.gz OGBYSODNXJPHNK-UHFFFAOYSA-N -2 0 312.234 1.361 20 0 DDADRL COc1nc(C)ncc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260183931 899075710 /nfs/dbraw/zinc/07/57/10/899075710.db2.gz JDDIFZOOKWBQIY-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)nc(F)c2)c1 ZINC001260183850 899076417 /nfs/dbraw/zinc/07/64/17/899076417.db2.gz DQIRRVNESDWERF-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn3cccnc23)cc1 ZINC001260221102 899092600 /nfs/dbraw/zinc/09/26/00/899092600.db2.gz AKFNXQIEAAFWJX-UHFFFAOYSA-N -2 0 318.314 1.228 20 0 DDADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n[nH]1 ZINC000134961150 539193094 /nfs/dbraw/zinc/19/30/94/539193094.db2.gz KLZQXXZDJFVFGD-UHFFFAOYSA-N -2 0 312.351 1.534 20 0 DDADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000091022029 353804649 /nfs/dbraw/zinc/80/46/49/353804649.db2.gz DTLGSCSLTCXALR-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000123917459 354035446 /nfs/dbraw/zinc/03/54/46/354035446.db2.gz FTIZWUFNDVEPHU-QMMMGPOBSA-N -2 0 307.318 1.744 20 0 DDADRL CCSCc1ccc(C(=O)N=c2ncn(CC(=O)[O-])[n-]2)cc1 ZINC000592468513 355591813 /nfs/dbraw/zinc/59/18/13/355591813.db2.gz AYWXFXRZYKNQPE-UHFFFAOYSA-N -2 0 320.374 1.290 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000566234279 304131314 /nfs/dbraw/zinc/13/13/14/304131314.db2.gz GLWQMIOGXGRQMY-ZFWWWQNUSA-N -2 0 321.373 1.936 20 0 DDADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c[nH]1 ZINC000350730280 284250653 /nfs/dbraw/zinc/25/06/53/284250653.db2.gz RPOZCJORUBSQOM-UHFFFAOYSA-N -2 0 324.314 1.300 20 0 DDADRL C[C@H](C[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000569608554 304368818 /nfs/dbraw/zinc/36/88/18/304368818.db2.gz CQUOGRNEIDSTDF-SCSAIBSYSA-N -2 0 315.244 1.242 20 0 DDADRL C[C@@H](CCNS(=O)(=O)c1ccc(F)c(F)c1)CC(=O)[O-] ZINC000274953766 408573293 /nfs/dbraw/zinc/57/32/93/408573293.db2.gz GTOSFYJVDOBARD-QMMMGPOBSA-N -2 0 307.318 1.744 20 0 DDADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(C(C)C)n1 ZINC000280920477 408859175 /nfs/dbraw/zinc/85/91/75/408859175.db2.gz HGVSDHZDBXNIMU-UHFFFAOYSA-N -2 0 313.335 1.864 20 0 DDADRL O=C(N=c1[n-]ncs1)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000339812645 410476799 /nfs/dbraw/zinc/47/67/99/410476799.db2.gz ATNYQLGSTXWTLO-UHFFFAOYSA-N -2 0 305.294 1.243 20 0 DDADRL O=C([O-])CCCNC(=O)c1cc(C(=O)[O-])n(-c2ccccc2)n1 ZINC000436046126 420302452 /nfs/dbraw/zinc/30/24/52/420302452.db2.gz ALUZNMAXNTWXKU-UHFFFAOYSA-N -2 0 317.301 1.165 20 0 DDADRL C[C@](CNS(=O)(=O)CCC1CCCC1)(CC(=O)[O-])C(=O)[O-] ZINC000516546142 421549994 /nfs/dbraw/zinc/54/99/94/421549994.db2.gz OPSHQORJOYFEHG-CYBMUJFWSA-N -2 0 321.395 1.052 20 0 DDADRL CCCc1n[n-]c(=NC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)s1 ZINC000630555466 422177307 /nfs/dbraw/zinc/17/73/07/422177307.db2.gz AWYATYIGNUDYRY-IUCAKERBSA-N -2 0 312.395 1.487 20 0 DDADRL COCc1nc(=N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)s[n-]1 ZINC000649403354 423864375 /nfs/dbraw/zinc/86/43/75/423864375.db2.gz AYCKATPJLACZNH-QWRGUYRKSA-N -2 0 305.359 1.832 20 0 DDADRL O=C([O-])COc1cccc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000659761859 424229434 /nfs/dbraw/zinc/22/94/34/424229434.db2.gz JISPYNGJRIWEIT-NSHDSACASA-N -2 0 321.329 1.477 20 0 DDADRL C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655574171 424578572 /nfs/dbraw/zinc/57/85/72/424578572.db2.gz KPRUAOCJIHIRGA-INTQDDNPSA-N -2 0 320.345 1.645 20 0 DDADRL CC(C)C[C@H](CNC(=O)NC[C@H](C(=O)[O-])C(C)C)C(=O)[O-] ZINC000655879930 424689742 /nfs/dbraw/zinc/68/97/42/424689742.db2.gz STQHHXFZEZCFLY-MNOVXSKESA-N -2 0 302.371 1.389 20 0 DDADRL CCCN(CC(=O)[O-])c1cc(N(CCC)CC(=O)[O-])ncn1 ZINC000662877484 424795871 /nfs/dbraw/zinc/79/58/71/424795871.db2.gz DFHAFBCBXGLYPL-UHFFFAOYSA-N -2 0 310.354 1.079 20 0 DDADRL O=C(CSc1n[nH]c(=O)[n-]1)Nc1cc(Cl)c([O-])cc1F ZINC000345700381 272307937 /nfs/dbraw/zinc/30/79/37/272307937.db2.gz BOXOXVZCYXQXHW-UHFFFAOYSA-N -2 0 318.717 1.739 20 0 DDADRL C[C@H](C(=O)[O-])N(C)C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000514704811 302739533 /nfs/dbraw/zinc/73/95/33/302739533.db2.gz BJAVHBZYGFOZLK-MRVPVSSYSA-N -2 0 307.281 1.262 20 0 DDADRL CN(CCC(=O)[O-])C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000559216087 303787871 /nfs/dbraw/zinc/78/78/71/303787871.db2.gz MFZUBSBIBANNRK-UHFFFAOYSA-N -2 0 307.281 1.264 20 0 DDADRL COCCc1nc(=NCCc2ccc(C(=O)[O-])cc2)s[n-]1 ZINC000571287034 308193824 /nfs/dbraw/zinc/19/38/24/308193824.db2.gz BEJDUYRUCNXGKF-UHFFFAOYSA-N -2 0 307.375 1.502 20 0 DDADRL Cc1n[n-]c(=NC(=O)N(CC(=O)[O-])Cc2ccccc2)s1 ZINC000573204923 308233990 /nfs/dbraw/zinc/23/39/90/308233990.db2.gz WFBNICFGCRUJMD-UHFFFAOYSA-N -2 0 306.347 1.387 20 0 DDADRL Cc1c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)cnn1C ZINC000577165716 308367199 /nfs/dbraw/zinc/36/71/99/308367199.db2.gz GBXAGLQCXMRMJB-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000579548102 308538719 /nfs/dbraw/zinc/53/87/19/308538719.db2.gz IESRQGOIYLEURV-VHSXEESVSA-N -2 0 309.384 1.050 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000399449684 337312576 /nfs/dbraw/zinc/31/25/76/337312576.db2.gz MTEXTQFQPMNZEX-LDYMZIIASA-N -2 0 321.345 1.988 20 0 DDADRL O=C([O-])[C@H](CCF)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000656163093 483987621 /nfs/dbraw/zinc/98/76/21/483987621.db2.gz NKCVTTXKEMCEMM-QMMMGPOBSA-N -2 0 315.244 1.195 20 0 DDADRL C[C@H]1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000663058007 484633973 /nfs/dbraw/zinc/63/39/73/484633973.db2.gz LVVGONQXDXHPPA-GXFFZTMASA-N -2 0 321.329 1.333 20 0 DDADRL C[C@](CNC(=O)C1(C(=O)[O-])CCC1)(C(=O)[O-])c1ccccc1 ZINC000663117874 484682038 /nfs/dbraw/zinc/68/20/38/484682038.db2.gz BTEMVEYFLZGENM-OAHLLOKOSA-N -2 0 305.330 1.400 20 0 DDADRL C[C@](CNC(=O)[C@@H](C(=O)[O-])C1CC1)(C(=O)[O-])c1ccccc1 ZINC000663121437 484685125 /nfs/dbraw/zinc/68/51/25/484685125.db2.gz YTWMNYCUVIBXOM-BLLLJJGKSA-N -2 0 305.330 1.256 20 0 DDADRL O=C([O-])CC1(NC(=O)c2ccc(C(=O)[O-])cc2)CCOCC1 ZINC000663122217 484686210 /nfs/dbraw/zinc/68/62/10/484686210.db2.gz CRMGKNOBZJFTSM-UHFFFAOYSA-N -2 0 307.302 1.139 20 0 DDADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)n1 ZINC000663138960 484697325 /nfs/dbraw/zinc/69/73/25/484697325.db2.gz SPNPJSWCZXZZAU-HNNXBMFYSA-N -2 0 321.333 1.452 20 0 DDADRL O=C([O-])c1ccc(CNC(=O)C[C@]2(C(=O)[O-])CCSC2)cc1 ZINC000819135149 597205459 /nfs/dbraw/zinc/20/54/59/597205459.db2.gz KFTLKEZCBGKQRJ-OAHLLOKOSA-N -2 0 323.370 1.599 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c2C(=O)NC3)o1 ZINC000740187761 599736950 /nfs/dbraw/zinc/73/69/50/599736950.db2.gz UOCSRKLCTHXRRG-UHFFFAOYSA-N -2 0 322.298 1.022 20 0 DDADRL O=C([O-])NCCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000739957561 599797663 /nfs/dbraw/zinc/79/76/63/599797663.db2.gz WBFGTIVVOAYJIO-UHFFFAOYSA-N -2 0 320.754 1.193 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c(F)c1 ZINC000738654455 599851564 /nfs/dbraw/zinc/85/15/64/599851564.db2.gz ACUOCNKABJJJCJ-UHFFFAOYSA-N -2 0 313.310 1.216 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)cn1C ZINC000738362522 600023730 /nfs/dbraw/zinc/02/37/30/600023730.db2.gz TULYJVPUKRQFLZ-UHFFFAOYSA-N -2 0 324.362 1.644 20 0 DDADRL CS[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000738181569 600056801 /nfs/dbraw/zinc/05/68/01/600056801.db2.gz LSSXLLKEQOHJCP-RXMQYKEDSA-N -2 0 309.390 1.003 20 0 DDADRL Cc1nn(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1C ZINC000738375845 600126919 /nfs/dbraw/zinc/12/69/19/600126919.db2.gz SCLFRFSFRPYVMY-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CC(C)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000314381084 600673369 /nfs/dbraw/zinc/67/33/69/600673369.db2.gz AYLIDVCFNSGIOD-UHFFFAOYSA-N -2 0 323.374 1.892 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)nc1 ZINC000832419540 600985838 /nfs/dbraw/zinc/98/58/38/600985838.db2.gz KXWUWBVIONZGTD-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccn(CC(F)F)n2)o1 ZINC000833324544 601206230 /nfs/dbraw/zinc/20/62/30/601206230.db2.gz UXTGKFJJCUNGMR-UHFFFAOYSA-N -2 0 321.261 1.240 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)nc1 ZINC000832413322 601230424 /nfs/dbraw/zinc/23/04/24/601230424.db2.gz PQVYPVYRKNOUBD-UHFFFAOYSA-N -2 0 312.303 1.491 20 0 DDADRL Cc1oc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)cc1C(=O)[O-] ZINC000833029624 601231434 /nfs/dbraw/zinc/23/14/34/601231434.db2.gz JIFCYJFAZLKTEM-UHFFFAOYSA-N -2 0 321.314 1.963 20 0 DDADRL Cn1cc(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1C(=O)[O-] ZINC000833048733 601323133 /nfs/dbraw/zinc/32/31/33/601323133.db2.gz DXWGCZNMPPZDPC-UHFFFAOYSA-N -2 0 311.297 1.817 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)no1 ZINC000830223943 601362370 /nfs/dbraw/zinc/36/23/70/601362370.db2.gz ASGIWPGKGSADCS-UHFFFAOYSA-N -2 0 302.333 1.798 20 0 DDADRL CCCc1nnc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)s1 ZINC000829573942 601502224 /nfs/dbraw/zinc/50/22/24/601502224.db2.gz LSPWHSFEJVUPLJ-UHFFFAOYSA-N -2 0 316.364 1.318 20 0 DDADRL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C1CC1 ZINC000137198685 601613439 /nfs/dbraw/zinc/61/34/39/601613439.db2.gz KYJRLFWACRGVEO-SNVBAGLBSA-N -2 0 323.292 1.636 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000833052820 601785365 /nfs/dbraw/zinc/78/53/65/601785365.db2.gz KUKYUBAJDZRGFC-UHFFFAOYSA-N -2 0 316.285 1.802 20 0 DDADRL CC(C)c1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])n[nH]1 ZINC000827113206 601850633 /nfs/dbraw/zinc/85/06/33/601850633.db2.gz XXGJFWZDDOSUSX-UHFFFAOYSA-N -2 0 316.364 1.489 20 0 DDADRL CCOC[C@H](C(=O)[O-])N(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000829973064 602081085 /nfs/dbraw/zinc/08/10/85/602081085.db2.gz QTOKEWNZIXVNRD-SNVBAGLBSA-N -2 0 324.358 1.678 20 0 DDADRL CCCCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[nH]n1 ZINC000829430574 602102887 /nfs/dbraw/zinc/10/28/87/602102887.db2.gz DGCCXDWYYSZXJN-UHFFFAOYSA-N -2 0 313.335 1.844 20 0 DDADRL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1C ZINC000314894852 602211452 /nfs/dbraw/zinc/21/14/52/602211452.db2.gz HFPNSPUUQBTQFV-UHFFFAOYSA-N -2 0 309.347 1.834 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)c[nH]1 ZINC000833303974 602308675 /nfs/dbraw/zinc/30/86/75/602308675.db2.gz BXCKPQVJZQMABQ-UHFFFAOYSA-N -2 0 324.362 1.894 20 0 DDADRL C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1c([O-])cc(F)cc1F ZINC000739155250 602424690 /nfs/dbraw/zinc/42/46/90/602424690.db2.gz RYLBRLZZTHJWAU-SSDOTTSWSA-N -2 0 300.261 1.495 20 0 DDADRL CC(C)(NC(=O)[O-])C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000736333304 602473003 /nfs/dbraw/zinc/47/30/03/602473003.db2.gz QFFQAHKHBOTOHU-UHFFFAOYSA-N -2 0 306.278 1.015 20 0 DDADRL CN(Cc1cccc([N-]S(=O)(=O)c2cccnc2)c1)C(=O)[O-] ZINC000739711873 602655340 /nfs/dbraw/zinc/65/53/40/602655340.db2.gz HBSFLCALQMDTDZ-UHFFFAOYSA-N -2 0 321.358 1.992 20 0 DDADRL CC(C)(CNC(=O)[O-])NC(=O)c1nnc2ccccc2c1O ZINC000738752604 603057805 /nfs/dbraw/zinc/05/78/05/603057805.db2.gz NDFDLMNQHOBZAE-UHFFFAOYSA-N -2 0 304.306 1.111 20 0 DDADRL O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)c1c([O-])cc(F)cc1F ZINC000832482479 603910257 /nfs/dbraw/zinc/91/02/57/603910257.db2.gz OBLBXZGGSLVGJR-OIBJUYFYSA-N -2 0 314.288 1.837 20 0 DDADRL C[C@@H](CN(C)C(=O)[O-])C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000824874512 604144201 /nfs/dbraw/zinc/14/42/01/604144201.db2.gz RXNLNPDURFUVNY-QMMMGPOBSA-N -2 0 320.305 1.214 20 0 DDADRL C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000825881504 605274514 /nfs/dbraw/zinc/27/45/14/605274514.db2.gz WTXYAJXCYGOEOS-VWYCJHECSA-N -2 0 318.395 1.011 20 0 DDADRL C[C@@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000825874028 605283429 /nfs/dbraw/zinc/28/34/29/605283429.db2.gz YOKSKRHLIXFSMQ-OUAUKWLOSA-N -2 0 318.395 1.011 20 0 DDADRL Cc1cc(C(=O)[N-]S(=O)(=O)CC2CC2)ccc1NC(=O)[O-] ZINC000829962211 605421341 /nfs/dbraw/zinc/42/13/41/605421341.db2.gz XBDHDJIHXQBNHM-UHFFFAOYSA-N -2 0 312.347 1.555 20 0 DDADRL O=C([O-])N1CCOC[C@@H]1C(=O)Nc1cc(Cl)ccc1O ZINC000834052206 605533661 /nfs/dbraw/zinc/53/36/61/605533661.db2.gz KTYOJMSEPLQFJF-SECBINFHSA-N -2 0 300.698 1.363 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000834065385 605689516 /nfs/dbraw/zinc/68/95/16/605689516.db2.gz LQYNWQXXYKVPEL-SECBINFHSA-N -2 0 308.290 1.088 20 0 DDADRL O=C([O-])N1CCOC[C@@H]1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000831777815 605797566 /nfs/dbraw/zinc/79/75/66/605797566.db2.gz FTDWYSOZCYXKTA-SECBINFHSA-N -2 0 323.330 1.434 20 0 DDADRL O=C([O-])Cc1csc(NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)n1 ZINC000834069292 606027905 /nfs/dbraw/zinc/02/79/05/606027905.db2.gz RJRNAKFBEGKYMG-BQBZGAKWSA-N -2 0 313.335 1.145 20 0 DDADRL O=C([O-])c1ccc(NC(=O)[C@H]2CCCN(C(=O)[O-])C2)cc1F ZINC000834283529 606065479 /nfs/dbraw/zinc/06/54/79/606065479.db2.gz QFEZQBJYCQAWPW-QMMMGPOBSA-N -2 0 310.281 1.852 20 0 DDADRL CCCCC[C@@H](NC(=O)C1CCN(C(=O)[O-])CC1)C(=O)[O-] ZINC000833854573 606067715 /nfs/dbraw/zinc/06/77/15/606067715.db2.gz ZRYSUTNPCIKHMD-LLVKDONJSA-N -2 0 300.355 1.526 20 0 DDADRL O=C([O-])[C@@H](NC(=O)C1CCN(C(=O)[O-])CC1)c1ccccc1F ZINC000834014669 606068149 /nfs/dbraw/zinc/06/81/49/606068149.db2.gz MIKNEASQWVRXKP-LBPRGKRZSA-N -2 0 324.308 1.458 20 0 DDADRL O=C([O-])N[C@@H](CC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000834120543 606112149 /nfs/dbraw/zinc/11/21/49/606112149.db2.gz HSNOYUFFMZBWBH-NEPJUHHUSA-N -2 0 306.318 1.319 20 0 DDADRL CCCCCC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000058637672 696305189 /nfs/dbraw/zinc/30/51/89/696305189.db2.gz YIWYHZIDDVKDCO-UHFFFAOYSA-N -2 0 316.361 1.919 20 0 DDADRL CC[C@H](C)N(CC(=O)[O-])C(=O)c1nnc2ccccc2c1O ZINC000236945620 697801406 /nfs/dbraw/zinc/80/14/06/697801406.db2.gz PLSKQIDVPJOTQV-VIFPVBQESA-N -2 0 303.318 1.248 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCc1ccccc1F ZINC000739693575 699777574 /nfs/dbraw/zinc/77/75/74/699777574.db2.gz ZRSKGGZBNKIDKH-UHFFFAOYSA-N -2 0 317.338 1.069 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000816733444 702168996 /nfs/dbraw/zinc/16/89/96/702168996.db2.gz XDQUTTWEGMRMTG-UHFFFAOYSA-N -2 0 321.680 1.382 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)cc1C ZINC000863952260 706044661 /nfs/dbraw/zinc/04/46/61/706044661.db2.gz PSXIKCYLFDKVFV-LBPRGKRZSA-N -2 0 313.375 1.465 20 0 DDADRL Cc1cccc(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])CC2(C)C)c1 ZINC000863952973 706044975 /nfs/dbraw/zinc/04/49/75/706044975.db2.gz LASPORUOHYDLSW-AWEZNQCLSA-N -2 0 311.359 1.301 20 0 DDADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)C1CC1 ZINC000863952770 706045116 /nfs/dbraw/zinc/04/51/16/706045116.db2.gz HBLCWVFWXDZTKC-JLVNDZCYSA-N -2 0 309.343 1.214 20 0 DDADRL COc1cccc(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])c1 ZINC000863953910 706045346 /nfs/dbraw/zinc/04/53/46/706045346.db2.gz DKHMRZYFTYNDDA-UHFFFAOYSA-N -2 0 315.347 1.145 20 0 DDADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000863956042 706046169 /nfs/dbraw/zinc/04/61/69/706046169.db2.gz HSWLFHQNILQXLG-LLVKDONJSA-N -2 0 303.361 1.054 20 0 DDADRL Cc1cc(C(=O)[O-])cc(C(=O)[N-]S(=O)(=O)CCCF)c1 ZINC000863956971 706046213 /nfs/dbraw/zinc/04/62/13/706046213.db2.gz QQQTZRVUTHKKHF-UHFFFAOYSA-N -2 0 303.311 1.112 20 0 DDADRL Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CC2)c1 ZINC000863959896 706047130 /nfs/dbraw/zinc/04/71/30/706047130.db2.gz RGRKXBTYKUPEJO-GFCCVEGCSA-N -2 0 311.359 1.052 20 0 DDADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)cc1 ZINC000863964052 706047301 /nfs/dbraw/zinc/04/73/01/706047301.db2.gz MQDOGYLKELFEPK-JIMOISOXSA-N -2 0 323.370 1.633 20 0 DDADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)CCC2CCCC2)CC=CC1 ZINC000863963176 706047324 /nfs/dbraw/zinc/04/73/24/706047324.db2.gz NCPIWYWTHRHFCA-UHFFFAOYSA-N -2 0 315.391 1.434 20 0 DDADRL CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1 ZINC000900470679 709611037 /nfs/dbraw/zinc/61/10/37/709611037.db2.gz XUOLCJXNEOMCDE-JKSUJKDBSA-N -2 0 309.362 1.901 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(CF)cc2)C1 ZINC000910181817 709800288 /nfs/dbraw/zinc/80/02/88/709800288.db2.gz GERDWBMSZQLLGP-NEPJUHHUSA-N -2 0 309.293 1.546 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000910183851 709800766 /nfs/dbraw/zinc/80/07/66/709800766.db2.gz ODKQXUZUFLOKNZ-KSSYENDESA-N -2 0 307.346 1.365 20 0 DDADRL CCc1cccc(CC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910183892 709801030 /nfs/dbraw/zinc/80/10/30/709801030.db2.gz OSQPYQMDHJNRFU-ZIAGYGMSSA-N -2 0 319.357 1.568 20 0 DDADRL CCc1ccsc1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910189229 709804073 /nfs/dbraw/zinc/80/40/73/709804073.db2.gz REFYPLHHUIHXHY-ZJUUUORDSA-N -2 0 311.359 1.701 20 0 DDADRL C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccsc1 ZINC000910192504 709805548 /nfs/dbraw/zinc/80/55/48/709805548.db2.gz SANPKIAAWNVSQE-QXEWZRGKSA-N -2 0 311.359 1.628 20 0 DDADRL Cn1[n-]c(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1=O ZINC000901639658 710104964 /nfs/dbraw/zinc/10/49/64/710104964.db2.gz LZPZVCVLOCJSKE-SNVBAGLBSA-N -2 0 301.302 1.344 20 0 DDADRL O=C(c1cc(F)c([O-])c(F)c1)N1CCC(c2nnn[n-]2)CC1 ZINC000913744691 713293257 /nfs/dbraw/zinc/29/32/57/713293257.db2.gz ZUBBADFDCGTWIG-UHFFFAOYSA-N -2 0 309.276 1.203 20 0 DDADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]32)c1 ZINC000907027873 712468713 /nfs/dbraw/zinc/46/87/13/712468713.db2.gz YNNSMSKTKFYIPF-QWRGUYRKSA-N -2 0 311.359 1.654 20 0 DDADRL CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C)C(=O)[O-] ZINC000917058626 713480152 /nfs/dbraw/zinc/48/01/52/713480152.db2.gz SOHSCSMBBJWOFK-JTQLQIEISA-N -2 0 315.347 1.143 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC000923104783 714238352 /nfs/dbraw/zinc/23/83/52/714238352.db2.gz YSSJFEYDMZAIEG-MLGHIDQZSA-N -2 0 309.362 1.589 20 0 DDADRL CCOC(=O)c1cnc(NC(=O)c2c(F)ccc(F)c2[O-])[n-]1 ZINC001192694219 745864827 /nfs/dbraw/zinc/86/48/27/745864827.db2.gz DRYWZAMTUJSQGQ-UHFFFAOYSA-N -2 0 311.244 1.823 20 0 DDADRL Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001195184719 746540347 /nfs/dbraw/zinc/54/03/47/746540347.db2.gz AKJPDHONVYYLBN-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL O=P([O-])([O-])OCCNc1cncc(OC2CCCCC2)n1 ZINC001168589952 751206816 /nfs/dbraw/zinc/20/68/16/751206816.db2.gz RQOHPHDTQKPSQD-UHFFFAOYSA-N -2 0 317.282 1.709 20 0 DDADRL COC(=O)c1nsnc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176239300 778089900 /nfs/dbraw/zinc/08/99/00/778089900.db2.gz OBIQERYTARDJPW-UHFFFAOYSA-N -2 0 323.286 1.465 20 0 DDADRL NC(=O)c1ccccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241521 778092910 /nfs/dbraw/zinc/09/29/10/778092910.db2.gz JUWCHWRZLSNINW-UHFFFAOYSA-N -2 0 300.270 1.926 20 0 DDADRL O=C(CCOc1ccccc1Cl)NCCOP(=O)([O-])[O-] ZINC001182912943 851005534 /nfs/dbraw/zinc/00/55/34/851005534.db2.gz JCPSRCFIIMTCGB-UHFFFAOYSA-N -2 0 323.669 1.334 20 0 DDADRL CCCC[C@H](CC)COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001224708290 881506630 /nfs/dbraw/zinc/50/66/30/881506630.db2.gz ZPBVIKFGYXUHDW-UMNHJUIQSA-N -2 0 304.339 1.282 20 0 DDADRL C[C@H](CCOC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1ccccc1 ZINC001224995456 881629555 /nfs/dbraw/zinc/62/95/55/881629555.db2.gz SBPHMFADVANDHR-MPKXVKKWSA-N -2 0 324.329 1.260 20 0 DDADRL O=P([O-])([O-])OCCNC(F)(F)c1ccc(Cl)nc1 ZINC001157788219 864139914 /nfs/dbraw/zinc/13/99/14/864139914.db2.gz WBYHXVAPRPFVNK-UHFFFAOYSA-N -2 0 302.601 1.483 20 0 DDADRL Cc1cc(C)c(C)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001227505471 883051474 /nfs/dbraw/zinc/05/14/74/883051474.db2.gz FCKHHADQUFTIPD-ZWNOBZJWSA-N -2 0 310.302 1.054 20 0 DDADRL CSc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(C)c1 ZINC001228471019 883512199 /nfs/dbraw/zinc/51/21/99/883512199.db2.gz SLJDGEOWAPADLE-SECBINFHSA-N -2 0 322.275 1.093 20 0 DDADRL O=C([O-])C[C@H](O)C(=O)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1 ZINC001231044670 885159297 /nfs/dbraw/zinc/15/92/97/885159297.db2.gz NGOXRRAKFUEHHZ-BYPYZUCNSA-N -2 0 320.088 1.006 20 0 DDADRL Cc1cc(Cl)cc(C)c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001234352242 887896327 /nfs/dbraw/zinc/89/63/27/887896327.db2.gz SPGSVJGPAUIUGY-SECBINFHSA-N -2 0 324.653 1.332 20 0 DDADRL Cc1ccnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1C(N)=O ZINC001242158923 891354485 /nfs/dbraw/zinc/35/44/85/891354485.db2.gz CPEQBCFXKVTNOW-UHFFFAOYSA-N -2 0 300.270 1.552 20 0 DDADRL CC(C)n1ncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1=O ZINC001242163787 891359065 /nfs/dbraw/zinc/35/90/65/891359065.db2.gz LIBIPDALKXWMNG-UHFFFAOYSA-N -2 0 302.286 1.888 20 0 DDADRL O=C([O-])c1cccc(-c2ccc3c(c2)S(=O)(=O)[N-]C3=O)c1F ZINC001242380295 891404098 /nfs/dbraw/zinc/40/40/98/891404098.db2.gz IXPOENUMRDTESX-UHFFFAOYSA-N -2 0 321.285 1.623 20 0 DDADRL Cc1cc(C(=O)[O-])cc(-c2ccc3c(c2)C(=O)[N-]S3(=O)=O)c1 ZINC001243177520 891618625 /nfs/dbraw/zinc/61/86/25/891618625.db2.gz ALQSMWLONKJYHC-UHFFFAOYSA-N -2 0 317.322 1.792 20 0 DDADRL COC(=O)Cc1ccccc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001243958220 891761695 /nfs/dbraw/zinc/76/16/95/891761695.db2.gz WOQBPUMIJKOPLG-UHFFFAOYSA-N -2 0 306.254 1.872 20 0 DDADRL C[C@@H]1C[C@H]1c1nnc(-c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)o1 ZINC001256746558 897569647 /nfs/dbraw/zinc/56/96/47/897569647.db2.gz HTUYVVYNTVCFLC-LHLIQPBNSA-N -2 0 324.314 1.805 20 0 DDADRL O=S(=O)([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)C(F)F ZINC001259957970 898979836 /nfs/dbraw/zinc/97/98/36/898979836.db2.gz LPLNPYBETFWGAD-UHFFFAOYSA-N -2 0 321.710 1.551 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnc3nccn3c2)c1 ZINC001260185083 899077911 /nfs/dbraw/zinc/07/79/11/899077911.db2.gz PUNRTRHAXHEXSK-UHFFFAOYSA-N -2 0 318.314 1.228 20 0 DDADRL COc1cncc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC001260393030 899135152 /nfs/dbraw/zinc/13/51/52/899135152.db2.gz ZNRSYADTPFRBJA-UHFFFAOYSA-N -2 0 324.314 1.295 20 0 DDADRL COC(=O)c1ccc(=NC[C@@](C)(C(=O)[O-])c2ccccc2)[n-]n1 ZINC000593326113 355854682 /nfs/dbraw/zinc/85/46/82/355854682.db2.gz CSSUPQNEEYMRHQ-MRXNPFEDSA-N -2 0 315.329 1.140 20 0 DDADRL O=C([O-])c1ccc(C(=O)N=c2ncn(Cc3ccccc3)[n-]2)nc1 ZINC000618820365 363769979 /nfs/dbraw/zinc/76/99/79/363769979.db2.gz JZUNVIKPDZOAGT-UHFFFAOYSA-N -2 0 323.312 1.094 20 0 DDADRL C[C@@H]1CN(C(=O)NCCCCCC(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000626766704 367733735 /nfs/dbraw/zinc/73/37/35/367733735.db2.gz PTAIBRZDWLPFDA-GHMZBOCLSA-N -2 0 300.355 1.384 20 0 DDADRL C[C@H]1CN(C(=O)NCCCCCC(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000626766707 367734101 /nfs/dbraw/zinc/73/41/01/367734101.db2.gz PTAIBRZDWLPFDA-WDEREUQCSA-N -2 0 300.355 1.384 20 0 DDADRL O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000092181981 193171479 /nfs/dbraw/zinc/17/14/79/193171479.db2.gz LINBNEGENOJMON-HTRCEHHLSA-N -2 0 321.276 1.412 20 0 DDADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000566311409 304143226 /nfs/dbraw/zinc/14/32/26/304143226.db2.gz CLTFUWABOGIZIM-PRHODGIISA-N -2 0 315.347 1.313 20 0 DDADRL O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)c1cc(F)c([O-])c(F)c1)C2 ZINC000263380547 304167759 /nfs/dbraw/zinc/16/77/59/304167759.db2.gz BOJIQGYEJKZJPP-BJOHPYRUSA-N -2 0 311.284 1.997 20 0 DDADRL O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282919738 217326098 /nfs/dbraw/zinc/32/60/98/217326098.db2.gz NSXSUYKNZBFINQ-SSDOTTSWSA-N -2 0 324.287 1.102 20 0 DDADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnoc1 ZINC000060941376 184158380 /nfs/dbraw/zinc/15/83/80/184158380.db2.gz UMQXWRQEJUIFJD-UHFFFAOYSA-N -2 0 300.267 1.621 20 0 DDADRL COc1cc(C)ccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000037789777 406992639 /nfs/dbraw/zinc/99/26/39/406992639.db2.gz KNOLKFNKBONOAX-UHFFFAOYSA-N -2 0 310.331 1.831 20 0 DDADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000115960502 407716686 /nfs/dbraw/zinc/71/66/86/407716686.db2.gz AVMDMKQFUGGMAP-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000263385327 408124587 /nfs/dbraw/zinc/12/45/87/408124587.db2.gz YALUIGZYIRGPNU-ZWNOBZJWSA-N -2 0 320.345 1.637 20 0 DDADRL Cc1cc(C)c([N-]S(=O)(=O)c2ccnn2C)c(C(=O)[O-])c1 ZINC000134279752 162074525 /nfs/dbraw/zinc/07/45/25/162074525.db2.gz FJQOGVZYJIKBDG-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CC(C)C[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000185339078 408797905 /nfs/dbraw/zinc/79/79/05/408797905.db2.gz GTCSRIDLPMHIGC-LBPRGKRZSA-N -2 0 317.345 1.807 20 0 DDADRL Cc1c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cnn1C ZINC000314199827 164013276 /nfs/dbraw/zinc/01/32/76/164013276.db2.gz SOSNMIODKMAZOA-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL O=S(=O)(NCc1ncccc1O)c1cccc(F)c1F ZINC000360027992 411009044 /nfs/dbraw/zinc/00/90/44/411009044.db2.gz BMSPCAXSYNBRHJ-UHFFFAOYSA-N -2 0 300.286 1.544 20 0 DDADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ncc[nH]1 ZINC000380603831 418727372 /nfs/dbraw/zinc/72/73/72/418727372.db2.gz FKZISXGONANICD-UHFFFAOYSA-N -2 0 303.246 1.187 20 0 DDADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424402119 228264924 /nfs/dbraw/zinc/26/49/24/228264924.db2.gz FTYFJMJKKGYMFK-NXEZZACHSA-N -2 0 300.355 1.240 20 0 DDADRL C[C@@H](CN(C)C(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)[O-] ZINC000643430043 423155974 /nfs/dbraw/zinc/15/59/74/423155974.db2.gz CEGMYNUVMPSDHT-VIFPVBQESA-N -2 0 321.308 1.510 20 0 DDADRL CCOc1ccncc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000436476777 420331145 /nfs/dbraw/zinc/33/11/45/420331145.db2.gz GDRXKDMDSKDNDW-UHFFFAOYSA-N -2 0 322.342 1.979 20 0 DDADRL COCc1nc(=NC(=O)c2cc(NC(C)=O)ccc2[O-])s[n-]1 ZINC000436837733 420374510 /nfs/dbraw/zinc/37/45/10/420374510.db2.gz HJUVWCAYPKQSLP-UHFFFAOYSA-N -2 0 322.346 1.023 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cn1 ZINC000436774503 420366472 /nfs/dbraw/zinc/36/64/72/420366472.db2.gz WUDFIWBUJPCCEB-UHFFFAOYSA-N -2 0 311.319 1.108 20 0 DDADRL Cc1cc(C(=O)Nc2ccc(O)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000438971368 420473116 /nfs/dbraw/zinc/47/31/16/420473116.db2.gz GKKIZNIZOSBODW-UHFFFAOYSA-N -2 0 312.285 1.702 20 0 DDADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2[O-])C1 ZINC000630440468 422104482 /nfs/dbraw/zinc/10/44/82/422104482.db2.gz CALCKCWGFWELIX-SSDOTTSWSA-N -2 0 305.739 1.141 20 0 DDADRL CO[C@H](C)c1nc(=NC(=O)NC2(CC(=O)[O-])CCC2)s[n-]1 ZINC000649544304 424017591 /nfs/dbraw/zinc/01/75/91/424017591.db2.gz QAXNQVAMDXMJOR-SSDOTTSWSA-N -2 0 314.367 1.186 20 0 DDADRL CC[C@H](C)[C@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)C(=O)[O-] ZINC000659761398 424230513 /nfs/dbraw/zinc/23/05/13/424230513.db2.gz IIIVJMADSMSFIA-ZANVPECISA-N -2 0 309.318 1.379 20 0 DDADRL CC(C)[C@H](CNC(=O)c1cccc(OCC(=O)[O-])c1)C(=O)[O-] ZINC000659768330 424239313 /nfs/dbraw/zinc/23/93/13/424239313.db2.gz XDUKORSOUCTKEY-LBPRGKRZSA-N -2 0 309.318 1.237 20 0 DDADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC[C@H](C)C(=O)[O-])n1 ZINC000655560974 424567349 /nfs/dbraw/zinc/56/73/49/424567349.db2.gz JZDWNLRQMSOCPC-VIFPVBQESA-N -2 0 321.308 1.476 20 0 DDADRL CC(C)[C@@H](CNC(=O)NC[C@H](C(=O)[O-])C1CCC1)C(=O)[O-] ZINC000665314678 424780462 /nfs/dbraw/zinc/78/04/62/424780462.db2.gz NAWBGCWGCWAOQR-MNOVXSKESA-N -2 0 300.355 1.143 20 0 DDADRL CC1(C(=O)[O-])CCN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000665316296 424780488 /nfs/dbraw/zinc/78/04/88/424780488.db2.gz BGEDDWCSFCBKQP-LLVKDONJSA-N -2 0 312.366 1.384 20 0 DDADRL CN(C(=O)N=c1[n-]ncs1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000516947521 302802445 /nfs/dbraw/zinc/80/24/45/302802445.db2.gz QIMGFVIYNUUAST-SNVBAGLBSA-N -2 0 306.347 1.120 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cn1 ZINC000357899268 306923623 /nfs/dbraw/zinc/92/36/23/306923623.db2.gz UAIZHPHPWWBEJD-UHFFFAOYSA-N -2 0 309.347 1.331 20 0 DDADRL Cc1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000395150521 307295865 /nfs/dbraw/zinc/29/58/65/307295865.db2.gz IGMKGLDFIQJECU-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccccc2O)c1 ZINC000436994098 484134498 /nfs/dbraw/zinc/13/44/98/484134498.db2.gz AQHQHOJWSWNDAB-UHFFFAOYSA-N -2 0 309.299 1.597 20 0 DDADRL O=C([O-])[C@H](NS(=O)(=O)c1cccnc1C(F)(F)F)C1CC1 ZINC000672787426 485347772 /nfs/dbraw/zinc/34/77/72/485347772.db2.gz YAKNUXOWDMAJHK-MRVPVSSYSA-N -2 0 324.280 1.242 20 0 DDADRL Cc1cnc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)c([O-])c1 ZINC000680847882 486281860 /nfs/dbraw/zinc/28/18/60/486281860.db2.gz GYHDWHHRZQEVJR-UHFFFAOYSA-N -2 0 312.285 1.691 20 0 DDADRL CSC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000738188960 599981449 /nfs/dbraw/zinc/98/14/49/599981449.db2.gz UQEHAWJKYDHDPN-ZCFIWIBFSA-N -2 0 323.417 1.250 20 0 DDADRL Cn1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC000739037825 600094805 /nfs/dbraw/zinc/09/48/05/600094805.db2.gz GHIHKYZWGIAABD-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL O=C([O-])Nc1cc([N-]S(=O)(=O)c2cn[nH]c2)ccc1F ZINC000740013392 600101562 /nfs/dbraw/zinc/10/15/62/600101562.db2.gz ITULAPQWGSMZMY-UHFFFAOYSA-N -2 0 300.271 1.440 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cn1 ZINC000737302906 600302301 /nfs/dbraw/zinc/30/23/01/600302301.db2.gz MEPKARCTEGLRTB-UHFFFAOYSA-N -2 0 324.362 1.471 20 0 DDADRL C/C(=C/C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccccc1 ZINC000736120100 600462138 /nfs/dbraw/zinc/46/21/38/600462138.db2.gz FTOHOFJAYQNBHC-KHPPLWFESA-N -2 0 311.359 1.401 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cccc2cnccc21 ZINC000833228420 600801866 /nfs/dbraw/zinc/80/18/66/600801866.db2.gz OOBSKBUBWDEOQC-UHFFFAOYSA-N -2 0 322.342 1.159 20 0 DDADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)CCC1CCC1 ZINC000833096065 601142735 /nfs/dbraw/zinc/14/27/35/601142735.db2.gz ACKDAIOFYNLGJL-UHFFFAOYSA-N -2 0 317.388 1.832 20 0 DDADRL O=C([O-])CCCNC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000833227030 601386470 /nfs/dbraw/zinc/38/64/70/601386470.db2.gz RHEIATWDASOVER-UHFFFAOYSA-N -2 0 323.736 1.826 20 0 DDADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)NCCC(=O)[O-])n2)c1 ZINC000832935741 601387240 /nfs/dbraw/zinc/38/72/40/601387240.db2.gz MGCOWRFLIVCUCU-UHFFFAOYSA-N -2 0 307.281 1.230 20 0 DDADRL CCCc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)s1 ZINC000829574443 601503317 /nfs/dbraw/zinc/50/33/17/601503317.db2.gz ZKUJMDHWGKJVQV-UHFFFAOYSA-N -2 0 317.348 1.583 20 0 DDADRL Cn1cc(NC(=O)c2cc3c(cc2O)OCO3)cc1C(=O)[O-] ZINC000833051794 601761032 /nfs/dbraw/zinc/76/10/32/601761032.db2.gz KBIMPINOLJAJSW-UHFFFAOYSA-N -2 0 304.258 1.410 20 0 DDADRL O=C([O-])c1ccc(C(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])cn1 ZINC000833131661 601900525 /nfs/dbraw/zinc/90/05/25/601900525.db2.gz BNJKFWANVXOBLT-VXGBXAGGSA-N -2 0 320.345 1.933 20 0 DDADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000833346236 602155759 /nfs/dbraw/zinc/15/57/59/602155759.db2.gz HDVBKRUYTXNHDT-UHFFFAOYSA-N -2 0 303.296 1.176 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cc(C2CC2)[nH]n1 ZINC000833344872 602307467 /nfs/dbraw/zinc/30/74/67/602307467.db2.gz FVLITCSUQPYDOY-UHFFFAOYSA-N -2 0 314.348 1.243 20 0 DDADRL C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000739162480 602593172 /nfs/dbraw/zinc/59/31/72/602593172.db2.gz VTFVQUKDFDGJEW-SECBINFHSA-N -2 0 316.317 1.160 20 0 DDADRL C[C@@H](CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)NC(=O)[O-] ZINC000824696585 602823188 /nfs/dbraw/zinc/82/31/88/602823188.db2.gz TZHCBHQWILDANK-ZETCQYMHSA-N -2 0 306.278 1.015 20 0 DDADRL C[C@H]1CN(Cc2c([O-])nnn2-c2ccccc2)CCN1C(=O)[O-] ZINC000739186877 603052963 /nfs/dbraw/zinc/05/29/63/603052963.db2.gz UPPDOXGRKXXPDG-NSHDSACASA-N -2 0 317.349 1.157 20 0 DDADRL CC(C)CCS(=O)(=O)[N-]C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000824245748 603441171 /nfs/dbraw/zinc/44/11/71/603441171.db2.gz VWGLDLBIILKIMC-UHFFFAOYSA-N -2 0 318.351 1.153 20 0 DDADRL O=C([O-])[C@@]1(F)CCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000833354121 604298316 /nfs/dbraw/zinc/29/83/16/604298316.db2.gz IYYYCFDJSYNHLV-GFCCVEGCSA-N -2 0 305.664 1.824 20 0 DDADRL O=C([O-])NC1(CC(=O)[N-]S(=O)(=O)c2ccsc2)CCC1 ZINC000832210861 605092752 /nfs/dbraw/zinc/09/27/52/605092752.db2.gz AVRAQEQIOAEKAW-UHFFFAOYSA-N -2 0 318.376 1.133 20 0 DDADRL O=C([O-])N1[C@H](C(=O)[N-]OCC(F)(F)F)C[C@H]2CCCC[C@@H]21 ZINC000831742767 605138347 /nfs/dbraw/zinc/13/83/47/605138347.db2.gz QEIHNORXFQSQTO-VGMNWLOBSA-N -2 0 310.272 1.908 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)C1 ZINC000834059985 605309054 /nfs/dbraw/zinc/30/90/54/605309054.db2.gz MQEXWTNWOVTGPA-SRVKXCTJSA-N -2 0 312.366 1.526 20 0 DDADRL O=C([O-])NCc1cccc(NC(=O)C(=O)[N-]OC2CCCC2)c1 ZINC000834247995 605957938 /nfs/dbraw/zinc/95/79/38/605957938.db2.gz UEMWMHRYTFNJEA-UHFFFAOYSA-N -2 0 321.333 1.383 20 0 DDADRL O=C([O-])N[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)CC2CCC2)C1 ZINC000834168963 606030075 /nfs/dbraw/zinc/03/00/75/606030075.db2.gz JYQNFCMNGGUKLZ-MNOVXSKESA-N -2 0 318.395 1.059 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1 ZINC000834162255 606031712 /nfs/dbraw/zinc/03/17/12/606031712.db2.gz BZAWLXCEPRDWNR-WJTVCTBASA-N -2 0 324.377 1.667 20 0 DDADRL CC(C)[C@@H](NC(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-])C(=O)[O-] ZINC000833792229 606032319 /nfs/dbraw/zinc/03/23/19/606032319.db2.gz BUKFGPBIFPATRB-TZMCWYRMSA-N -2 0 322.361 1.481 20 0 DDADRL O=C([O-])CCCNC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000834060500 606032780 /nfs/dbraw/zinc/03/27/80/606032780.db2.gz PYYSFYINRARRGG-GHMZBOCLSA-N -2 0 300.355 1.574 20 0 DDADRL O=C([O-])NC[C@H](C(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000834209100 606033706 /nfs/dbraw/zinc/03/37/06/606033706.db2.gz CJXHKQXNOJJMOM-STQMWFEESA-N -2 0 320.345 1.361 20 0 DDADRL O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CC1CN(C(=O)[O-])C1 ZINC000834059764 606051747 /nfs/dbraw/zinc/05/17/47/606051747.db2.gz CDOGZPGQIMPBBP-AWEZNQCLSA-N -2 0 318.329 1.197 20 0 DDADRL Cc1oc(CN(C)C(=O)[C@H]2CCN(C(=O)[O-])C2)cc1C(=O)[O-] ZINC000833934553 606054924 /nfs/dbraw/zinc/05/49/24/606054924.db2.gz LYHQUXSVMYTSFE-VIFPVBQESA-N -2 0 310.306 1.245 20 0 DDADRL O=C([O-])c1cc(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)ccc1Cl ZINC000834283421 606056537 /nfs/dbraw/zinc/05/65/37/606056537.db2.gz OLOJGGLNSCMSQC-SSDOTTSWSA-N -2 0 312.709 1.977 20 0 DDADRL O=C([O-])CCc1ccc(NC(=O)[C@@H]2COCCN2C(=O)[O-])cc1 ZINC000834060637 606063027 /nfs/dbraw/zinc/06/30/27/606063027.db2.gz UBEKCEDUWUXHNP-LBPRGKRZSA-N -2 0 322.317 1.021 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000834170484 606065893 /nfs/dbraw/zinc/06/58/93/606065893.db2.gz OQOXHMDEXNOPGN-YNEHKIRRSA-N -2 0 320.345 1.407 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)CC2(NC(=O)[O-])CCC2)c1 ZINC000834066843 606066892 /nfs/dbraw/zinc/06/68/92/606066892.db2.gz XDYDTIOPAUAXJN-UHFFFAOYSA-N -2 0 306.318 1.833 20 0 DDADRL O=C([O-])[C@H](NC(=O)CC1CN(C(=O)[O-])C1)c1ccccc1F ZINC000833988017 606067280 /nfs/dbraw/zinc/06/72/80/606067280.db2.gz NLPTZMIOWAYOOU-GFCCVEGCSA-N -2 0 310.281 1.068 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)ccc1F ZINC000776426212 698106046 /nfs/dbraw/zinc/10/60/46/698106046.db2.gz HGXYNKCALRXJJG-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL O=c1[n-]c(SCCCCCCSc2n[nH]c(=O)[n-]2)n[nH]1 ZINC000772229706 701346148 /nfs/dbraw/zinc/34/61/48/701346148.db2.gz IFKOPALYHZOMGH-UHFFFAOYSA-N -2 0 316.412 1.779 20 0 DDADRL CCn1ncn([N-]C(=O)c2c([O-])cc(Cl)cc2Cl)c1=O ZINC000816735535 702170780 /nfs/dbraw/zinc/17/07/80/702170780.db2.gz LZWMZLHAUYTSIC-UHFFFAOYSA-N -2 0 317.132 1.461 20 0 DDADRL O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC000820281414 704252255 /nfs/dbraw/zinc/25/22/55/704252255.db2.gz APTFGPBPDLVHMA-ZETCQYMHSA-N -2 0 320.202 1.489 20 0 DDADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000863953779 706045359 /nfs/dbraw/zinc/04/53/59/706045359.db2.gz YQBXUDBNUMWVHU-UHFFFAOYSA-N -2 0 303.311 1.276 20 0 DDADRL O=C([O-])CCC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000863954136 706045535 /nfs/dbraw/zinc/04/55/35/706045535.db2.gz NWDYTCYUYPUZBK-UHFFFAOYSA-N -2 0 309.343 1.285 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000863954561 706045723 /nfs/dbraw/zinc/04/57/23/706045723.db2.gz FKKGKYOGXFULEY-MNOVXSKESA-N -2 0 305.396 1.370 20 0 DDADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000863954370 706045874 /nfs/dbraw/zinc/04/58/74/706045874.db2.gz XBWVHMUBSJGNOR-UHFFFAOYSA-N -2 0 319.423 1.904 20 0 DDADRL O=C([O-])CCC(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000863957379 706046118 /nfs/dbraw/zinc/04/61/18/706046118.db2.gz YMALAINLIZVHHA-UHFFFAOYSA-N -2 0 305.739 1.151 20 0 DDADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000863958777 706046703 /nfs/dbraw/zinc/04/67/03/706046703.db2.gz KAIWZLJDKKLOEA-UHFFFAOYSA-N -2 0 317.338 1.417 20 0 DDADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)CC1CCC1)C1CCCC1 ZINC000863958014 706046745 /nfs/dbraw/zinc/04/67/45/706046745.db2.gz XFDGSYHEDUHHLO-NSHDSACASA-N -2 0 303.380 1.124 20 0 DDADRL O=C([O-])c1cccc(C(=O)n2[n-]c([C@H]3CCOC3)cc2=O)c1 ZINC000871962735 707257298 /nfs/dbraw/zinc/25/72/98/707257298.db2.gz HVPXQLRGUQEBNW-NSHDSACASA-N -2 0 302.286 1.150 20 0 DDADRL COC[C@@](C)(NC(=O)c1cc(F)c([O-])c(Cl)c1)C(=O)[O-] ZINC000909364439 713000970 /nfs/dbraw/zinc/00/09/70/713000970.db2.gz HJGAZGALDZNXFP-GFCCVEGCSA-N -2 0 305.689 1.404 20 0 DDADRL CCc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC000910186617 709802505 /nfs/dbraw/zinc/80/25/05/709802505.db2.gz SLFJPWBGFNQPLM-OLZOCXBDSA-N -2 0 305.330 1.639 20 0 DDADRL Cc1cccc(CCC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910187432 709803049 /nfs/dbraw/zinc/80/30/49/709803049.db2.gz CVYGXSFWMXBRHZ-ZIAGYGMSSA-N -2 0 319.357 1.704 20 0 DDADRL CC(C)CCSCC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910188996 709804131 /nfs/dbraw/zinc/80/41/31/709804131.db2.gz OUSHPQAXLXXEDQ-GHMZBOCLSA-N -2 0 317.407 1.542 20 0 DDADRL COC[C@]1(C(=O)[O-])CCN(c2nc(C)c(C(=O)[O-])s2)C1 ZINC000900964488 709851434 /nfs/dbraw/zinc/85/14/34/709851434.db2.gz HHROUTWBDLWWGJ-LBPRGKRZSA-N -2 0 300.336 1.077 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H]1C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000902068518 710602878 /nfs/dbraw/zinc/60/28/78/710602878.db2.gz BRKCXERKHWTYOD-UPJWGTAASA-N -2 0 303.314 1.308 20 0 DDADRL CN(C(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000905990171 712212453 /nfs/dbraw/zinc/21/24/53/712212453.db2.gz GLIKVXZMEDHWME-HNNXBMFYSA-N -2 0 324.308 1.633 20 0 DDADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCCSCC2)c1 ZINC000906820959 712417653 /nfs/dbraw/zinc/41/76/53/712417653.db2.gz RSGSHRDCHGFARP-UHFFFAOYSA-N -2 0 317.388 1.218 20 0 DDADRL C[C@H](C[N-]S(=O)(=O)c1occc1Br)C(=O)[O-] ZINC000926454478 715069166 /nfs/dbraw/zinc/06/91/66/715069166.db2.gz ZEOKXHCZODWPPA-RXMQYKEDSA-N -2 0 312.141 1.041 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)nc(C)n1 ZINC001184653946 744078399 /nfs/dbraw/zinc/07/83/99/744078399.db2.gz VHGNCNVBWKJAJA-UHFFFAOYSA-N -2 0 321.358 1.901 20 0 DDADRL Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(N)=O)c(O)c1 ZINC001185837059 744293781 /nfs/dbraw/zinc/29/37/81/744293781.db2.gz SEBJJHGXUIGOFQ-UHFFFAOYSA-N -2 0 324.333 1.739 20 0 DDADRL Cc1oncc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[O-])cc1 ZINC001187371434 744551269 /nfs/dbraw/zinc/55/12/69/744551269.db2.gz WEKCMPGFKURVFT-UHFFFAOYSA-N -2 0 318.332 1.031 20 0 DDADRL Cc1nonc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188276831 744684910 /nfs/dbraw/zinc/68/49/10/744684910.db2.gz MERPEKCISXTUQB-UHFFFAOYSA-N -2 0 317.710 1.530 20 0 DDADRL C[C@H](NC(=O)c1ccccc1OP(=O)([O-])[O-])[C@@H]1CCCO1 ZINC001189904944 745023107 /nfs/dbraw/zinc/02/31/07/745023107.db2.gz JWOBOKDKIPIFIL-ONGXEEELSA-N -2 0 315.262 1.455 20 0 DDADRL C[C@@H]1C[C@H](NC(=O)c2ccccc2OP(=O)([O-])[O-])CCO1 ZINC001189898489 745047362 /nfs/dbraw/zinc/04/73/62/745047362.db2.gz DLQYXBMGZUAQSB-NXEZZACHSA-N -2 0 315.262 1.455 20 0 DDADRL COC[C@H](NC(=O)c1ccccc1OP(=O)([O-])[O-])C1CC1 ZINC001189899951 745048532 /nfs/dbraw/zinc/04/85/32/745048532.db2.gz YTPWWBXUDOPZHT-NSHDSACASA-N -2 0 315.262 1.313 20 0 DDADRL CN(C)C(=O)c1cccc([N-]S(=O)(=O)CC2CCC2)c1[O-] ZINC001193523362 746133259 /nfs/dbraw/zinc/13/32/59/746133259.db2.gz BQAMGADZJAHDBB-UHFFFAOYSA-N -2 0 312.391 1.636 20 0 DDADRL Cc1ncc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])nc1C ZINC001198740458 747585810 /nfs/dbraw/zinc/58/58/10/747585810.db2.gz GLLQLCBGWDSRQU-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL COC(=O)c1noc2ccc(NCCOP(=O)([O-])[O-])cc21 ZINC001168595833 751270646 /nfs/dbraw/zinc/27/06/46/751270646.db2.gz OMCJXUJPRGOURI-UHFFFAOYSA-N -2 0 316.206 1.136 20 0 DDADRL CSc1nc2c(c(NCCOP(=O)([O-])[O-])n1)CCCC2 ZINC001157786898 766638171 /nfs/dbraw/zinc/63/81/71/766638171.db2.gz DDROBUJCSVKDDX-UHFFFAOYSA-N -2 0 319.323 1.599 20 0 DDADRL Nc1ccc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)cc1N ZINC001174953860 777647002 /nfs/dbraw/zinc/64/70/02/777647002.db2.gz QWZDJAIIZVSIFC-UHFFFAOYSA-N -2 0 321.358 1.279 20 0 DDADRL O=C([O-])CNC(=O)c1ccc(Nc2cccc(C(=O)[O-])c2)cc1 ZINC001175335110 777755891 /nfs/dbraw/zinc/75/58/91/777755891.db2.gz UOKVABOOHHGQCG-UHFFFAOYSA-N -2 0 314.297 1.943 20 0 DDADRL CCOC(=O)c1cc(N)n(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001176236919 778088155 /nfs/dbraw/zinc/08/81/55/778088155.db2.gz PQULUUBBPIEXRV-UHFFFAOYSA-N -2 0 319.273 1.028 20 0 DDADRL COc1cc(C(=O)NCCOP(=O)([O-])[O-])cc2[nH]ccc21 ZINC001154827207 861489330 /nfs/dbraw/zinc/48/93/30/861489330.db2.gz PBCRCIDDIZODFE-UHFFFAOYSA-N -2 0 314.234 1.016 20 0 DDADRL CCCc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001227180023 882896660 /nfs/dbraw/zinc/89/66/60/882896660.db2.gz DECMTULZZFTMLV-WCQYABFASA-N -2 0 310.302 1.081 20 0 DDADRL C[S@](=O)c1ncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001242164541 891359291 /nfs/dbraw/zinc/35/92/91/891359291.db2.gz MSZSRIPAPFHEDO-NRFANRHFSA-N -2 0 306.299 1.277 20 0 DDADRL CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2C(=O)[O-])nc1 ZINC001242878908 891542655 /nfs/dbraw/zinc/54/26/55/891542655.db2.gz MNGIYYIYARHPND-UHFFFAOYSA-N -2 0 320.326 1.272 20 0 DDADRL Cn1ccc(-c2ccc(-c3ccc(P(=O)([O-])[O-])cc3)cn2)n1 ZINC001245203841 892023353 /nfs/dbraw/zinc/02/33/53/892023353.db2.gz AACPMZPXQZWMOC-UHFFFAOYSA-N -2 0 315.269 1.952 20 0 DDADRL CCc1cccc(C)c1NC(=S)NCCOP(=O)([O-])[O-] ZINC001249571463 894042929 /nfs/dbraw/zinc/04/29/29/894042929.db2.gz YCUWLOAJYZXBEF-UHFFFAOYSA-N -2 0 318.335 1.953 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2noc3nccnc23)c1 ZINC001260183590 899075389 /nfs/dbraw/zinc/07/53/89/899075389.db2.gz UYLWZDUWMLWUTB-UHFFFAOYSA-N -2 0 320.286 1.117 20 0 DDADRL COc1nccc(C)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260183346 899075824 /nfs/dbraw/zinc/07/58/24/899075824.db2.gz LYHFKXQYGUPSIC-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL COc1cccc(O)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260190359 899081129 /nfs/dbraw/zinc/08/11/29/899081129.db2.gz GWMAGJSSCZYHAK-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2noc3nccnc23)cc1 ZINC001260221623 899094696 /nfs/dbraw/zinc/09/46/96/899094696.db2.gz KAEASKSNBOYRAC-UHFFFAOYSA-N -2 0 320.286 1.117 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c1 ZINC000092890079 185348153 /nfs/dbraw/zinc/34/81/53/185348153.db2.gz WLUXOIXPEYBALK-UHFFFAOYSA-N -2 0 311.319 1.108 20 0 DDADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000091021900 353804669 /nfs/dbraw/zinc/80/46/69/353804669.db2.gz XWIZCJQCQXEMAZ-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(C)ccc1C(=O)[O-] ZINC000565224236 304054966 /nfs/dbraw/zinc/05/49/66/304054966.db2.gz FPLXHXYGTDNZNC-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL C[C@H]1OCC[C@@H]1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000566313935 304143331 /nfs/dbraw/zinc/14/33/31/304143331.db2.gz VASORZRUISJWMK-LDWIPMOCSA-N -2 0 321.301 1.582 20 0 DDADRL Cc1ccccc1-c1nc(=N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)s[n-]1 ZINC000629766899 422805573 /nfs/dbraw/zinc/80/55/73/422805573.db2.gz BWKMNKUOZWUHRR-JLLWLGSASA-N -2 0 319.386 1.571 20 0 DDADRL COC(C)(C)CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000414367972 224327740 /nfs/dbraw/zinc/32/77/40/224327740.db2.gz GKCKEVBKKPEJPS-UHFFFAOYSA-N -2 0 303.336 1.257 20 0 DDADRL CCCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@H](C)C(=O)[O-] ZINC000262687107 407901839 /nfs/dbraw/zinc/90/18/39/407901839.db2.gz DQENMGLREUUHJU-SECBINFHSA-N -2 0 314.363 1.041 20 0 DDADRL C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-])C(=O)[O-] ZINC000263549402 408170026 /nfs/dbraw/zinc/17/00/26/408170026.db2.gz JOVUKBYQZGGUNL-RXMQYKEDSA-N -2 0 313.253 1.162 20 0 DDADRL O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(C(=O)[O-])cn1 ZINC000647734214 423019812 /nfs/dbraw/zinc/01/98/12/423019812.db2.gz YOICWZVTRZOJJF-NSHDSACASA-N -2 0 306.318 1.639 20 0 DDADRL O=C([O-])[C@@H]1CCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000417731333 225415106 /nfs/dbraw/zinc/41/51/06/225415106.db2.gz OQUXNPOMEZZMKN-SNVBAGLBSA-N -2 0 318.358 1.565 20 0 DDADRL Cc1ncc(S(=O)(=O)NC[C@H](CC2CC2)C(=O)[O-])s1 ZINC000405381072 418775169 /nfs/dbraw/zinc/77/51/69/418775169.db2.gz JAHSVIDXISLKGQ-VIFPVBQESA-N -2 0 304.393 1.231 20 0 DDADRL O=c1[n-]c(CN=c2[n-]nc(Cc3ccc(Cl)cc3)s2)n[nH]1 ZINC000489593677 421166715 /nfs/dbraw/zinc/16/67/15/421166715.db2.gz QBYUGPQXOQOZHG-UHFFFAOYSA-N -2 0 322.781 1.640 20 0 DDADRL CCCSC[C@@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000547905820 421378000 /nfs/dbraw/zinc/37/80/00/421378000.db2.gz GBUQRUDFSBMBOB-NKWVEPMBSA-N -2 0 323.358 1.453 20 0 DDADRL CC[C@](C)(NS(=O)(=O)c1cn(C)c(C(C)C)n1)C(=O)[O-] ZINC000563068231 421449739 /nfs/dbraw/zinc/44/97/39/421449739.db2.gz LYFITNCGUYIUQX-LBPRGKRZSA-N -2 0 303.384 1.075 20 0 DDADRL COc1ccc(C(=O)N=c2nc(C(C)(C)OC)[n-]s2)c([O-])c1 ZINC000634152367 422290512 /nfs/dbraw/zinc/29/05/12/422290512.db2.gz FXMMZDVSBHDUFC-UHFFFAOYSA-N -2 0 323.374 1.808 20 0 DDADRL COc1cc(C(=O)[O-])ccc1-n1[n-]c2c(c1=O)C(C)(C)OC2 ZINC000634612086 422506636 /nfs/dbraw/zinc/50/66/36/422506636.db2.gz MUUYFERPOXTZIV-GFCCVEGCSA-N -2 0 304.302 1.521 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC000653327446 423441773 /nfs/dbraw/zinc/44/17/73/423441773.db2.gz YPJLRJNSDRAZRI-DJBIQUGXSA-N -2 0 317.341 1.917 20 0 DDADRL CC(C)C[C@H](CNC(=O)N1CC[C@H](C(=O)[O-])C1)CC(=O)[O-] ZINC000659415654 423819982 /nfs/dbraw/zinc/81/99/82/423819982.db2.gz OUAJPGLYGISBDL-QWRGUYRKSA-N -2 0 300.355 1.240 20 0 DDADRL C[C@H](CNC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)C(=O)[O-] ZINC000655880384 424690008 /nfs/dbraw/zinc/69/00/08/424690008.db2.gz WQUQBYKRWACUJT-DGCLKSJQSA-N -2 0 322.361 1.482 20 0 DDADRL C[C@@H]1CCC[C@@H](CNS(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000573321627 308237369 /nfs/dbraw/zinc/23/73/69/308237369.db2.gz SVKZAJOGJYZJQZ-RKDXNWHRSA-N -2 0 318.420 1.946 20 0 DDADRL CC[C@@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)[O-] ZINC000582413629 336967299 /nfs/dbraw/zinc/96/72/99/336967299.db2.gz WPEFBKBZROIKPK-SECBINFHSA-N -2 0 307.281 1.310 20 0 DDADRL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000399449683 337312579 /nfs/dbraw/zinc/31/25/79/337312579.db2.gz MTEXTQFQPMNZEX-KWQFWETISA-N -2 0 321.345 1.988 20 0 DDADRL C[C@H]1CCN(C(=O)C2(C(=O)[O-])CCCCCC2)C[C@H]1C(=O)[O-] ZINC000663059341 484635331 /nfs/dbraw/zinc/63/53/31/484635331.db2.gz VDWVWXKHVJFQTN-NWDGAFQWSA-N -2 0 311.378 1.981 20 0 DDADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000663128309 484689937 /nfs/dbraw/zinc/68/99/37/484689937.db2.gz JLUIJQMMEKCIPM-SECBINFHSA-N -2 0 311.338 1.388 20 0 DDADRL CCCc1n[n-]c(=NC(=O)NCCCCCC(=O)[O-])s1 ZINC000417737901 528679569 /nfs/dbraw/zinc/67/95/69/528679569.db2.gz VJIQCFOKKFVNGO-UHFFFAOYSA-N -2 0 300.384 1.679 20 0 DDADRL Cn1cnc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000739048821 600100964 /nfs/dbraw/zinc/10/09/64/600100964.db2.gz PWWZHOPSPZBFLT-UHFFFAOYSA-N -2 0 314.298 1.450 20 0 DDADRL CCc1n[n-]c(=NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)s1 ZINC000405466229 600333175 /nfs/dbraw/zinc/33/31/75/600333175.db2.gz BUHLUSJSOMIVLM-QMMMGPOBSA-N -2 0 310.379 1.241 20 0 DDADRL CCCc1c(C(=O)[N-]S(=O)(=O)CC)[nH]c(C)c1C(=O)[O-] ZINC000737044622 600439812 /nfs/dbraw/zinc/43/98/12/600439812.db2.gz YFYFIRNWOHVULP-UHFFFAOYSA-N -2 0 302.352 1.053 20 0 DDADRL Cc1ccc(F)cc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000738606661 600463257 /nfs/dbraw/zinc/46/32/57/600463257.db2.gz JFAZZHJVRLPAOM-UHFFFAOYSA-N -2 0 303.311 1.059 20 0 DDADRL CC[C@@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736929152 600465177 /nfs/dbraw/zinc/46/51/77/600465177.db2.gz XRENJFUPUMZTAS-LLVKDONJSA-N -2 0 321.395 1.035 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cccc(C(=O)[O-])c1 ZINC000736966231 600520369 /nfs/dbraw/zinc/52/03/69/600520369.db2.gz YQANEMZKYBPHEM-JTQLQIEISA-N -2 0 313.375 1.881 20 0 DDADRL Cc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c(C)c1 ZINC000035651637 600670046 /nfs/dbraw/zinc/67/00/46/600670046.db2.gz UZQXMCYIARNUCQ-UHFFFAOYSA-N -2 0 309.347 1.385 20 0 DDADRL CCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000829208576 600943477 /nfs/dbraw/zinc/94/34/77/600943477.db2.gz MGXZGOODIQQUFR-JTQLQIEISA-N -2 0 313.375 1.767 20 0 DDADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)C2CCCCC2)C1 ZINC000833184272 601238712 /nfs/dbraw/zinc/23/87/12/601238712.db2.gz PCGLKPRQBYAMFQ-WDEREUQCSA-N -2 0 317.407 1.656 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000738620893 601950616 /nfs/dbraw/zinc/95/06/16/601950616.db2.gz AHOWJHHSFJWZSI-QWHCGFSZSA-N -2 0 303.314 1.919 20 0 DDADRL CN(CCCC(=O)N[C@H](CC(=O)[O-])c1ccccc1)C(=O)[O-] ZINC000739665427 602268960 /nfs/dbraw/zinc/26/89/60/602268960.db2.gz VDBQEVKSUFHHKU-GFCCVEGCSA-N -2 0 308.334 1.709 20 0 DDADRL O=C([O-])N1CCC[C@H]1CNC(=O)c1c([O-])cc(F)cc1F ZINC000740417934 602607600 /nfs/dbraw/zinc/60/76/00/602607600.db2.gz SQSGZFBAYLLSRD-QMMMGPOBSA-N -2 0 300.261 1.543 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739253470 602928327 /nfs/dbraw/zinc/92/83/27/602928327.db2.gz HTWHCCUAAFKGFH-UHFFFAOYSA-N -2 0 308.400 1.447 20 0 DDADRL O=C([O-])Nc1cc(C(=O)NCCCc2n[nH]c(=O)[n-]2)ccc1F ZINC000832820497 603942444 /nfs/dbraw/zinc/94/24/44/603942444.db2.gz DDODENXLBUCVHA-UHFFFAOYSA-N -2 0 323.284 1.102 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000826729471 604188353 /nfs/dbraw/zinc/18/83/53/604188353.db2.gz SRUNYCDPMGBHTC-GXFFZTMASA-N -2 0 320.411 1.259 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000826727763 604257031 /nfs/dbraw/zinc/25/70/31/604257031.db2.gz HWOZTSJYNYNPBM-ZJUUUORDSA-N -2 0 308.400 1.115 20 0 DDADRL CC(C)C[C@@H](NS(=O)(=O)c1ccsc1C(=O)[O-])C(=O)[O-] ZINC000833491513 604881665 /nfs/dbraw/zinc/88/16/65/604881665.db2.gz MBQBTSOBYFQSEU-SSDOTTSWSA-N -2 0 321.376 1.224 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC(=O)[O-])c2)o1 ZINC000833751064 605006186 /nfs/dbraw/zinc/00/61/86/605006186.db2.gz NLBVBYXURVHDJB-UHFFFAOYSA-N -2 0 311.315 1.852 20 0 DDADRL CC1(C)CCC(CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000833557431 605117244 /nfs/dbraw/zinc/11/72/44/605117244.db2.gz SGVMKYFBUMTFDC-UHFFFAOYSA-N -2 0 319.423 1.904 20 0 DDADRL Cn1nccc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000317678780 605132993 /nfs/dbraw/zinc/13/29/93/605132993.db2.gz LSWYLGPGGYYCRJ-UHFFFAOYSA-N -2 0 321.358 1.337 20 0 DDADRL O=C([O-])N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[N-]OCC(F)(F)F ZINC000831742766 605137993 /nfs/dbraw/zinc/13/79/93/605137993.db2.gz QEIHNORXFQSQTO-HLTSFMKQSA-N -2 0 310.272 1.908 20 0 DDADRL O=C([O-])Cc1csc(NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)n1 ZINC000834069294 606028152 /nfs/dbraw/zinc/02/81/52/606028152.db2.gz RJRNAKFBEGKYMG-RNFRBKRXSA-N -2 0 313.335 1.145 20 0 DDADRL O=C([O-])[C@H]1CC12CCN(C(=O)[C@H]1CCCN(C(=O)[O-])C1)CC2 ZINC000834057235 606033844 /nfs/dbraw/zinc/03/38/44/606033844.db2.gz BRSLWGUJNYBSHG-WDEREUQCSA-N -2 0 310.350 1.090 20 0 DDADRL O=C([O-])CN(Cc1ccccc1)C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000834064962 606048155 /nfs/dbraw/zinc/04/81/55/606048155.db2.gz HRITURJKAYGCOB-GFCCVEGCSA-N -2 0 306.318 1.100 20 0 DDADRL Cc1oc(CN(C)C(=O)[C@@]2(C)CCCN2C(=O)[O-])cc1C(=O)[O-] ZINC000833935932 606055333 /nfs/dbraw/zinc/05/53/33/606055333.db2.gz SVVSHBRLMFZBSC-OAHLLOKOSA-N -2 0 324.333 1.777 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)[C@H]2CCCCN2C(=O)[O-])c1 ZINC000834283779 606058521 /nfs/dbraw/zinc/05/85/21/606058521.db2.gz XDBGAOGICGNGHB-GFCCVEGCSA-N -2 0 306.318 1.534 20 0 DDADRL O=C([O-])N[C@H](C(=O)NCC1(C(=O)[O-])CCC1)c1ccccc1 ZINC000834251721 606063858 /nfs/dbraw/zinc/06/38/58/606063858.db2.gz OMIGHHVGZKWXBW-NSHDSACASA-N -2 0 306.318 1.366 20 0 DDADRL O=C([O-])Nc1ccc(CC(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000834256852 606065584 /nfs/dbraw/zinc/06/55/84/606065584.db2.gz VFWKNZXWSPNCAZ-CQSZACIVSA-N -2 0 310.281 1.344 20 0 DDADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCCCC(=O)[O-])c1C ZINC000013078538 696052929 /nfs/dbraw/zinc/05/29/29/696052929.db2.gz YLDQLWAUNJVCLZ-UHFFFAOYSA-N -2 0 315.347 1.145 20 0 DDADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(C)c2)c1F ZINC000749140975 700148373 /nfs/dbraw/zinc/14/83/73/700148373.db2.gz GKCCWVFSMSKRMJ-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL O=C([N-]C[C@@H]1CCC[C@H]([N-]C(=O)C(F)(F)F)C1)C(F)(F)F ZINC000732161633 699548597 /nfs/dbraw/zinc/54/85/97/699548597.db2.gz HOGCXKTXGGTDTK-RQJHMYQMSA-N -2 0 320.233 1.902 20 0 DDADRL CC(C)OCCO[N-]C(=O)CSc1n[n-]c(=S)s1 ZINC000795070127 699844745 /nfs/dbraw/zinc/84/47/45/699844745.db2.gz WGHWJMVDEVHANQ-UHFFFAOYSA-N -2 0 309.438 1.392 20 0 DDADRL CC(C)C[C@H](CNC(=O)N1CC[C@](C)(C(=O)[O-])C1)CC(=O)[O-] ZINC000851650960 703822675 /nfs/dbraw/zinc/82/26/75/703822675.db2.gz HWFZLKYFMYWBQL-NHYWBVRUSA-N -2 0 314.382 1.630 20 0 DDADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000863963702 706047498 /nfs/dbraw/zinc/04/74/98/706047498.db2.gz FDRGKTMGGGIBQN-VWYCJHECSA-N -2 0 317.407 1.512 20 0 DDADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000863964614 706047665 /nfs/dbraw/zinc/04/76/65/706047665.db2.gz XTOKKVSALZZHLV-RCWTZXSCSA-N -2 0 317.407 1.368 20 0 DDADRL CCS(=O)(CC)=NS(=O)(=O)[N-]c1ccc(F)cc1[O-] ZINC000872357937 707389480 /nfs/dbraw/zinc/38/94/80/707389480.db2.gz KOLINSQKYPOAQJ-UHFFFAOYSA-N -2 0 310.372 1.696 20 0 DDADRL CC1(C)CCC[C@H](C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])C1 ZINC000910183499 709801067 /nfs/dbraw/zinc/80/10/67/709801067.db2.gz LOEOJSQXQOHDGP-QJPTWQEYSA-N -2 0 311.378 1.979 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(Cl)c1 ZINC000910186466 709802694 /nfs/dbraw/zinc/80/26/94/709802694.db2.gz RTBLSAYASQJKMX-GXSJLCMTSA-N -2 0 311.721 1.730 20 0 DDADRL CCCCSCCC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910189139 709804158 /nfs/dbraw/zinc/80/41/58/709804158.db2.gz QSURVSJSHWFFCN-QWRGUYRKSA-N -2 0 317.407 1.686 20 0 DDADRL CCC(CC)(CN=c1nn[n-]n1Cc1ccccc1)C(=O)[O-] ZINC000910327048 709893947 /nfs/dbraw/zinc/89/39/47/709893947.db2.gz VBDFFNJALOVEHK-UHFFFAOYSA-N -2 0 303.366 1.446 20 0 DDADRL CC1(C(=O)[O-])CCN(C(=O)C2(C(=O)[O-])CCSCC2)CC1 ZINC000901704251 710126114 /nfs/dbraw/zinc/12/61/14/710126114.db2.gz IOHWUOFBOJPVNT-UHFFFAOYSA-N -2 0 315.391 1.298 20 0 DDADRL C[C@@H]1CN(C(=O)Cc2ccccc2C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000902174869 710648312 /nfs/dbraw/zinc/64/83/12/710648312.db2.gz AJJYUCDJTMOIML-PWSUYJOCSA-N -2 0 305.330 1.497 20 0 DDADRL C[C@@H]1CSCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906875696 712426128 /nfs/dbraw/zinc/42/61/28/712426128.db2.gz SNOWDEIIWKBFLY-MRVPVSSYSA-N -2 0 317.388 1.216 20 0 DDADRL O=S(=O)([O-])c1cccc([N-]S(=O)(=O)c2ccsc2)c1 ZINC001185382638 744212738 /nfs/dbraw/zinc/21/27/38/744212738.db2.gz AUMYRDQDPFCZFP-UHFFFAOYSA-N -2 0 319.385 1.796 20 0 DDADRL CN(Cc1ncccn1)C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189860624 745003825 /nfs/dbraw/zinc/00/38/25/745003825.db2.gz LFNUHTZDQNKSIV-UHFFFAOYSA-N -2 0 323.245 1.220 20 0 DDADRL O=C(Nc1c[nH]ccc1=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189871398 745008563 /nfs/dbraw/zinc/00/85/63/745008563.db2.gz OBCMVGOAPAWDTB-UHFFFAOYSA-N -2 0 310.202 1.099 20 0 DDADRL Cc1nccnc1CNC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189899875 745048293 /nfs/dbraw/zinc/04/82/93/745048293.db2.gz WUDGXKUKXSMBOU-UHFFFAOYSA-N -2 0 323.245 1.187 20 0 DDADRL COc1c(C)cc(C(=O)NCCCC[P@@](=O)([O-])O)cc1C ZINC001191079445 745418961 /nfs/dbraw/zinc/41/89/61/745418961.db2.gz SMRKSGIFZHRPFM-UHFFFAOYSA-N -2 0 315.306 2.000 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1nonc1C1CC1 ZINC001198746287 747589058 /nfs/dbraw/zinc/58/90/58/747589058.db2.gz BOQQFTKWKUYORD-UHFFFAOYSA-N -2 0 309.303 1.446 20 0 DDADRL COC(=O)c1c[nH]c2c1cccc2NCCOP(=O)([O-])[O-] ZINC001168594822 751257816 /nfs/dbraw/zinc/25/78/16/751257816.db2.gz BNTJMCMJZKQBEE-UHFFFAOYSA-N -2 0 314.234 1.476 20 0 DDADRL CC1(C)NC(=O)Cc2cc(NCCOP(=O)([O-])[O-])ccc21 ZINC001168594901 751259078 /nfs/dbraw/zinc/25/90/78/751259078.db2.gz DDMDKAVZWNHCHW-UHFFFAOYSA-N -2 0 314.278 1.115 20 0 DDADRL O=C([O-])c1ccc(Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)s1 ZINC001174806591 777607188 /nfs/dbraw/zinc/60/71/88/777607188.db2.gz FIPMCQHRCQXAAH-UHFFFAOYSA-N -2 0 324.339 1.622 20 0 DDADRL CC(=O)Nc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)ncn1 ZINC001176236968 778088012 /nfs/dbraw/zinc/08/80/12/778088012.db2.gz DCHARBHWAMSPKD-UHFFFAOYSA-N -2 0 316.273 1.575 20 0 DDADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C)nc1 ZINC001118915632 781271482 /nfs/dbraw/zinc/27/14/82/781271482.db2.gz XNKGIXQYBAEPAG-UHFFFAOYSA-N -2 0 314.363 1.086 20 0 DDADRL CC[C@H](OC(=O)[C@H](O)COP(=O)([O-])[O-])c1ccccc1 ZINC001223704131 840005980 /nfs/dbraw/zinc/00/59/80/840005980.db2.gz CUOPRXHHZKLNDG-MNOVXSKESA-N -2 0 304.235 1.151 20 0 DDADRL O=P([O-])([O-])OCCNc1cnc2ccc(Cl)cc2n1 ZINC001157787243 864137913 /nfs/dbraw/zinc/13/79/13/864137913.db2.gz GDYVRABGPCRZET-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL O=P([O-])([O-])OCCNc1ncnc(-c2cccc(F)c2)n1 ZINC001157796079 864149615 /nfs/dbraw/zinc/14/96/15/864149615.db2.gz VHWMGRIQMUTSKU-UHFFFAOYSA-N -2 0 314.213 1.199 20 0 DDADRL O=C(NCc1nc([O-])cc(=O)[nH]1)c1cc(F)cc(Cl)c1[O-] ZINC001413867854 877563605 /nfs/dbraw/zinc/56/36/05/877563605.db2.gz SYYWXEBBSBBGSC-UHFFFAOYSA-N -2 0 313.672 1.316 20 0 DDADRL C[S@@](=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1 ZINC001242163015 891356265 /nfs/dbraw/zinc/35/62/65/891356265.db2.gz OPXGNWKZIMKOND-OAQYLSRUSA-N -2 0 305.311 1.882 20 0 DDADRL Cc1c(C(N)=O)cncc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242162933 891356834 /nfs/dbraw/zinc/35/68/34/891356834.db2.gz NBZWUTYHDSQFNG-UHFFFAOYSA-N -2 0 300.270 1.552 20 0 DDADRL Cc1ncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1C(N)=O ZINC001242165185 891358250 /nfs/dbraw/zinc/35/82/50/891358250.db2.gz VMJWYWUHCNOHNT-UHFFFAOYSA-N -2 0 300.270 1.552 20 0 DDADRL O=C([O-])c1ccccc1-c1ccc2c(c1)C(=O)[N-]S2(=O)=O ZINC001242877806 891542435 /nfs/dbraw/zinc/54/24/35/891542435.db2.gz CSABRGLGPMTSND-UHFFFAOYSA-N -2 0 303.295 1.484 20 0 DDADRL O=S(=O)([O-])c1cccc([N-]S(=O)(=O)c2ccccn2)c1 ZINC001259287209 898583660 /nfs/dbraw/zinc/58/36/60/898583660.db2.gz XIPNQRLLZCGWLZ-UHFFFAOYSA-N -2 0 314.344 1.129 20 0 DDADRL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)C(F)F)c1O ZINC001259958225 898979645 /nfs/dbraw/zinc/97/96/45/898979645.db2.gz ZWFUCANBDGJVML-UHFFFAOYSA-N -2 0 315.681 1.797 20 0 DDADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H](C)CC(=O)[O-] ZINC000262900574 186321768 /nfs/dbraw/zinc/32/17/68/186321768.db2.gz BGICVIUAJDGNAL-VIFPVBQESA-N -2 0 314.363 1.041 20 0 DDADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cnoc2)cc1F ZINC000625086650 366704689 /nfs/dbraw/zinc/70/46/89/366704689.db2.gz KBVPAGDPIPVKFR-UHFFFAOYSA-N -2 0 316.266 1.078 20 0 DDADRL Cc1c(F)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000043321378 183355198 /nfs/dbraw/zinc/35/51/98/183355198.db2.gz FYHTUWHHZLTODI-UHFFFAOYSA-N -2 0 312.322 1.972 20 0 DDADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(C)c(C(=O)[O-])c1 ZINC000106426824 194211491 /nfs/dbraw/zinc/21/14/91/194211491.db2.gz TYSOJARJVWVECZ-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000084147140 407083973 /nfs/dbraw/zinc/08/39/73/407083973.db2.gz UHISTCPCXZVLKO-UHFFFAOYSA-N -2 0 311.281 1.636 20 0 DDADRL CC[C@@H](C)N(CC(=O)[O-])C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000237070521 407793011 /nfs/dbraw/zinc/79/30/11/407793011.db2.gz LZWWOBVMQJOYCZ-LLVKDONJSA-N -2 0 317.345 1.903 20 0 DDADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000263341051 408111854 /nfs/dbraw/zinc/11/18/54/408111854.db2.gz NMLRTJNKKKMIHR-VOBJUBJWSA-N -2 0 312.366 1.382 20 0 DDADRL O=C([N-]N1CCCCC1=O)c1nn(-c2ccccc2)cc1[O-] ZINC000175846922 408220332 /nfs/dbraw/zinc/22/03/32/408220332.db2.gz XFVNFKWFQOMKCF-UHFFFAOYSA-N -2 0 300.318 1.235 20 0 DDADRL Cc1nc(=NC(=O)c2c[n-]c3ccc(C)cc3c2=O)s[n-]1 ZINC000342083231 409557168 /nfs/dbraw/zinc/55/71/68/409557168.db2.gz ZGJSBJZGWUMVDM-UHFFFAOYSA-N -2 0 300.343 1.671 20 0 DDADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000349106110 409697539 /nfs/dbraw/zinc/69/75/39/409697539.db2.gz JBNZRTQQTFUHPC-UHFFFAOYSA-N -2 0 309.347 1.156 20 0 DDADRL Cc1cccc([N-]S(=O)(=O)c2cnc3n2CCC3)c1C(=O)[O-] ZINC000361985278 418734747 /nfs/dbraw/zinc/73/47/47/418734747.db2.gz XQTRFGXGFKQLLQ-UHFFFAOYSA-N -2 0 321.358 1.637 20 0 DDADRL CSc1nc(=NC(=O)NCCC(C)(C)C(=O)[O-])s[n-]1 ZINC000424382255 228261994 /nfs/dbraw/zinc/26/19/94/228261994.db2.gz NVQQGLYDHWKAHY-UHFFFAOYSA-N -2 0 304.397 1.304 20 0 DDADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1 ZINC000433805176 229236155 /nfs/dbraw/zinc/23/61/55/229236155.db2.gz UUKLYNIVBVTWOZ-UHFFFAOYSA-N -2 0 323.326 1.656 20 0 DDADRL CCSc1n[n-]c(=NC(=O)N2CCC[C@@H](C(=O)[O-])C2)s1 ZINC000417740293 420465174 /nfs/dbraw/zinc/46/51/74/420465174.db2.gz XXVKHVNFRAKOOD-SSDOTTSWSA-N -2 0 316.408 1.401 20 0 DDADRL O=C([O-])Cc1ccc(-n2[n-]c(C[C@@H]3CCCO3)cc2=O)cc1 ZINC000634633040 422515941 /nfs/dbraw/zinc/51/59/41/422515941.db2.gz IEAPCFXXMZTWKG-AWEZNQCLSA-N -2 0 302.330 1.976 20 0 DDADRL Cc1cccc(-c2nc(=NCCCc3n[nH]c(=O)[n-]3)s[n-]2)c1 ZINC000631138324 422555177 /nfs/dbraw/zinc/55/51/77/422555177.db2.gz ICNGDJIHOMAYLF-UHFFFAOYSA-N -2 0 316.390 1.804 20 0 DDADRL CC1(C)C[C@@H](S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)CO1 ZINC000629297235 422590629 /nfs/dbraw/zinc/59/06/29/422590629.db2.gz URPUYBDBOOWWCB-MRVPVSSYSA-N -2 0 315.347 1.400 20 0 DDADRL CCCc1n[n-]c(=NC(=O)NC[C@H](C(=O)[O-])C(C)C)s1 ZINC000653534846 423515970 /nfs/dbraw/zinc/51/59/70/423515970.db2.gz ZHWALOGKZSCDSZ-QMMMGPOBSA-N -2 0 300.384 1.391 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2cncnc2)cc(C(=O)[O-])c1C ZINC000362227014 300032420 /nfs/dbraw/zinc/03/24/20/300032420.db2.gz QPUNMLIMAODLKN-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL CC(C)c1ccccc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000557568209 307875767 /nfs/dbraw/zinc/87/57/67/307875767.db2.gz RNPVZDRYVBUUHJ-JTQLQIEISA-N -2 0 315.347 1.016 20 0 DDADRL O=C([O-])COc1ccc(C(=O)NC2(C(=O)[O-])CCCC2)cc1 ZINC000663020394 484606101 /nfs/dbraw/zinc/60/61/01/484606101.db2.gz ALVLUXSIPFEYON-UHFFFAOYSA-N -2 0 307.302 1.277 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)CC1 ZINC000663129869 484692257 /nfs/dbraw/zinc/69/22/57/484692257.db2.gz YOMBAQHUWDIJRZ-CQSZACIVSA-N -2 0 311.378 1.981 20 0 DDADRL CC(C)c1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n1 ZINC000049235771 599801908 /nfs/dbraw/zinc/80/19/08/599801908.db2.gz ALSWQFVVTQFDMN-UHFFFAOYSA-N -2 0 316.360 2.359 20 0 DDADRL Cc1ccc(C(=O)NCCC(=O)NCCCCC(=O)[O-])c(O)c1 ZINC000738515556 599815988 /nfs/dbraw/zinc/81/59/88/599815988.db2.gz YYJYOYCPKXWFDG-UHFFFAOYSA-N -2 0 322.361 1.192 20 0 DDADRL O=C([O-])c1ccc(CCC(=O)NC2(C(=O)[O-])CCCC2)cc1 ZINC000821377497 598195760 /nfs/dbraw/zinc/19/57/60/598195760.db2.gz JJBGDTOHNRDKJQ-UHFFFAOYSA-N -2 0 305.330 1.831 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-])cc1C ZINC000738651513 599797056 /nfs/dbraw/zinc/79/70/56/599797056.db2.gz ATOYZWMLOBXEER-UHFFFAOYSA-N -2 0 314.363 1.156 20 0 DDADRL Cc1cc(C)c(NS(=O)(=O)CCCC(=O)[O-])c(C(=O)[O-])c1 ZINC000738358104 600246256 /nfs/dbraw/zinc/24/62/56/600246256.db2.gz KONXUEMWFYOJMS-UHFFFAOYSA-N -2 0 315.347 1.608 20 0 DDADRL C[C@@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC(C)(C)C ZINC000736547961 600464714 /nfs/dbraw/zinc/46/47/14/600464714.db2.gz HCGRDWINQOQIFL-JTQLQIEISA-N -2 0 307.412 1.760 20 0 DDADRL CCc1sc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1C ZINC000737292236 600466379 /nfs/dbraw/zinc/46/63/79/600466379.db2.gz LXJCNBJOHWFQDS-UHFFFAOYSA-N -2 0 319.404 1.543 20 0 DDADRL C[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccsc1 ZINC000736215087 600510359 /nfs/dbraw/zinc/51/03/59/600510359.db2.gz ITWNSINZQGNGLT-MRVPVSSYSA-N -2 0 305.377 1.162 20 0 DDADRL Cc1oc(C(=O)[O-])cc1CSc1n[n-]c2nc(=O)c(C)nn21 ZINC000738926403 600552142 /nfs/dbraw/zinc/55/21/42/600552142.db2.gz CXDQPEKYAXZIBR-UHFFFAOYSA-N -2 0 321.318 1.013 20 0 DDADRL CC[C@](C)(NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C(=O)[O-] ZINC000736861836 600663646 /nfs/dbraw/zinc/66/36/46/600663646.db2.gz RGCNEYNYBVECKF-INIZCTEOSA-N -2 0 317.345 1.457 20 0 DDADRL O=C([O-])[C@@H]1CCCN(C(=O)CSc2n[n-]c(=S)s2)C1 ZINC000833188800 601281253 /nfs/dbraw/zinc/28/12/53/601281253.db2.gz JOICUMHFVNXCOX-ZCFIWIBFSA-N -2 0 319.433 1.242 20 0 DDADRL CC(C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)no1 ZINC000827113020 601362513 /nfs/dbraw/zinc/36/25/13/601362513.db2.gz UCPBEBBXKDJOBF-UHFFFAOYSA-N -2 0 300.292 1.890 20 0 DDADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000833348546 601363732 /nfs/dbraw/zinc/36/37/32/601363732.db2.gz ZDOHXMZROULXSO-SFYZADRCSA-N -2 0 315.372 1.297 20 0 DDADRL O=C([O-])[C@H](NC(=O)c1cccc(Br)c1[O-])C1CC1 ZINC000833124925 601758539 /nfs/dbraw/zinc/75/85/39/601758539.db2.gz DICXEKFMGKXFQL-SECBINFHSA-N -2 0 314.135 1.748 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccn2)o1 ZINC000236465033 601768957 /nfs/dbraw/zinc/76/89/57/601768957.db2.gz AVVRTCUTKQUHSX-UHFFFAOYSA-N -2 0 302.695 1.827 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])nc1Cl ZINC000833055636 601862548 /nfs/dbraw/zinc/86/25/48/601862548.db2.gz LEIOHJNXCXEUGU-UHFFFAOYSA-N -2 0 321.767 1.634 20 0 DDADRL O=C([O-])N1CCC(CNC(=O)c2c([O-])cc(F)cc2F)CC1 ZINC000740418432 602032645 /nfs/dbraw/zinc/03/26/45/602032645.db2.gz HZUQLAOTJAVRDG-UHFFFAOYSA-N -2 0 314.288 1.790 20 0 DDADRL CCC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000739320715 602671068 /nfs/dbraw/zinc/67/10/68/602671068.db2.gz RDZFXZHAACFZMI-JTQLQIEISA-N -2 0 306.384 1.201 20 0 DDADRL O=C([O-])NC[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)C1CC1 ZINC000740612457 603069841 /nfs/dbraw/zinc/06/98/41/603069841.db2.gz JYPQDVIJWNIDJO-JTQLQIEISA-N -2 0 320.317 1.289 20 0 DDADRL C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)[N-]O[C@H]1CCCCO1 ZINC000739206063 603125605 /nfs/dbraw/zinc/12/56/05/603125605.db2.gz XOAVSRXYFRDGJP-LPEHRKFASA-N -2 0 302.327 1.064 20 0 DDADRL O=C([O-])N1CC[C@@H](NC(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000831600372 603595740 /nfs/dbraw/zinc/59/57/40/603595740.db2.gz ZQFHEJNLRJSERR-SNVBAGLBSA-N -2 0 316.317 1.060 20 0 DDADRL CC(C)(CNC(=O)[O-])C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000823965263 603785505 /nfs/dbraw/zinc/78/55/05/603785505.db2.gz UYNSMNXLQHCNPK-UHFFFAOYSA-N -2 0 306.384 1.059 20 0 DDADRL CC(C)CCS(=O)(=O)[N-]C(=O)CC1(NC(=O)[O-])CCC1 ZINC000824244431 604256668 /nfs/dbraw/zinc/25/66/68/604256668.db2.gz IGUCPNSCEZHCFP-UHFFFAOYSA-N -2 0 306.384 1.059 20 0 DDADRL O=C([O-])C[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2[O-])CCO1 ZINC000833218168 604304503 /nfs/dbraw/zinc/30/45/03/604304503.db2.gz UGXRDACELIZRGV-MRVPVSSYSA-N -2 0 317.700 1.500 20 0 DDADRL O=C([O-])CC[C@H]1CCCN(C(=O)C2(NC(=O)[O-])CCCC2)C1 ZINC000834059926 605306817 /nfs/dbraw/zinc/30/68/17/605306817.db2.gz MBLHZBHDSQDMKP-LLVKDONJSA-N -2 0 312.366 1.670 20 0 DDADRL O=C([O-])N[C@H](CCC(=O)OCc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC000834136829 605954991 /nfs/dbraw/zinc/95/49/91/605954991.db2.gz HJOYCHXUEKSJRM-SNVBAGLBSA-N -2 0 320.305 1.343 20 0 DDADRL O=C([O-])N(CC(=O)[N-]S(=O)(=O)/C=C/c1ccccc1)C1CC1 ZINC000834000901 605981725 /nfs/dbraw/zinc/98/17/25/605981725.db2.gz ATWILTJMYHMROI-CMDGGOBGSA-N -2 0 324.358 1.246 20 0 DDADRL O=C(CN(C(=O)[O-])C1CC1)[N-]S(=O)(=O)CC1CCCCC1 ZINC000834000925 605983005 /nfs/dbraw/zinc/98/30/05/605983005.db2.gz BYJNOGCBTFRPFJ-UHFFFAOYSA-N -2 0 318.395 1.155 20 0 DDADRL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000834014384 606029579 /nfs/dbraw/zinc/02/95/79/606029579.db2.gz IVRUACMLZCHMCT-QWHCGFSZSA-N -2 0 320.345 1.189 20 0 DDADRL O=C([O-])C[C@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])c1ccccc1 ZINC000834059289 606029680 /nfs/dbraw/zinc/02/96/80/606029680.db2.gz AQJUNJMODNLOTF-OLZOCXBDSA-N -2 0 320.345 1.851 20 0 DDADRL O=C([O-])Nc1cccc(C(=O)[N-]S(=O)(=O)CC2CCC2)c1 ZINC000834263629 606030027 /nfs/dbraw/zinc/03/00/27/606030027.db2.gz CZTSGPHQINVBQS-UHFFFAOYSA-N -2 0 312.347 1.636 20 0 DDADRL O=C([O-])c1ccc(CCNC(=O)CN(CC2CC2)C(=O)[O-])cc1 ZINC000834005108 606031099 /nfs/dbraw/zinc/03/10/99/606031099.db2.gz AJXRLLBRPQEEAE-UHFFFAOYSA-N -2 0 320.345 1.434 20 0 DDADRL O=C([O-])C[C@H](NC(=O)CC1CN(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000834061723 606031768 /nfs/dbraw/zinc/03/17/68/606031768.db2.gz YUYKCZZBTYTEQK-LBPRGKRZSA-N -2 0 324.308 1.458 20 0 DDADRL O=C([O-])[C@@H]1CC12CCN(C(=O)[C@H]1CCCN(C(=O)[O-])C1)CC2 ZINC000834057234 606033626 /nfs/dbraw/zinc/03/36/26/606033626.db2.gz BRSLWGUJNYBSHG-QWRGUYRKSA-N -2 0 310.350 1.090 20 0 DDADRL O=C([O-])C[C@@H](NC(=O)CC1CN(C(=O)[O-])C1)c1cccs1 ZINC000834060307 606034488 /nfs/dbraw/zinc/03/44/88/606034488.db2.gz HMSJVILMMQYIGA-SECBINFHSA-N -2 0 312.347 1.380 20 0 DDADRL O=C([O-])NC1(CC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CCC1 ZINC000834154445 606034904 /nfs/dbraw/zinc/03/49/04/606034904.db2.gz GQLQEAZGZSTJCV-SNVBAGLBSA-N -2 0 310.350 1.280 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)c1 ZINC000834066798 606067017 /nfs/dbraw/zinc/06/70/17/606067017.db2.gz WUGJDUDXQFDPBB-JQWIXIFHSA-N -2 0 306.318 1.689 20 0 DDADRL C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000833894928 606069517 /nfs/dbraw/zinc/06/95/17/606069517.db2.gz KKGZKAIKTBEIQP-ZCFIWIBFSA-N -2 0 316.697 1.398 20 0 DDADRL Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)n1 ZINC000125693752 696755078 /nfs/dbraw/zinc/75/50/78/696755078.db2.gz BBJJUIWCZSQWGX-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)C(F)(F)F ZINC000389220624 699088585 /nfs/dbraw/zinc/08/85/85/699088585.db2.gz NCCVVCQQNHYFLS-RXMQYKEDSA-N -2 0 315.244 1.753 20 0 DDADRL O=C([N-]C[C@H]1CCC[C@@H]([N-]C(=O)C(F)(F)F)C1)C(F)(F)F ZINC000732161631 699548714 /nfs/dbraw/zinc/54/87/14/699548714.db2.gz HOGCXKTXGGTDTK-NKWVEPMBSA-N -2 0 320.233 1.902 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])cc1C ZINC000863951968 706044725 /nfs/dbraw/zinc/04/47/25/706044725.db2.gz FVZPKFVHGLTKSH-UHFFFAOYSA-N -2 0 313.375 1.753 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000863955000 706045808 /nfs/dbraw/zinc/04/58/08/706045808.db2.gz WJQOGMRIHVSZPU-TVQRCGJNSA-N -2 0 305.396 1.370 20 0 DDADRL CCc1ccc(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])cc1 ZINC000863958606 706046507 /nfs/dbraw/zinc/04/65/07/706046507.db2.gz DQTPLLKRYPEJOD-UHFFFAOYSA-N -2 0 313.375 1.699 20 0 DDADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000863964525 706047793 /nfs/dbraw/zinc/04/77/93/706047793.db2.gz VQZJTEDTWILQOJ-QOBXEIRBSA-N -2 0 315.391 1.122 20 0 DDADRL Cc1cc(C(=O)[O-])cc(C(=O)[N-]S(=O)(=O)CC(F)F)c1 ZINC000863965709 706047814 /nfs/dbraw/zinc/04/78/14/706047814.db2.gz ZHRWVSWFDNTZRR-UHFFFAOYSA-N -2 0 307.274 1.018 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccnc1 ZINC000871996466 707274387 /nfs/dbraw/zinc/27/43/87/707274387.db2.gz RBHKRIXIVJDGSD-HTRCEHHLSA-N -2 0 312.269 1.078 20 0 DDADRL CC(C)(C)SCCNS(=O)(=O)c1occc1C(=O)[O-] ZINC000871993922 707273321 /nfs/dbraw/zinc/27/33/21/707273321.db2.gz ULXXRVNOEWVVOH-UHFFFAOYSA-N -2 0 307.393 1.788 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(Cl)s2)C1 ZINC000910184964 709801638 /nfs/dbraw/zinc/80/16/38/709801638.db2.gz HIOYBTAULCFBDQ-BQBZGAKWSA-N -2 0 317.750 1.792 20 0 DDADRL Cc1cccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1C ZINC000910186249 709802667 /nfs/dbraw/zinc/80/26/67/709802667.db2.gz PBYCKVKHGGXXLL-WCQYABFASA-N -2 0 305.330 1.693 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)C2CCC(F)(F)CC2)C1 ZINC000910191771 709805896 /nfs/dbraw/zinc/80/58/96/709805896.db2.gz LWEOLNQECGCUPY-ZJUUUORDSA-N -2 0 319.304 1.588 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=NC[C@@H](CC2CC2)C(=O)[O-])cc1 ZINC000910421424 709932727 /nfs/dbraw/zinc/93/27/27/709932727.db2.gz FVJRVKZWAQPKBM-GFCCVEGCSA-N -2 0 301.350 1.305 20 0 DDADRL CCOC(=O)C(F)(F)CNc1ccc(P(=O)([O-])[O-])cc1 ZINC001167850988 739067044 /nfs/dbraw/zinc/06/70/44/739067044.db2.gz QLUVHQPWCJUFGQ-UHFFFAOYSA-N -2 0 309.205 1.100 20 0 DDADRL Cn1cccc1CNC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189900297 745048231 /nfs/dbraw/zinc/04/82/31/745048231.db2.gz ZCVPLDFXUITFOR-UHFFFAOYSA-N -2 0 310.246 1.427 20 0 DDADRL O=C(NCCCC[P@](=O)([O-])O)c1c([O-])c(F)ccc1F ZINC001192721081 745879931 /nfs/dbraw/zinc/87/99/31/745879931.db2.gz XVQFUVBCEQRPNI-UHFFFAOYSA-N -2 0 309.205 1.358 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnccn2)c(F)cc1F ZINC001195189896 746541216 /nfs/dbraw/zinc/54/12/16/746541216.db2.gz PVUDZALKYMHOIS-UHFFFAOYSA-N -2 0 315.257 1.254 20 0 DDADRL COC(=O)c1ccc(NCCOP(=O)([O-])[O-])c(F)c1F ZINC001168596240 751270978 /nfs/dbraw/zinc/27/09/78/751270978.db2.gz RUQHHBTXOURVAV-UHFFFAOYSA-N -2 0 311.177 1.273 20 0 DDADRL CCN(CC)c1ccc(C(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001148279426 773431459 /nfs/dbraw/zinc/43/14/59/773431459.db2.gz OLGMRMPMIJVQOU-UHFFFAOYSA-N -2 0 316.294 1.372 20 0 DDADRL CC(C)Oc1cc(N)n(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001176238715 778088558 /nfs/dbraw/zinc/08/85/58/778088558.db2.gz KWYAKMKSDWGWQW-UHFFFAOYSA-N -2 0 305.290 1.638 20 0 DDADRL O=C(CCCCc1cccs1)NCCOP(=O)([O-])[O-] ZINC001177489976 778618191 /nfs/dbraw/zinc/61/81/91/778618191.db2.gz AWAXWSFOLGKSJJ-UHFFFAOYSA-N -2 0 307.308 1.686 20 0 DDADRL COC(=O)c1cnc(NCCOP(=O)([O-])[O-])c(Cl)c1 ZINC001157787982 864140193 /nfs/dbraw/zinc/14/01/93/864140193.db2.gz UIAGAVSZISQAAD-UHFFFAOYSA-N -2 0 310.630 1.043 20 0 DDADRL CCOC(=O)c1c(C)cc(NCCOP(=O)([O-])[O-])nc1C ZINC001157792225 864145414 /nfs/dbraw/zinc/14/54/14/864145414.db2.gz YASCBKGAGWMXNS-UHFFFAOYSA-N -2 0 318.266 1.396 20 0 DDADRL Cc1cc(Cl)ccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001226880777 882699268 /nfs/dbraw/zinc/69/92/68/882699268.db2.gz CMWODHPNYFUVIZ-KCJUWKMLSA-N -2 0 316.693 1.090 20 0 DDADRL O=C(OCCCCc1ccccc1)[C@H](O)COP(=O)([O-])[O-] ZINC001209833737 875140636 /nfs/dbraw/zinc/14/06/36/875140636.db2.gz VQDGDKGUMDYHBE-GFCCVEGCSA-N -2 0 318.262 1.023 20 0 DDADRL CC1=C[C@@H](Oc2ccc(OP(=O)([O-])[O-])cc2)CC(=O)O1 ZINC001234338976 887882018 /nfs/dbraw/zinc/88/20/18/887882018.db2.gz MSHJMABWSQSAKM-LLVKDONJSA-N -2 0 300.203 1.756 20 0 DDADRL COc1ncnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1OC ZINC001242159091 891355035 /nfs/dbraw/zinc/35/50/35/891355035.db2.gz GDFUYKWVHLYTHB-UHFFFAOYSA-N -2 0 304.258 1.557 20 0 DDADRL COCc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc(C)n1 ZINC001242159694 891355045 /nfs/dbraw/zinc/35/50/45/891355045.db2.gz VPSGKYMUSNFTMX-UHFFFAOYSA-N -2 0 302.286 1.995 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nonc2C2CC2)c1 ZINC001260184421 899079371 /nfs/dbraw/zinc/07/93/71/899079371.db2.gz KOCFSVUSFNAABX-UHFFFAOYSA-N -2 0 309.303 1.446 20 0 DDADRL CN(c1ccc(C(=O)[O-])cc1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000437681096 530035022 /nfs/dbraw/zinc/03/50/22/530035022.db2.gz VXMDWBPHMIQXOA-UHFFFAOYSA-N -2 0 324.314 1.236 20 0 DDADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)c1 ZINC000350472289 539409812 /nfs/dbraw/zinc/40/98/12/539409812.db2.gz CPEUTHDLEPQAFO-UHFFFAOYSA-N -2 0 321.358 1.780 20 0 DDADRL Cc1noc(C)c1S(=O)(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000315481762 354494499 /nfs/dbraw/zinc/49/44/99/354494499.db2.gz ZVXQELPDENAKHQ-GFCCVEGCSA-N -2 0 324.358 1.438 20 0 DDADRL COC(=O)Cc1c(C)[n-]n(-c2cccc(C(=O)[O-])c2C)c1=O ZINC000601949050 358749256 /nfs/dbraw/zinc/74/92/56/358749256.db2.gz JLZPHFONEVXILX-LLVKDONJSA-N -2 0 304.302 1.595 20 0 DDADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccn(C)n2)cc1)C(=O)[O-] ZINC000350728258 284249938 /nfs/dbraw/zinc/24/99/38/284249938.db2.gz AOOSKWQXEPAZMZ-JTQLQIEISA-N -2 0 323.374 1.484 20 0 DDADRL CCc1ccc([N-]S(=O)(=O)c2cn(C)c(C)n2)c(C(=O)[O-])c1 ZINC000264908182 204259747 /nfs/dbraw/zinc/25/97/47/204259747.db2.gz MUGUWQUIRHIICJ-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)c[nH]1 ZINC000110590277 194339851 /nfs/dbraw/zinc/33/98/51/194339851.db2.gz RRTOADDHVIOFTG-UHFFFAOYSA-N -2 0 320.330 1.698 20 0 DDADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cnn(C)c2)c1 ZINC000156294520 408249226 /nfs/dbraw/zinc/24/92/26/408249226.db2.gz IXSQYEPDIJURML-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000274933932 408567770 /nfs/dbraw/zinc/56/77/70/408567770.db2.gz POKTVUDWQSOXGS-JTQLQIEISA-N -2 0 315.347 1.314 20 0 DDADRL Cc1c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cnn1C ZINC000314164339 164013256 /nfs/dbraw/zinc/01/32/56/164013256.db2.gz OCDGRUCDXXSVKQ-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1c([O-])cccc1F ZINC000194313415 222174889 /nfs/dbraw/zinc/17/48/89/222174889.db2.gz CMFVZRTYODIFOF-UHFFFAOYSA-N -2 0 315.264 1.053 20 0 DDADRL CCSc1n[n-]c(=NC(=O)NCCCCCC(=O)[O-])s1 ZINC000417725490 420460999 /nfs/dbraw/zinc/46/09/99/420460999.db2.gz JDKXYJMZGRKTLR-UHFFFAOYSA-N -2 0 318.424 1.839 20 0 DDADRL O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2cc([O-])cc(F)c2)C1 ZINC000630442332 422106474 /nfs/dbraw/zinc/10/64/74/422106474.db2.gz AJEQHPMZBWYOPV-VIFPVBQESA-N -2 0 317.338 1.407 20 0 DDADRL C[C@@H]1CCCN(S(=O)(=O)c2cc([O-])cc(F)c2)[C@H]1C(=O)[O-] ZINC000630445675 422108698 /nfs/dbraw/zinc/10/86/98/422108698.db2.gz ZKACIKJXBFBMGN-PRHODGIISA-N -2 0 317.338 1.405 20 0 DDADRL CC(C)C[C@@H](CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C(=O)[O-] ZINC000646163035 423373833 /nfs/dbraw/zinc/37/38/33/423373833.db2.gz PEFKBDFEOIBVEB-NSHDSACASA-N -2 0 314.382 1.630 20 0 DDADRL CC(C)[C@H](CNC(=O)N1CCC(CCC(=O)[O-])CC1)C(=O)[O-] ZINC000659413707 423817881 /nfs/dbraw/zinc/81/78/81/423817881.db2.gz SJNKNHMFKMBUCE-LBPRGKRZSA-N -2 0 314.382 1.630 20 0 DDADRL Cc1nc(=NC(=O)c2nn(-c3ccccc3F)cc2[O-])s[n-]1 ZINC000440295048 302389840 /nfs/dbraw/zinc/38/98/40/302389840.db2.gz IUOXLWZJCNGPPF-UHFFFAOYSA-N -2 0 319.321 1.551 20 0 DDADRL Cc1cc(C)cc([C@H](NC(=O)N=c2[n-]ncs2)C(=O)[O-])c1 ZINC000570759694 308179081 /nfs/dbraw/zinc/17/90/81/308179081.db2.gz BTGYZDRFCPNSAN-JTQLQIEISA-N -2 0 306.347 1.524 20 0 DDADRL C[C@@H]1CCN(C(=O)N=c2[n-]nc(C(F)F)s2)C[C@H]1C(=O)[O-] ZINC000581072521 308651884 /nfs/dbraw/zinc/65/18/84/308651884.db2.gz SVZBCPXMUSPEMY-PHDIDXHHSA-N -2 0 320.321 1.472 20 0 DDADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C)nc1 ZINC000384144032 483965006 /nfs/dbraw/zinc/96/50/06/483965006.db2.gz FDHPIYONWNTUDY-UHFFFAOYSA-N -2 0 313.360 1.654 20 0 DDADRL CCSc1n[n-]c(=NC(=O)N(C)CCCC(=O)[O-])s1 ZINC000417733238 529259539 /nfs/dbraw/zinc/25/95/39/529259539.db2.gz QHPODRRTOYIXPF-UHFFFAOYSA-N -2 0 304.397 1.401 20 0 DDADRL COc1ncccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000336861723 536903784 /nfs/dbraw/zinc/90/37/84/536903784.db2.gz AEVQRBRGWUPRAG-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1C(N)=O ZINC000738632535 599739947 /nfs/dbraw/zinc/73/99/47/599739947.db2.gz GNJMZRBXHLPBRB-UHFFFAOYSA-N -2 0 324.314 1.186 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccnn2C)sc1C(=O)[O-] ZINC000124114289 600093544 /nfs/dbraw/zinc/09/35/44/600093544.db2.gz GKCSAGGIMUELST-UHFFFAOYSA-N -2 0 301.349 1.289 20 0 DDADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C(C)(C)NC(=O)[O-] ZINC000737496947 600152928 /nfs/dbraw/zinc/15/29/28/600152928.db2.gz SXBQZPZIOOKWIM-UHFFFAOYSA-N -2 0 324.362 1.402 20 0 DDADRL Cc1cc(C([O-])=CS(=O)(=O)[C@@H](C)CC(=O)[O-])c(C)n1C ZINC000738203013 600192637 /nfs/dbraw/zinc/19/26/37/600192637.db2.gz FWWXGEDEVRDLSM-VIFPVBQESA-N -2 0 301.364 1.103 20 0 DDADRL CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736355602 600241831 /nfs/dbraw/zinc/24/18/31/600241831.db2.gz PPSFGZNBUZOCRS-ZETCQYMHSA-N -2 0 305.377 1.543 20 0 DDADRL Cc1ccc(NS(=O)(=O)CCCC(=O)[O-])c(C(=O)[O-])c1 ZINC000738632940 600246504 /nfs/dbraw/zinc/24/65/04/600246504.db2.gz QNYDCLFGNXSRFE-UHFFFAOYSA-N -2 0 301.320 1.300 20 0 DDADRL O=C([O-])c1ccc(C(=O)NC2(c3nnn[n-]3)CCCC2)s1 ZINC000740109714 600539197 /nfs/dbraw/zinc/53/91/97/600539197.db2.gz FJRYMBZMDLELEJ-UHFFFAOYSA-N -2 0 307.335 1.159 20 0 DDADRL CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1F ZINC000828672327 601479673 /nfs/dbraw/zinc/47/96/73/601479673.db2.gz PYKOIYIDXOGMCI-GFCCVEGCSA-N -2 0 307.318 1.887 20 0 DDADRL Cc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)s1 ZINC000833021473 601502990 /nfs/dbraw/zinc/50/29/90/601502990.db2.gz MMBFVXSQQPKDEA-UHFFFAOYSA-N -2 0 303.321 1.247 20 0 DDADRL CCc1cnc([N-]S(=O)(=O)c2csnc2C(=O)[O-])s1 ZINC000830298852 601768908 /nfs/dbraw/zinc/76/89/08/601768908.db2.gz HNLLQVRMWNSXIV-UHFFFAOYSA-N -2 0 319.389 1.661 20 0 DDADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)cn1 ZINC000833294536 601848181 /nfs/dbraw/zinc/84/81/81/601848181.db2.gz IVCUPWVSTIBUGJ-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(C)n1 ZINC000832419701 601851916 /nfs/dbraw/zinc/85/19/16/601851916.db2.gz ZLDSLWFZSALYGV-UHFFFAOYSA-N -2 0 312.303 1.491 20 0 DDADRL O=C([O-])N1CCC[C@@H]1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000740470051 602158606 /nfs/dbraw/zinc/15/86/06/602158606.db2.gz OGZBEPPJTICDOL-SNVBAGLBSA-N -2 0 318.289 1.111 20 0 DDADRL CC[C@@](C)(CC(=O)[O-])NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000828653325 602299141 /nfs/dbraw/zinc/29/91/41/602299141.db2.gz YPQJZBRWFCILJM-INIZCTEOSA-N -2 0 317.345 1.951 20 0 DDADRL Cc1ccc2c(O)c(C(=O)NCCCNC(=O)[O-])cnc2n1 ZINC000740152064 602406492 /nfs/dbraw/zinc/40/64/92/602406492.db2.gz BJCNYWOSWOHPCP-UHFFFAOYSA-N -2 0 304.306 1.031 20 0 DDADRL CCC[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000739321432 602669858 /nfs/dbraw/zinc/66/98/58/602669858.db2.gz VLZSPPMQBOCKII-SNVBAGLBSA-N -2 0 318.326 1.067 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000739303203 602728467 /nfs/dbraw/zinc/72/84/67/602728467.db2.gz ULVSOBJQIGPUDT-UWVGGRQHSA-N -2 0 306.384 1.011 20 0 DDADRL O=C([O-])N1CC[C@H](C(=O)[N-]S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000740456930 602959479 /nfs/dbraw/zinc/95/94/79/602959479.db2.gz LPTVQITUHPNGRW-CRALRDPISA-N -2 0 324.358 1.103 20 0 DDADRL CN(C[C@@H]1CCCN1Cc1nc(=O)c2sccc2[n-]1)C(=O)[O-] ZINC000828229915 603578060 /nfs/dbraw/zinc/57/80/60/603578060.db2.gz JKSJFGXUZDZPKF-VIFPVBQESA-N -2 0 322.390 1.971 20 0 DDADRL O=C([O-])N[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)C2CCCCC2)C1 ZINC000832281085 604246073 /nfs/dbraw/zinc/24/60/73/604246073.db2.gz XRQGTTJCGIWXEA-UWVGGRQHSA-N -2 0 318.395 1.201 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CN(C)C(=O)[O-])cc1 ZINC000830415537 604250321 /nfs/dbraw/zinc/25/03/21/604250321.db2.gz UGSXPHRDUIFYGG-JTQLQIEISA-N -2 0 314.363 1.046 20 0 DDADRL C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000833408382 604880688 /nfs/dbraw/zinc/88/06/88/604880688.db2.gz UKEOOPHTDJVCJY-LURJTMIESA-N -2 0 321.738 1.132 20 0 DDADRL CC(C)(C)OCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000833445846 605401948 /nfs/dbraw/zinc/40/19/48/605401948.db2.gz JMTINONGPQMDHS-UHFFFAOYSA-N -2 0 315.347 1.005 20 0 DDADRL CC(C)(C)OCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833445835 605402498 /nfs/dbraw/zinc/40/24/98/605402498.db2.gz IWQFDJGZANRPGL-UHFFFAOYSA-N -2 0 321.376 1.066 20 0 DDADRL COc1cc(O)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC000833728952 605597240 /nfs/dbraw/zinc/59/72/40/605597240.db2.gz LTIRQAGTTUNRBD-UHFFFAOYSA-N -2 0 313.287 1.493 20 0 DDADRL O=C([O-])C[C@@H]1CCCCN1C(=O)CC1CCN(C(=O)[O-])CC1 ZINC000834061103 605688750 /nfs/dbraw/zinc/68/87/50/605688750.db2.gz OHALBKVGHYGHAG-LBPRGKRZSA-N -2 0 312.366 1.622 20 0 DDADRL O=C([O-])NC1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)CC1 ZINC000834184004 605854429 /nfs/dbraw/zinc/85/44/29/605854429.db2.gz RZSMVRDRQUYTSO-UHFFFAOYSA-N -2 0 318.251 1.682 20 0 DDADRL O=C([O-])NC[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)C1CC1 ZINC000834205724 605857454 /nfs/dbraw/zinc/85/74/54/605857454.db2.gz GXHOSAJRKCMOLX-QMMMGPOBSA-N -2 0 318.251 1.586 20 0 DDADRL O=C([O-])NC1(CC(=O)NCc2ccc(C(=O)[O-])cc2)CCC1 ZINC000834156135 606027693 /nfs/dbraw/zinc/02/76/93/606027693.db2.gz WWOMOMLAPLUYHB-UHFFFAOYSA-N -2 0 306.318 1.581 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CCN(C(=O)[O-])CC1 ZINC000834058338 606030791 /nfs/dbraw/zinc/03/07/91/606030791.db2.gz MDUNWIDSUXOVTI-AVGNSLFASA-N -2 0 324.377 1.621 20 0 DDADRL O=C([O-])N[C@H]1CCC[C@H]1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000834171810 606031851 /nfs/dbraw/zinc/03/18/51/606031851.db2.gz GNLCZUMGJTYJKJ-OLZOCXBDSA-N -2 0 320.345 1.480 20 0 DDADRL O=C([O-])CCN(C(=O)c1ccc(CNC(=O)[O-])cc1)C1CC1 ZINC000834060148 606047148 /nfs/dbraw/zinc/04/71/48/606047148.db2.gz OALHWFCRYFJNSY-UHFFFAOYSA-N -2 0 306.318 1.534 20 0 DDADRL CN(C(=O)CC(C)(C)NC(=O)[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000833868613 606050780 /nfs/dbraw/zinc/05/07/80/606050780.db2.gz DIJIYQKMVRKGKD-GFCCVEGCSA-N -2 0 308.334 1.707 20 0 DDADRL O=C([O-])Cc1ccccc1NC(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000834068083 606052671 /nfs/dbraw/zinc/05/26/71/606052671.db2.gz JPIRGNUDBKCKEG-NSHDSACASA-N -2 0 306.318 1.642 20 0 DDADRL O=C([O-])[C@H](CNC(=O)[C@@H]1CCCCN1C(=O)[O-])c1ccccc1 ZINC000834057245 606064822 /nfs/dbraw/zinc/06/48/22/606064822.db2.gz CFPKOTCYGVBDIA-OLZOCXBDSA-N -2 0 320.345 1.504 20 0 DDADRL O=C([O-])C[C@H](NC(=O)CCNC(=O)[O-])c1ccc(F)cc1F ZINC000834061502 606068174 /nfs/dbraw/zinc/06/81/74/606068174.db2.gz VXVVFCFFKMZVCW-JTQLQIEISA-N -2 0 316.260 1.255 20 0 DDADRL O=C([O-])N[C@H](CC(=O)N1CC[C@H](C(=O)[O-])C1)Cc1ccccc1 ZINC000834122890 606112219 /nfs/dbraw/zinc/11/22/19/606112219.db2.gz VJKLAJFUMTUOGN-STQMWFEESA-N -2 0 320.345 1.189 20 0 DDADRL Cc1cc(C(=O)N[N-]C(=O)c2c([O-])cc(F)cc2F)c(C)o1 ZINC000066041826 696349470 /nfs/dbraw/zinc/34/94/70/696349470.db2.gz VTYPEHNMLDACAY-UHFFFAOYSA-N -2 0 310.256 1.955 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cn1 ZINC000125693976 696755193 /nfs/dbraw/zinc/75/51/93/696755193.db2.gz IUCGMBDQIVPBJZ-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL CC(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@@H]2CCCOC2)c1 ZINC000795343078 699860174 /nfs/dbraw/zinc/86/01/74/699860174.db2.gz FKQMAJMGJVLHOR-LLVKDONJSA-N -2 0 313.375 1.763 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1ccc(-c2ccccc2Cl)o1 ZINC000816733636 702169023 /nfs/dbraw/zinc/16/90/23/702169023.db2.gz GAWDJMMGEAIMEP-UHFFFAOYSA-N -2 0 320.692 1.987 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000863955490 706045913 /nfs/dbraw/zinc/04/59/13/706045913.db2.gz NEUCHLZBUSNIDZ-LLVKDONJSA-N -2 0 305.396 1.512 20 0 DDADRL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)c1 ZINC000863956476 706046342 /nfs/dbraw/zinc/04/63/42/706046342.db2.gz KTGALNXZVSTVCZ-NSHDSACASA-N -2 0 317.338 1.296 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000871770887 707195402 /nfs/dbraw/zinc/19/54/02/707195402.db2.gz OSFBBPIEYSGTAM-RYPBNFRJSA-N -2 0 317.329 1.746 20 0 DDADRL C[C@H](CN(C)C(=O)c1nn(-c2cccc(F)c2)cc1[O-])C(=O)[O-] ZINC000909149831 712947577 /nfs/dbraw/zinc/94/75/77/712947577.db2.gz MFIXPMCPTSTNJR-SECBINFHSA-N -2 0 321.308 1.510 20 0 DDADRL O=C([O-])[C@@H](F)C1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000910134964 709786173 /nfs/dbraw/zinc/78/61/73/709786173.db2.gz UXPXWKQPJMMOEJ-VIFPVBQESA-N -2 0 305.664 1.679 20 0 DDADRL Cc1cc(C)c(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])s1 ZINC000910181452 709800498 /nfs/dbraw/zinc/80/04/98/709800498.db2.gz DMVDUOHKGASFPV-UWVGGRQHSA-N -2 0 311.359 1.755 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(Cl)s1 ZINC000910184966 709801643 /nfs/dbraw/zinc/80/16/43/709801643.db2.gz HIOYBTAULCFBDQ-NKWVEPMBSA-N -2 0 317.750 1.792 20 0 DDADRL C[C@H](CC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])n1cccc1 ZINC000910188605 709803480 /nfs/dbraw/zinc/80/34/80/709803480.db2.gz MUXLUSPPRQAHTP-UTUOFQBUSA-N -2 0 308.334 1.216 20 0 DDADRL Cc1ccc(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC000910190278 709804477 /nfs/dbraw/zinc/80/44/77/709804477.db2.gz VUFPBFYWGKATPQ-QWHCGFSZSA-N -2 0 305.330 1.314 20 0 DDADRL CC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(F)cc(F)c2[O-])C1=O ZINC000935751614 715126186 /nfs/dbraw/zinc/12/61/86/715126186.db2.gz UXBBBLONNLMEKR-ZDUSSCGKSA-N -2 0 313.260 1.036 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])[C@@H]1C[C@@H]1c1ccccc1F ZINC001182284088 743551717 /nfs/dbraw/zinc/55/17/17/743551717.db2.gz CFCQBUNZVSJSCG-NXEZZACHSA-N -2 0 303.226 1.155 20 0 DDADRL O=C(NCc1cc[nH]c(=O)c1)c1ccccc1OP(=O)([O-])[O-] ZINC001189899762 745048435 /nfs/dbraw/zinc/04/84/35/745048435.db2.gz HIQQGQNTOUFGOH-UHFFFAOYSA-N -2 0 324.229 1.189 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnn2)c(F)cc1F ZINC001195189681 746541204 /nfs/dbraw/zinc/54/12/04/746541204.db2.gz NIJCJJRDJBZKMB-UHFFFAOYSA-N -2 0 315.257 1.254 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CC2(F)F)c(F)cc1F ZINC001195245411 746555030 /nfs/dbraw/zinc/55/50/30/746555030.db2.gz RCUTZASMYLWVAJ-QMMMGPOBSA-N -2 0 313.228 1.349 20 0 DDADRL COc1ccc2c(C)nc(NCCOP(=O)([O-])[O-])nc2c1 ZINC001168585679 751174296 /nfs/dbraw/zinc/17/42/96/751174296.db2.gz BPCXCDAAIZXIHT-UHFFFAOYSA-N -2 0 313.250 1.468 20 0 DDADRL Cc1cc(NCCOP(=O)([O-])[O-])ccc1N1CCOCC1 ZINC001168591577 751219697 /nfs/dbraw/zinc/21/96/97/751219697.db2.gz CADVWUOKOLUCQJ-UHFFFAOYSA-N -2 0 316.294 1.353 20 0 DDADRL Cc1cc(C=O)c([O-])c(C(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC001136072682 771863360 /nfs/dbraw/zinc/86/33/60/771863360.db2.gz ABNPVXXSOLOQLK-UHFFFAOYSA-N -2 0 323.312 1.946 20 0 DDADRL O=C(Cn1nn[n-]c1=S)Nc1ccc2[n-]c(=S)sc2c1 ZINC001177740842 778717704 /nfs/dbraw/zinc/71/77/04/778717704.db2.gz HDRAQZQTZNTEIT-UHFFFAOYSA-N -2 0 324.416 1.499 20 0 DDADRL Cc1ccc(C(C)C)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225224183 881730055 /nfs/dbraw/zinc/73/00/55/881730055.db2.gz AFIOQFFKUMNZQL-RISCZKNCSA-N -2 0 324.329 1.560 20 0 DDADRL COC(OC)c1cc(C)cnc1NCCOP(=O)([O-])[O-] ZINC001157791079 864143930 /nfs/dbraw/zinc/14/39/30/864143930.db2.gz HZKPMRXWDGEJPZ-UHFFFAOYSA-N -2 0 306.255 1.203 20 0 DDADRL Cc1ccc(C(C)C)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001227944620 883247182 /nfs/dbraw/zinc/24/71/82/883247182.db2.gz CQTCCIWCIJBLPY-FZMZJTMJSA-N -2 0 324.329 1.560 20 0 DDADRL O=C([O-])CC[C@@H](O)C(=O)Oc1cc([O-])c(Cl)cc1Cl ZINC001229411820 883968109 /nfs/dbraw/zinc/96/81/09/883968109.db2.gz VGHZOWUFPRWGEG-SSDOTTSWSA-N -2 0 309.101 1.830 20 0 DDADRL O=C(c1ccc(Cl)c([O-])c1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001362588033 884162038 /nfs/dbraw/zinc/16/20/38/884162038.db2.gz WKPZQODBEQJARJ-VIFPVBQESA-N -2 0 322.752 1.889 20 0 DDADRL O=C(c1ccc(Cl)c([O-])c1)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001364049355 887796827 /nfs/dbraw/zinc/79/68/27/887796827.db2.gz DXTPEGXCWXBDKK-VIFPVBQESA-N -2 0 321.768 1.654 20 0 DDADRL CO[C@@H](C)CO[C@H](C)COc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234337267 887881742 /nfs/dbraw/zinc/88/17/42/887881742.db2.gz YRPUTLIUPKGXNT-WDEREUQCSA-N -2 0 320.278 1.977 20 0 DDADRL COc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(C(N)=O)c1 ZINC001242162143 891355446 /nfs/dbraw/zinc/35/54/46/891355446.db2.gz AWKDJNUDCKZIKL-UHFFFAOYSA-N -2 0 315.281 1.858 20 0 DDADRL Cc1cc(C(N)=O)cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242160594 891356916 /nfs/dbraw/zinc/35/69/16/891356916.db2.gz OTNGLTKLQOUCLZ-UHFFFAOYSA-N -2 0 300.270 1.552 20 0 DDADRL COCCOc1ncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001242163879 891358117 /nfs/dbraw/zinc/35/81/17/891358117.db2.gz PQOCYGNTSUTOCX-UHFFFAOYSA-N -2 0 318.285 1.565 20 0 DDADRL NC(=O)c1ccc(F)cc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242163997 891358332 /nfs/dbraw/zinc/35/83/32/891358332.db2.gz WILZJKGCDVMLNG-UHFFFAOYSA-N -2 0 303.245 1.988 20 0 DDADRL COc1ccc(C(=O)[O-])cc1-c1cccc(S(=O)(=O)[O-])n1 ZINC001242388169 891404432 /nfs/dbraw/zinc/40/44/32/891404432.db2.gz IYFJUYPEPPVBLM-UHFFFAOYSA-N -2 0 309.299 1.702 20 0 DDADRL COc1nc(OC)c(-c2ccc(P(=O)([O-])[O-])cc2)cc1C ZINC001245797801 892248023 /nfs/dbraw/zinc/24/80/23/892248023.db2.gz ZKPPMLSOIKLSFQ-UHFFFAOYSA-N -2 0 309.258 1.877 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3nccn32)cc1 ZINC001260220762 899092550 /nfs/dbraw/zinc/09/25/50/899092550.db2.gz MBRJIARTBRONLJ-UHFFFAOYSA-N -2 0 317.326 1.833 20 0 DDADRL CC(=O)c1nn(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260221961 899096615 /nfs/dbraw/zinc/09/66/15/899096615.db2.gz CYCDPXKLWDWSEE-UHFFFAOYSA-N -2 0 323.330 1.122 20 0 DDADRL Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260392844 899134370 /nfs/dbraw/zinc/13/43/70/899134370.db2.gz SCBCQGNDUSHZKC-UHFFFAOYSA-N -2 0 312.303 1.496 20 0 DDADRL CCC(CC)(CNC(=O)NC[C@@H](CC(C)C)C(=O)[O-])C(=O)[O-] ZINC000424421888 282100201 /nfs/dbraw/zinc/10/02/01/282100201.db2.gz DXOMFHQMROMMRR-LLVKDONJSA-N -2 0 316.398 1.924 20 0 DDADRL CCCN(CC(=O)[O-])C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000263447803 283108139 /nfs/dbraw/zinc/10/81/39/283108139.db2.gz RLFSPMNGCYIKRJ-VIFPVBQESA-N -2 0 312.288 1.013 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)c[nH]1 ZINC000608343517 360161077 /nfs/dbraw/zinc/16/10/77/360161077.db2.gz BWRHFILAFMTRLZ-UHFFFAOYSA-N -2 0 310.335 1.120 20 0 DDADRL O=C([O-])[C@@H]1C=C[C@H]([N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000092181581 193171156 /nfs/dbraw/zinc/17/11/56/193171156.db2.gz GDDIXXGJULPMHQ-SFYZADRCSA-N -2 0 303.286 1.272 20 0 DDADRL O=C([O-])c1cnc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cn1 ZINC000261715565 304275872 /nfs/dbraw/zinc/27/58/72/304275872.db2.gz VYKIIGJAHCNKJE-ZHAHWJHGSA-N -2 0 319.317 1.033 20 0 DDADRL CC(=O)c1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000037464059 406989534 /nfs/dbraw/zinc/98/95/34/406989534.db2.gz SOIXXJKBLXFCSB-UHFFFAOYSA-N -2 0 308.315 1.716 20 0 DDADRL Cc1ncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)s1 ZINC000229619147 407667602 /nfs/dbraw/zinc/66/76/02/407667602.db2.gz NZVZAULBTIVJQE-UHFFFAOYSA-N -2 0 314.344 1.656 20 0 DDADRL C[C@@H]1CN(C(=O)c2nn(-c3ccccc3)cc2[O-])C[C@H]1C(=O)[O-] ZINC000263161346 408042175 /nfs/dbraw/zinc/04/21/75/408042175.db2.gz IJCKRVGKBPHJNN-ZYHUDNBSSA-N -2 0 315.329 1.371 20 0 DDADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cncnc2)cc1C(=O)[O-] ZINC000231773384 163351349 /nfs/dbraw/zinc/35/13/49/163351349.db2.gz DRXODHUSTAHPQI-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000297098481 409800761 /nfs/dbraw/zinc/80/07/61/409800761.db2.gz YVBYGTUZTGDCHJ-YFKPBYRVSA-N -2 0 319.726 1.018 20 0 DDADRL O=C([O-])CCc1cccc(NC(=O)c2cnc(C(=O)[O-])cn2)c1 ZINC000338410839 409965294 /nfs/dbraw/zinc/96/52/94/409965294.db2.gz VABVIPKEKDHQAS-UHFFFAOYSA-N -2 0 315.285 1.444 20 0 DDADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1O ZINC000340232765 410782129 /nfs/dbraw/zinc/78/21/29/410782129.db2.gz RWFJNMWCDJSWBI-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC000647734002 423020303 /nfs/dbraw/zinc/02/03/03/423020303.db2.gz ODXHDJQJFZVVSI-JTQLQIEISA-N -2 0 306.318 1.497 20 0 DDADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N(C)CC(=O)[O-] ZINC000547455725 421332322 /nfs/dbraw/zinc/33/23/22/421332322.db2.gz LLIAETILJOMUHV-UHFFFAOYSA-N -2 0 321.738 1.052 20 0 DDADRL C[C@@H]1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)C[C@H]1C(=O)[O-] ZINC000570206805 421631606 /nfs/dbraw/zinc/63/16/06/421631606.db2.gz BGYJKUYIFITRHJ-HBIQZDMRSA-N -2 0 312.366 1.382 20 0 DDADRL O=C([O-])[C@@]1(CN=c2[n-]nc(-c3ccccn3)s2)CCCOC1 ZINC000630462232 422117194 /nfs/dbraw/zinc/11/71/94/422117194.db2.gz APCWGSBHPIHLNI-CQSZACIVSA-N -2 0 320.374 1.315 20 0 DDADRL O=C([O-])c1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cn1 ZINC000653278808 423416816 /nfs/dbraw/zinc/41/68/16/423416816.db2.gz QMQGZUGYASAUPS-BIMULSAOSA-N -2 0 318.329 1.638 20 0 DDADRL CC(C)Cc1n[n-]c(=NC(=O)c2ccc3oc(=O)nc-3[n-]2)s1 ZINC000646625202 423552180 /nfs/dbraw/zinc/55/21/80/423552180.db2.gz BDZPDQBEAQNWAX-UHFFFAOYSA-N -2 0 319.346 1.653 20 0 DDADRL C[C@@](O)(CN=c1nc(-c2cc(F)cc(F)c2)[n-]s1)C(=O)[O-] ZINC000647456421 424037956 /nfs/dbraw/zinc/03/79/56/424037956.db2.gz OJNNMRDFQVEEIN-GFCCVEGCSA-N -2 0 315.301 1.153 20 0 DDADRL O=C([O-])C1(CN=c2[n-]nc(-c3ccccc3)s2)CCOCC1 ZINC000647457945 424044370 /nfs/dbraw/zinc/04/43/70/424044370.db2.gz JCUWWIBPYNMWCB-UHFFFAOYSA-N -2 0 319.386 1.920 20 0 DDADRL CC(C)C[C@H](CNC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1)C(=O)[O-] ZINC000424429772 279152491 /nfs/dbraw/zinc/15/24/91/279152491.db2.gz KMXZXHDIHLPWOX-QJPTWQEYSA-N -2 0 314.382 1.486 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2cccnc2)c(C(=O)[O-])c1 ZINC000148545169 281648130 /nfs/dbraw/zinc/64/81/30/281648130.db2.gz DCPIKGYURCJFQV-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000575992668 304745157 /nfs/dbraw/zinc/74/51/57/304745157.db2.gz FTVVWIOICZRSIS-OIBJUYFYSA-N -2 0 301.320 1.010 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-] ZINC000548220240 307760367 /nfs/dbraw/zinc/76/03/67/307760367.db2.gz ZGZIIAHTUXVAPG-JGVFFNPUSA-N -2 0 305.318 1.890 20 0 DDADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000663119752 484684338 /nfs/dbraw/zinc/68/43/38/484684338.db2.gz MSMUDSHHVUDGAA-NVGCLXPQSA-N -2 0 317.341 1.917 20 0 DDADRL O=C([O-])[C@H]1CN(C(=O)C2(C(=O)[O-])CC=CC2)Cc2ccccc21 ZINC000663133787 484694080 /nfs/dbraw/zinc/69/40/80/484694080.db2.gz UMPFBXCUGHURAX-ZDUSSCGKSA-N -2 0 315.325 1.618 20 0 DDADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)NCCC(=O)[O-] ZINC000818475619 597225405 /nfs/dbraw/zinc/22/54/05/597225405.db2.gz NHKADUMLLNSJSJ-UHFFFAOYSA-N -2 0 310.335 1.013 20 0 DDADRL O=C(C[C@]1(C(=O)[O-])CCSC1)NC1CCC(C(=O)[O-])CC1 ZINC000821374845 598133251 /nfs/dbraw/zinc/13/32/51/598133251.db2.gz WFKMRWYMLUHBMM-RPFQZYLTSA-N -2 0 315.391 1.344 20 0 DDADRL COc1ccc(-n2cc([O-])c(C(=O)N(C)[C@H](C)C(=O)[O-])n2)cc1 ZINC000820805351 598220549 /nfs/dbraw/zinc/22/05/49/598220549.db2.gz UXPAPBIILDVMTL-SECBINFHSA-N -2 0 319.317 1.132 20 0 DDADRL COCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000037013246 599735272 /nfs/dbraw/zinc/73/52/72/599735272.db2.gz GHCRWPYOPAZQBN-UHFFFAOYSA-N -2 0 311.315 1.925 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](NC(=O)[O-])C(C)C)cc1 ZINC000738653504 599884169 /nfs/dbraw/zinc/88/41/69/599884169.db2.gz WQPSQJMSMVWYEN-LLVKDONJSA-N -2 0 314.363 1.092 20 0 DDADRL CCn1nccc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000737312189 600054439 /nfs/dbraw/zinc/05/44/39/600054439.db2.gz MKCRPPUEHFPNJK-UHFFFAOYSA-N -2 0 313.335 1.612 20 0 DDADRL O=C([O-])Nc1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2)c1 ZINC000740033192 600056564 /nfs/dbraw/zinc/05/65/64/600056564.db2.gz GRCVMTKHQPTJGJ-UHFFFAOYSA-N -2 0 320.326 1.895 20 0 DDADRL CC(C)[C@H](NC(=O)[O-])C(=O)OCC(=O)[N-]OCc1ccccc1 ZINC000736378035 600211119 /nfs/dbraw/zinc/21/11/19/600211119.db2.gz HPBQSQWOZXNFFZ-ZDUSSCGKSA-N -2 0 324.333 1.070 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1C(=O)[O-] ZINC000738828577 600231071 /nfs/dbraw/zinc/23/10/71/600231071.db2.gz GPIKJGCRDXJVSK-UHFFFAOYSA-N -2 0 317.273 1.495 20 0 DDADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(CNC(=O)[O-])cc1 ZINC000738822850 600302634 /nfs/dbraw/zinc/30/26/34/600302634.db2.gz FCBCXXVAMFMTRX-UHFFFAOYSA-N -2 0 324.362 1.595 20 0 DDADRL O=C([O-])[C@H]1CC12CCN(C(=O)c1c([O-])cc(F)cc1F)CC2 ZINC000739528764 600319870 /nfs/dbraw/zinc/31/98/70/600319870.db2.gz XGZXXDXFOUFYQR-SECBINFHSA-N -2 0 311.284 1.997 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cccc(Cl)c1 ZINC000739692099 600463396 /nfs/dbraw/zinc/46/33/96/600463396.db2.gz MITZAQIPAGQYPY-UHFFFAOYSA-N -2 0 305.739 1.264 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cn2)cc1C(=O)[O-] ZINC000314934136 600828979 /nfs/dbraw/zinc/82/89/79/600828979.db2.gz SDLAJOOFEZJFMC-UHFFFAOYSA-N -2 0 317.326 1.761 20 0 DDADRL O=C([O-])[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cccs2)C1 ZINC000833183181 601235743 /nfs/dbraw/zinc/23/57/43/601235743.db2.gz AHRSSLOLCJGUJL-BDAKNGLRSA-N -2 0 317.388 1.444 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000828858948 601239918 /nfs/dbraw/zinc/23/99/18/601239918.db2.gz IPGQSWJVCMPBFY-RYUDHWBXSA-N -2 0 319.423 1.760 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000829209169 601239933 /nfs/dbraw/zinc/23/99/33/601239933.db2.gz RMDPELOLQHXFRO-SRVKXCTJSA-N -2 0 319.423 1.760 20 0 DDADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000833348544 601363627 /nfs/dbraw/zinc/36/36/27/601363627.db2.gz ZDOHXMZROULXSO-HTQZYQBOSA-N -2 0 315.372 1.297 20 0 DDADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2cc3ccccc3o2)cn1 ZINC000833275073 601558139 /nfs/dbraw/zinc/55/81/39/601558139.db2.gz QGUSHUMUEXZXDE-UHFFFAOYSA-N -2 0 321.314 1.515 20 0 DDADRL O=C(C=C1CCC1)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833092659 601598307 /nfs/dbraw/zinc/59/83/07/601598307.db2.gz JFZCLETUZADVFS-UHFFFAOYSA-N -2 0 301.345 1.362 20 0 DDADRL Cc1cc(C([O-])=CS(=O)(=O)CCCC(=O)[O-])c(C)n1C ZINC000832859173 601638138 /nfs/dbraw/zinc/63/81/38/601638138.db2.gz INGPLHITUXFSKX-UHFFFAOYSA-N -2 0 301.364 1.104 20 0 DDADRL O=C([O-])[C@H]1CCCCN1C(=O)CSc1n[n-]c(=S)s1 ZINC000821509370 601743691 /nfs/dbraw/zinc/74/36/91/601743691.db2.gz CKVUDKOZYYGOGE-ZCFIWIBFSA-N -2 0 319.433 1.385 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cn1 ZINC000080308559 601834975 /nfs/dbraw/zinc/83/49/75/601834975.db2.gz HYBDOQRROAOANQ-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000827303269 602190670 /nfs/dbraw/zinc/19/06/70/602190670.db2.gz CMTBXIVBOUNXOE-VIFPVBQESA-N -2 0 322.342 1.151 20 0 DDADRL O=C([O-])N1CCC[C@H]1C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000740462024 602325953 /nfs/dbraw/zinc/32/59/53/602325953.db2.gz ZOZSFXWHCIUSOH-JTQLQIEISA-N -2 0 318.289 1.111 20 0 DDADRL CC[C@H](NC(=O)[O-])C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000739531090 602473285 /nfs/dbraw/zinc/47/32/85/602473285.db2.gz PIQBRKVSEAGVBM-VIFPVBQESA-N -2 0 306.278 1.015 20 0 DDADRL CN(C[C@@H]1CCN(C(=O)c2c([O-])cc(F)cc2F)C1)C(=O)[O-] ZINC000739657769 602575445 /nfs/dbraw/zinc/57/54/45/602575445.db2.gz MAWZWHOICMZZMK-QMMMGPOBSA-N -2 0 314.288 1.742 20 0 DDADRL CCCS(=O)(=O)[N-]C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739372537 602970021 /nfs/dbraw/zinc/97/00/21/602970021.db2.gz HMRUGYBETPATIZ-UHFFFAOYSA-N -2 0 320.754 1.900 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)C(C)(C)CNC(=O)[O-] ZINC000826571814 603787974 /nfs/dbraw/zinc/78/79/74/603787974.db2.gz MQBGYCHGOOOBET-UHFFFAOYSA-N -2 0 308.400 1.162 20 0 DDADRL O=C([O-])N1CCc2c1cccc2[N-]S(=O)(=O)c1c[nH]cn1 ZINC000832080120 604015565 /nfs/dbraw/zinc/01/55/65/604015565.db2.gz RGISRQURXBIGQH-UHFFFAOYSA-N -2 0 308.319 1.251 20 0 DDADRL O=C([O-])N[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)C2CCCCC2)C1 ZINC000832281089 604245975 /nfs/dbraw/zinc/24/59/75/604245975.db2.gz XRQGTTJCGIWXEA-ZJUUUORDSA-N -2 0 318.395 1.201 20 0 DDADRL CC(C)C[C@@H](NC(=O)[O-])C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000826799930 604369169 /nfs/dbraw/zinc/36/91/69/604369169.db2.gz CAGCYTZISNBMCM-GFCCVEGCSA-N -2 0 308.334 1.683 20 0 DDADRL CC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000827524593 605232659 /nfs/dbraw/zinc/23/26/59/605232659.db2.gz NSUXJARFVGODIU-JTQLQIEISA-N -2 0 306.384 1.059 20 0 DDADRL Cc1cc(C(=O)[N-]S(=O)(=O)CC(C)C)ccc1NC(=O)[O-] ZINC000829962268 605350318 /nfs/dbraw/zinc/35/03/18/605350318.db2.gz ZITNROKGWVUZGJ-UHFFFAOYSA-N -2 0 314.363 1.801 20 0 DDADRL O=C([O-])NC[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)C1CC1 ZINC000834205723 605857554 /nfs/dbraw/zinc/85/75/54/605857554.db2.gz GXHOSAJRKCMOLX-MRVPVSSYSA-N -2 0 318.251 1.586 20 0 DDADRL CC1(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CCCCCC1 ZINC000833553191 605904489 /nfs/dbraw/zinc/90/44/89/605904489.db2.gz POJMQPRSIUMYFS-UHFFFAOYSA-N -2 0 305.396 1.658 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CN(CC1CC1)C(=O)[O-] ZINC000834057894 606030748 /nfs/dbraw/zinc/03/07/48/606030748.db2.gz ITXYHAUVTXLFLI-AVGNSLFASA-N -2 0 324.377 1.621 20 0 DDADRL O=C([O-])c1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000834283934 606032139 /nfs/dbraw/zinc/03/21/39/606032139.db2.gz ZGVRUKODSPMVIC-LBPRGKRZSA-N -2 0 306.318 1.186 20 0 DDADRL CC(C)[C@H](NC(=O)C[C@H](Cc1ccccc1)NC(=O)[O-])C(=O)[O-] ZINC000833792227 606032298 /nfs/dbraw/zinc/03/22/98/606032298.db2.gz BUKFGPBIFPATRB-JSGCOSHPSA-N -2 0 322.361 1.481 20 0 DDADRL O=C([O-])CN(Cc1ccccc1)C(=O)CC1CN(C(=O)[O-])C1 ZINC000834065584 606048420 /nfs/dbraw/zinc/04/84/20/606048420.db2.gz NFNYQMVWCMVXOB-UHFFFAOYSA-N -2 0 306.318 1.100 20 0 DDADRL CCCN(CC(=O)[O-])C(=O)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833854608 606049711 /nfs/dbraw/zinc/04/97/11/606049711.db2.gz XVFGKFJTKAXPMU-GFCCVEGCSA-N -2 0 308.334 1.709 20 0 DDADRL O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000834061704 606052862 /nfs/dbraw/zinc/05/28/62/606052862.db2.gz YGSDOEOVLSHWTA-AAEUAGOBSA-N -2 0 318.329 1.197 20 0 DDADRL Cc1oc(CN(C)C(=O)[C@H](C)CN(C)C(=O)[O-])cc1C(=O)[O-] ZINC000833934286 606055476 /nfs/dbraw/zinc/05/54/76/606055476.db2.gz FBVIUHPWWLIXKJ-MRVPVSSYSA-N -2 0 312.322 1.491 20 0 DDADRL O=C([O-])CCCCCCNC(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000834058884 606056305 /nfs/dbraw/zinc/05/63/05/606056305.db2.gz FUCXFFLZDIADAX-LLVKDONJSA-N -2 0 300.355 1.528 20 0 DDADRL O=C([O-])[C@@H](CNC(=O)[C@@H]1CSCN1C(=O)[O-])c1ccccc1 ZINC000834057186 606065292 /nfs/dbraw/zinc/06/52/92/606065292.db2.gz BCWMTVXNQOQELS-QWRGUYRKSA-N -2 0 324.358 1.024 20 0 DDADRL O=C([O-])[C@@H]1CN(C(=O)CC2CN(C(=O)[O-])C2)Cc2ccccc21 ZINC000834060085 606112783 /nfs/dbraw/zinc/11/27/83/606112783.db2.gz GALYIKSTOQTNIG-CYBMUJFWSA-N -2 0 318.329 1.197 20 0 DDADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000383770946 699070341 /nfs/dbraw/zinc/07/03/41/699070341.db2.gz GPKFOUFZABBXEQ-UHFFFAOYSA-N -2 0 305.711 1.400 20 0 DDADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)C1CC=CC1 ZINC000740291295 699789612 /nfs/dbraw/zinc/78/96/12/699789612.db2.gz ZFYJBCBRDZCJBP-UHFFFAOYSA-N -2 0 301.345 1.217 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1ccc2ccc(Cl)cc2n1 ZINC000816732014 702168200 /nfs/dbraw/zinc/16/82/00/702168200.db2.gz OJIBAOAFJZHXPT-UHFFFAOYSA-N -2 0 305.681 1.275 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1sc2ccccc2c1Cl ZINC000816733917 702169239 /nfs/dbraw/zinc/16/92/39/702169239.db2.gz RADLTYKMBXCOCR-UHFFFAOYSA-N -2 0 310.722 1.941 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)nn1C ZINC000817352735 702348518 /nfs/dbraw/zinc/34/85/18/702348518.db2.gz LPUUWDXYXYDZCK-UHFFFAOYSA-N -2 0 313.335 1.383 20 0 DDADRL Cc1cc(NC(=O)C(=O)[N-]OCCC2CC2)ccc1C(=O)[O-] ZINC000817880955 702507424 /nfs/dbraw/zinc/50/74/24/702507424.db2.gz IFAUBGJNGMFQKC-UHFFFAOYSA-N -2 0 306.318 1.480 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)s1 ZINC000863953484 706045528 /nfs/dbraw/zinc/04/55/28/706045528.db2.gz WDKJTAXBNNYHOX-SECBINFHSA-N -2 0 319.404 1.608 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC=CC1 ZINC000863954832 706045959 /nfs/dbraw/zinc/04/59/59/706045959.db2.gz OEAUTSXTIZIANL-SNVBAGLBSA-N -2 0 303.380 1.290 20 0 DDADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)C1CCCC1)C1CCCC1 ZINC000863957351 706046299 /nfs/dbraw/zinc/04/62/99/706046299.db2.gz YAYPVQRWXAWWMI-NSHDSACASA-N -2 0 303.380 1.266 20 0 DDADRL O=C([O-])[C@@H]1CSCCN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000910145378 709790319 /nfs/dbraw/zinc/79/03/19/709790319.db2.gz APCWKNVWSCFEFI-VIFPVBQESA-N -2 0 315.778 1.935 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)C1CC2(CC2(F)F)C1 ZINC000910181772 709800170 /nfs/dbraw/zinc/80/01/70/709800170.db2.gz FKZOSYDZKUFMNP-RSAQKFLCSA-N -2 0 317.288 1.198 20 0 DDADRL Cc1ccc(C)c(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910185710 709802092 /nfs/dbraw/zinc/80/20/92/709802092.db2.gz KBQHQCUFDSIGPO-YPMHNXCESA-N -2 0 305.330 1.693 20 0 DDADRL Cc1ccc(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1C ZINC000910192182 709805571 /nfs/dbraw/zinc/80/55/71/709805571.db2.gz OVXIXQWIIXMPOH-UONOGXRCSA-N -2 0 319.357 1.622 20 0 DDADRL C[C@H]1CCN(C(=O)Cc2ccccc2C(=O)[O-])C[C@H]1C(=O)[O-] ZINC000901696034 710121761 /nfs/dbraw/zinc/12/17/61/710121761.db2.gz MHWAZUKRLMRRPD-GXFFZTMASA-N -2 0 305.330 1.497 20 0 DDADRL O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000911636053 710894540 /nfs/dbraw/zinc/89/45/40/710894540.db2.gz MGFJTESLSYWHOB-NXEZZACHSA-N -2 0 317.700 1.235 20 0 DDADRL O=C([O-])CCN(C1CC1)S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000906789306 712412083 /nfs/dbraw/zinc/41/20/83/712412083.db2.gz SPTLHTKPDKQMFO-UHFFFAOYSA-N -2 0 319.766 1.673 20 0 DDADRL CCCC[C@@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)C(=O)[O-] ZINC000917718332 713511273 /nfs/dbraw/zinc/51/12/73/713511273.db2.gz SXCPYZAQVDRSIS-MRVPVSSYSA-N -2 0 321.376 1.368 20 0 DDADRL O=[P@@]([O-])(O)C1(Nc2ccncc2F)Cc2ccccc2C1 ZINC001167935019 739727199 /nfs/dbraw/zinc/72/71/99/739727199.db2.gz NHZSBRKJGKCUJJ-UHFFFAOYSA-N -2 0 308.249 1.727 20 0 DDADRL O=S(=O)([O-])c1ccc([N-]S(=O)(=O)c2nccs2)cc1 ZINC001187894098 744625596 /nfs/dbraw/zinc/62/55/96/744625596.db2.gz BYOIRKDRCVYHCB-UHFFFAOYSA-N -2 0 320.373 1.191 20 0 DDADRL C[C@@]1(NC(=O)c2ccccc2OP(=O)([O-])[O-])CCCOC1 ZINC001189904948 745022835 /nfs/dbraw/zinc/02/28/35/745022835.db2.gz KCLOLKLLLXGXGY-CYBMUJFWSA-N -2 0 315.262 1.457 20 0 DDADRL CC(=O)[C@@H]1CCN(C(=O)c2ccccc2OP(=O)([O-])[O-])C1 ZINC001189886989 745042421 /nfs/dbraw/zinc/04/24/21/745042421.db2.gz KYWUWHBBRSCHDT-SNVBAGLBSA-N -2 0 313.246 1.209 20 0 DDADRL C[C@@H]1COCC[C@H]1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189898448 745047594 /nfs/dbraw/zinc/04/75/94/745047594.db2.gz CEWHXUSYFBTBAG-MWLCHTKSSA-N -2 0 315.262 1.313 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccon2)c(F)cc1F ZINC001195184800 746540533 /nfs/dbraw/zinc/54/05/33/746540533.db2.gz CXNQVFAPDUMRDN-UHFFFAOYSA-N -2 0 304.230 1.452 20 0 DDADRL Cc1nonc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195194604 746547237 /nfs/dbraw/zinc/54/72/37/746547237.db2.gz JIMWPNSPUHLRMT-UHFFFAOYSA-N -2 0 319.245 1.155 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1ccc(Cl)nc1C1CC1 ZINC001197276635 747122727 /nfs/dbraw/zinc/12/27/27/747122727.db2.gz KYBAZNQXFPTBKA-UHFFFAOYSA-N -2 0 320.669 1.452 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc2ccccn2n1 ZINC001198746789 747588617 /nfs/dbraw/zinc/58/86/17/747588617.db2.gz MJLWHUFKOWWYPJ-UHFFFAOYSA-N -2 0 317.326 1.833 20 0 DDADRL O=C(NCC[P@](=O)([O-])O)Nc1ccc(Br)cc1 ZINC001202338484 748744619 /nfs/dbraw/zinc/74/46/19/748744619.db2.gz BWFOVGDVNDIXPF-UHFFFAOYSA-N -2 0 323.083 1.748 20 0 DDADRL COc1ccc(NC(=O)NCCOP(=O)([O-])[O-])c(C)c1 ZINC001202730367 749529777 /nfs/dbraw/zinc/52/97/77/749529777.db2.gz GFDAFMWMVBPBRB-UHFFFAOYSA-N -2 0 304.239 1.234 20 0 DDADRL O=P([O-])([O-])OCCNc1ncnc2[nH]c3c(c21)CCCC3 ZINC001168586290 751176977 /nfs/dbraw/zinc/17/69/77/751176977.db2.gz IIEFDMAACWZKIM-UHFFFAOYSA-N -2 0 312.266 1.358 20 0 DDADRL C[C@H]1OCc2c1nc(Cl)nc2NCCOP(=O)([O-])[O-] ZINC001168586378 751177378 /nfs/dbraw/zinc/17/73/78/751177378.db2.gz JJJHDKQFJZNNKS-RXMQYKEDSA-N -2 0 309.646 1.242 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)Cc2ccc(F)cc2)C1 ZINC000827897743 759413281 /nfs/dbraw/zinc/41/32/81/759413281.db2.gz FIADBIMDFZWUMF-ZYHUDNBSSA-N -2 0 309.293 1.145 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc2c1CCC2 ZINC000828470948 759662416 /nfs/dbraw/zinc/66/24/16/759662416.db2.gz XJDDLBHGJMGINX-SMDDNHRTSA-N -2 0 317.341 1.565 20 0 DDADRL Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])cn1 ZINC001148914883 773633170 /nfs/dbraw/zinc/63/31/70/773633170.db2.gz FZKSPCQLRUWDFY-UHFFFAOYSA-N -2 0 322.342 1.903 20 0 DDADRL CCOC(=O)c1c(N)ccn1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236977 778088123 /nfs/dbraw/zinc/08/81/23/778088123.db2.gz RIVGJGIWYNVPAI-UHFFFAOYSA-N -2 0 318.285 1.633 20 0 DDADRL CCOC(=O)c1ncn(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1N ZINC001176237672 778089239 /nfs/dbraw/zinc/08/92/39/778089239.db2.gz ZJPAJSYNPBMLJM-UHFFFAOYSA-N -2 0 319.273 1.028 20 0 DDADRL NC(=O)c1cccnc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176239870 778089654 /nfs/dbraw/zinc/08/96/54/778089654.db2.gz SNISVNKNYVWGJS-UHFFFAOYSA-N -2 0 301.258 1.321 20 0 DDADRL O=P([O-])([O-])OCCNc1cc(-c2ccc(F)cc2)ncn1 ZINC001157795990 864149534 /nfs/dbraw/zinc/14/95/34/864149534.db2.gz PQMITYXDOWYTAC-UHFFFAOYSA-N -2 0 313.225 1.804 20 0 DDADRL CCc1ccccc1-n1cc([O-])c(C(=O)[N-]n2ccccc2=O)n1 ZINC001161080207 866356966 /nfs/dbraw/zinc/35/69/66/866356966.db2.gz DWFMEDCAROYILI-UHFFFAOYSA-N -2 0 324.340 1.686 20 0 DDADRL CC1N=NC(C(=O)Nc2nccc(Br)c2[O-])=C1[O-] ZINC001364303930 888344774 /nfs/dbraw/zinc/34/47/74/888344774.db2.gz BBCVHHAETDYYDL-UHFFFAOYSA-N -2 0 313.111 1.539 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cncc(-n3cncn3)n2)c1 ZINC001242160824 891356217 /nfs/dbraw/zinc/35/62/17/891356217.db2.gz RENNILFEWNXCEM-UHFFFAOYSA-N -2 0 311.257 1.121 20 0 DDADRL CC(=O)Nc1cnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1C ZINC001242160454 891356948 /nfs/dbraw/zinc/35/69/48/891356948.db2.gz KZYNSSVMYRZZKL-UHFFFAOYSA-N -2 0 315.285 1.807 20 0 DDADRL O=C([O-])Cn1cc(-c2cc(C(F)(F)F)c(C(=O)[O-])nn2)cn1 ZINC001242184628 891364783 /nfs/dbraw/zinc/36/47/83/891364783.db2.gz WYGAOHKQLPEMRI-UHFFFAOYSA-N -2 0 316.195 1.142 20 0 DDADRL O=C([O-])c1ccc(-c2cc(C(F)(F)F)c(C(=O)[O-])nn2)cn1 ZINC001242335512 891394922 /nfs/dbraw/zinc/39/49/22/891394922.db2.gz HGCPOEDJPOMZKZ-UHFFFAOYSA-N -2 0 313.191 1.954 20 0 DDADRL O=c1cc(C2CCOCC2)[n-]n1-c1cccc(S(=O)(=O)[O-])c1 ZINC001245944012 892280252 /nfs/dbraw/zinc/28/02/52/892280252.db2.gz ZKOOHZKRINGACW-UHFFFAOYSA-N -2 0 324.358 1.719 20 0 DDADRL O=c1cc(CC(F)(F)F)[n-]n1-c1ccc(S(=O)(=O)[O-])cc1 ZINC001245951449 892284993 /nfs/dbraw/zinc/28/49/93/892284993.db2.gz CXTNMGMTOSYNSB-UHFFFAOYSA-N -2 0 322.264 1.929 20 0 DDADRL CSc1ccccc1[N-]C(=S)NCCOP(=O)([O-])[O-] ZINC001249711918 894109757 /nfs/dbraw/zinc/10/97/57/894109757.db2.gz SKTDUGXEOSZVLZ-UHFFFAOYSA-N -3 0 322.348 1.804 20 0 DDADRL Cc1oc(C[N-]S(=O)(=O)[C@@H](C)C(F)(F)F)cc1C(=O)[O-] ZINC000281744483 539283506 /nfs/dbraw/zinc/28/35/06/539283506.db2.gz DQHYEWATFDXLLO-LURJTMIESA-N -2 0 315.269 1.656 20 0 DDADRL C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)[C@H](C)C(=O)[O-] ZINC000133154325 354107495 /nfs/dbraw/zinc/10/74/95/354107495.db2.gz RVHDCHLFNOJIKW-WDSKDSINSA-N -2 0 311.281 1.491 20 0 DDADRL O=C([O-])CC1(C[N-]S(=O)(=O)c2c(F)cccc2F)CCC1 ZINC000164937110 354247593 /nfs/dbraw/zinc/24/75/93/354247593.db2.gz DIAJZUDPUCRVBL-UHFFFAOYSA-N -2 0 319.329 1.888 20 0 DDADRL O=C([O-])CSCC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000593924852 356064063 /nfs/dbraw/zinc/06/40/63/356064063.db2.gz ZPSPNQJLFABUON-GHMZBOCLSA-N -2 0 309.343 1.234 20 0 DDADRL O=C([O-])Cn1cnc(=NC(=O)c2ccc(C3CCC3)cc2)[n-]1 ZINC000622043775 365208673 /nfs/dbraw/zinc/20/86/73/365208673.db2.gz LHZKBKILGYXBLE-UHFFFAOYSA-N -2 0 300.318 1.304 20 0 DDADRL CC(C)[C@H](CNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)C(=O)[O-] ZINC000626774629 367740019 /nfs/dbraw/zinc/74/00/19/367740019.db2.gz KKLIGTKMMXRSEM-AXFHLTTASA-N -2 0 300.355 1.095 20 0 DDADRL CS(=O)(=O)Nc1ccccc1NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000262198730 203227469 /nfs/dbraw/zinc/22/74/69/203227469.db2.gz SDYVYLGNAXHHPE-DTWKUNHWSA-N -2 0 312.347 1.107 20 0 DDADRL O=C([O-])CC1(NC(=O)c2cc(F)c(F)c([O-])c2F)CCC1 ZINC000094290658 193356329 /nfs/dbraw/zinc/35/63/29/193356329.db2.gz ITIYGKJAUNUWOF-UHFFFAOYSA-N -2 0 303.236 1.937 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)c[nH]1 ZINC000350730306 284250758 /nfs/dbraw/zinc/25/07/58/284250758.db2.gz RTYWBWWKDVZKCW-VIFPVBQESA-N -2 0 323.374 1.782 20 0 DDADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000062946997 184261728 /nfs/dbraw/zinc/26/17/28/184261728.db2.gz FEHJQGWHJLQJDS-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL CC(C)n1cnc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000261614113 407555521 /nfs/dbraw/zinc/55/55/21/407555521.db2.gz ARPJQVFLLBMYDE-ZDUSSCGKSA-N -2 0 323.374 1.568 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(CCCC(=O)[O-])cc1 ZINC000134618085 407917021 /nfs/dbraw/zinc/91/70/21/407917021.db2.gz PZHKFXHRRJYVNG-UHFFFAOYSA-N -2 0 323.374 1.926 20 0 DDADRL CCC[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1nnn[n-]1 ZINC000183068725 408318249 /nfs/dbraw/zinc/31/82/49/408318249.db2.gz GQCLNYPABFOWFR-SSDOTTSWSA-N -2 0 315.255 1.594 20 0 DDADRL COCCCS(=O)(=O)Nc1ccc(C(=O)[O-])cc1SC ZINC000274955110 408574347 /nfs/dbraw/zinc/57/43/47/408574347.db2.gz UAPSBPQTHXYCPQ-UHFFFAOYSA-N -2 0 319.404 1.885 20 0 DDADRL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000360513921 418453815 /nfs/dbraw/zinc/45/38/15/418453815.db2.gz ZXSWRLNGVRRICB-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL O=C([O-])Cn1cc(/C=C\c2nc3c(cccc3C(=O)[O-])o2)nn1 ZINC000439277326 420505334 /nfs/dbraw/zinc/50/53/34/420505334.db2.gz QMZPOEDGHOANPA-PLNGDYQASA-N -2 0 314.257 1.373 20 0 DDADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(O)cc(F)c1 ZINC000448077507 420836636 /nfs/dbraw/zinc/83/66/36/420836636.db2.gz NJJJOWWUKHJWMU-UHFFFAOYSA-N -2 0 315.278 1.932 20 0 DDADRL CC1(CS(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])CCCCC1 ZINC000547916032 421377804 /nfs/dbraw/zinc/37/78/04/421377804.db2.gz CWNQVYYUMOSUAK-JTQLQIEISA-N -2 0 321.395 1.194 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000530148189 421582857 /nfs/dbraw/zinc/58/28/57/421582857.db2.gz BYDBXROIXUDOPS-HRDYMLBCSA-N -2 0 316.404 1.556 20 0 DDADRL O=C([O-])CN(C1CCC1)S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000630446429 422109402 /nfs/dbraw/zinc/10/94/02/422109402.db2.gz SMNGRXCDCSHTKV-UHFFFAOYSA-N -2 0 319.766 1.673 20 0 DDADRL C[C@@H]1CN(C(=O)N=c2ccc(C3CC3)n[n-]2)CC[C@H]1C(=O)[O-] ZINC000630563930 422181938 /nfs/dbraw/zinc/18/19/38/422181938.db2.gz SQLCNPMDXQWAIM-MWLCHTKSSA-N -2 0 304.350 1.350 20 0 DDADRL Cc1csc(S(=O)(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])c1 ZINC000583978829 422228869 /nfs/dbraw/zinc/22/88/69/422228869.db2.gz DOVNUAIVKLSRBO-JOYOIKCWSA-N -2 0 303.405 1.978 20 0 DDADRL COc1cc(C(=O)[O-])ccc1-n1[n-]c2c(c1=O)C(C)(C)OC2 ZINC000634612087 422506254 /nfs/dbraw/zinc/50/62/54/422506254.db2.gz MUUYFERPOXTZIV-LBPRGKRZSA-N -2 0 304.302 1.521 20 0 DDADRL CC(C)C[C@H](NC(=O)c1cccc(OCC(=O)[O-])c1)C(=O)[O-] ZINC000656857932 423808231 /nfs/dbraw/zinc/80/82/31/423808231.db2.gz JITVWXLAUGMZDH-LBPRGKRZSA-N -2 0 309.318 1.379 20 0 DDADRL O=C([O-])c1cnc(NCC2(C(=O)[O-])CCOCC2)c(Cl)c1 ZINC000647457976 424046185 /nfs/dbraw/zinc/04/61/85/424046185.db2.gz LHHFZZFYLYUJQI-UHFFFAOYSA-N -2 0 314.725 1.727 20 0 DDADRL C[C@H](CCC(=O)[O-])NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000262193495 298368770 /nfs/dbraw/zinc/36/87/70/298368770.db2.gz NQUCACVCZIRHMO-SECBINFHSA-N -2 0 314.363 1.041 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cnn1C ZINC000362434340 300061999 /nfs/dbraw/zinc/06/19/99/300061999.db2.gz MCOWMQCOSSGWKV-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL Cc1ncc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cn1 ZINC000362307398 307016369 /nfs/dbraw/zinc/01/63/69/307016369.db2.gz ZOSHOALAHQBYTA-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000399449682 337312595 /nfs/dbraw/zinc/31/25/95/337312595.db2.gz MTEXTQFQPMNZEX-KCJUWKMLSA-N -2 0 321.345 1.988 20 0 DDADRL O=C([O-])COc1cccc(C(=O)N2CCCC[C@H]2CC(=O)[O-])c1 ZINC000663120024 484684210 /nfs/dbraw/zinc/68/42/10/484684210.db2.gz NUEDOIGZUYALOG-LBPRGKRZSA-N -2 0 321.329 1.619 20 0 DDADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000821544458 598160129 /nfs/dbraw/zinc/16/01/29/598160129.db2.gz RRFQDARQEWJNRT-UHFFFAOYSA-N -2 0 319.338 1.645 20 0 DDADRL CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000737049800 599727716 /nfs/dbraw/zinc/72/77/16/599727716.db2.gz DSTIYUGRAQCMNM-NEPJUHHUSA-N -2 0 311.359 1.165 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)c[nH]1 ZINC000738372127 600097870 /nfs/dbraw/zinc/09/78/70/600097870.db2.gz XYOBATHFVHLUGU-UHFFFAOYSA-N -2 0 310.335 1.633 20 0 DDADRL Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738603034 600679102 /nfs/dbraw/zinc/67/91/02/600679102.db2.gz OOLVKSKMUMLPCH-UHFFFAOYSA-N -2 0 311.315 1.579 20 0 DDADRL CCCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cn1 ZINC000722372462 600686487 /nfs/dbraw/zinc/68/64/87/600686487.db2.gz ZBMSXIIYRNGNGV-UHFFFAOYSA-N -2 0 315.376 1.854 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000828863066 601239897 /nfs/dbraw/zinc/23/98/97/601239897.db2.gz UUTYYIKCSFKRNL-NXEZZACHSA-N -2 0 305.396 1.512 20 0 DDADRL Cc1cc(NS(=O)(=O)C[C@@H](C)C(=O)[O-])ccc1C(=O)[O-] ZINC000832898824 601241283 /nfs/dbraw/zinc/24/12/83/601241283.db2.gz USGGWZSZMOKFJP-MRVPVSSYSA-N -2 0 301.320 1.156 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)no1 ZINC000830224587 601362520 /nfs/dbraw/zinc/36/25/20/601362520.db2.gz QLBUUNFPYVBRFG-UHFFFAOYSA-N -2 0 314.294 1.875 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(F)cn1 ZINC000833345749 601768572 /nfs/dbraw/zinc/76/85/72/601768572.db2.gz XFUVJNPGQRFFEH-UHFFFAOYSA-N -2 0 303.296 1.176 20 0 DDADRL O=C([O-])NC[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000740647029 601961346 /nfs/dbraw/zinc/96/13/46/601961346.db2.gz WGQADZVQDDETOQ-QMMMGPOBSA-N -2 0 308.363 1.486 20 0 DDADRL COc1ccsc1S(=O)(=O)[N-]c1csnc1C(=O)[O-] ZINC000832642811 602157672 /nfs/dbraw/zinc/15/76/72/602157672.db2.gz HFTFJSHBISQUPF-UHFFFAOYSA-N -2 0 320.373 1.712 20 0 DDADRL CCCC1(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CC1 ZINC000829231334 602240300 /nfs/dbraw/zinc/24/03/00/602240300.db2.gz WPBBVHFQUIWGQB-UHFFFAOYSA-N -2 0 317.388 1.832 20 0 DDADRL CCc1oc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1C ZINC000830355814 602257844 /nfs/dbraw/zinc/25/78/44/602257844.db2.gz XZSSZTGWGLLVDH-UHFFFAOYSA-N -2 0 303.336 1.075 20 0 DDADRL O=C([O-])[C@H](CC(=O)NC[C@H]1CCCN1C(=O)[O-])c1ccccc1 ZINC000740352434 602594094 /nfs/dbraw/zinc/59/40/94/602594094.db2.gz YXVJJZVEELQGHI-CHWSQXEVSA-N -2 0 320.345 1.504 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000737788482 602997501 /nfs/dbraw/zinc/99/75/01/602997501.db2.gz WLRBFNTWTYWAQW-SECBINFHSA-N -2 0 306.384 1.011 20 0 DDADRL C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000739206052 603125490 /nfs/dbraw/zinc/12/54/90/603125490.db2.gz XOAVSRXYFRDGJP-AEJSXWLSSA-N -2 0 302.327 1.064 20 0 DDADRL C[C@@H]1CN(C(=O)c2c([O-])cc(F)cc2F)CCN1C(=O)[O-] ZINC000826034260 603875911 /nfs/dbraw/zinc/87/59/11/603875911.db2.gz HJGJSTCSXOOLGD-SSDOTTSWSA-N -2 0 300.261 1.495 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)[O-])C(C)C)cc1 ZINC000738653506 604374055 /nfs/dbraw/zinc/37/40/55/604374055.db2.gz WQPSQJMSMVWYEN-NSHDSACASA-N -2 0 314.363 1.092 20 0 DDADRL COCc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)cc1 ZINC000833725821 605052657 /nfs/dbraw/zinc/05/26/57/605052657.db2.gz HRPZHPSDCPKJJL-UHFFFAOYSA-N -2 0 322.342 1.727 20 0 DDADRL O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)[N-]OCC(F)(F)F ZINC000831742776 605137892 /nfs/dbraw/zinc/13/78/92/605137892.db2.gz QNVFFHJXSZGENN-SNVBAGLBSA-N -2 0 318.251 1.701 20 0 DDADRL O=C([O-])N[C@@H](Cc1ccccc1)C(=O)[N-]OCC(F)(F)F ZINC000832148621 605139134 /nfs/dbraw/zinc/13/91/34/605139134.db2.gz SFMYLCREKQLOFU-VIFPVBQESA-N -2 0 306.240 1.475 20 0 DDADRL CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000826893660 605261907 /nfs/dbraw/zinc/26/19/07/605261907.db2.gz XTCJJGVUCSNTLG-UHFFFAOYSA-N -2 0 315.351 1.093 20 0 DDADRL O=C([O-])N1CCOC[C@H]1C(=O)Nc1cccc(Cl)c1[O-] ZINC000834053908 605540209 /nfs/dbraw/zinc/54/02/09/605540209.db2.gz OHVBYZMUJZHCLR-VIFPVBQESA-N -2 0 300.698 1.363 20 0 DDADRL C[C@@H]1CC(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C[C@@H](C)C1 ZINC000833595370 605701445 /nfs/dbraw/zinc/70/14/45/605701445.db2.gz VDGDVGSGFVVBSN-UWVGGRQHSA-N -2 0 305.396 1.370 20 0 DDADRL O=C([O-])c1ccc2c(c1)CCN2C(=O)CN(CC1CC1)C(=O)[O-] ZINC000834283478 606034735 /nfs/dbraw/zinc/03/47/35/606034735.db2.gz POPDMMBFHIFWJR-UHFFFAOYSA-N -2 0 318.329 1.664 20 0 DDADRL CCN(CCC(=O)[O-])C(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000833857619 606046695 /nfs/dbraw/zinc/04/66/95/606046695.db2.gz PBMQJDXOFLSYDN-LBPRGKRZSA-N -2 0 308.334 1.709 20 0 DDADRL O=C([O-])N[C@@H](CC(=O)N[C@@H](C(=O)[O-])C1CC1)Cc1ccccc1 ZINC000834122440 606052447 /nfs/dbraw/zinc/05/24/47/606052447.db2.gz LQRGODJQOAOLJA-TZMCWYRMSA-N -2 0 320.345 1.235 20 0 DDADRL CCC1CCC(NC(=O)C[C@@H](C)NC(=O)[O-])(C(=O)[O-])CC1 ZINC000833843598 606066375 /nfs/dbraw/zinc/06/63/75/606066375.db2.gz DWEPIOQRPPNKRR-NAUIOFCNSA-N -2 0 300.355 1.572 20 0 DDADRL O=C([O-])CC1(CNC(=O)[C@@H]2CCCN2C(=O)[O-])CCCCC1 ZINC000834061117 606113967 /nfs/dbraw/zinc/11/39/67/606113967.db2.gz OQIAHWNFKHRIBV-NSHDSACASA-N -2 0 312.366 1.670 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000263424266 698506544 /nfs/dbraw/zinc/50/65/44/698506544.db2.gz LWORCZSQALOHSA-BDAKNGLRSA-N -2 0 324.299 1.013 20 0 DDADRL Cn1nc([N-]S(=O)(=O)c2ccccc2Cl)cc1C(=O)[O-] ZINC000725223934 699331609 /nfs/dbraw/zinc/33/16/09/699331609.db2.gz IHAAOTDKHJXKTF-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1cccc(Cl)c1[O-] ZINC000736683711 699730549 /nfs/dbraw/zinc/73/05/49/699730549.db2.gz XLEKLSZHHWCELC-UHFFFAOYSA-N -2 0 319.708 1.069 20 0 DDADRL COC(=O)c1ccc(C(=O)OCCCNC(=O)C(F)(F)F)[nH]1 ZINC000796346750 699928474 /nfs/dbraw/zinc/92/84/74/699928474.db2.gz RPCHSAVMRBXECX-UHFFFAOYSA-N -2 0 322.239 1.027 20 0 DDADRL Cc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000768286037 701166720 /nfs/dbraw/zinc/16/67/20/701166720.db2.gz UDTWZICNBNIXNL-UHFFFAOYSA-N -2 0 314.294 1.930 20 0 DDADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(C)CC(=O)[O-])c1Cl ZINC000771510566 701322179 /nfs/dbraw/zinc/32/21/79/701322179.db2.gz KWMRJEYVXIOCJJ-UHFFFAOYSA-N -2 0 321.738 1.052 20 0 DDADRL COc1cc(OC)c([N-]S(=O)(=O)C(F)F)c(C(=O)[O-])c1 ZINC000817419745 702377506 /nfs/dbraw/zinc/37/75/06/702377506.db2.gz GLFYVLYNERNGKV-UHFFFAOYSA-N -2 0 311.262 1.366 20 0 DDADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000863955710 706046235 /nfs/dbraw/zinc/04/62/35/706046235.db2.gz VTQKFGVIJNJBCX-CABZTGNLSA-N -2 0 311.359 1.304 20 0 DDADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)CCC2CCCCC2)CCC1 ZINC000863962998 706047546 /nfs/dbraw/zinc/04/75/46/706047546.db2.gz FUNIMTZMZUYDJB-UHFFFAOYSA-N -2 0 317.407 1.658 20 0 DDADRL O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCc1ccc(O)c(F)c1 ZINC000909050337 712925974 /nfs/dbraw/zinc/92/59/74/712925974.db2.gz YPLBMNHWSGBFAG-WPRPVWTQSA-N -2 0 300.261 1.238 20 0 DDADRL CC1(C)CCCC[C@@H]1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910181948 709800618 /nfs/dbraw/zinc/80/06/18/709800618.db2.gz FWQBOARYRDUPHA-TUAOUCFPSA-N -2 0 311.378 1.979 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)/C=C\c2ccccc2)C1 ZINC000910183364 709800740 /nfs/dbraw/zinc/80/07/40/709800740.db2.gz BBPVUTCGESYPNU-KPRDYVAISA-N -2 0 303.314 1.476 20 0 DDADRL CC[C@@H]1CCCC[C@@H]1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910184014 709801059 /nfs/dbraw/zinc/80/10/59/709801059.db2.gz PBLRMGHJLAXQKA-MROQNXINSA-N -2 0 311.378 1.979 20 0 DDADRL CC(C)n1cccc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910183450 709801197 /nfs/dbraw/zinc/80/11/97/709801197.db2.gz BKLGCKUVRDFNIV-CMPLNLGQSA-N -2 0 308.334 1.459 20 0 DDADRL Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])sc1C ZINC000910185394 709802137 /nfs/dbraw/zinc/80/21/37/709802137.db2.gz JATMNWCNIXTYHE-UWVGGRQHSA-N -2 0 311.359 1.755 20 0 DDADRL Cc1cccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1C ZINC000910186247 709802447 /nfs/dbraw/zinc/80/24/47/709802447.db2.gz PBYCKVKHGGXXLL-AAEUAGOBSA-N -2 0 305.330 1.693 20 0 DDADRL COC(C)(C)CS(=O)(=O)[N-]c1cc(C(C)=O)cc(F)c1[O-] ZINC000901952804 710183391 /nfs/dbraw/zinc/18/33/91/710183391.db2.gz PLVYKZFGSBWSLP-UHFFFAOYSA-N -2 0 319.354 1.901 20 0 DDADRL C[C@@H](C(=O)[O-])C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC000902822548 710916913 /nfs/dbraw/zinc/91/69/13/710916913.db2.gz XMDHKBDWHQZHGO-MNOVXSKESA-N -2 0 305.330 1.777 20 0 DDADRL CN(C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000905991902 712213116 /nfs/dbraw/zinc/21/31/16/712213116.db2.gz UAJMJLWVCJFVCT-RYUDHWBXSA-N -2 0 324.308 1.489 20 0 DDADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCC[C@H](F)C2)c1 ZINC000907026786 712468345 /nfs/dbraw/zinc/46/83/45/712468345.db2.gz OORQJINTEHGBDY-VIFPVBQESA-N -2 0 303.311 1.213 20 0 DDADRL C[C@@H]1C[C@@H](NC(=O)c2ccccc2OP(=O)([O-])[O-])CCO1 ZINC001189898494 745047565 /nfs/dbraw/zinc/04/75/65/745047565.db2.gz DLQYXBMGZUAQSB-ZJUUUORDSA-N -2 0 315.262 1.455 20 0 DDADRL O=C(NCCCC[P@](=O)([O-])O)c1ccc([O-])c(F)c1F ZINC001192843532 745913954 /nfs/dbraw/zinc/91/39/54/745913954.db2.gz XVAPJSKDDQWJKW-UHFFFAOYSA-N -2 0 309.205 1.358 20 0 DDADRL Cc1cc(NCCOP(=O)([O-])[O-])nc(-c2ccccc2)n1 ZINC001168587771 751185667 /nfs/dbraw/zinc/18/56/67/751185667.db2.gz VVBTVLCSRKRNSY-UHFFFAOYSA-N -2 0 309.262 1.973 20 0 DDADRL CC(C)[S@@](=O)c1ccc(NCCOP(=O)([O-])[O-])cc1 ZINC001168591530 751218969 /nfs/dbraw/zinc/21/89/69/751218969.db2.gz APZSODFWAGTZGJ-LJQANCHMSA-N -2 0 307.308 1.724 20 0 DDADRL COc1cncc(CCNc2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001169267673 762319669 /nfs/dbraw/zinc/31/96/69/762319669.db2.gz QLUUUGOQYRIHHW-UHFFFAOYSA-N -2 0 308.274 1.548 20 0 DDADRL Nc1ccc(F)cc1S(=O)(=O)[N-]c1cncc(C(=O)[O-])c1 ZINC001175842556 777923658 /nfs/dbraw/zinc/92/36/58/777923658.db2.gz MUQYTGOJDGKALB-UHFFFAOYSA-N -2 0 311.294 1.302 20 0 DDADRL N=c1cc(Cl)cc(N)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238763 778088818 /nfs/dbraw/zinc/08/88/18/778088818.db2.gz LFYSVPJQRGFELA-UHFFFAOYSA-N -2 0 307.693 1.589 20 0 DDADRL COC(=O)c1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)n(C)n1 ZINC001176239040 778089568 /nfs/dbraw/zinc/08/95/68/778089568.db2.gz NROJWYQICIMQPN-UHFFFAOYSA-N -2 0 319.273 1.347 20 0 DDADRL O=P([O-])([O-])c1ccc(NC[C@H](O)COc2ccccc2)cc1 ZINC001163814676 868728333 /nfs/dbraw/zinc/72/83/33/868728333.db2.gz KUGOGRYBFUIIPG-ZDUSSCGKSA-N -2 0 323.285 1.341 20 0 DDADRL O=C(c1ccc(Cl)c([O-])c1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001362993066 885172357 /nfs/dbraw/zinc/17/23/57/885172357.db2.gz CXDOBAKNOKVUJP-SECBINFHSA-N -2 0 307.741 1.579 20 0 DDADRL O=C([O-])c1cc(F)cc(-c2ccc3c(c2)C(=O)[N-]S3(=O)=O)c1 ZINC001241827997 891279943 /nfs/dbraw/zinc/27/99/43/891279943.db2.gz QHPJLZBPHJHRNW-UHFFFAOYSA-N -2 0 321.285 1.623 20 0 DDADRL O=C([O-])CCC(=O)Nc1ccc(-c2cncc(C(=O)[O-])n2)cc1 ZINC001244028185 891778604 /nfs/dbraw/zinc/77/86/04/891778604.db2.gz AFEGTRRDFLKPGN-UHFFFAOYSA-N -2 0 315.285 1.645 20 0 DDADRL CCc1cnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC001260183219 899077548 /nfs/dbraw/zinc/07/75/48/899077548.db2.gz DHTPIXIXHKAHNU-UHFFFAOYSA-N -2 0 307.331 1.538 20 0 DDADRL Cc1cncnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260210210 899091329 /nfs/dbraw/zinc/09/13/29/899091329.db2.gz DBFWRYPYLFWRCZ-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL Cc1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)nc1C ZINC001260220612 899093602 /nfs/dbraw/zinc/09/36/02/899093602.db2.gz COLQTXPLDGQENW-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn3ccccc23)cc1 ZINC001260222090 899096589 /nfs/dbraw/zinc/09/65/89/899096589.db2.gz KVRHDGXNTTZFGI-UHFFFAOYSA-N -2 0 317.326 1.833 20 0 DDADRL CSC1(CNS(=O)(=O)c2scnc2C(=O)[O-])CCC1 ZINC000235065673 354331747 /nfs/dbraw/zinc/33/17/47/354331747.db2.gz GUEHLVKUPRPPIP-UHFFFAOYSA-N -2 0 322.433 1.405 20 0 DDADRL O=C([O-])c1ccc(C(=O)N=c2[n-]nc(C(F)F)s2)nc1 ZINC000619918133 364202228 /nfs/dbraw/zinc/20/22/28/364202228.db2.gz JVABURMJGRSKOI-UHFFFAOYSA-N -2 0 300.246 1.243 20 0 DDADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(C)cc1C(=O)[O-] ZINC000349110326 283848631 /nfs/dbraw/zinc/84/86/31/283848631.db2.gz SMXIAINNSWULSL-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000339076257 250281621 /nfs/dbraw/zinc/28/16/21/250281621.db2.gz ZLIJIOZBGTXDRQ-UHFFFAOYSA-N -2 0 314.319 1.946 20 0 DDADRL O=C([O-])c1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c(O)c1 ZINC000063155532 184274663 /nfs/dbraw/zinc/27/46/63/184274663.db2.gz WFMBZFAKUWRASC-VIFPVBQESA-N -2 0 301.320 1.011 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c[nH]1 ZINC000037789787 406993117 /nfs/dbraw/zinc/99/31/17/406993117.db2.gz LQSAIOLPZCNPSK-UHFFFAOYSA-N -2 0 306.303 1.390 20 0 DDADRL CCCC[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000184944817 408722488 /nfs/dbraw/zinc/72/24/88/408722488.db2.gz AMBXUFZSLCYQNX-LBPRGKRZSA-N -2 0 317.345 1.951 20 0 DDADRL C[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-])C(=O)[O-] ZINC000263549403 163983930 /nfs/dbraw/zinc/98/39/30/163983930.db2.gz JOVUKBYQZGGUNL-YFKPBYRVSA-N -2 0 313.253 1.162 20 0 DDADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ncc[nH]1 ZINC000647923720 423117901 /nfs/dbraw/zinc/11/79/01/423117901.db2.gz FGHKWXJYXPUUNB-UHFFFAOYSA-N -2 0 315.738 1.871 20 0 DDADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)c1 ZINC000361995673 418736781 /nfs/dbraw/zinc/73/67/81/418736781.db2.gz IQXPILRNKVLKIR-UHFFFAOYSA-N -2 0 324.343 1.518 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cnn1C ZINC000362429552 418753796 /nfs/dbraw/zinc/75/37/96/418753796.db2.gz IYLMIRFEHNBCPV-UHFFFAOYSA-N -2 0 301.349 1.289 20 0 DDADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424402122 228265205 /nfs/dbraw/zinc/26/52/05/228265205.db2.gz FTYFJMJKKGYMFK-ZJUUUORDSA-N -2 0 300.355 1.240 20 0 DDADRL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000650425458 423153534 /nfs/dbraw/zinc/15/35/34/423153534.db2.gz HGDLJLPBGYCSHN-ZETCQYMHSA-N -2 0 305.302 1.496 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=NC[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000424368754 420315774 /nfs/dbraw/zinc/31/57/74/420315774.db2.gz AIIOUVUDBVFHTE-LBPRGKRZSA-N -2 0 303.366 1.551 20 0 DDADRL CS[C@@H]1CCC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000563071744 421450120 /nfs/dbraw/zinc/45/01/20/421450120.db2.gz HNDVAFQYQYQVDJ-VHSXEESVSA-N -2 0 319.404 1.930 20 0 DDADRL C[C@H]1CCCN(C(=O)c2ccc(OCC(=O)[O-])cc2)[C@@H]1C(=O)[O-] ZINC000659765280 424236548 /nfs/dbraw/zinc/23/65/48/424236548.db2.gz VKNOBUBDQJBRGU-HZMBPMFUSA-N -2 0 321.329 1.475 20 0 DDADRL CC(C)[C@H](CNC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC000655896806 424691935 /nfs/dbraw/zinc/69/19/35/424691935.db2.gz OHSIZFLDXFUNQP-GARJFASQSA-N -2 0 300.355 1.095 20 0 DDADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1 ZINC000347289563 272653781 /nfs/dbraw/zinc/65/37/81/272653781.db2.gz VVGSCVIWAHOJQH-UHFFFAOYSA-N -2 0 307.331 1.471 20 0 DDADRL O=C([O-])CCCNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000559216156 303787884 /nfs/dbraw/zinc/78/78/84/303787884.db2.gz XAWLVISEBVBLQK-UHFFFAOYSA-N -2 0 307.281 1.312 20 0 DDADRL CC(C)[C@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)[O-] ZINC000576893348 308347632 /nfs/dbraw/zinc/34/76/32/308347632.db2.gz VKGKPHMIEGOMBJ-LBPRGKRZSA-N -2 0 321.308 1.556 20 0 DDADRL CC(C)c1nc(S(=O)(=O)N[C@](C)(C(=O)[O-])C2CC2)cn1C ZINC000582358245 326018050 /nfs/dbraw/zinc/01/80/50/326018050.db2.gz NMECBGGQBMZOFN-ZDUSSCGKSA-N -2 0 315.395 1.075 20 0 DDADRL O=C([O-])[C@H]1CCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC000584089876 331685927 /nfs/dbraw/zinc/68/59/27/331685927.db2.gz NPCFOGXTKNODRC-VIFPVBQESA-N -2 0 319.292 1.264 20 0 DDADRL O=C(N=c1cc2ccccn2[nH]1)c1c[n-]c2ccccc2c1=O ZINC000583398253 332387547 /nfs/dbraw/zinc/38/75/47/332387547.db2.gz IXYKXJYEHHIAGI-UHFFFAOYSA-N -2 0 304.309 1.850 20 0 DDADRL O=C([O-])CCNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666551546 485269267 /nfs/dbraw/zinc/26/92/67/485269267.db2.gz JXOGXBRNYOOEHQ-UHFFFAOYSA-N -2 0 320.345 1.749 20 0 DDADRL C[C@H](C(=O)[O-])C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000669431063 485444890 /nfs/dbraw/zinc/44/48/90/485444890.db2.gz ZVVKXCGMASYADY-JTQLQIEISA-N -2 0 305.330 1.812 20 0 DDADRL O=C([O-])Cc1ccccc1NC(=O)c1ccc(C(=O)[O-])nc1 ZINC000819623491 597317308 /nfs/dbraw/zinc/31/73/08/597317308.db2.gz CCJOLNRFTCZUHJ-UHFFFAOYSA-N -2 0 300.270 1.659 20 0 DDADRL Cc1nc([N-]S(=O)(=O)c2cncc(F)c2)sc1C(=O)[O-] ZINC000738363583 600055100 /nfs/dbraw/zinc/05/51/00/600055100.db2.gz LYRCFBKNLLYWOP-UHFFFAOYSA-N -2 0 317.323 1.485 20 0 DDADRL CCc1ccccc1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000737274671 600230594 /nfs/dbraw/zinc/23/05/94/600230594.db2.gz PRGBPGCZMHLUHT-UHFFFAOYSA-N -2 0 309.347 1.780 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(N(C)C(=O)[O-])cc1 ZINC000738168104 600233900 /nfs/dbraw/zinc/23/39/00/600233900.db2.gz XBKHIAAFIJPEKQ-UHFFFAOYSA-N -2 0 310.335 1.633 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCc1ccc(F)cc1 ZINC000739692426 600460712 /nfs/dbraw/zinc/46/07/12/600460712.db2.gz PJFMZGGJBFTODF-UHFFFAOYSA-N -2 0 317.338 1.069 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n(C)n1 ZINC000104089778 600973972 /nfs/dbraw/zinc/97/39/72/600973972.db2.gz SOHQRAYTUCLNKI-UHFFFAOYSA-N -2 0 301.349 1.289 20 0 DDADRL CC(C)CC1(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CCCC1 ZINC000826826305 601598944 /nfs/dbraw/zinc/59/89/44/601598944.db2.gz GRJXRARRUDCOTC-UHFFFAOYSA-N -2 0 319.423 1.904 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c1 ZINC000388432334 601782032 /nfs/dbraw/zinc/78/20/32/601782032.db2.gz CQNVEKJOXLCRPU-UHFFFAOYSA-N -2 0 323.374 1.721 20 0 DDADRL O=C([O-])c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cn1 ZINC000833124405 601821793 /nfs/dbraw/zinc/82/17/93/601821793.db2.gz GJQSATBNLAZLEL-GFCCVEGCSA-N -2 0 318.260 1.475 20 0 DDADRL O=C([O-])N1[C@H](C(=O)[N-]O[C@@H]2CCCCO2)C[C@H]2CCCC[C@@H]21 ZINC000740458291 601947779 /nfs/dbraw/zinc/94/77/79/601947779.db2.gz UUGRHIXTHBOIME-MROQNXINSA-N -2 0 312.366 1.872 20 0 DDADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(F)nc1 ZINC000236458112 602157287 /nfs/dbraw/zinc/15/72/87/602157287.db2.gz GWTFCVMJQLMVOH-UHFFFAOYSA-N -2 0 302.308 1.781 20 0 DDADRL CCN(CCC(=O)[O-])C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000829701765 602299205 /nfs/dbraw/zinc/29/92/05/602299205.db2.gz OGNKFSJAHRKMOU-UHFFFAOYSA-N -2 0 321.308 1.654 20 0 DDADRL C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000739162482 602593210 /nfs/dbraw/zinc/59/32/10/602593210.db2.gz VTFVQUKDFDGJEW-VIFPVBQESA-N -2 0 316.317 1.160 20 0 DDADRL CCC[C@@H](NC(=O)c1cccc(NC(=O)[O-])c1)c1nnn[n-]1 ZINC000826764957 603565168 /nfs/dbraw/zinc/56/51/68/603565168.db2.gz NBOUSYRTWCVHNI-SNVBAGLBSA-N -2 0 304.310 1.561 20 0 DDADRL CN(C(=O)[O-])[C@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000827889766 603844802 /nfs/dbraw/zinc/84/48/02/603844802.db2.gz LFHJWTBUTCRRDD-QMMMGPOBSA-N -2 0 308.363 1.581 20 0 DDADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000833678549 604505438 /nfs/dbraw/zinc/50/54/38/604505438.db2.gz HFVKVPZVAORBKG-UHFFFAOYSA-N -2 0 314.319 1.946 20 0 DDADRL O=C([O-])c1csc(NC(=O)C(=O)[N-]OCc2ccccc2)c1 ZINC000833148366 604519975 /nfs/dbraw/zinc/51/99/75/604519975.db2.gz HYHCXJNQNGGRMX-UHFFFAOYSA-N -2 0 320.326 1.633 20 0 DDADRL O=C([O-])NC[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)C1CC1 ZINC000834206652 605857563 /nfs/dbraw/zinc/85/75/63/605857563.db2.gz MEAPDQQDZFPEMF-JTQLQIEISA-N -2 0 300.261 1.446 20 0 DDADRL O=C([O-])N[C@H](CNC(=O)c1cc(F)cc(Cl)c1[O-])C1CC1 ZINC000834146897 605996451 /nfs/dbraw/zinc/99/64/51/605996451.db2.gz KJIQQCQONDTOMK-SNVBAGLBSA-N -2 0 316.716 1.961 20 0 DDADRL O=C([O-])CCN(Cc1ccccc1)C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000834059125 606029423 /nfs/dbraw/zinc/02/94/23/606029423.db2.gz GNMMQRVUKUTETJ-CYBMUJFWSA-N -2 0 320.345 1.490 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)CC2CCC2)C1 ZINC000834168962 606030324 /nfs/dbraw/zinc/03/03/24/606030324.db2.gz JYQNFCMNGGUKLZ-GHMZBOCLSA-N -2 0 318.395 1.059 20 0 DDADRL O=C([O-])N[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000834150075 606030215 /nfs/dbraw/zinc/03/02/15/606030215.db2.gz KYBQIIYFPVUYSH-ZDUSSCGKSA-N -2 0 320.345 1.189 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000834162336 606030342 /nfs/dbraw/zinc/03/03/42/606030342.db2.gz CYXUMKFXTSHMRO-YNEHKIRRSA-N -2 0 320.345 1.235 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000834173027 606034890 /nfs/dbraw/zinc/03/48/90/606034890.db2.gz OOXVKGUEDUOWRO-GARJFASQSA-N -2 0 310.350 1.136 20 0 DDADRL O=C([O-])N[C@@H](CC(=O)N[C@@H](C(=O)[O-])C1CC1)c1ccccc1 ZINC000834123033 606052756 /nfs/dbraw/zinc/05/27/56/606052756.db2.gz PJAMFSFXQWMRNZ-WCQYABFASA-N -2 0 306.318 1.365 20 0 DDADRL O=C([O-])NC[C@@H](C(=O)NCC1(C(=O)[O-])CCC1)c1ccccc1 ZINC000834210275 606063684 /nfs/dbraw/zinc/06/36/84/606063684.db2.gz OERRCZAZLMRKID-GFCCVEGCSA-N -2 0 320.345 1.409 20 0 DDADRL O=C([O-])[C@H](CNC(=O)[C@H]1CCCCN1C(=O)[O-])c1ccccc1 ZINC000834057244 606065211 /nfs/dbraw/zinc/06/52/11/606065211.db2.gz CFPKOTCYGVBDIA-CHWSQXEVSA-N -2 0 320.345 1.504 20 0 DDADRL CCC1CCC(NC(=O)C[C@H](C)NC(=O)[O-])(C(=O)[O-])CC1 ZINC000833843596 606066049 /nfs/dbraw/zinc/06/60/49/606066049.db2.gz DWEPIOQRPPNKRR-IPWFMCSPSA-N -2 0 300.355 1.572 20 0 DDADRL O=C([O-])NCCCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000834229920 606066760 /nfs/dbraw/zinc/06/67/60/606066760.db2.gz PSDHFNFEIWNURZ-NSHDSACASA-N -2 0 314.725 1.630 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000834169858 606066921 /nfs/dbraw/zinc/06/69/21/606066921.db2.gz MAVPEXKMGLSZMP-VXNVDRBHSA-N -2 0 310.281 1.899 20 0 DDADRL Cc1ccc(/C=C/S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)cc1 ZINC000776428280 698106201 /nfs/dbraw/zinc/10/62/01/698106201.db2.gz WWNKNSXZQVEGMH-BQYQJAHWSA-N -2 0 321.358 1.839 20 0 DDADRL O=C([O-])C1=CC[C@H]([N-]S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000853070138 704191932 /nfs/dbraw/zinc/19/19/32/704191932.db2.gz VJNODOUSZSLZIP-QMMMGPOBSA-N -2 0 321.276 1.556 20 0 DDADRL O=C(Cn1c(=O)c2ccccc2[n-]c1=S)[N-]OCC1CCC1 ZINC000856346299 704523739 /nfs/dbraw/zinc/52/37/39/704523739.db2.gz UUCCHFQZGDWWMO-UHFFFAOYSA-N -2 0 319.386 1.533 20 0 DDADRL Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC000863953428 706045356 /nfs/dbraw/zinc/04/53/56/706045356.db2.gz UWLFFMOPACTUSM-NSHDSACASA-N -2 0 313.375 1.547 20 0 DDADRL O=C([O-])CC1(C(=O)[N-]S(=O)(=O)c2ccccc2F)CCC1 ZINC000863953803 706045396 /nfs/dbraw/zinc/04/53/96/706045396.db2.gz ZGHMNTIOVBFVIK-UHFFFAOYSA-N -2 0 315.322 1.276 20 0 DDADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCC1 ZINC000863955440 706045831 /nfs/dbraw/zinc/04/58/31/706045831.db2.gz LWKIDKZBKYVMSJ-JTQLQIEISA-N -2 0 311.359 1.449 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)c(C)o1 ZINC000863958368 706046608 /nfs/dbraw/zinc/04/66/08/706046608.db2.gz VZPRCTGSNAWCMC-SNVBAGLBSA-N -2 0 303.336 1.058 20 0 DDADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)CCC(F)(F)F ZINC000863960979 706046865 /nfs/dbraw/zinc/04/68/65/706046865.db2.gz GTZDLNQUIOVGBB-LURJTMIESA-N -2 0 319.301 1.132 20 0 DDADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)cn1 ZINC000863964191 706047724 /nfs/dbraw/zinc/04/77/24/706047724.db2.gz ORXXAVFVAOXUEY-PTRXPTGYSA-N -2 0 324.358 1.028 20 0 DDADRL Cc1cc(C)c(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)s1 ZINC000863964631 706047853 /nfs/dbraw/zinc/04/78/53/706047853.db2.gz YGSSZAMIQKURKF-VIFPVBQESA-N -2 0 317.388 1.281 20 0 DDADRL O=C([O-])c1cccc(-n2[n-]c3c(c2=O)CC2(CC3)OCCO2)c1 ZINC000887287026 709007952 /nfs/dbraw/zinc/00/79/52/709007952.db2.gz JIUVAVAUDFQPJL-LBPRGKRZSA-N -2 0 316.313 1.631 20 0 DDADRL Cc1c(F)cccc1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910181548 709800640 /nfs/dbraw/zinc/80/06/40/709800640.db2.gz CHZGJAFSMNBVCR-BXKDBHETSA-N -2 0 309.293 1.524 20 0 DDADRL Cc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc(C)c1F ZINC000910183046 709801058 /nfs/dbraw/zinc/80/10/58/709801058.db2.gz KOWFFGWUNKZVIY-ZYHUDNBSSA-N -2 0 323.320 1.833 20 0 DDADRL Cc1cc(C)cc(CC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910184599 709801325 /nfs/dbraw/zinc/80/13/25/709801325.db2.gz UPDSPQOMDBOTKC-KGLIPLIRSA-N -2 0 319.357 1.622 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2ccccc2F)C1 ZINC000910186464 709802499 /nfs/dbraw/zinc/80/24/99/709802499.db2.gz RRZKYOBNPZTLDK-PWSUYJOCSA-N -2 0 309.293 1.145 20 0 DDADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000901654279 710109615 /nfs/dbraw/zinc/10/96/15/710109615.db2.gz ISESWKQVHSSUKZ-CMPLNLGQSA-N -2 0 305.330 1.497 20 0 DDADRL C[C@@H]1CCCN(C(=O)Cc2ccccc2C(=O)[O-])[C@@H]1C(=O)[O-] ZINC000901693348 710120347 /nfs/dbraw/zinc/12/03/47/710120347.db2.gz BXTRJKCKBQTQSC-YGRLFVJLSA-N -2 0 305.330 1.639 20 0 DDADRL C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C[C@H]1F ZINC000906921029 712439384 /nfs/dbraw/zinc/43/93/84/712439384.db2.gz UBTFBOHAXOSOKD-PSASIEDQSA-N -2 0 317.338 1.459 20 0 DDADRL CSc1ccccc1NC(=O)NCCOP(=O)([O-])[O-] ZINC001186762741 744443952 /nfs/dbraw/zinc/44/39/52/744443952.db2.gz WQBCZQZYRFFNLH-UHFFFAOYSA-N -2 0 306.280 1.639 20 0 DDADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CCC2(COC2)C1 ZINC001189871327 745008452 /nfs/dbraw/zinc/00/84/52/745008452.db2.gz MMEYPHKMMYNXQT-UHFFFAOYSA-N -2 0 313.246 1.021 20 0 DDADRL Cc1[nH+]cn(C)c1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192113931 745692804 /nfs/dbraw/zinc/69/28/04/745692804.db2.gz PWUZPXXLLXOKRI-UHFFFAOYSA-N -2 0 323.374 1.547 20 0 DDADRL Cc1ccc(NC(=S)NCCOP(=O)([O-])[O-])c(C)c1 ZINC001198008248 747333833 /nfs/dbraw/zinc/33/38/33/747333833.db2.gz LRBFGGBVOYIHFZ-UHFFFAOYSA-N -2 0 304.308 1.699 20 0 DDADRL Cc1nc(NCCOP(=O)([O-])[O-])nc(C)c1CC(C)C ZINC001168590212 751208055 /nfs/dbraw/zinc/20/80/55/751208055.db2.gz WACNLBZMFIJRNX-UHFFFAOYSA-N -2 0 303.299 1.813 20 0 DDADRL COc1ncc(NCCOP(=O)([O-])[O-])cc1C(F)(F)F ZINC001168590899 751213836 /nfs/dbraw/zinc/21/38/36/751213836.db2.gz ASMZSOKEKMJSKY-UHFFFAOYSA-N -2 0 316.172 1.630 20 0 DDADRL O=P([O-])([O-])OCCNc1nnc(Cl)c2ccc(F)cc21 ZINC001157795825 766683676 /nfs/dbraw/zinc/68/36/76/766683676.db2.gz MUPASGKXXMGRFZ-UHFFFAOYSA-N -2 0 321.632 1.944 20 0 DDADRL CN(C)c1nc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc(=O)[nH]1 ZINC001176236795 778087790 /nfs/dbraw/zinc/08/77/90/778087790.db2.gz ALVBYDXURIVITB-UHFFFAOYSA-N -2 0 318.289 1.388 20 0 DDADRL Cc1c2cc(C)ccc2oc1C(=O)NCCOP(=O)([O-])[O-] ZINC001150785441 862467604 /nfs/dbraw/zinc/46/76/04/862467604.db2.gz UBZXXMQDMZCZHV-UHFFFAOYSA-N -2 0 313.246 1.889 20 0 DDADRL Cc1cc(Cl)ncc1C(F)(F)NCCOP(=O)([O-])[O-] ZINC001157791753 864145428 /nfs/dbraw/zinc/14/54/28/864145428.db2.gz TWNMKLPLERYZNN-UHFFFAOYSA-N -2 0 316.628 1.792 20 0 DDADRL C[C@@H](Cc1ccccc1)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c12 ZINC001226888025 882705633 /nfs/dbraw/zinc/70/56/33/882705633.db2.gz MKOYUGQPJOQGAA-QMMMGPOBSA-N -2 0 314.301 1.547 20 0 DDADRL Cc1cc(C)c(COC(=O)[C@H](O)COP(=O)([O-])[O-])c(C)c1 ZINC001222901940 880741199 /nfs/dbraw/zinc/74/11/99/880741199.db2.gz WVAHHHHZANLUCF-GFCCVEGCSA-N -2 0 318.262 1.125 20 0 DDADRL Cc1cc(C(C)C)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001230210307 884378521 /nfs/dbraw/zinc/37/85/21/884378521.db2.gz GICRDAUEAXRDDC-SMDDNHRTSA-N -2 0 324.329 1.560 20 0 DDADRL O=C([O-])C[C@@H](C(=O)Oc1ccc2ccsc2c1)[C@@H](O)C(=O)[O-] ZINC001233603763 887144478 /nfs/dbraw/zinc/14/44/78/887144478.db2.gz LYEDTRVHYKXTPL-BXKDBHETSA-N -2 0 324.310 1.343 20 0 DDADRL CCOC(=O)[C@@H](Oc1ccc(OP(=O)([O-])[O-])cc1)C1CC1 ZINC001234335060 887876460 /nfs/dbraw/zinc/87/64/60/887876460.db2.gz KAESIARNQBJMSY-LBPRGKRZSA-N -2 0 316.246 1.879 20 0 DDADRL Cn1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c2cc[nH]c2c1=O ZINC001242162304 891356436 /nfs/dbraw/zinc/35/64/36/891356436.db2.gz FDFWPRUKSYRFSO-UHFFFAOYSA-N -2 0 312.281 1.930 20 0 DDADRL COC(=O)c1ccc(OC)c(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001244052844 891785551 /nfs/dbraw/zinc/78/55/51/891785551.db2.gz SDJBRQKAOJXNNR-UHFFFAOYSA-N -2 0 322.253 1.952 20 0 DDADRL O=C([O-])c1cc(-c2ccc3c(c2)S(=O)(=O)[N-]C3=O)cnc1F ZINC001244756493 891908758 /nfs/dbraw/zinc/90/87/58/891908758.db2.gz JRHPMPOREISCJG-UHFFFAOYSA-N -2 0 322.273 1.018 20 0 DDADRL O=c1[nH]cnc([O-])c1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC001260348649 899122345 /nfs/dbraw/zinc/12/23/45/899122345.db2.gz CUMUCYLGHLVCLR-UHFFFAOYSA-N -2 0 321.236 1.106 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])o1 ZINC000274921926 539279295 /nfs/dbraw/zinc/27/92/95/539279295.db2.gz AZHIUYXPJFWOOU-YFKPBYRVSA-N -2 0 301.242 1.348 20 0 DDADRL COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c1 ZINC000317942770 539296274 /nfs/dbraw/zinc/29/62/74/539296274.db2.gz XMPBRECARKJPEW-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(CC)cc2)c[nH]1 ZINC000618907144 363792306 /nfs/dbraw/zinc/79/23/06/363792306.db2.gz UQQXWVDFNSMNCL-UHFFFAOYSA-N -2 0 323.374 1.950 20 0 DDADRL C[C@@H]1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000626768738 367736315 /nfs/dbraw/zinc/73/63/15/367736315.db2.gz OYDKRKLBVWVFFX-ZJUUUORDSA-N -2 0 300.355 1.240 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cn1 ZINC000349999800 284130281 /nfs/dbraw/zinc/13/02/81/284130281.db2.gz FVQTXZDHUOMOMM-UHFFFAOYSA-N -2 0 324.314 1.295 20 0 DDADRL CO[C@@H](CS(=O)(=O)[N-]c1ccc(F)c(F)c1[O-])C1CC1 ZINC000567870038 304249458 /nfs/dbraw/zinc/24/94/58/304249458.db2.gz QQSSESOCYDEQMD-JTQLQIEISA-N -2 0 307.318 1.837 20 0 DDADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C(C)(C)C(=O)[O-] ZINC000568627568 304302791 /nfs/dbraw/zinc/30/27/91/304302791.db2.gz DJTUHWTWLVVSJZ-UHFFFAOYSA-N -2 0 309.347 1.466 20 0 DDADRL Cn1nccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000134279668 162073691 /nfs/dbraw/zinc/07/36/91/162073691.db2.gz QGAHVLLLUVJGCC-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccoc1 ZINC000349035833 409660696 /nfs/dbraw/zinc/66/06/96/409660696.db2.gz KNAFEFWSYPLORE-UHFFFAOYSA-N -2 0 315.278 1.926 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000360510102 418454028 /nfs/dbraw/zinc/45/40/28/418454028.db2.gz FVNJWVMIPXJDNI-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000643436718 423159069 /nfs/dbraw/zinc/15/90/69/423159069.db2.gz ZCXPYHBBQLKBFL-GWCFXTLKSA-N -2 0 320.345 1.637 20 0 DDADRL C[C@H](CC(=O)[O-])NC(=O)c1cc(C(=O)[O-])n(-c2ccccc2)n1 ZINC000436053470 420304282 /nfs/dbraw/zinc/30/42/82/420304282.db2.gz ODDGITCFHUMTAW-SECBINFHSA-N -2 0 317.301 1.164 20 0 DDADRL O=C([O-])Cn1cc(/C=C/c2nc3cc(C(=O)[O-])ccc3o2)nn1 ZINC000439280655 420504466 /nfs/dbraw/zinc/50/44/66/420504466.db2.gz WZWZOAQTNAJMPI-DUXPYHPUSA-N -2 0 314.257 1.373 20 0 DDADRL Cc1cccc(F)c1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000547822020 421371086 /nfs/dbraw/zinc/37/10/86/421371086.db2.gz OGUBDVDKLWOFHE-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL CCN(CC)S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000547868983 421376510 /nfs/dbraw/zinc/37/65/10/421376510.db2.gz DGHXUJHGWAPSEN-UHFFFAOYSA-N -2 0 316.335 1.082 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1CCCC[C@@]1(C)C(=O)[O-] ZINC000547886997 421377193 /nfs/dbraw/zinc/37/71/93/421377193.db2.gz LOOJDJZWRLHQKK-KHQFGBGNSA-N -2 0 317.329 1.890 20 0 DDADRL Cc1csc(S(=O)(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])c1 ZINC000583978827 422229355 /nfs/dbraw/zinc/22/93/55/422229355.db2.gz DOVNUAIVKLSRBO-BXKDBHETSA-N -2 0 303.405 1.978 20 0 DDADRL O=C([O-])CC[C@H]1CCCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1 ZINC000653280661 423416378 /nfs/dbraw/zinc/41/63/78/423416378.db2.gz DJYYNSQOLTYRKC-MLGOLLRUSA-N -2 0 309.362 1.901 20 0 DDADRL CC(C)C[C@@H](CNC(=O)c1ccc(OCC(=O)[O-])cc1)C(=O)[O-] ZINC000659763787 424231539 /nfs/dbraw/zinc/23/15/39/424231539.db2.gz ISEZYTADZANGPC-LBPRGKRZSA-N -2 0 323.345 1.627 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c[nH]1 ZINC000342335261 271381297 /nfs/dbraw/zinc/38/12/97/271381297.db2.gz QCCRYILHNKWWBP-UHFFFAOYSA-N -2 0 316.722 1.873 20 0 DDADRL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000530473262 303198430 /nfs/dbraw/zinc/19/84/30/303198430.db2.gz DAGHOQCRPHXBPN-NSHDSACASA-N -2 0 319.329 1.887 20 0 DDADRL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ncccc1[O-] ZINC000550097992 303622422 /nfs/dbraw/zinc/62/24/22/303622422.db2.gz TZYAQDJADNUVLY-UHFFFAOYSA-N -2 0 311.301 1.839 20 0 DDADRL C[C@@H]1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)C[C@H]1C(=O)[O-] ZINC000577610477 308401727 /nfs/dbraw/zinc/40/17/27/308401727.db2.gz JAIKLXKADVWPDV-HTRCEHHLSA-N -2 0 317.263 1.992 20 0 DDADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-] ZINC000020558654 337331688 /nfs/dbraw/zinc/33/16/88/337331688.db2.gz GFDFHIDNZLCRSD-UHFFFAOYSA-N -2 0 309.347 1.834 20 0 DDADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C1CC(C(=O)[O-])C1 ZINC000682700896 485747782 /nfs/dbraw/zinc/74/77/82/485747782.db2.gz WGTPQSTUESYMBJ-UHFFFAOYSA-N -2 0 321.358 1.466 20 0 DDADRL Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738568570 599739126 /nfs/dbraw/zinc/73/91/26/599739126.db2.gz LEADBDNWDBNGDC-UHFFFAOYSA-N -2 0 324.314 1.186 20 0 DDADRL CSCCCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000738192382 600352648 /nfs/dbraw/zinc/35/26/48/600352648.db2.gz YGWLZCSZHXDHPL-UHFFFAOYSA-N -2 0 323.417 1.394 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(Cl)s1 ZINC000739693213 600461675 /nfs/dbraw/zinc/46/16/75/600461675.db2.gz WYMDULPDSOTAEO-UHFFFAOYSA-N -2 0 311.768 1.326 20 0 DDADRL CCCCS[C@H](C)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000737001678 600462110 /nfs/dbraw/zinc/46/21/10/600462110.db2.gz XTPKFSTZJXNYTM-SECBINFHSA-N -2 0 311.425 1.219 20 0 DDADRL Cc1[nH]c(C(=O)NC2(c3nnn[n-]3)CCCC2)c(C)c1C(=O)[O-] ZINC000738154079 600538863 /nfs/dbraw/zinc/53/88/63/600538863.db2.gz GUTIQBFYDRSRJD-UHFFFAOYSA-N -2 0 318.337 1.042 20 0 DDADRL Cn1cnc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000166565313 600637309 /nfs/dbraw/zinc/63/73/09/600637309.db2.gz TXVMKPYAAXZSDY-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL CCCn1cc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cn1 ZINC000722372251 600686050 /nfs/dbraw/zinc/68/60/50/600686050.db2.gz NPLGILVCUKYFGT-UHFFFAOYSA-N -2 0 315.376 1.854 20 0 DDADRL Cc1ccc(-n2[n-]c(C(=O)N(C)C[C@H](C)C(=O)[O-])cc2=O)cc1 ZINC000832910275 600949669 /nfs/dbraw/zinc/94/96/69/600949669.db2.gz WPBUAUXTGMLECL-NSHDSACASA-N -2 0 317.345 1.267 20 0 DDADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000315785841 600982027 /nfs/dbraw/zinc/98/20/27/600982027.db2.gz MZUQEEWIPBSQHQ-UHFFFAOYSA-N -2 0 323.286 1.489 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC000032630683 601827461 /nfs/dbraw/zinc/82/74/61/601827461.db2.gz SMETXZXBMDGXPM-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL CCCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n[nH]1 ZINC000131813213 601844689 /nfs/dbraw/zinc/84/46/89/601844689.db2.gz QPIYUSLFSJPNGD-UHFFFAOYSA-N -2 0 309.347 1.861 20 0 DDADRL CCC[C@H](NC(=O)[O-])C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000739321128 601959011 /nfs/dbraw/zinc/95/90/11/601959011.db2.gz UKTJHEOFMUZKSW-JTQLQIEISA-N -2 0 320.305 1.405 20 0 DDADRL O=C([O-])c1cc(Cl)cc(NC(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000392331528 602364845 /nfs/dbraw/zinc/36/48/45/602364845.db2.gz WXNXDTSLVKXHFE-UHFFFAOYSA-N -2 0 311.685 1.184 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000736900389 602997573 /nfs/dbraw/zinc/99/75/73/602997573.db2.gz QIZNCHLUZXSVKI-JTQLQIEISA-N -2 0 308.400 1.303 20 0 DDADRL O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)c1c([O-])cc(F)cc1F ZINC000832482478 603910008 /nfs/dbraw/zinc/91/00/08/603910008.db2.gz OBLBXZGGSLVGJR-GMSGAONNSA-N -2 0 314.288 1.837 20 0 DDADRL O=C([O-])c1csc(NC(=O)c2n[n-]c3ccccc3c2=O)c1 ZINC000191354227 604315106 /nfs/dbraw/zinc/31/51/06/604315106.db2.gz IUFYRHUWZNJLQY-UHFFFAOYSA-N -2 0 315.310 1.935 20 0 DDADRL CC1(C)CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000833561632 605117242 /nfs/dbraw/zinc/11/72/42/605117242.db2.gz UBTYIAGIFRYTNT-LLVKDONJSA-N -2 0 319.423 1.904 20 0 DDADRL C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000825881501 605274564 /nfs/dbraw/zinc/27/45/64/605274564.db2.gz WTXYAJXCYGOEOS-MXWKQRLJSA-N -2 0 318.395 1.011 20 0 DDADRL CCC1(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)CCCC1 ZINC000826639559 605284163 /nfs/dbraw/zinc/28/41/63/605284163.db2.gz NZIWQUHEBSRGPB-JTQLQIEISA-N -2 0 318.395 1.155 20 0 DDADRL O=C([O-])CCS(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000020557286 605365843 /nfs/dbraw/zinc/36/58/43/605365843.db2.gz ILNBURFZAVLXMP-UHFFFAOYSA-N -2 0 313.253 1.802 20 0 DDADRL O=C([O-])N1CCOC[C@@H]1C(=O)Nc1cccc(Cl)c1[O-] ZINC000834053905 605539826 /nfs/dbraw/zinc/53/98/26/605539826.db2.gz OHVBYZMUJZHCLR-SECBINFHSA-N -2 0 300.698 1.363 20 0 DDADRL O=C([O-])C[C@H]1CCCCN1C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000834061229 605688626 /nfs/dbraw/zinc/68/86/26/605688626.db2.gz QXABSNZUWQWCGK-SECBINFHSA-N -2 0 310.306 1.517 20 0 DDADRL O=C([O-])N[C@@H](CC(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000834120060 606030387 /nfs/dbraw/zinc/03/03/87/606030387.db2.gz FVZOQIAWYLXKQC-ZDUSSCGKSA-N -2 0 320.345 1.709 20 0 DDADRL O=C([O-])N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000834150079 606031364 /nfs/dbraw/zinc/03/13/64/606031364.db2.gz LADYGJGFOUHNCA-OLZOCXBDSA-N -2 0 320.345 1.189 20 0 DDADRL CN(C(=O)C[C@@H]1CCCN1C(=O)[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC000833868548 606050976 /nfs/dbraw/zinc/05/09/76/606050976.db2.gz CRRPQYYLZQUBEU-JSGCOSHPSA-N -2 0 320.345 1.803 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000834168006 606056707 /nfs/dbraw/zinc/05/67/07/606056707.db2.gz DYZNRDDQVHDNPS-HTQZYQBOSA-N -2 0 310.281 1.899 20 0 DDADRL O=C([O-])c1cc(NC(=O)[C@H]2CCN(C(=O)[O-])C2)ccc1Cl ZINC000834283422 606056731 /nfs/dbraw/zinc/05/67/31/606056731.db2.gz OLOJGGLNSCMSQC-ZETCQYMHSA-N -2 0 312.709 1.977 20 0 DDADRL O=C([O-])[C@H](CNC(=O)C1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000834020336 606064938 /nfs/dbraw/zinc/06/49/38/606064938.db2.gz SMOKXCMMGIFAPX-CYBMUJFWSA-N -2 0 320.345 1.361 20 0 DDADRL O=C([O-])[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)[O-])c1ccccc1 ZINC000834057528 606065190 /nfs/dbraw/zinc/06/51/90/606065190.db2.gz GAYWRTLMKZTZDO-RYUDHWBXSA-N -2 0 306.318 1.113 20 0 DDADRL O=C([N-]C1CCC([N-]C(=O)C(F)(F)F)CC1)C(F)(F)F ZINC000000369327 696005364 /nfs/dbraw/zinc/00/53/64/696005364.db2.gz QIGINHRJJGBUPX-UHFFFAOYSA-N -2 0 306.206 1.655 20 0 DDADRL CC[C@H](CNS(=O)(=O)c1cccnc1Cl)CC(=O)[O-] ZINC000147364041 696873832 /nfs/dbraw/zinc/87/38/32/696873832.db2.gz LSCCTVGCPFOEKE-QMMMGPOBSA-N -2 0 306.771 1.514 20 0 DDADRL CC(C)C[C@@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000185339100 697516657 /nfs/dbraw/zinc/51/66/57/697516657.db2.gz GTCSRIDLPMHIGC-GFCCVEGCSA-N -2 0 317.345 1.807 20 0 DDADRL CC(F)(F)C(=O)[N-][C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000816127989 702020422 /nfs/dbraw/zinc/02/04/22/702020422.db2.gz QPYYVQLQDRQWBF-MRVPVSSYSA-N -2 0 319.674 1.853 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2)C1 ZINC000863953496 706045373 /nfs/dbraw/zinc/04/53/73/706045373.db2.gz QPBRIDOUKQVZDG-NWDGAFQWSA-N -2 0 311.359 1.134 20 0 DDADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000863953284 706045471 /nfs/dbraw/zinc/04/54/71/706045471.db2.gz RIFJATVKYGLLQO-ZHACJKMWSA-N -2 0 311.359 1.748 20 0 DDADRL CC(C)Cc1ccc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])cc1 ZINC000863959131 706046606 /nfs/dbraw/zinc/04/66/06/706046606.db2.gz UTGGPAVNUZLDFK-UHFFFAOYSA-N -2 0 313.375 1.555 20 0 DDADRL O=C([O-])CCC(=O)[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000863963484 706047283 /nfs/dbraw/zinc/04/72/83/706047283.db2.gz YBNWPDLMQWWVCI-UHFFFAOYSA-N -2 0 323.729 1.290 20 0 DDADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)nc1 ZINC000863963861 706047287 /nfs/dbraw/zinc/04/72/87/706047287.db2.gz JDFCQNWNQNOLHG-PTRXPTGYSA-N -2 0 324.358 1.028 20 0 DDADRL C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])C(F)(F)F ZINC000910182933 709801049 /nfs/dbraw/zinc/80/10/49/709801049.db2.gz JYJQKXYUFXKKIE-GJMOJQLCSA-N -2 0 311.256 1.351 20 0 DDADRL Cc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])sc1C ZINC000910185396 709802062 /nfs/dbraw/zinc/80/20/62/709802062.db2.gz JATMNWCNIXTYHE-ZJUUUORDSA-N -2 0 311.359 1.755 20 0 DDADRL Cc1ccc(CCC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC000910187790 709803024 /nfs/dbraw/zinc/80/30/24/709803024.db2.gz GYJLFBDWXYFJGR-KGLIPLIRSA-N -2 0 319.357 1.704 20 0 DDADRL CCCCS[C@H](C)C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910189849 709804751 /nfs/dbraw/zinc/80/47/51/709804751.db2.gz VJPJEKHUHSBREN-OUAUKWLOSA-N -2 0 317.407 1.685 20 0 DDADRL CN(CC(C)(C)C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906851475 712422257 /nfs/dbraw/zinc/42/22/57/712422257.db2.gz KMZDZEULNOMHPR-UHFFFAOYSA-N -2 0 301.364 1.757 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])[C@H]1CC12CCC(F)(F)CC2 ZINC001183597156 743867361 /nfs/dbraw/zinc/86/73/61/743867361.db2.gz WZHKBMMSKPNOSM-MRVPVSSYSA-N -2 0 313.237 1.428 20 0 DDADRL CSc1cccc(NC(=O)NCCOP(=O)([O-])[O-])c1 ZINC001188060506 744654568 /nfs/dbraw/zinc/65/45/68/744654568.db2.gz WHVIBERMXSVPLX-UHFFFAOYSA-N -2 0 306.280 1.639 20 0 DDADRL C[C@@H]1C[C@H](O)CCN1C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189888025 745042415 /nfs/dbraw/zinc/04/24/15/745042415.db2.gz UEAFEZUGRDUHSH-NXEZZACHSA-N -2 0 315.262 1.144 20 0 DDADRL Cc1ccc(-c2cc(C(=O)NCCOP(=O)([O-])[O-])c[nH]2)cc1 ZINC001193782593 746192171 /nfs/dbraw/zinc/19/21/71/746192171.db2.gz YUFUYXKFJGVFRV-UHFFFAOYSA-N -2 0 324.273 1.829 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnn2cccnc12 ZINC001198739462 747585281 /nfs/dbraw/zinc/58/52/81/747585281.db2.gz UVOGAFGEGKYSSW-UHFFFAOYSA-N -2 0 318.314 1.228 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1scc2c1CCCC2 ZINC001153627535 749152102 /nfs/dbraw/zinc/15/21/02/749152102.db2.gz HSWCKSPNWQGDAK-UHFFFAOYSA-N -2 0 305.292 1.466 20 0 DDADRL COc1nc(NCCOP(=O)([O-])[O-])ncc1C(F)(F)F ZINC001168589960 751206708 /nfs/dbraw/zinc/20/67/08/751206708.db2.gz RYPDAOHZMDYMOQ-UHFFFAOYSA-N -2 0 317.160 1.025 20 0 DDADRL N=c1ccc(Cl)c(N)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176239690 778089808 /nfs/dbraw/zinc/08/98/08/778089808.db2.gz QXZHMXQBDSKFDE-UHFFFAOYSA-N -2 0 307.693 1.589 20 0 DDADRL Cc1[nH]c(=S)sc1CC(=O)NCCCC[P@@](=O)([O-])O ZINC001177603115 778664128 /nfs/dbraw/zinc/66/41/28/778664128.db2.gz KMXODIYGCVRGCK-UHFFFAOYSA-N -2 0 324.364 1.357 20 0 DDADRL Cc1sc2ncnc(NCCOP(=O)([O-])[O-])c2c1C ZINC001157788074 864140152 /nfs/dbraw/zinc/14/01/52/864140152.db2.gz ZMACMLSKQGGNLZ-UHFFFAOYSA-N -2 0 303.280 1.829 20 0 DDADRL CCOC(=O)c1cnc(NCCOP(=O)([O-])[O-])c(C)c1 ZINC001157788091 864140358 /nfs/dbraw/zinc/14/03/58/864140358.db2.gz ZVZONTBWHIYRBL-UHFFFAOYSA-N -2 0 304.239 1.088 20 0 DDADRL CN(C)C(=O)c1nc(CNc2cc([S-])cc([S-])c2)no1 ZINC001164260338 869068839 /nfs/dbraw/zinc/06/88/39/869068839.db2.gz IIWJRUAPVSAJRZ-UHFFFAOYSA-N -2 0 310.404 1.961 20 0 DDADRL CC[C@H](OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1ccccc1 ZINC001223704209 881067239 /nfs/dbraw/zinc/06/72/39/881067239.db2.gz FDODHUYJZCDMKP-MDZLAQPJSA-N -2 0 310.302 1.217 20 0 DDADRL O=C(NCc1n[nH]c(=O)[n-]1)c1cccc(C(F)(F)F)c1[O-] ZINC001362215890 883322536 /nfs/dbraw/zinc/32/25/36/883322536.db2.gz WZQMGQBUXVARQE-UHFFFAOYSA-N -2 0 302.212 1.165 20 0 DDADRL Cc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccc1C(C)C ZINC001228200306 883386494 /nfs/dbraw/zinc/38/64/94/883386494.db2.gz FNVGDUJBQLKZLY-GXTWGEPZSA-N -2 0 324.329 1.560 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1ncc(C(F)(F)F)cc1Cl ZINC001362799084 884670769 /nfs/dbraw/zinc/67/07/69/884670769.db2.gz YXRQJQFNJLLTCJ-UHFFFAOYSA-N -2 0 323.618 1.140 20 0 DDADRL O=C(c1ccc(Cl)c([O-])c1)N1CCC(c2nnn[n-]2)CC1 ZINC001363281460 885904324 /nfs/dbraw/zinc/90/43/24/885904324.db2.gz IHTBBJCASBIGOK-UHFFFAOYSA-N -2 0 307.741 1.579 20 0 DDADRL O=C([O-])C[C@H](C(=O)Oc1ccc(C2CCC2)cc1)[C@H](O)C(=O)[O-] ZINC001234300923 887841403 /nfs/dbraw/zinc/84/14/03/887841403.db2.gz PUWLWNIMPFOJAV-JSGCOSHPSA-N -2 0 322.313 1.396 20 0 DDADRL COC(=O)c1ccccc1S(=O)(=O)[N-]c1cncc(O)c1 ZINC001253950288 896176631 /nfs/dbraw/zinc/17/66/31/896176631.db2.gz WVTXDQSXFXKTOH-UHFFFAOYSA-N -2 0 308.315 1.375 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(CO)nc2)c1 ZINC001260184221 899076306 /nfs/dbraw/zinc/07/63/06/899076306.db2.gz BVBIKRHBMIBFST-UHFFFAOYSA-N -2 0 308.315 1.073 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccn3cnnc3c2)cc1 ZINC001260222202 899095210 /nfs/dbraw/zinc/09/52/10/899095210.db2.gz QHPUCPJUCFZJIX-UHFFFAOYSA-N -2 0 318.314 1.228 20 0 DDADRL CN(CCCC(=O)[O-])C(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000417731166 529879566 /nfs/dbraw/zinc/87/95/66/529879566.db2.gz FNLNZNHBVMTFSI-UHFFFAOYSA-N -2 0 300.384 1.586 20 0 DDADRL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000314321588 354484666 /nfs/dbraw/zinc/48/46/66/354484666.db2.gz YRJJQBISJRAKAP-RQJHMYQMSA-N -2 0 320.298 1.121 20 0 DDADRL CC(C)(CCNC(=O)N1CCC[C@H](CC(=O)[O-])C1)C(=O)[O-] ZINC000565358181 304064737 /nfs/dbraw/zinc/06/47/37/304064737.db2.gz LDYITFGOJYPXIV-SNVBAGLBSA-N -2 0 300.355 1.384 20 0 DDADRL C[C@@H]1CN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC[C@H]1C(=O)[O-] ZINC000626773365 367738731 /nfs/dbraw/zinc/73/87/31/367738731.db2.gz NOHWKBGQXLDBLJ-YUSALJHKSA-N -2 0 312.366 1.240 20 0 DDADRL Cc1cc(C(=O)Nc2cccnc2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000173505115 248339516 /nfs/dbraw/zinc/33/95/16/248339516.db2.gz LTOHUDNRTGCJDN-UHFFFAOYSA-N -2 0 311.301 1.288 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cn1C ZINC000050253141 183779512 /nfs/dbraw/zinc/77/95/12/183779512.db2.gz CBUUVXBGZAXVIT-UHFFFAOYSA-N -2 0 309.347 1.156 20 0 DDADRL CC(C)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cn1 ZINC000061683255 184182547 /nfs/dbraw/zinc/18/25/47/184182547.db2.gz LXJKXXXFWIKQAE-UHFFFAOYSA-N -2 0 312.351 1.302 20 0 DDADRL CC(C)Oc1ccc(=NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)[n-]n1 ZINC000567879410 304250994 /nfs/dbraw/zinc/25/09/94/304250994.db2.gz SNJJYRRHVXDECR-MNOVXSKESA-N -2 0 322.365 1.260 20 0 DDADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c[nH]cn2)ccc1Cl ZINC000070415582 406815356 /nfs/dbraw/zinc/81/53/56/406815356.db2.gz NITJFOYIVYYBEI-UHFFFAOYSA-N -2 0 301.711 1.562 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccccc1CCCC(=O)[O-] ZINC000281821502 408936191 /nfs/dbraw/zinc/93/61/91/408936191.db2.gz KFPCQJKIGMGNLM-UHFFFAOYSA-N -2 0 323.374 1.926 20 0 DDADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000222858970 163334199 /nfs/dbraw/zinc/33/41/99/163334199.db2.gz FZVKLRHQTKUBOG-UHFFFAOYSA-N -2 0 309.347 1.482 20 0 DDADRL Cn1nc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1C1CC1 ZINC000290564347 409447041 /nfs/dbraw/zinc/44/70/41/409447041.db2.gz SJKIBOKGURKJBG-UHFFFAOYSA-N -2 0 321.358 1.797 20 0 DDADRL C[C@@H]1CCc2sc(C(=O)N=c3ncn(CC(=O)[O-])[n-]3)cc2C1 ZINC000647780759 423045008 /nfs/dbraw/zinc/04/50/08/423045008.db2.gz MMQXHORRQBWMDF-MRVPVSSYSA-N -2 0 320.374 1.223 20 0 DDADRL COC1(CS(=O)(=O)[N-]c2cc(F)ccc2O)CCOCC1 ZINC000650185086 423077254 /nfs/dbraw/zinc/07/72/54/423077254.db2.gz OCSHJIITVGWROX-UHFFFAOYSA-N -2 0 319.354 1.469 20 0 DDADRL CC(C)(CCNC(=O)N=c1ncn(C2CCCCC2)[n-]1)C(=O)[O-] ZINC000424385860 420315474 /nfs/dbraw/zinc/31/54/74/420315474.db2.gz VBACPSHAXNNADH-UHFFFAOYSA-N -2 0 323.397 1.828 20 0 DDADRL CCc1nc(C)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)s1 ZINC000489006539 421130720 /nfs/dbraw/zinc/13/07/20/421130720.db2.gz GTQCBMKIVYMNQS-UHFFFAOYSA-N -2 0 315.376 1.841 20 0 DDADRL Cc1nc(C)c(CNS(=O)(=O)c2cc(C(=O)[O-])co2)s1 ZINC000563071666 421450530 /nfs/dbraw/zinc/45/05/30/421450530.db2.gz GQJUTEXMIQENDV-UHFFFAOYSA-N -2 0 316.360 1.530 20 0 DDADRL CCC(CC)(CNC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC000571163382 421692538 /nfs/dbraw/zinc/69/25/38/421692538.db2.gz BVSIDDQHOZLXNB-GHMZBOCLSA-N -2 0 314.382 1.630 20 0 DDADRL CCCc1n[n-]c(=NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)s1 ZINC000571301004 421705199 /nfs/dbraw/zinc/70/51/99/421705199.db2.gz FELILBCGRYPWEJ-VIFPVBQESA-N -2 0 312.395 1.631 20 0 DDADRL C[C@H]1CCN(C(=O)N=c2[n-]nc(C(F)F)s2)C[C@@H]1C(=O)[O-] ZINC000581072523 421893980 /nfs/dbraw/zinc/89/39/80/421893980.db2.gz SVZBCPXMUSPEMY-WDSKDSINSA-N -2 0 320.321 1.472 20 0 DDADRL CC1(C(=O)[O-])CCN(S(=O)(=O)c2cc([O-])cc(F)c2)CC1 ZINC000630444781 422108302 /nfs/dbraw/zinc/10/83/02/422108302.db2.gz RTFHGLCIYVBINQ-UHFFFAOYSA-N -2 0 317.338 1.407 20 0 DDADRL O=C([O-])[C@]1(CN=c2nc(-c3ccccc3)[n-]s2)CCCOC1 ZINC000630462999 422119642 /nfs/dbraw/zinc/11/96/42/422119642.db2.gz HOSIRJAAIVLIGZ-HNNXBMFYSA-N -2 0 319.386 1.920 20 0 DDADRL O=C([O-])COc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000656857920 423806368 /nfs/dbraw/zinc/80/63/68/423806368.db2.gz HAYVEWDWXZVOMI-LBPRGKRZSA-N -2 0 307.302 1.229 20 0 DDADRL O=C([O-])[C@@H](CNC(=O)NC[C@@H](C(=O)[O-])C1CCC1)C1CCC1 ZINC000665317047 424781775 /nfs/dbraw/zinc/78/17/75/424781775.db2.gz TZSSYMNPRDUZBZ-TXEJJXNPSA-N -2 0 312.366 1.287 20 0 DDADRL CC(C)C[C@H](CNC(=O)NC[C@@H](CC(C)C)C(=O)[O-])C(=O)[O-] ZINC000424434597 279153536 /nfs/dbraw/zinc/15/35/36/279153536.db2.gz UHIFEYBAKWCCQA-VXGBXAGGSA-N -2 0 316.398 1.779 20 0 DDADRL O=C([O-])c1cc(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)ccn1 ZINC000362490915 300077044 /nfs/dbraw/zinc/07/70/44/300077044.db2.gz VIGMMTCYMUYOQR-UHFFFAOYSA-N -2 0 310.273 1.212 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CC1CCCC1)C(=O)[O-] ZINC000548541131 307775402 /nfs/dbraw/zinc/77/54/02/307775402.db2.gz WZCFLHUEKYIQTK-APPZFPTMSA-N -2 0 317.329 1.890 20 0 DDADRL O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)C1(C(=O)[O-])CCC1 ZINC000663026187 484608777 /nfs/dbraw/zinc/60/87/77/484608777.db2.gz MRXBJTNOFRKIJR-ZDUSSCGKSA-N -2 0 319.357 1.834 20 0 DDADRL O=C([O-])COc1cccc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000663120023 484684091 /nfs/dbraw/zinc/68/40/91/484684091.db2.gz NUEDOIGZUYALOG-GFCCVEGCSA-N -2 0 321.329 1.619 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)CC1 ZINC000663129566 484691089 /nfs/dbraw/zinc/69/10/89/484691089.db2.gz YBKLMAABCRXWDD-INIZCTEOSA-N -2 0 309.362 1.901 20 0 DDADRL O=C([O-])CCCCCNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666554399 485270117 /nfs/dbraw/zinc/27/01/17/485270117.db2.gz ZNDDOSPDPCNCTM-UHFFFAOYSA-N -2 0 308.334 1.829 20 0 DDADRL O=C([O-])Cn1cc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)nn1 ZINC000494494709 534510119 /nfs/dbraw/zinc/51/01/19/534510119.db2.gz PZXOIHHHMOCDDD-WAYWQWQTSA-N -2 0 324.296 1.780 20 0 DDADRL CC(C)(CCNC(=O)N=c1[n-]nc(C(F)F)s1)C(=O)[O-] ZINC000424473280 527038858 /nfs/dbraw/zinc/03/88/58/527038858.db2.gz QJJXLBVYTOJPBC-UHFFFAOYSA-N -2 0 308.310 1.520 20 0 DDADRL CC(C)C[C@H](CNC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC000424421464 528524223 /nfs/dbraw/zinc/52/42/23/528524223.db2.gz DCFSDQYVKDGVDY-LLVKDONJSA-N -2 0 300.355 1.240 20 0 DDADRL O=C([O-])c1cccc(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)c1 ZINC000821548441 598153667 /nfs/dbraw/zinc/15/36/67/598153667.db2.gz TUQAPLWQROSGEU-ZDUSSCGKSA-N -2 0 323.312 1.417 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)o1 ZINC000740155844 599735380 /nfs/dbraw/zinc/73/53/80/599735380.db2.gz XDNWWUXEYMQMKZ-UHFFFAOYSA-N -3 0 311.271 1.477 20 0 DDADRL COc1ccccc1S(=O)(=O)[N-]c1cc(C)[nH]c1C(=O)[O-] ZINC000163438861 600176038 /nfs/dbraw/zinc/17/60/38/600176038.db2.gz AXUAMHIYDDLUAK-UHFFFAOYSA-N -2 0 310.331 1.831 20 0 DDADRL CCC/C=C/C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736975062 600272050 /nfs/dbraw/zinc/27/20/50/600272050.db2.gz PWHXZLQGLGQUOG-SNAWJCMRSA-N -2 0 303.361 1.608 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)c[nH]1 ZINC000738889216 600301296 /nfs/dbraw/zinc/30/12/96/600301296.db2.gz QYCQSGBUQXXIJV-UHFFFAOYSA-N -2 0 324.362 1.629 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)C=C(C1CC1)C1CC1 ZINC000739695084 600460831 /nfs/dbraw/zinc/46/08/31/600460831.db2.gz CFXQGPJXLNFHHV-UHFFFAOYSA-N -2 0 301.364 1.044 20 0 DDADRL Cc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])ccc1F ZINC000738332556 600462595 /nfs/dbraw/zinc/46/25/95/600462595.db2.gz JJSVPHFCDSOZBB-UHFFFAOYSA-N -2 0 303.311 1.059 20 0 DDADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1cccnc1Cl ZINC000079701373 600512579 /nfs/dbraw/zinc/51/25/79/600512579.db2.gz TYDCPLPCTSJACG-UHFFFAOYSA-N -2 0 313.722 1.629 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-] ZINC000736964012 600520066 /nfs/dbraw/zinc/52/00/66/600520066.db2.gz BUBTYMHOIZFPPZ-JTQLQIEISA-N -2 0 308.400 1.259 20 0 DDADRL CC[C@@](C)(NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C(=O)[O-] ZINC000736861837 600663621 /nfs/dbraw/zinc/66/36/21/600663621.db2.gz RGCNEYNYBVECKF-MRXNPFEDSA-N -2 0 317.345 1.457 20 0 DDADRL O=C([O-])N1CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])CC1 ZINC000833279663 600704430 /nfs/dbraw/zinc/70/44/30/600704430.db2.gz KYIOBOYKGFOHMC-UHFFFAOYSA-N -2 0 316.317 1.014 20 0 DDADRL CC(C)n1cc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])cn1 ZINC000827186289 600983562 /nfs/dbraw/zinc/98/35/62/600983562.db2.gz FJDKIWUGRKETSI-UHFFFAOYSA-N -2 0 310.335 1.358 20 0 DDADRL O=C([O-])[C@H]1CCCN(C(=O)CSc2n[n-]c(=S)s2)C1 ZINC000833188799 601281353 /nfs/dbraw/zinc/28/13/53/601281353.db2.gz JOICUMHFVNXCOX-LURJTMIESA-N -2 0 319.433 1.242 20 0 DDADRL CCC[C@@H](NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C)c1nnn[n-]1 ZINC000829231235 601304838 /nfs/dbraw/zinc/30/48/38/601304838.db2.gz USZPILMHXLXJJV-SECBINFHSA-N -2 0 320.353 1.368 20 0 DDADRL CN(C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)ccn1 ZINC000830631623 601473406 /nfs/dbraw/zinc/47/34/06/601473406.db2.gz SVLWIWFKHVRBPV-UHFFFAOYSA-N -2 0 311.319 1.240 20 0 DDADRL Cc1nnc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)s1 ZINC000123514693 601502010 /nfs/dbraw/zinc/50/20/10/601502010.db2.gz QSUOJTGRZBXPPG-UHFFFAOYSA-N -2 0 317.323 1.485 20 0 DDADRL Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)c1 ZINC000832887789 601784826 /nfs/dbraw/zinc/78/48/26/601784826.db2.gz HTGRJNNZEXKWQS-UHFFFAOYSA-N -2 0 312.322 1.972 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)nc2)cs1 ZINC000165782200 602156614 /nfs/dbraw/zinc/15/66/14/602156614.db2.gz XAEGODBNFFFYKE-UHFFFAOYSA-N -2 0 302.308 1.781 20 0 DDADRL CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-])cc1 ZINC000830094605 602178113 /nfs/dbraw/zinc/17/81/13/602178113.db2.gz QHKPEZVWHUNNLQ-VIFPVBQESA-N -2 0 315.347 1.001 20 0 DDADRL O=C([O-])N1CCc2cc([N-]S(=O)(=O)c3c[nH]cn3)ccc21 ZINC000740528684 603295078 /nfs/dbraw/zinc/29/50/78/603295078.db2.gz DGLKJKORMPWTCJ-UHFFFAOYSA-N -2 0 308.319 1.251 20 0 DDADRL O=C([O-])NCC1(C(=O)[N-]S(=O)(=O)C2CCCC2)CCCC1 ZINC000832442857 603790358 /nfs/dbraw/zinc/79/03/58/603790358.db2.gz CFLITJDXUILPJD-UHFFFAOYSA-N -2 0 318.395 1.203 20 0 DDADRL CC(C)(CCC(=O)[N-]S(=O)(=O)C1CCCC1)NC(=O)[O-] ZINC000823890598 604124642 /nfs/dbraw/zinc/12/46/42/604124642.db2.gz VKDRGBFSJDKCEG-UHFFFAOYSA-N -2 0 306.384 1.201 20 0 DDADRL O=C([O-])N[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)C2CCCC2)C1 ZINC000832323608 604126288 /nfs/dbraw/zinc/12/62/88/604126288.db2.gz FLXSYAPOQAYCOF-UWVGGRQHSA-N -2 0 318.395 1.201 20 0 DDADRL O=C([O-])N1CC(NC(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000833130969 604766745 /nfs/dbraw/zinc/76/67/45/604766745.db2.gz AIGREMABTMHCBY-UHFFFAOYSA-N -2 0 305.117 1.791 20 0 DDADRL CC(C)CCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826861226 604882600 /nfs/dbraw/zinc/88/26/00/604882600.db2.gz RIIRVKBFIMNZHM-UHFFFAOYSA-N -2 0 317.338 1.630 20 0 DDADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)C2CCCC2)cc1F ZINC000833148714 604888478 /nfs/dbraw/zinc/88/84/78/604888478.db2.gz QGMCBAUWHSPCEZ-UHFFFAOYSA-N -2 0 315.322 1.526 20 0 DDADRL O=C([O-])c1cccc(CCNC(=O)C2CCN(C(=O)[O-])CC2)c1 ZINC000834283119 605308627 /nfs/dbraw/zinc/30/86/27/605308627.db2.gz JICUWLLVGUKKNW-UHFFFAOYSA-N -2 0 320.345 1.434 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000834246879 606030470 /nfs/dbraw/zinc/03/04/70/606030470.db2.gz RYQOLWKKIAHNMK-UHFFFAOYSA-N -2 0 306.318 1.391 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000834059724 606030872 /nfs/dbraw/zinc/03/08/72/606030872.db2.gz UHEAPBWHGQJCTE-RNJOBUHISA-N -2 0 324.377 1.621 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000834171811 606031660 /nfs/dbraw/zinc/03/16/60/606031660.db2.gz GNLCZUMGJTYJKJ-QWHCGFSZSA-N -2 0 320.345 1.480 20 0 DDADRL CC(C)[C@@H](NC(=O)C[C@H](Cc1ccccc1)NC(=O)[O-])C(=O)[O-] ZINC000833792226 606032243 /nfs/dbraw/zinc/03/22/43/606032243.db2.gz BUKFGPBIFPATRB-GXTWGEPZSA-N -2 0 322.361 1.481 20 0 DDADRL O=C([O-])N[C@H](CC(=O)NC1(C(=O)[O-])CCCC1)c1ccccc1 ZINC000834121670 606034518 /nfs/dbraw/zinc/03/45/18/606034518.db2.gz HWUCMGCNFVWMRB-GFCCVEGCSA-N -2 0 320.345 1.899 20 0 DDADRL C[C@@H](C(=O)[O-])[C@@H](NC(=O)CCCN(C)C(=O)[O-])c1ccccc1 ZINC000833790907 606053822 /nfs/dbraw/zinc/05/38/22/606053822.db2.gz QRIQOKVVNZQDRT-BXUZGUMPSA-N -2 0 322.361 1.955 20 0 DDADRL O=C([O-])C[C@@H](NC(=O)C[C@@H](NC(=O)[O-])c1ccccc1)C1CC1 ZINC000834061172 606054363 /nfs/dbraw/zinc/05/43/63/606054363.db2.gz PUFDRUZXLUZVRT-CHWSQXEVSA-N -2 0 320.345 1.755 20 0 DDADRL CCc1nc2ccccc2n1CC(=O)[N-]OC[C@H](C)NC(=O)[O-] ZINC000833866593 606068464 /nfs/dbraw/zinc/06/84/64/606068464.db2.gz MWFXDRVVPIDOIQ-JTQLQIEISA-N -2 0 320.349 1.303 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)cc1 ZINC000834246846 606068557 /nfs/dbraw/zinc/06/85/57/606068557.db2.gz RCVSCTZWNWHZCH-AWEZNQCLSA-N -2 0 324.358 1.144 20 0 DDADRL O=C([O-])NCCCC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000834229313 606113102 /nfs/dbraw/zinc/11/31/02/606113102.db2.gz DMKITWBCNFWKNG-LBPRGKRZSA-N -2 0 306.318 1.245 20 0 DDADRL Cc1cc(C)c(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)c(C)c1 ZINC000016099728 696060663 /nfs/dbraw/zinc/06/06/63/696060663.db2.gz ZSTUPDKMSHRZCR-UHFFFAOYSA-N -2 0 319.386 1.630 20 0 DDADRL O=C([O-])CC1CC([N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000718117337 699293158 /nfs/dbraw/zinc/29/31/58/699293158.db2.gz YBKPJPRZGCCPDE-UHFFFAOYSA-N -2 0 305.302 1.496 20 0 DDADRL CC(C)CCS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000863954753 706045728 /nfs/dbraw/zinc/04/57/28/706045728.db2.gz LSUUSEIFUAMELG-NSHDSACASA-N -2 0 305.396 1.370 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])nc1 ZINC000863955222 706045974 /nfs/dbraw/zinc/04/59/74/706045974.db2.gz DWGDGLUCLOWBCS-UHFFFAOYSA-N -2 0 300.336 1.028 20 0 DDADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)CCC(F)(F)F ZINC000863961757 706047040 /nfs/dbraw/zinc/04/70/40/706047040.db2.gz UODSSFTXVYWLPL-UHFFFAOYSA-N -2 0 319.301 1.276 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])sc1C ZINC000863963745 706047312 /nfs/dbraw/zinc/04/73/12/706047312.db2.gz GJNCQPHIOXEQRE-UHFFFAOYSA-N -2 0 320.392 1.210 20 0 DDADRL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000863965278 706047891 /nfs/dbraw/zinc/04/78/91/706047891.db2.gz FFYNZFKBNRMDCD-UHFFFAOYSA-N -2 0 319.766 1.397 20 0 DDADRL CC1CCC(=CC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])CC1 ZINC000910188972 709803877 /nfs/dbraw/zinc/80/38/77/709803877.db2.gz NXQKHUDLZRFDFL-OLPBLLBXSA-N -2 0 309.362 1.899 20 0 DDADRL CCCCSCCC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910189140 709803951 /nfs/dbraw/zinc/80/39/51/709803951.db2.gz QSURVSJSHWFFCN-WDEREUQCSA-N -2 0 317.407 1.686 20 0 DDADRL CCCCSCC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910192426 709805613 /nfs/dbraw/zinc/80/56/13/709805613.db2.gz PXSGKQQONVTNDR-VHSXEESVSA-N -2 0 303.380 1.296 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)C1CCC(F)(F)CC1 ZINC000910191770 709805737 /nfs/dbraw/zinc/80/57/37/709805737.db2.gz LWEOLNQECGCUPY-VHSXEESVSA-N -2 0 319.304 1.588 20 0 DDADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000901654283 710109895 /nfs/dbraw/zinc/10/98/95/710109895.db2.gz ISESWKQVHSSUKZ-ZYHUDNBSSA-N -2 0 305.330 1.497 20 0 DDADRL O=C(c1ccc([O-])c(Cl)c1)N1CCC(c2nnn[n-]2)CC1 ZINC000913742558 713292181 /nfs/dbraw/zinc/29/21/81/713292181.db2.gz JCQYVBMWXMNLFJ-UHFFFAOYSA-N -2 0 307.741 1.579 20 0 DDADRL C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000906788716 712411818 /nfs/dbraw/zinc/41/18/18/712411818.db2.gz LWSPNCYNAKJFII-LBPRGKRZSA-N -2 0 319.766 1.673 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)CC(=O)[O-] ZINC000917729376 713511429 /nfs/dbraw/zinc/51/14/29/713511429.db2.gz FFVDHTNAPFWHEG-QMMMGPOBSA-N -2 0 315.347 1.089 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC000923104786 714238377 /nfs/dbraw/zinc/23/83/77/714238377.db2.gz YSSJFEYDMZAIEG-UJPOAAIJSA-N -2 0 309.362 1.589 20 0 DDADRL Cc1cc(NC(=N)SCCS(=O)(=O)[O-])cnc1C(=O)[O-] ZINC001168093824 741433422 /nfs/dbraw/zinc/43/34/22/741433422.db2.gz RAQUPAKKDFOOEL-UHFFFAOYSA-N -2 0 319.364 1.056 20 0 DDADRL Cc1cc(C)c(NC(=O)NCCOP(=O)([O-])[O-])c(C)c1 ZINC001182038910 743447263 /nfs/dbraw/zinc/44/72/63/743447263.db2.gz VOSPEBMEVKLSCQ-UHFFFAOYSA-N -2 0 302.267 1.843 20 0 DDADRL COCCN(CCC(=O)[O-])C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000908958217 743608320 /nfs/dbraw/zinc/60/83/20/743608320.db2.gz OWYDHAJYJIBAAE-UHFFFAOYSA-N -2 0 319.716 1.748 20 0 DDADRL COc1nccnc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184664166 744080279 /nfs/dbraw/zinc/08/02/79/744080279.db2.gz NHEYDJHXKYPWTA-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL Cc1cnc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C)n1 ZINC001184664276 744080347 /nfs/dbraw/zinc/08/03/47/744080347.db2.gz PWHABSVTGNQQJW-UHFFFAOYSA-N -2 0 321.358 1.901 20 0 DDADRL O=S(=O)([O-])c1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC001185383712 744212758 /nfs/dbraw/zinc/21/27/58/744212758.db2.gz FWKOZZQWJVFMKC-UHFFFAOYSA-N -2 0 319.385 1.796 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncc(F)s2)ccc1F ZINC001186143679 744350102 /nfs/dbraw/zinc/35/01/02/744350102.db2.gz QEPDJTQPDQXQFR-UHFFFAOYSA-N -2 0 320.298 1.920 20 0 DDADRL Cc1ncc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1C ZINC001186150376 744350931 /nfs/dbraw/zinc/35/09/31/744350931.db2.gz DGJMOOJXHNYOHC-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL Cc1ccc(Cl)cc1NC(=O)NCCOP(=O)([O-])[O-] ZINC001188745460 744760159 /nfs/dbraw/zinc/76/01/59/744760159.db2.gz RDFNQWNPEBBZSN-UHFFFAOYSA-N -2 0 308.658 1.879 20 0 DDADRL Cc1cncnc1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189870206 745008571 /nfs/dbraw/zinc/00/85/71/745008571.db2.gz BLBSKPBEHVSHOI-UHFFFAOYSA-N -2 0 309.218 1.509 20 0 DDADRL CC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189888089 745042339 /nfs/dbraw/zinc/04/23/39/745042339.db2.gz VWHPBYZOSGKFGQ-NSHDSACASA-N -2 0 313.246 1.352 20 0 DDADRL C[C@H]1C[C@H](NC(=O)c2ccccc2OP(=O)([O-])[O-])CCO1 ZINC001189898492 745047525 /nfs/dbraw/zinc/04/75/25/745047525.db2.gz DLQYXBMGZUAQSB-VHSXEESVSA-N -2 0 315.262 1.455 20 0 DDADRL O=C(NCCCC[P@](=O)([O-])O)c1ccc(F)c(F)c1[O-] ZINC001192812031 745901297 /nfs/dbraw/zinc/90/12/97/745901297.db2.gz ZPRDEADIWGPDFY-UHFFFAOYSA-N -2 0 309.205 1.358 20 0 DDADRL CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ncc(F)cc1[O-] ZINC001193023980 745963005 /nfs/dbraw/zinc/96/30/05/745963005.db2.gz CCAKJCNRTAISHF-UHFFFAOYSA-N -2 0 306.315 1.010 20 0 DDADRL CCOc1nccnc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198738957 747585021 /nfs/dbraw/zinc/58/50/21/747585021.db2.gz IXGXBWXSGSKWEI-UHFFFAOYSA-N -2 0 323.330 1.374 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cn2ccccc2n1 ZINC001198746652 747589098 /nfs/dbraw/zinc/58/90/98/747589098.db2.gz HSQGSBSYTGKLMR-UHFFFAOYSA-N -2 0 317.326 1.833 20 0 DDADRL CC(=O)c1ccc([O-])c(NC(=O)CCCn2c(=O)[n-][nH]c2=O)c1 ZINC001152939860 748670420 /nfs/dbraw/zinc/67/04/20/748670420.db2.gz YQEVHBIZUOZBHK-UHFFFAOYSA-N -2 0 320.305 1.016 20 0 DDADRL COCOc1ccc(OC)cc1NCCOP(=O)([O-])[O-] ZINC001168594927 751258581 /nfs/dbraw/zinc/25/85/81/751258581.db2.gz DVAYKIMFMRSITA-UHFFFAOYSA-N -2 0 307.239 1.199 20 0 DDADRL O=P([O-])([O-])c1ccc(NCc2cccc3ccnn32)cc1 ZINC001170708411 770292967 /nfs/dbraw/zinc/29/29/67/770292967.db2.gz YWUVPHRSOGFFLP-UHFFFAOYSA-N -2 0 303.258 1.749 20 0 DDADRL Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)cc1N ZINC001174809375 777606741 /nfs/dbraw/zinc/60/67/41/777606741.db2.gz FVDOLXYACMORPV-UHFFFAOYSA-N -2 0 313.360 1.412 20 0 DDADRL COCCn1ncc(C)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236721 778087970 /nfs/dbraw/zinc/08/79/70/778087970.db2.gz CQBDSGFJNNPDBA-UHFFFAOYSA-N -2 0 319.317 1.978 20 0 DDADRL COc1ncnc(OC)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176240289 778090749 /nfs/dbraw/zinc/09/07/49/778090749.db2.gz VUKZFBUDSKGXNE-UHFFFAOYSA-N -2 0 319.273 1.634 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(Cl)nc2[nH]cc(F)c21 ZINC001157787933 864139660 /nfs/dbraw/zinc/13/96/60/864139660.db2.gz RHTRNAQNFUKXAW-UHFFFAOYSA-N -2 0 310.609 1.223 20 0 DDADRL COc1cc(C)c2ncnc(NCCOP(=O)([O-])[O-])c2c1 ZINC001157795895 864149317 /nfs/dbraw/zinc/14/93/17/864149317.db2.gz WRLWGPXSQFPJRL-UHFFFAOYSA-N -2 0 313.250 1.468 20 0 DDADRL Cc1csc2nc(C)nc(NCCOP(=O)([O-])[O-])c12 ZINC001157795399 864149559 /nfs/dbraw/zinc/14/95/59/864149559.db2.gz BBXFEYFUUXSLLU-UHFFFAOYSA-N -2 0 303.280 1.829 20 0 DDADRL CCCc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001227180021 882896869 /nfs/dbraw/zinc/89/68/69/882896869.db2.gz DECMTULZZFTMLV-AAEUAGOBSA-N -2 0 310.302 1.081 20 0 DDADRL CC(C)CN(Cc1nnn[n-]1)C(=O)c1ccc(Cl)c([O-])c1 ZINC001362840390 884770153 /nfs/dbraw/zinc/77/01/53/884770153.db2.gz ZQCFHQWWDIQAEQ-UHFFFAOYSA-N -2 0 309.757 1.857 20 0 DDADRL CC[S@](C)(=O)=NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC001364194216 888124363 /nfs/dbraw/zinc/12/43/63/888124363.db2.gz CGWICHJWDPJOJS-NRFANRHFSA-N -2 0 310.335 1.002 20 0 DDADRL O=C([O-])Cc1ccc(-c2ccc3c(c2)C(=O)[N-]S3(=O)=O)cc1 ZINC001240973595 891104952 /nfs/dbraw/zinc/10/49/52/891104952.db2.gz NDHGMKJUJFVTIP-UHFFFAOYSA-N -2 0 317.322 1.413 20 0 DDADRL COC(=O)c1cnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001242159137 891353847 /nfs/dbraw/zinc/35/38/47/891353847.db2.gz AGCARODFWHTLHO-UHFFFAOYSA-N -2 0 302.242 1.327 20 0 DDADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cnc(F)c(C(=O)[O-])c1 ZINC001244751015 891902227 /nfs/dbraw/zinc/90/22/27/891902227.db2.gz CLKHTHBRABGDIA-UHFFFAOYSA-N -3 0 305.217 1.982 20 0 DDADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(N)=O)c(O)c2)c1 ZINC001259638589 898756607 /nfs/dbraw/zinc/75/66/07/898756607.db2.gz QLFUIRWPMPZBPC-UHFFFAOYSA-N -2 0 324.333 1.739 20 0 DDADRL CC(=O)c1ncccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184397 899078019 /nfs/dbraw/zinc/07/80/19/899078019.db2.gz JFVAQEWNSNINTE-UHFFFAOYSA-N -2 0 320.326 1.783 20 0 DDADRL Cc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1C ZINC001260210581 899090470 /nfs/dbraw/zinc/09/04/70/899090470.db2.gz OIAUADMVBICOQT-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL CCn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1C ZINC001260221080 899092288 /nfs/dbraw/zinc/09/22/88/899092288.db2.gz GZRAKTRGYBDTCJ-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ncc(F)cc2O)cc1 ZINC001260222158 899095277 /nfs/dbraw/zinc/09/52/77/899095277.db2.gz OFAIKVRWZLXIHP-UHFFFAOYSA-N -2 0 312.278 1.425 20 0 DDADRL CS[C@H]1CCC[C@@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC000235150181 354332238 /nfs/dbraw/zinc/33/22/38/354332238.db2.gz MMOJHXIGUIUTFO-SFYZADRCSA-N -2 0 319.408 1.060 20 0 DDADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccn(C)n2)cc1)C(=O)[O-] ZINC000350728259 284249993 /nfs/dbraw/zinc/24/99/93/284249993.db2.gz AOOSKWQXEPAZMZ-SNVBAGLBSA-N -2 0 323.374 1.484 20 0 DDADRL Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000020226983 182199548 /nfs/dbraw/zinc/19/95/48/182199548.db2.gz RSHFHLXXURDHLR-UHFFFAOYSA-N -2 0 310.331 1.719 20 0 DDADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1c(C)cc(C)cc1C(=O)[O-] ZINC000285096088 218288937 /nfs/dbraw/zinc/28/89/37/218288937.db2.gz LZCAKIBLLXOLJD-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL O=C([O-])c1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)c(O)c1 ZINC000063155533 184274538 /nfs/dbraw/zinc/27/45/38/184274538.db2.gz WFMBZFAKUWRASC-SECBINFHSA-N -2 0 301.320 1.011 20 0 DDADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-] ZINC000013464548 406862791 /nfs/dbraw/zinc/86/27/91/406862791.db2.gz ZHOVEGTXKOKCMX-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL CC(C)(C)[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000035390825 406972374 /nfs/dbraw/zinc/97/23/74/406972374.db2.gz WAJBNURAZMMWEB-SNVBAGLBSA-N -2 0 307.318 1.742 20 0 DDADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1 ZINC000134617706 407917295 /nfs/dbraw/zinc/91/72/95/407917295.db2.gz JRUPEQSWBZKHIM-UHFFFAOYSA-N -2 0 309.347 1.618 20 0 DDADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cnn(C)c2)cc1)C(=O)[O-] ZINC000184655455 408662228 /nfs/dbraw/zinc/66/22/28/408662228.db2.gz YARPMGHYBREQFQ-JTQLQIEISA-N -2 0 323.374 1.484 20 0 DDADRL Cc1ncc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)s1 ZINC000337302512 410702591 /nfs/dbraw/zinc/70/25/91/410702591.db2.gz PTHTYPSVAJPBRS-UHFFFAOYSA-N -2 0 317.330 1.762 20 0 DDADRL CC[C@@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC)OC ZINC000421144906 419501052 /nfs/dbraw/zinc/50/10/52/419501052.db2.gz CBFYJXAJXNNRLG-JTQLQIEISA-N -2 0 317.363 1.560 20 0 DDADRL CC(C)C[C@@H](CNC(=O)N1CC[C@@](C)(C(=O)[O-])C1)C(=O)[O-] ZINC000424430226 420317135 /nfs/dbraw/zinc/31/71/35/420317135.db2.gz MIJXNCZOSMKIGQ-IINYFYTJSA-N -2 0 300.355 1.240 20 0 DDADRL CCC(=O)c1ccc([O-])c(NC(=O)Cc2n[n-]c(=NC)s2)c1 ZINC000436829102 420371995 /nfs/dbraw/zinc/37/19/95/420371995.db2.gz AJCSPLLPAQYDHY-UHFFFAOYSA-N -2 0 320.374 1.481 20 0 DDADRL CCCCc1n[n-]c(=NC(=O)N(C)CCCC(=O)[O-])s1 ZINC000417719729 420460450 /nfs/dbraw/zinc/46/04/50/420460450.db2.gz CZFHTRSDMHDJQE-UHFFFAOYSA-N -2 0 300.384 1.631 20 0 DDADRL O=C([O-])Cn1cc(/C=C/c2nc3ccc(C(=O)[O-])cc3o2)nn1 ZINC000439276687 420504411 /nfs/dbraw/zinc/50/44/11/420504411.db2.gz NDHKFUMWWBCDJC-DUXPYHPUSA-N -2 0 314.257 1.373 20 0 DDADRL C[C@@H]([C@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-])C1CC1 ZINC000548866742 421480885 /nfs/dbraw/zinc/48/08/85/421480885.db2.gz SIAWUJBMZHOQQN-CHKWXVPMSA-N -2 0 303.302 1.356 20 0 DDADRL Cc1ccc(-c2cc(=NC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)[nH][n-]2)o1 ZINC000581429188 421972007 /nfs/dbraw/zinc/97/20/07/421972007.db2.gz BKHIYISORRWHOZ-NWDGAFQWSA-N -2 0 303.318 1.695 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653326799 423442583 /nfs/dbraw/zinc/44/25/83/423442583.db2.gz LELYPQWMJDUJCV-AGIUHOORSA-N -2 0 305.330 1.773 20 0 DDADRL CCCSc1nc(=NC(=O)NC[C@@H](C)C(=O)[O-])s[n-]1 ZINC000653540690 423519522 /nfs/dbraw/zinc/51/95/22/423519522.db2.gz QKFMPMAPBIUGNX-ZCFIWIBFSA-N -2 0 304.397 1.304 20 0 DDADRL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000644572474 423710834 /nfs/dbraw/zinc/71/08/34/423710834.db2.gz SGNMDLLPAZXWMP-KBTIHESUSA-N -2 0 309.265 1.245 20 0 DDADRL C[C@@](CNC(=O)NCCCC(=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000652097918 423855984 /nfs/dbraw/zinc/85/59/84/423855984.db2.gz YWUFVCMGVYEDCF-HNNXBMFYSA-N -2 0 308.334 1.193 20 0 DDADRL O=C([O-])CCCCCNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000659762704 424229126 /nfs/dbraw/zinc/22/91/26/424229126.db2.gz PLLRREXXPFHLTR-UHFFFAOYSA-N -2 0 309.318 1.525 20 0 DDADRL O=C(N=c1[n-]ncn1-c1ccccc1)c1cc(-c2ccco2)[nH]n1 ZINC000344672321 272085966 /nfs/dbraw/zinc/08/59/66/272085966.db2.gz MYRDJBCMWQIBSO-UHFFFAOYSA-N -2 0 320.312 1.925 20 0 DDADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c(O)c1 ZINC000356033827 306828001 /nfs/dbraw/zinc/82/80/01/306828001.db2.gz GKKWMAANZLVNLO-UHFFFAOYSA-N -2 0 323.326 1.905 20 0 DDADRL C[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000576231398 308299415 /nfs/dbraw/zinc/29/94/15/308299415.db2.gz GIANEWXYXNMOFD-YFKPBYRVSA-N -2 0 313.709 1.617 20 0 DDADRL C[C@H]1C[C@@H](S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)CCO1 ZINC000577518748 308395239 /nfs/dbraw/zinc/39/52/39/308395239.db2.gz KOEMQSMFCSDBJK-IUCAKERBSA-N -2 0 317.338 1.833 20 0 DDADRL C[C@@H]1C[C@@H](S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)CCO1 ZINC000577518746 308395333 /nfs/dbraw/zinc/39/53/33/308395333.db2.gz KOEMQSMFCSDBJK-BDAKNGLRSA-N -2 0 317.338 1.833 20 0 DDADRL O=C([O-])c1csc(CCN=c2[n-]c(C3CCOCC3)no2)n1 ZINC000583206380 337270782 /nfs/dbraw/zinc/27/07/82/337270782.db2.gz CCDWYQPZVGEWGM-UHFFFAOYSA-N -2 0 324.362 1.195 20 0 DDADRL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)C1CCC1 ZINC000399213383 337314409 /nfs/dbraw/zinc/31/44/09/337314409.db2.gz QYDZCKPQWGCYKO-JTQLQIEISA-N -2 0 305.302 1.496 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000663136606 484695273 /nfs/dbraw/zinc/69/52/73/484695273.db2.gz YDAOHZLCJPWDOE-CHWSQXEVSA-N -2 0 305.330 1.554 20 0 DDADRL CC(C)C[C@H](CNC(=O)[C@H](C(=O)[O-])C(C)(C)C)CC(=O)[O-] ZINC000663139370 484698636 /nfs/dbraw/zinc/69/86/36/484698636.db2.gz BCQKPNXJUWKSIH-CMPLNLGQSA-N -2 0 301.383 1.987 20 0 DDADRL CCC(CC)(CNC(=O)N1CC[C@@](C)(C(=O)[O-])C1)C(=O)[O-] ZINC000424435451 528669678 /nfs/dbraw/zinc/66/96/78/528669678.db2.gz VJYMORACPLHLNE-CYBMUJFWSA-N -2 0 300.355 1.384 20 0 DDADRL O=C([O-])[C@@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000320676177 598219965 /nfs/dbraw/zinc/21/99/65/598219965.db2.gz KIIXDVZCAZABCP-XQQFMLRXSA-N -2 0 305.330 1.820 20 0 DDADRL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c1 ZINC000738576897 599739536 /nfs/dbraw/zinc/73/95/36/599739536.db2.gz IZEMGTXVPUOCNC-UHFFFAOYSA-N -2 0 309.347 1.385 20 0 DDADRL O=C([O-])c1sc2ccccc2c1CNC(=O)c1n[nH]c(=O)[n-]1 ZINC000739435498 599881851 /nfs/dbraw/zinc/88/18/51/599881851.db2.gz DVAPQKDOAAWECA-UHFFFAOYSA-N -2 0 318.314 1.353 20 0 DDADRL CCCn1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000737049240 600055614 /nfs/dbraw/zinc/05/56/14/600055614.db2.gz DBTFWVHQHUPBQB-UHFFFAOYSA-N -2 0 315.376 1.854 20 0 DDADRL Cc1nn(C)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1C ZINC000738375205 600126964 /nfs/dbraw/zinc/12/69/64/600126964.db2.gz HLEKLDULVPJLIN-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CC(C)(C)/C=C\C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736251016 600272869 /nfs/dbraw/zinc/27/28/69/600272869.db2.gz LIFLASWDVNORNI-SREVYHEPSA-N -2 0 317.388 1.854 20 0 DDADRL Cc1ccc(C)c([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000035651626 600672107 /nfs/dbraw/zinc/67/21/07/600672107.db2.gz JNMDIQFHVZZHJL-UHFFFAOYSA-N -2 0 309.347 1.385 20 0 DDADRL CCN(CC(=O)[O-])C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000829628498 600931021 /nfs/dbraw/zinc/93/10/21/600931021.db2.gz CFOFKPSAUYAMBT-UHFFFAOYSA-N -2 0 303.318 1.021 20 0 DDADRL CCCc1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1 ZINC000829566133 600986369 /nfs/dbraw/zinc/98/63/69/600986369.db2.gz FWGGIWTZCLFORY-UHFFFAOYSA-N -2 0 324.362 1.116 20 0 DDADRL O=C([O-])[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cccs2)C1 ZINC000833183183 601235731 /nfs/dbraw/zinc/23/57/31/601235731.db2.gz AHRSSLOLCJGUJL-IUCAKERBSA-N -2 0 317.388 1.444 20 0 DDADRL CCC(CC)(NC(=O)CSc1n[n-]c(=S)s1)C(=O)[O-] ZINC000828835244 601290733 /nfs/dbraw/zinc/29/07/33/601290733.db2.gz UOVLFVJYJVHEOC-UHFFFAOYSA-N -2 0 321.449 1.679 20 0 DDADRL Cc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)s1 ZINC000123512404 601501888 /nfs/dbraw/zinc/50/18/88/601501888.db2.gz IHVTVQYBROUORC-UHFFFAOYSA-N -2 0 313.360 1.654 20 0 DDADRL Cc1ccncc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000070069898 601575268 /nfs/dbraw/zinc/57/52/68/601575268.db2.gz IIYVAGKBMSMIPO-UHFFFAOYSA-N -2 0 306.343 1.818 20 0 DDADRL O=C([O-])[C@@]1(NC(=O)c2ccc3[n-]c(=S)oc3c2)CCOC1 ZINC000833127675 601767022 /nfs/dbraw/zinc/76/70/22/601767022.db2.gz OLGOHTCYEFADLY-CYBMUJFWSA-N -2 0 308.315 1.090 20 0 DDADRL Cc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c(C)n1 ZINC000832950608 601771414 /nfs/dbraw/zinc/77/14/14/601771414.db2.gz PDUPWTNQIIGGSI-UHFFFAOYSA-N -2 0 313.360 1.654 20 0 DDADRL CCn1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cn1 ZINC000830424514 601857952 /nfs/dbraw/zinc/85/79/52/601857952.db2.gz WGSLCAIRYAIDJN-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL O=C([O-])NC[C@H]1CCN(Cc2c([O-])nnn2-c2ccccc2)C1 ZINC000740645193 601913321 /nfs/dbraw/zinc/91/33/21/601913321.db2.gz WYVLJAZLAHBRLG-LLVKDONJSA-N -2 0 317.349 1.062 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)cn1 ZINC000830424324 602117283 /nfs/dbraw/zinc/11/72/83/602117283.db2.gz QBNXMGQHEPHHEF-UHFFFAOYSA-N -2 0 301.349 1.464 20 0 DDADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000827304525 602178066 /nfs/dbraw/zinc/17/80/66/602178066.db2.gz WXUPQZQOQPPHFC-RXMQYKEDSA-N -2 0 311.768 1.317 20 0 DDADRL CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-])cc1 ZINC000830094604 602178136 /nfs/dbraw/zinc/17/81/36/602178136.db2.gz QHKPEZVWHUNNLQ-SECBINFHSA-N -2 0 315.347 1.001 20 0 DDADRL O=C([O-])Nc1cc2ccccc2cc1C(=O)NCc1nnn[n-]1 ZINC000740694457 602450088 /nfs/dbraw/zinc/45/00/88/602450088.db2.gz DOZAAIMGUBZASC-UHFFFAOYSA-N -2 0 312.289 1.373 20 0 DDADRL CN(C(=O)[O-])C1CCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000737938548 602531533 /nfs/dbraw/zinc/53/15/33/602531533.db2.gz ZQGCRHZADPBTEF-UHFFFAOYSA-N -2 0 322.390 1.971 20 0 DDADRL CCN(CCNC(=O)c1cc(NC(C)=O)ccc1O)C(=O)[O-] ZINC000739436147 602572996 /nfs/dbraw/zinc/57/29/96/602572996.db2.gz ZONCBEIJSHYMPG-UHFFFAOYSA-N -2 0 309.322 1.080 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000736896116 602748089 /nfs/dbraw/zinc/74/80/89/602748089.db2.gz XLXRBVPAATWVRO-NSHDSACASA-N -2 0 322.427 1.551 20 0 DDADRL C[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)C[C@H](C)N1C(=O)[O-] ZINC000739185798 602838950 /nfs/dbraw/zinc/83/89/50/602838950.db2.gz DUWZNQNEXKEDFK-DTORHVGOSA-N -2 0 322.390 1.970 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000826571477 603446467 /nfs/dbraw/zinc/44/64/67/603446467.db2.gz IVRSSJTYQFGPKO-WDEREUQCSA-N -2 0 320.411 1.305 20 0 DDADRL CC(C)(CNC(=O)CSc1n[n-]c(=S)s1)NC(=O)[O-] ZINC000823911984 603500871 /nfs/dbraw/zinc/50/08/71/603500871.db2.gz DFWWQXPBLRSITP-UHFFFAOYSA-N -2 0 322.437 1.081 20 0 DDADRL C[C@H](CNC(=O)[O-])N(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000824968092 603779147 /nfs/dbraw/zinc/77/91/47/603779147.db2.gz YSEOXONJAVTGBD-SSDOTTSWSA-N -2 0 309.347 1.845 20 0 DDADRL CC(C)C[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000824210264 604124732 /nfs/dbraw/zinc/12/47/32/604124732.db2.gz DVHLXIXRPONGEL-JTQLQIEISA-N -2 0 306.384 1.057 20 0 DDADRL CC(C)(C)CS(=O)(=O)[N-]C(=O)CC1(NC(=O)[O-])CCC1 ZINC000823766775 604256622 /nfs/dbraw/zinc/25/66/22/604256622.db2.gz VMRYTGNWURBJNW-UHFFFAOYSA-N -2 0 306.384 1.059 20 0 DDADRL CC(C)c1[n-]n(C)c(=O)c1C(=O)Nc1ccccc1C(=O)[O-] ZINC000833472023 604624454 /nfs/dbraw/zinc/62/44/54/604624454.db2.gz QTCOCCLICOJAIR-NSHDSACASA-N -2 0 303.318 1.424 20 0 DDADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)n[nH]1 ZINC000833450169 605183106 /nfs/dbraw/zinc/18/31/06/605183106.db2.gz IGRCYHIYLCLTQU-UHFFFAOYSA-N -2 0 313.335 1.799 20 0 DDADRL CC(C)(C)CCC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000823765904 605278631 /nfs/dbraw/zinc/27/86/31/605278631.db2.gz CYLNDCKRVKODTQ-VIFPVBQESA-N -2 0 306.384 1.011 20 0 DDADRL O=C([O-])N[C@H]1CCC[C@@H]1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000834174979 605308390 /nfs/dbraw/zinc/30/83/90/605308390.db2.gz YLKBCIXCPXYFEW-STQMWFEESA-N -2 0 320.345 1.480 20 0 DDADRL C[C@@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833608986 605483326 /nfs/dbraw/zinc/48/33/26/605483326.db2.gz PEDZEFWRQNXVKU-SFYZADRCSA-N -2 0 317.388 1.687 20 0 DDADRL CC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000833637585 605679942 /nfs/dbraw/zinc/67/99/42/605679942.db2.gz FXFMLHYQWACRTD-NXEZZACHSA-N -2 0 313.375 1.872 20 0 DDADRL O=C([O-])Nc1ccc(CC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000834257368 606031156 /nfs/dbraw/zinc/03/11/56/606031156.db2.gz YDCZQCRIXXSYRK-UHFFFAOYSA-N -2 0 306.318 1.642 20 0 DDADRL O=C([O-])C[C@@H](NC(=O)[C@H]1CCN(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000834060899 606031828 /nfs/dbraw/zinc/03/18/28/606031828.db2.gz MIURRVJMUREYOP-CMPLNLGQSA-N -2 0 324.308 1.458 20 0 DDADRL C[C@H](CN(Cc1ccccc1)C(=O)C[C@H](C)NC(=O)[O-])C(=O)[O-] ZINC000833800656 606046339 /nfs/dbraw/zinc/04/63/39/606046339.db2.gz PKMQNHMHFCMDCR-NEPJUHHUSA-N -2 0 322.361 1.782 20 0 DDADRL CCN(CCC(=O)[O-])C(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000833857368 606046832 /nfs/dbraw/zinc/04/68/32/606046832.db2.gz JGDKTSSVIOSZGD-VXGBXAGGSA-N -2 0 314.382 1.916 20 0 DDADRL O=C([O-])CN(Cc1ccccc1)C(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000834065591 606048286 /nfs/dbraw/zinc/04/82/86/606048286.db2.gz NFVYRYTZULNVNG-ZDUSSCGKSA-N -2 0 320.345 1.632 20 0 DDADRL O=C([O-])CN(C(=O)c1cccc(NC(=O)[O-])c1)C1CCOCC1 ZINC000834066198 606052060 /nfs/dbraw/zinc/05/20/60/606052060.db2.gz QMOCRRKOLIWENA-UHFFFAOYSA-N -2 0 322.317 1.482 20 0 DDADRL O=C([O-])Cn1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2)n1 ZINC000834069659 606058851 /nfs/dbraw/zinc/05/88/51/606058851.db2.gz WAHOSMWOYKIHSV-UHFFFAOYSA-N -2 0 304.262 1.310 20 0 DDADRL O=C([O-])Nc1ccc(CC(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC000834256845 606064552 /nfs/dbraw/zinc/06/45/52/606064552.db2.gz UZGLKQIIBSRZIV-UHFFFAOYSA-N -2 0 306.318 1.690 20 0 DDADRL O=C([O-])CCCOc1ccc(NC(=O)C2(NC(=O)[O-])CC2)cc1 ZINC000834060317 606066124 /nfs/dbraw/zinc/06/61/24/606066124.db2.gz PGQCTSWZLXFQFR-UHFFFAOYSA-N -2 0 322.317 1.669 20 0 DDADRL CCC1CCC(NC(=O)[C@H]2CCN(C(=O)[O-])C2)(C(=O)[O-])CC1 ZINC000833847870 606066294 /nfs/dbraw/zinc/06/62/94/606066294.db2.gz ZTQASBLSJDMXAZ-VTWZXRTESA-N -2 0 312.366 1.526 20 0 DDADRL CCNC(=O)[N-][N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000064940156 696343037 /nfs/dbraw/zinc/34/30/37/696343037.db2.gz PXWKSQQAMAXNEE-UHFFFAOYSA-N -2 0 318.207 1.567 20 0 DDADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnoc2)c1F ZINC000749141663 700148563 /nfs/dbraw/zinc/14/85/63/700148563.db2.gz HXHLCODBMVGVSA-UHFFFAOYSA-N -2 0 300.267 1.621 20 0 DDADRL CC(C)(CC(=O)[N-]S(=O)(=O)C1CCCCC1)NC(=O)[O-] ZINC000738734640 699765626 /nfs/dbraw/zinc/76/56/26/699765626.db2.gz HGRJJQSZPYLALC-UHFFFAOYSA-N -2 0 306.384 1.201 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2COC3=O)c[nH]1 ZINC000808126688 701499764 /nfs/dbraw/zinc/49/97/64/701499764.db2.gz DHZKNHKAJZPMFB-UHFFFAOYSA-N -2 0 322.298 1.184 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1csc(-c2cccs2)n1 ZINC000816734255 702168969 /nfs/dbraw/zinc/16/89/69/702168969.db2.gz GRNYPAFTNRVEGO-UHFFFAOYSA-N -2 0 309.332 1.258 20 0 DDADRL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)c1 ZINC000863952304 706045004 /nfs/dbraw/zinc/04/50/04/706045004.db2.gz RFXWJROQMFSJJX-UHFFFAOYSA-N -2 0 311.359 1.363 20 0 DDADRL O=C([N-]OC/C=C\Cl)C(F)(F)C(=O)[N-]OC/C=C\Cl ZINC000865998841 706589782 /nfs/dbraw/zinc/58/97/82/706589782.db2.gz CTLUFOMEUWFORJ-CCAGOZQPSA-N -2 0 319.091 1.222 20 0 DDADRL C[C@@H](CN(C)C(=O)c1c(O)cnc2c(F)cccc21)C(=O)[O-] ZINC000909150095 712947451 /nfs/dbraw/zinc/94/74/51/712947451.db2.gz UJNNXLOYCWKUFP-QMMMGPOBSA-N -2 0 306.293 1.872 20 0 DDADRL O=C([O-])Cc1ccc(-n2[n-]c(C3CCOCC3)cc2=O)cc1 ZINC000899356800 709066466 /nfs/dbraw/zinc/06/64/66/709066466.db2.gz TXPIWGLWWWXXNJ-UHFFFAOYSA-N -2 0 302.330 1.833 20 0 DDADRL Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1C ZINC000910185845 709801921 /nfs/dbraw/zinc/80/19/21/709801921.db2.gz LOKMMAOSXIBYED-CHWSQXEVSA-N -2 0 305.330 1.693 20 0 DDADRL COCCN(CCC(=O)[O-])c1ncc(C(=O)[O-])cc1Cl ZINC000900978975 709859504 /nfs/dbraw/zinc/85/95/04/709859504.db2.gz VLGINEKPEOEUHJ-UHFFFAOYSA-N -2 0 302.714 1.361 20 0 DDADRL C[C@@]1(C(=O)[O-])CN(C(=O)c2cc(F)c([O-])c(Cl)c2)CCO1 ZINC000910328394 709894377 /nfs/dbraw/zinc/89/43/77/709894377.db2.gz NGFJDZRGOTZUSF-ZDUSSCGKSA-N -2 0 317.700 1.500 20 0 DDADRL COCCOCc1cc(=O)n(-c2ccc(C(=O)[O-])c(F)c2)[n-]1 ZINC000905020306 711911355 /nfs/dbraw/zinc/91/13/55/711911355.db2.gz GKFBNZSOPOYRDJ-UHFFFAOYSA-N -2 0 310.281 1.280 20 0 DDADRL CC[C@@H](C)[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC000916110347 713442738 /nfs/dbraw/zinc/44/27/38/713442738.db2.gz XHFJSDAUIWHYSC-KCJUWKMLSA-N -2 0 315.347 1.162 20 0 DDADRL CC(=O)c1ccc(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])cc1O ZINC000923149940 714255625 /nfs/dbraw/zinc/25/56/25/714255625.db2.gz RZPAWBDPEUKQFA-BZNIZROVSA-N -2 0 303.314 1.674 20 0 DDADRL O=C(c1cc(F)cc(F)c1[O-])N1CCC[C@H](c2nnn[n-]2)C1 ZINC000935036569 714960876 /nfs/dbraw/zinc/96/08/76/714960876.db2.gz DMMMNXRKHBGDEF-ZETCQYMHSA-N -2 0 309.276 1.203 20 0 DDADRL CC(C)[C@H](C(=O)NCCOP(=O)([O-])[O-])c1ccccc1 ZINC001183577674 743862556 /nfs/dbraw/zinc/86/25/56/743862556.db2.gz FJMHXRXKOJKNCG-LBPRGKRZSA-N -2 0 301.279 1.652 20 0 DDADRL O=S(=O)([O-])c1cccc([N-]S(=O)(=O)c2nccs2)c1 ZINC001187891835 744633999 /nfs/dbraw/zinc/63/39/99/744633999.db2.gz QDFYBZXBRQZJOA-UHFFFAOYSA-N -2 0 320.373 1.191 20 0 DDADRL O=S(=O)([O-])c1ccc(NS(=O)(=O)c2ccncc2)cc1 ZINC001190894158 745370537 /nfs/dbraw/zinc/37/05/37/745370537.db2.gz WCJHJKSIYGRAGX-UHFFFAOYSA-N -2 0 314.344 1.129 20 0 DDADRL Cc1cc(C)cc(NC(=S)NCCOP(=O)([O-])[O-])c1 ZINC001201212825 748436131 /nfs/dbraw/zinc/43/61/31/748436131.db2.gz PPTYGJGPMVZAKL-UHFFFAOYSA-N -2 0 304.308 1.699 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cncc(N)c1 ZINC001174981327 777659632 /nfs/dbraw/zinc/65/96/32/777659632.db2.gz AQYGMXMYLJZYQF-UHFFFAOYSA-N -2 0 307.331 1.471 20 0 DDADRL O=C([O-])c1cc(Nc2ccnn2C2COC2)cc(C(=O)[O-])c1 ZINC001176237061 778087767 /nfs/dbraw/zinc/08/77/67/778087767.db2.gz FIJHIAVMRMHBCD-UHFFFAOYSA-N -2 0 303.274 1.594 20 0 DDADRL COCCn1cnc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176238054 778089291 /nfs/dbraw/zinc/08/92/91/778089291.db2.gz MEORVNVZQZZCQO-UHFFFAOYSA-N -2 0 305.290 1.670 20 0 DDADRL NC(=O)c1ccncc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176239021 778089722 /nfs/dbraw/zinc/08/97/22/778089722.db2.gz NQHFFQUOMYDMIY-UHFFFAOYSA-N -2 0 301.258 1.321 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1ccc2ccccc2c1F ZINC001154299130 860963863 /nfs/dbraw/zinc/96/38/63/860963863.db2.gz VTBQAAOTYAGFJU-UHFFFAOYSA-N -2 0 313.221 1.818 20 0 DDADRL CC1CCN(c2ccc(NCCOP(=O)([O-])[O-])nn2)CC1 ZINC001157795804 864149307 /nfs/dbraw/zinc/14/93/07/864149307.db2.gz LSPUWCODDAYYLR-UHFFFAOYSA-N -2 0 316.298 1.234 20 0 DDADRL C[C@H]1CCCN(c2cc(NCCOP(=O)([O-])[O-])ncn2)C1 ZINC001157795622 864149696 /nfs/dbraw/zinc/14/96/96/864149696.db2.gz HWBPWLMWZPTYLV-JTQLQIEISA-N -2 0 316.298 1.234 20 0 DDADRL CC(C)(C)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001225257756 881746926 /nfs/dbraw/zinc/74/69/26/881746926.db2.gz QKNOLLKEIGWQCB-YPMHNXCESA-N -2 0 324.329 1.426 20 0 DDADRL CCCCOC[C@@H](C)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21 ZINC001226888327 882703377 /nfs/dbraw/zinc/70/33/77/882703377.db2.gz OVJNSPRLGCHQQG-SSDOTTSWSA-N -2 0 310.310 1.121 20 0 DDADRL CC[C@H](C)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001227331501 882972619 /nfs/dbraw/zinc/97/26/19/882972619.db2.gz ZPNSPWFXFSKWHV-BHYNMZESSA-N -2 0 324.329 1.642 20 0 DDADRL O=C([O-])C[C@H](C(=O)OCc1cc2ccccc2o1)[C@H](O)C(=O)[O-] ZINC001223640164 881037325 /nfs/dbraw/zinc/03/73/25/881037325.db2.gz IWBSSMSQJJUIMJ-GWCFXTLKSA-N -2 0 322.269 1.012 20 0 DDADRL O=C(NCc1nc(=O)o[n-]1)c1cc(Cl)cc(Cl)c1[O-] ZINC001362682335 884404911 /nfs/dbraw/zinc/40/49/11/884404911.db2.gz KNEYAUFKUVRATR-UHFFFAOYSA-N -2 0 304.089 1.305 20 0 DDADRL O=C([O-])c1cc(-c2ccc3c(c2)C(=O)[N-]S3(=O)=O)ccc1F ZINC001241245721 891137511 /nfs/dbraw/zinc/13/75/11/891137511.db2.gz XDAOLGUQLUIRPV-UHFFFAOYSA-N -2 0 321.285 1.623 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3c(c2)CNC(=O)C3)c1 ZINC001242161644 891356656 /nfs/dbraw/zinc/35/66/56/891356656.db2.gz FWSRPLSMNCWDAR-UHFFFAOYSA-N -2 0 311.293 1.922 20 0 DDADRL CN(C)C(=O)c1cccc(-c2ccc(P(=O)([O-])[O-])cc2)c1F ZINC001244769120 891915352 /nfs/dbraw/zinc/91/53/52/891915352.db2.gz IRZGBAXRVLULMJ-UHFFFAOYSA-N -2 0 323.260 1.998 20 0 DDADRL COc1ccncc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260183248 899076239 /nfs/dbraw/zinc/07/62/39/899076239.db2.gz GHYODOWCDKZKCM-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL CN(C)c1nccnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260221894 899096010 /nfs/dbraw/zinc/09/60/10/899096010.db2.gz ZAGYUIIAXDDSOD-UHFFFAOYSA-N -2 0 322.346 1.042 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)nc(C)n1 ZINC001260391425 899132873 /nfs/dbraw/zinc/13/28/73/899132873.db2.gz ICSSYRZKGIIUBD-UHFFFAOYSA-N -2 0 323.330 1.298 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncs2)ccc1O ZINC001260392477 899132913 /nfs/dbraw/zinc/13/29/13/899132913.db2.gz AWXWPXCACYFQHN-UHFFFAOYSA-N -2 0 300.317 1.348 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000092890177 185348094 /nfs/dbraw/zinc/34/80/94/185348094.db2.gz UBMQOYSLZCUMOE-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL O=C([O-])CN(CCc1ccccc1)C(=O)N=c1[n-]ncs1 ZINC000563832261 303976990 /nfs/dbraw/zinc/97/69/90/303976990.db2.gz FUZGABBYSYMEDM-UHFFFAOYSA-N -2 0 306.347 1.121 20 0 DDADRL CN(CCCC(=O)[O-])C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000417791258 529879630 /nfs/dbraw/zinc/87/96/30/529879630.db2.gz NNFGHRMDCCYGBT-UHFFFAOYSA-N -2 0 306.244 1.246 20 0 DDADRL COC(=O)c1[n-]c(=Nc2cnn(C(C)(C)C(=O)[O-])c2)sc1C ZINC000595975316 356732739 /nfs/dbraw/zinc/73/27/39/356732739.db2.gz AVKLDELWJMHVPL-UHFFFAOYSA-N -2 0 324.362 1.420 20 0 DDADRL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000285084193 218284166 /nfs/dbraw/zinc/28/41/66/218284166.db2.gz LGYZYHQBBPQVOS-JTQLQIEISA-N -2 0 323.292 1.636 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC000037642022 406991885 /nfs/dbraw/zinc/99/18/85/406991885.db2.gz APYHVWNYPFDOMO-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000091021348 407174395 /nfs/dbraw/zinc/17/43/95/407174395.db2.gz ADVRUYJSKLTMNL-UHFFFAOYSA-N -2 0 315.376 1.543 20 0 DDADRL CC(C)(CCC(=O)[O-])NS(=O)(=O)c1cccc(F)c1F ZINC000261725796 407593088 /nfs/dbraw/zinc/59/30/88/407593088.db2.gz RQQZFXQQBVQFTG-UHFFFAOYSA-N -2 0 307.318 1.887 20 0 DDADRL O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)[C@H]1CCCOC1 ZINC000274955159 408574408 /nfs/dbraw/zinc/57/44/08/408574408.db2.gz UDJJUTJDNZPSEN-ZETCQYMHSA-N -2 0 321.301 1.584 20 0 DDADRL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000164849005 408804254 /nfs/dbraw/zinc/80/42/54/408804254.db2.gz VFQBYHRSWTVIRQ-MFKMUULPSA-N -2 0 319.329 1.887 20 0 DDADRL CON(CC(C)(C)C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000286688841 408997431 /nfs/dbraw/zinc/99/74/31/408997431.db2.gz ZXUQAZBSIMYISI-UHFFFAOYSA-N -2 0 320.349 1.794 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2cc(C3CC3)n(C)n2)cc1C(=O)[O-] ZINC000290590965 409455241 /nfs/dbraw/zinc/45/52/41/409455241.db2.gz XHYGNEYKQJXSMO-UHFFFAOYSA-N -2 0 324.362 1.135 20 0 DDADRL CN(CCCC(=O)[O-])C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000357116254 409885294 /nfs/dbraw/zinc/88/52/94/409885294.db2.gz BMYSNJODVMBFOV-UHFFFAOYSA-N -2 0 303.318 1.515 20 0 DDADRL O=C([O-])c1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])nc1 ZINC000647730773 423017664 /nfs/dbraw/zinc/01/76/64/423017664.db2.gz PGEYFLSNIDVHFM-BIMULSAOSA-N -2 0 318.329 1.638 20 0 DDADRL CCCCc1ccc(C(=O)N=c2ncn(CC(=O)[O-])[n-]2)cc1 ZINC000647782422 423047598 /nfs/dbraw/zinc/04/75/98/423047598.db2.gz MBPVJDLMHLLTDT-UHFFFAOYSA-N -2 0 302.334 1.380 20 0 DDADRL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2ncc[nH]2)c1 ZINC000647923702 423119031 /nfs/dbraw/zinc/11/90/31/423119031.db2.gz CZGQOSSCMBAJJR-UHFFFAOYSA-N -2 0 323.330 1.258 20 0 DDADRL Cn1nncc1S(=O)(=O)[N-]c1ccc(CCCC(=O)[O-])cc1 ZINC000650390561 423146337 /nfs/dbraw/zinc/14/63/37/423146337.db2.gz DUILVLJZHYJRKT-UHFFFAOYSA-N -2 0 324.362 1.023 20 0 DDADRL C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(C(=O)[O-])n(-c2ccccc2)n1 ZINC000436058820 420304761 /nfs/dbraw/zinc/30/47/61/420304761.db2.gz ZRUZLASYKMVYFW-VIFPVBQESA-N -2 0 317.301 1.116 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C ZINC000547558336 421343052 /nfs/dbraw/zinc/34/30/52/421343052.db2.gz XAYWYYFLSXFBFR-HTQZYQBOSA-N -2 0 319.345 1.994 20 0 DDADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C1(C(=O)[O-])CCC1 ZINC000571526184 421724280 /nfs/dbraw/zinc/72/42/80/421724280.db2.gz NELLXRMSDHOHNV-UHFFFAOYSA-N -2 0 321.358 1.610 20 0 DDADRL CC(C)C[C@H](CNC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC000572638244 421807930 /nfs/dbraw/zinc/80/79/30/421807930.db2.gz WVNMELAQDRSSGH-IJLUTSLNSA-N -2 0 314.382 1.486 20 0 DDADRL CC(C)C[C@H](CNC(=O)c1cccc(OCC(=O)[O-])c1)C(=O)[O-] ZINC000656857944 423810051 /nfs/dbraw/zinc/81/00/51/423810051.db2.gz NQXFOAFXXYWXBV-GFCCVEGCSA-N -2 0 323.345 1.627 20 0 DDADRL C[C@H](NC(=O)NCCCCC(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655879284 424689943 /nfs/dbraw/zinc/68/99/43/424689943.db2.gz MTWVJGSPWLALEH-GARJFASQSA-N -2 0 314.382 1.676 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC000263540213 280291330 /nfs/dbraw/zinc/29/13/30/280291330.db2.gz CFENEIVSTKPMCP-APPZFPTMSA-N -2 0 324.299 1.154 20 0 DDADRL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC000369060921 307115217 /nfs/dbraw/zinc/11/52/17/307115217.db2.gz BXZDWXHLZFFHOG-UHFFFAOYSA-N -2 0 320.334 1.010 20 0 DDADRL O=C([O-])[C@@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000663022585 484606917 /nfs/dbraw/zinc/60/69/17/484606917.db2.gz LGEBTDCJOUKXAA-NSHDSACASA-N -2 0 319.292 1.406 20 0 DDADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663038339 484617043 /nfs/dbraw/zinc/61/70/43/484617043.db2.gz NSANPKWBISISNB-JTQLQIEISA-N -2 0 321.358 1.466 20 0 DDADRL O=C([O-])COc1ccc(C(=O)N2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000663118953 484683278 /nfs/dbraw/zinc/68/32/78/484683278.db2.gz IRDVRJRNQZYKFK-LBPRGKRZSA-N -2 0 321.329 1.619 20 0 DDADRL CCN(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])[C@H](C)C(=O)[O-] ZINC000663125819 484688101 /nfs/dbraw/zinc/68/81/01/484688101.db2.gz RYDXSZWDNPHWFV-SECBINFHSA-N -2 0 321.308 1.652 20 0 DDADRL O=C([O-])CCCCC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000663149833 484705469 /nfs/dbraw/zinc/70/54/69/484705469.db2.gz ZYGLOLKGUWYUEJ-HNNXBMFYSA-N -2 0 305.330 1.842 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)o1 ZINC000020593447 599734432 /nfs/dbraw/zinc/73/44/32/599734432.db2.gz CXYRVLDIXNURBR-UHFFFAOYSA-N -2 0 311.271 1.507 20 0 DDADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)n1 ZINC000739920348 599739716 /nfs/dbraw/zinc/73/97/16/599739716.db2.gz MHUHGTYSHRMOBY-UHFFFAOYSA-N -2 0 317.273 1.047 20 0 DDADRL Cc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c(C)s1 ZINC000738332126 600464213 /nfs/dbraw/zinc/46/42/13/600464213.db2.gz HETYPWQZGNOGJT-UHFFFAOYSA-N -2 0 305.377 1.289 20 0 DDADRL CCOc1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])cc1 ZINC000316333648 600513748 /nfs/dbraw/zinc/51/37/48/600513748.db2.gz ZIHALHKVNXRVPU-UHFFFAOYSA-N -2 0 322.342 1.979 20 0 DDADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c(C)c1 ZINC000386772566 600528998 /nfs/dbraw/zinc/52/89/98/600528998.db2.gz ATRWTFIPPFJRIT-UHFFFAOYSA-N -2 0 323.374 1.694 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)nnc1C ZINC000738241086 600576787 /nfs/dbraw/zinc/57/67/87/600576787.db2.gz TVOWSZAECFGFMH-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)cc1C(=O)[O-] ZINC000315400536 600810613 /nfs/dbraw/zinc/81/06/13/600810613.db2.gz GHLTXMHPPDYSIU-UHFFFAOYSA-N -2 0 320.330 1.400 20 0 DDADRL C[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1cccc(F)c1 ZINC000826008228 600946893 /nfs/dbraw/zinc/94/68/93/600946893.db2.gz GSBWAAYGLYDRNQ-VIFPVBQESA-N -2 0 317.338 1.240 20 0 DDADRL C[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])C1CC1 ZINC000826008192 601206650 /nfs/dbraw/zinc/20/66/50/601206650.db2.gz GGWNOFRMYAGYQB-LURJTMIESA-N -2 0 303.361 1.297 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000833178164 601365039 /nfs/dbraw/zinc/36/50/39/601365039.db2.gz BOIRUMXJDAYWCK-DTWKUNHWSA-N -2 0 317.750 1.007 20 0 DDADRL C[C@@H](CS(=O)(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)C(=O)[O-] ZINC000827570675 601614184 /nfs/dbraw/zinc/61/41/84/601614184.db2.gz FQWQSVVXTNXEOB-LURJTMIESA-N -2 0 321.738 1.501 20 0 DDADRL CC[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)[O-] ZINC000828982971 601761684 /nfs/dbraw/zinc/76/16/84/601761684.db2.gz LGPPBMGCIHFJSJ-JTQLQIEISA-N -2 0 307.281 1.310 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=NC[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000740105195 601917490 /nfs/dbraw/zinc/91/74/90/601917490.db2.gz GKIJUCBHMXZLTG-LBPRGKRZSA-N -2 0 316.365 1.195 20 0 DDADRL CC(C)c1nc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])c[nH]1 ZINC000827153743 602155258 /nfs/dbraw/zinc/15/52/58/602155258.db2.gz XZKAVMXSZWQJTK-UHFFFAOYSA-N -2 0 316.364 1.489 20 0 DDADRL CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[nH]n1 ZINC000826909545 602305810 /nfs/dbraw/zinc/30/58/10/602305810.db2.gz CIYJHZHATYKSLS-UHFFFAOYSA-N -2 0 313.335 1.700 20 0 DDADRL Cc1cc([N-]C(=O)c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)no1 ZINC000740091554 602410576 /nfs/dbraw/zinc/41/05/76/602410576.db2.gz QOLQBSXLMKQPLA-MRVPVSSYSA-N -2 0 323.309 1.973 20 0 DDADRL CCN(CC(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1)C(=O)[O-] ZINC000739395576 602865125 /nfs/dbraw/zinc/86/51/25/602865125.db2.gz VTYKMNOTWKFZRG-UHFFFAOYSA-N -2 0 314.363 1.108 20 0 DDADRL C[C@@H]1CN(C(=O)c2n[n-]c3ccccc3c2=O)CCN1C(=O)[O-] ZINC000739171009 602924627 /nfs/dbraw/zinc/92/46/27/602924627.db2.gz GDNQNZOVIMGEMJ-SECBINFHSA-N -2 0 316.317 1.160 20 0 DDADRL O=C([O-])NC[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)C1CC1 ZINC000832426772 603833511 /nfs/dbraw/zinc/83/35/11/603833511.db2.gz BPPYLFBQHYIBJM-JTQLQIEISA-N -2 0 321.358 1.893 20 0 DDADRL O=C([O-])Nc1cccc(NC(=O)C(=O)[N-]OCC(F)(F)F)c1 ZINC000833287803 604425214 /nfs/dbraw/zinc/42/52/14/604425214.db2.gz IDTJAQVXPFYGHJ-UHFFFAOYSA-N -2 0 321.211 1.325 20 0 DDADRL O=C([O-])C[C@@H]1CCCN1C(=O)CSc1n[n-]c(=S)s1 ZINC000833208066 604752637 /nfs/dbraw/zinc/75/26/37/604752637.db2.gz UUSXRVPEZNFVIC-LURJTMIESA-N -2 0 319.433 1.385 20 0 DDADRL CS/C=C\C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000832747652 604937456 /nfs/dbraw/zinc/93/74/56/604937456.db2.gz GMDNUKHVKAEKQO-PLNGDYQASA-N -2 0 307.374 1.128 20 0 DDADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nocc1C ZINC000832208616 605013687 /nfs/dbraw/zinc/01/36/87/605013687.db2.gz IVWHKLAXRGVMMT-UHFFFAOYSA-N -2 0 312.303 1.491 20 0 DDADRL COc1ccccc1[C@H](NC(=O)[O-])C(=O)[N-]OCC(F)(F)F ZINC000829611971 605137962 /nfs/dbraw/zinc/13/79/62/605137962.db2.gz YVFUKLINJCZTGA-VIFPVBQESA-N -2 0 322.239 1.614 20 0 DDADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)ncn1 ZINC000833729825 605266949 /nfs/dbraw/zinc/26/69/49/605266949.db2.gz QEQCTRUZDDRGTQ-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])cc1 ZINC000834246592 605308569 /nfs/dbraw/zinc/30/85/69/605308569.db2.gz PCKOGBCLCCCACA-LBPRGKRZSA-N -2 0 306.318 1.437 20 0 DDADRL O=C([O-])N1CC[C@@H](NC(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000831590064 605587872 /nfs/dbraw/zinc/58/78/72/605587872.db2.gz ASXCMVARVCBWTA-SSDOTTSWSA-N -2 0 302.689 1.667 20 0 DDADRL CN(CCCC(=O)[O-])C(=O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000833872803 606032751 /nfs/dbraw/zinc/03/27/51/606032751.db2.gz OGXOGVIOHNXFIF-LBPRGKRZSA-N -2 0 308.334 1.189 20 0 DDADRL O=C([O-])[C@@H](NC(=O)[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000834017400 606048318 /nfs/dbraw/zinc/04/83/18/606048318.db2.gz ZZVQHFJCSIQOOV-RYUDHWBXSA-N -2 0 306.318 1.319 20 0 DDADRL O=C([O-])N1CC(CC(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)C1 ZINC000833988353 606049827 /nfs/dbraw/zinc/04/98/27/606049827.db2.gz SIXYNCXYGHCDJG-MRXNPFEDSA-N -2 0 318.329 1.029 20 0 DDADRL O=C([O-])CCCCCCNC(=O)[C@@H]1CSCN1C(=O)[O-] ZINC000834060937 606056604 /nfs/dbraw/zinc/05/66/04/606056604.db2.gz YGCURMLFQPXXLC-VIFPVBQESA-N -2 0 304.368 1.191 20 0 DDADRL O=C([O-])NC1(CC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)CCC1 ZINC000834155634 606068544 /nfs/dbraw/zinc/06/85/44/606068544.db2.gz PGUZMHVFNGEHKX-GFCCVEGCSA-N -2 0 324.308 1.648 20 0 DDADRL COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000833882421 606069090 /nfs/dbraw/zinc/06/90/90/606069090.db2.gz NKMQWUASBXSOHA-CQSZACIVSA-N -2 0 310.306 1.386 20 0 DDADRL Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)c1 ZINC000776425979 698105794 /nfs/dbraw/zinc/10/57/94/698105794.db2.gz FUNWDYHDTGCXTO-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL Cc1oc(C)c(S(=O)(=O)N[C@H](C)C(F)(F)F)c1C(=O)[O-] ZINC000389207517 699087898 /nfs/dbraw/zinc/08/78/98/699087898.db2.gz HFZFCLAKJCFFAC-ZCFIWIBFSA-N -2 0 315.269 1.824 20 0 DDADRL Cn1ccc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)n1 ZINC000743262689 699904945 /nfs/dbraw/zinc/90/49/45/699904945.db2.gz XVIAIGJGGCIHSB-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)nn1C ZINC000817352761 702348943 /nfs/dbraw/zinc/34/89/43/702348943.db2.gz MCNMCYPNTGUKQQ-UHFFFAOYSA-N -2 0 315.376 1.543 20 0 DDADRL Cc1cc(NC(=O)C(=O)[N-]O[C@@H]2CCCCO2)ccc1C(=O)[O-] ZINC000817882014 702508365 /nfs/dbraw/zinc/50/83/65/702508365.db2.gz UXPNTKQRJIYVGD-GFCCVEGCSA-N -2 0 322.317 1.206 20 0 DDADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000863952502 706045025 /nfs/dbraw/zinc/04/50/25/706045025.db2.gz ZBGXSTKIJDRBFE-NSHDSACASA-N -2 0 303.361 1.054 20 0 DDADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)CC1CCCCC1)C1CC1 ZINC000863954336 706045424 /nfs/dbraw/zinc/04/54/24/706045424.db2.gz WDHBQELWGSGCJD-LLVKDONJSA-N -2 0 303.380 1.124 20 0 DDADRL CCC1(S(=O)(=O)[N-]C(=O)c2cc(C)cc(C(=O)[O-])c2)CC1 ZINC000863963995 706047274 /nfs/dbraw/zinc/04/72/74/706047274.db2.gz LKIFZGJPFNCYCM-UHFFFAOYSA-N -2 0 311.359 1.695 20 0 DDADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC=CC1 ZINC000863964654 706047898 /nfs/dbraw/zinc/04/78/98/706047898.db2.gz YXNCLFQPSXVMNI-VWYCJHECSA-N -2 0 313.375 1.042 20 0 DDADRL COc1cc(C(=O)[O-])ccc1-n1[n-]c(C(F)(F)F)c(F)c1=O ZINC000871955850 707254524 /nfs/dbraw/zinc/25/45/24/707254524.db2.gz UAHDEQNQCIYCHG-MRVPVSSYSA-N -2 0 320.198 1.996 20 0 DDADRL Cc1ccccc1[C@H](C)C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910180962 709800230 /nfs/dbraw/zinc/80/02/30/709800230.db2.gz AKCIWJAUNBNTLV-OBJOEFQTSA-N -2 0 319.357 1.875 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc(C3CC3)c2)C1 ZINC000910181969 709800282 /nfs/dbraw/zinc/80/02/82/709800282.db2.gz GAGQYAKAPUMMOT-KGLIPLIRSA-N -2 0 317.341 1.954 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]2CCC=CCCC2)C1 ZINC000910183743 709800779 /nfs/dbraw/zinc/80/07/79/709800779.db2.gz OCVZLJXLONFEMV-UPJWGTAASA-N -2 0 309.362 1.899 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(C3CC3)cc2)C1 ZINC000910185084 709801429 /nfs/dbraw/zinc/80/14/29/709801429.db2.gz YKRQZUJHIOOBSV-KBPBESRZSA-N -2 0 317.341 1.954 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)CCC3)C1 ZINC000910190621 709804985 /nfs/dbraw/zinc/80/49/85/709804985.db2.gz AOGFBIJEEHYYLZ-ZIAGYGMSSA-N -2 0 317.341 1.565 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2Cc3ccccc32)C1 ZINC000910192451 709805511 /nfs/dbraw/zinc/80/55/11/709805511.db2.gz QJERJRAMEONPOE-RAIGVLPGSA-N -2 0 303.314 1.103 20 0 DDADRL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)CC2(F)CC2)c1F ZINC000905985451 712210017 /nfs/dbraw/zinc/21/00/17/712210017.db2.gz AAEDONBLKAPHFT-UHFFFAOYSA-N -2 0 309.265 1.907 20 0 DDADRL O=C([O-])[C@]1(C(=O)[N-]O[C@@H]2CCCCO2)C[C@H]1c1ccccc1 ZINC000907852496 712635908 /nfs/dbraw/zinc/63/59/08/712635908.db2.gz YJMPJTHFUVFFJB-WOSRLPQWSA-N -2 0 305.330 1.819 20 0 DDADRL O=C(Nc1nc[n-]c(=O)c1Br)c1ccncc1[O-] ZINC001188628995 744741571 /nfs/dbraw/zinc/74/15/71/744741571.db2.gz STHJLANYEAFUEG-UHFFFAOYSA-N -2 0 311.095 1.298 20 0 DDADRL COc1cc([N-]S(=O)(=O)c2cncc(N)c2)cc(C(=O)[O-])c1 ZINC001213589234 734506979 /nfs/dbraw/zinc/50/69/79/734506979.db2.gz VPRSKNCUQDVGAN-UHFFFAOYSA-N -2 0 323.330 1.171 20 0 DDADRL Cc1cccc(Cl)c1NC(=O)NCCOP(=O)([O-])[O-] ZINC001184557858 744061274 /nfs/dbraw/zinc/06/12/74/744061274.db2.gz OEKFIXHQVSWOHS-UHFFFAOYSA-N -2 0 308.658 1.879 20 0 DDADRL C[C@H]1CC[C@@H](CO)N1C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189870190 745008820 /nfs/dbraw/zinc/00/88/20/745008820.db2.gz AUEONGQHUYQXHF-UWVGGRQHSA-N -2 0 315.262 1.144 20 0 DDADRL C[C@H]1C[C@@H](CF)N(C(=O)c2ccccc2OP(=O)([O-])[O-])C1 ZINC001189872521 745009949 /nfs/dbraw/zinc/00/99/49/745009949.db2.gz UVXZMGFFYYWEOB-UWVGGRQHSA-N -2 0 317.253 1.978 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)on1 ZINC001195185583 746540429 /nfs/dbraw/zinc/54/04/29/746540429.db2.gz QGDWIUANDILVHL-UHFFFAOYSA-N -2 0 318.257 1.760 20 0 DDADRL Cc1cc(O)cnc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198739137 747585217 /nfs/dbraw/zinc/58/52/17/747585217.db2.gz LIGODNFSBFUTRX-UHFFFAOYSA-N -2 0 308.315 1.595 20 0 DDADRL CCc1cc2ncnc(NCCOP(=O)([O-])[O-])c2s1 ZINC001168588987 751196948 /nfs/dbraw/zinc/19/69/48/751196948.db2.gz BBRPXYXJVZQYEL-UHFFFAOYSA-N -2 0 303.280 1.775 20 0 DDADRL Cc1c(Cl)nc(N(C)C)nc1NCCOP(=O)([O-])[O-] ZINC001168589357 751201022 /nfs/dbraw/zinc/20/10/22/751201022.db2.gz IBCAXYJJHAESRV-UHFFFAOYSA-N -2 0 310.678 1.026 20 0 DDADRL Nc1ncc(Cl)nc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238464 778089013 /nfs/dbraw/zinc/08/90/13/778089013.db2.gz GBDYTOPGZVCYTE-UHFFFAOYSA-N -2 0 308.681 1.852 20 0 DDADRL NC(=O)c1cccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176239484 778089658 /nfs/dbraw/zinc/08/96/58/778089658.db2.gz YITILLNNYTVNMM-UHFFFAOYSA-N -2 0 300.270 1.926 20 0 DDADRL NC(=O)c1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1O ZINC001176244792 778093940 /nfs/dbraw/zinc/09/39/40/778093940.db2.gz OZNBJGVBRVBREH-UHFFFAOYSA-N -2 0 316.269 1.631 20 0 DDADRL O=C(Cn1nn[n-]c1=S)Nc1c(Cl)ccc([O-])c1Cl ZINC001177740953 778717790 /nfs/dbraw/zinc/71/77/90/778717790.db2.gz MDQZLGYVDXGYOO-UHFFFAOYSA-N -2 0 320.161 1.613 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])C1(C(F)(F)F)CCCC1 ZINC001180479375 779777347 /nfs/dbraw/zinc/77/73/47/779777347.db2.gz NCDCAISVPOJUKB-UHFFFAOYSA-N -2 0 305.189 1.335 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cc2cnc(Cl)cc2[nH]1 ZINC001151417291 862765385 /nfs/dbraw/zinc/76/53/85/862765385.db2.gz OGRVEPQTMWGUIF-UHFFFAOYSA-N -2 0 319.641 1.055 20 0 DDADRL O=P([O-])([O-])OCCNc1cnc2cccc(Cl)c2n1 ZINC001157787586 864139672 /nfs/dbraw/zinc/13/96/72/864139672.db2.gz NSIBXTJWDOVKNQ-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL CCOC(=O)c1cc(C)cnc1NCCOP(=O)([O-])[O-] ZINC001157791375 864143768 /nfs/dbraw/zinc/14/37/68/864143768.db2.gz MMXWSYXKPSYDBB-UHFFFAOYSA-N -2 0 304.239 1.088 20 0 DDADRL O=C([O-])C[C@@H](C(=O)Oc1cccc(C(F)F)c1)[C@H](O)C(=O)[O-] ZINC001225544319 881897114 /nfs/dbraw/zinc/89/71/14/881897114.db2.gz SKUAUWBFXDJJPY-SCZZXKLOSA-N -2 0 318.228 1.066 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc(-c2ccccc2)ns1 ZINC001298668764 870666317 /nfs/dbraw/zinc/66/63/17/870666317.db2.gz UXPBPPWHHJDERQ-UHFFFAOYSA-N -2 0 303.303 1.197 20 0 DDADRL CC1(C)CC(=O)CC[C@H]1Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21 ZINC001226888670 882704559 /nfs/dbraw/zinc/70/45/59/882704559.db2.gz UAXYJXXJVAKKQU-SSDOTTSWSA-N -2 0 320.305 1.063 20 0 DDADRL Cc1cc(C)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(C)c1 ZINC001228407436 883483293 /nfs/dbraw/zinc/48/32/93/883483293.db2.gz LPIRSCYPKFMIMQ-JQWIXIFHSA-N -2 0 310.302 1.054 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1ccc(SC(F)(F)F)o1 ZINC001362948113 885057735 /nfs/dbraw/zinc/05/77/35/885057735.db2.gz GGORAOWVBQOPKP-UHFFFAOYSA-N -2 0 310.213 1.278 20 0 DDADRL CCOC(=O)c1cnc(NC(=O)c2cc(F)c([O-])c(F)c2)[n-]1 ZINC001362977519 885130445 /nfs/dbraw/zinc/13/04/45/885130445.db2.gz MMSZMUIDYXOGAL-UHFFFAOYSA-N -2 0 311.244 1.823 20 0 DDADRL O=C(NC1(c2nnn[n-]2)CCC1)c1ccc2[n-]c(=S)oc2c1 ZINC000738009705 913549303 /nfs/dbraw/zinc/54/93/03/913549303.db2.gz JBTJGRZIMZFNSO-UHFFFAOYSA-N -2 0 316.346 1.439 20 0 DDADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cnc2c(c1)NCCO2 ZINC001245545864 892169003 /nfs/dbraw/zinc/16/90/03/892169003.db2.gz JDLBYZIUOWPPHY-UHFFFAOYSA-N -2 0 300.270 1.949 20 0 DDADRL O=c1cc(-c2ccccn2)[n-]n1-c1cccc(S(=O)(=O)[O-])c1 ZINC001245916515 892271724 /nfs/dbraw/zinc/27/17/24/892271724.db2.gz KUUFNCDVPLCGKI-UHFFFAOYSA-N -2 0 317.326 1.887 20 0 DDADRL O=c1cc(C2CCOCC2)[n-]n1-c1ccccc1S(=O)(=O)[O-] ZINC001245942674 892280562 /nfs/dbraw/zinc/28/05/62/892280562.db2.gz MKGRFLMQTVUMLT-UHFFFAOYSA-N -2 0 324.358 1.719 20 0 DDADRL Cc1cc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc(C(=O)[O-])c1 ZINC000350518905 539410500 /nfs/dbraw/zinc/41/05/00/539410500.db2.gz XQTYFYSIYYOMTN-UHFFFAOYSA-N -2 0 324.314 1.520 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1cc(C)c(C)cc1C(=O)[O-] ZINC000358498363 299174293 /nfs/dbraw/zinc/17/42/93/299174293.db2.gz QNCFGKSTTSMMTN-UHFFFAOYSA-N -2 0 309.347 1.834 20 0 DDADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@@H](C)C(=O)[O-])n2)cc1 ZINC000236788374 202009931 /nfs/dbraw/zinc/00/99/31/202009931.db2.gz MSDZNITWRIIEPP-JTQLQIEISA-N -2 0 317.345 1.904 20 0 DDADRL CC(C)n1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cn1 ZINC000584693768 354745270 /nfs/dbraw/zinc/74/52/70/354745270.db2.gz YGYLZUQWWIAUGS-UHFFFAOYSA-N -2 0 323.374 1.892 20 0 DDADRL C[C@@H]1CN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC[C@@H]1C(=O)[O-] ZINC000626773356 367738327 /nfs/dbraw/zinc/73/83/27/367738327.db2.gz NOHWKBGQXLDBLJ-ADEWGFFLSA-N -2 0 312.366 1.240 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2cc(C)n(C)n2)sc1C(=O)[O-] ZINC000336829913 249241835 /nfs/dbraw/zinc/24/18/35/249241835.db2.gz JFIURADISKRCBG-UHFFFAOYSA-N -2 0 315.376 1.597 20 0 DDADRL CC(C)n1cnc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1 ZINC000338222178 249844266 /nfs/dbraw/zinc/84/42/66/249844266.db2.gz WJIZVAOQZYVASP-UHFFFAOYSA-N -2 0 309.347 1.963 20 0 DDADRL CC(C)n1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC000061683246 184182596 /nfs/dbraw/zinc/18/25/96/184182596.db2.gz UKPZNPRGDCYFMR-UHFFFAOYSA-N -2 0 309.347 1.963 20 0 DDADRL C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000062912975 184259357 /nfs/dbraw/zinc/25/93/57/184259357.db2.gz DHMIKHXJJAYUGX-ZDUSSCGKSA-N -2 0 303.236 1.746 20 0 DDADRL COc1ccccc1S(=O)(=O)[N-]c1cncc(C(=O)[O-])c1 ZINC000062947021 184261845 /nfs/dbraw/zinc/26/18/45/184261845.db2.gz DBLQFQKXMKENEU-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000070556038 406818081 /nfs/dbraw/zinc/81/80/81/406818081.db2.gz SOSIWBIMNRKRMK-BDAKNGLRSA-N -2 0 319.329 1.887 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c[nH]1 ZINC000037048013 406985624 /nfs/dbraw/zinc/98/56/24/406985624.db2.gz BSGLWWZWRYLSKA-UHFFFAOYSA-N -2 0 306.303 1.390 20 0 DDADRL CC[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)CC)C(=O)[O-] ZINC000263019659 286898501 /nfs/dbraw/zinc/89/85/01/286898501.db2.gz SINWVRZWVAVDHZ-SNVBAGLBSA-N -2 0 314.363 1.041 20 0 DDADRL CO[C@@H](C)[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000290437077 409402229 /nfs/dbraw/zinc/40/22/29/409402229.db2.gz BMKFRWNEODZFPQ-SFYZADRCSA-N -2 0 305.327 1.226 20 0 DDADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccnn2C)cc1 ZINC000317632971 164027872 /nfs/dbraw/zinc/02/78/72/164027872.db2.gz OWIMTDDYASBNON-SNVBAGLBSA-N -2 0 323.374 1.799 20 0 DDADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c1 ZINC000347270451 410434068 /nfs/dbraw/zinc/43/40/68/410434068.db2.gz UIFIZCHJIURAEH-UHFFFAOYSA-N -2 0 321.358 1.400 20 0 DDADRL CO[C@@H](C)c1nc(=NC[C@@H](C(=O)[O-])c2ccccc2)s[n-]1 ZINC000385862099 418738243 /nfs/dbraw/zinc/73/82/43/418738243.db2.gz JTVAFQHQDQNURM-GXSJLCMTSA-N -2 0 307.375 1.948 20 0 DDADRL Cc1cc(C(=O)N(C)c2nccs2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000524816661 421274103 /nfs/dbraw/zinc/27/41/03/421274103.db2.gz RAJWJEOLTXYIHN-UHFFFAOYSA-N -2 0 317.330 1.478 20 0 DDADRL C[C@H]1CCCN(S(=O)(=O)c2cc([O-])cc(F)c2)[C@@H]1C(=O)[O-] ZINC000630445680 422109558 /nfs/dbraw/zinc/10/95/58/422109558.db2.gz ZKACIKJXBFBMGN-UFBFGSQYSA-N -2 0 317.338 1.405 20 0 DDADRL CCCc1n[n-]c(=NC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)s1 ZINC000630555468 422176358 /nfs/dbraw/zinc/17/63/58/422176358.db2.gz AWYATYIGNUDYRY-RKDXNWHRSA-N -2 0 312.395 1.487 20 0 DDADRL COC(C)(C)c1nc(=NC(=O)c2ccc([O-])cc2F)s[n-]1 ZINC000634151784 422289830 /nfs/dbraw/zinc/28/98/30/422289830.db2.gz KVMDGXLTYAZINX-UHFFFAOYSA-N -2 0 311.338 1.939 20 0 DDADRL CC1(C(=O)[O-])CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000646161583 423372173 /nfs/dbraw/zinc/37/21/73/423372173.db2.gz MKHZXAATUXZIQL-UHFFFAOYSA-N -2 0 320.345 1.781 20 0 DDADRL CC(C)[C@@H](CNC(=O)NC[C@@H](C(=O)[O-])C1CCC1)C(=O)[O-] ZINC000665314677 424780751 /nfs/dbraw/zinc/78/07/51/424780751.db2.gz NAWBGCWGCWAOQR-GHMZBOCLSA-N -2 0 300.355 1.143 20 0 DDADRL Cc1[nH]nc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1C ZINC000530575499 303204190 /nfs/dbraw/zinc/20/41/90/303204190.db2.gz IQRJYVNALZCPAQ-UHFFFAOYSA-N -2 0 314.305 1.337 20 0 DDADRL CC(C)c1nc(S(=O)(=O)N[C@@](C)(C(=O)[O-])C2CC2)cn1C ZINC000582358244 326017904 /nfs/dbraw/zinc/01/79/04/326017904.db2.gz NMECBGGQBMZOFN-CYBMUJFWSA-N -2 0 315.395 1.075 20 0 DDADRL CO[C@](C)(C(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000663025780 484609167 /nfs/dbraw/zinc/60/91/67/484609167.db2.gz KYPYLTAINLBPCT-LRDDRELGSA-N -2 0 323.345 1.068 20 0 DDADRL CC(C)(C(=O)[O-])n1cc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)cn1 ZINC000663128602 484690126 /nfs/dbraw/zinc/69/01/26/484690126.db2.gz ODUCXITUXPROKZ-LLVKDONJSA-N -2 0 323.349 1.532 20 0 DDADRL O=C([O-])COc1cccc(C(=O)NC[C@H](C(=O)[O-])C2CCC2)c1 ZINC000663159868 484711792 /nfs/dbraw/zinc/71/17/92/484711792.db2.gz ZHCNIWAIYALFRI-ZDUSSCGKSA-N -2 0 321.329 1.381 20 0 DDADRL CCC(C)(C)N(C)C(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000684896252 486454610 /nfs/dbraw/zinc/45/46/10/486454610.db2.gz RGZLULUQFFGVMF-CQSZACIVSA-N -2 0 300.355 1.478 20 0 DDADRL CCCn1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000737049277 600055691 /nfs/dbraw/zinc/05/56/91/600055691.db2.gz DTLYQGPBURRFJI-UHFFFAOYSA-N -2 0 309.347 1.792 20 0 DDADRL Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C(=O)[O-])[nH]1 ZINC000738463727 600176809 /nfs/dbraw/zinc/17/68/09/600176809.db2.gz RZAGPPGTXRNIHU-UHFFFAOYSA-N -2 0 324.314 1.520 20 0 DDADRL CCc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cc1 ZINC000737266407 600228813 /nfs/dbraw/zinc/22/88/13/600228813.db2.gz MAXVYTOZLGLXLW-UHFFFAOYSA-N -2 0 309.347 1.780 20 0 DDADRL COc1ccccc1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000738138476 600229288 /nfs/dbraw/zinc/22/92/88/600229288.db2.gz ZJKIQMWKGCMCQV-UHFFFAOYSA-N -2 0 311.319 1.226 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nccn3c2)s1 ZINC000740187513 600513356 /nfs/dbraw/zinc/51/33/56/600513356.db2.gz OWRLTQGSSIHNDN-UHFFFAOYSA-N -2 0 323.355 1.895 20 0 DDADRL Cc1nc2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2o1 ZINC000833007102 600673496 /nfs/dbraw/zinc/67/34/96/600673496.db2.gz ZWQCWJVPKWSYPJ-UHFFFAOYSA-N -2 0 321.314 1.963 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)nc2)cc1C(=O)[O-] ZINC000113709662 600809390 /nfs/dbraw/zinc/80/93/90/600809390.db2.gz CEWKYNSWTAQZPF-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)cc1 ZINC000821544302 600961418 /nfs/dbraw/zinc/96/14/18/600961418.db2.gz MUPBRRPJBGYGKJ-UHFFFAOYSA-N -2 0 311.237 1.007 20 0 DDADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC(C)(C)C(=O)[O-])n1 ZINC000832890220 601277788 /nfs/dbraw/zinc/27/77/88/601277788.db2.gz SLYYGHMNTLUDNN-UHFFFAOYSA-N -2 0 321.308 1.618 20 0 DDADRL Cc1nnc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])s1 ZINC000833021183 601502950 /nfs/dbraw/zinc/50/29/50/601502950.db2.gz JQPPFHPVXHHDKE-UHFFFAOYSA-N -2 0 313.360 1.654 20 0 DDADRL O=C([O-])C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)C1CC1 ZINC000137195567 601573447 /nfs/dbraw/zinc/57/34/47/601573447.db2.gz DGAJNLFTSFERBW-JTQLQIEISA-N -2 0 305.302 1.496 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cn1 ZINC000832419272 601831272 /nfs/dbraw/zinc/83/12/72/601831272.db2.gz GGOPXLDAWCDPFU-UHFFFAOYSA-N -2 0 315.332 1.046 20 0 DDADRL O=C([O-])N[C@@H](Cc1ccccc1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000740690143 601948505 /nfs/dbraw/zinc/94/85/05/601948505.db2.gz MOEDKKMAZISNIF-QWHCGFSZSA-N -2 0 308.334 1.440 20 0 DDADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000827303465 602186589 /nfs/dbraw/zinc/18/65/89/602186589.db2.gz FRQPILKKFPFGPW-SNVBAGLBSA-N -2 0 323.370 1.531 20 0 DDADRL CC(C)CS(=O)(=O)[N-]C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000738833913 602566470 /nfs/dbraw/zinc/56/64/70/602566470.db2.gz IVPREVQFWDWHFM-UHFFFAOYSA-N -2 0 318.326 1.631 20 0 DDADRL Cc1ccc(C(=O)N(C)CCN2CCN(C(=O)[O-])CC2)c(O)c1 ZINC000740107119 602576216 /nfs/dbraw/zinc/57/62/16/602576216.db2.gz YPYHGOYIVSGBGF-UHFFFAOYSA-N -2 0 321.377 1.068 20 0 DDADRL CCC[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000739322222 602670139 /nfs/dbraw/zinc/67/01/39/602670139.db2.gz YNALGGAWLCECHL-LLVKDONJSA-N -2 0 314.363 1.236 20 0 DDADRL C[C@H]1CN(Cc2nc(=O)c3sccc3[n-]2)C[C@H](C)N1C(=O)[O-] ZINC000739185799 602839268 /nfs/dbraw/zinc/83/92/68/602839268.db2.gz DUWZNQNEXKEDFK-IUCAKERBSA-N -2 0 322.390 1.970 20 0 DDADRL CCN(CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1C)C(=O)[O-] ZINC000739395616 602865170 /nfs/dbraw/zinc/86/51/70/602865170.db2.gz XGJLARQKVNWISH-UHFFFAOYSA-N -2 0 314.363 1.108 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2cccc3c2CCN3C(=O)[O-])cn1 ZINC000831019155 604015849 /nfs/dbraw/zinc/01/58/49/604015849.db2.gz XLRRETIOXUBCSE-UHFFFAOYSA-N -2 0 322.346 1.261 20 0 DDADRL CC(C)[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000736375418 604375182 /nfs/dbraw/zinc/37/51/82/604375182.db2.gz PBTDGULHAQLGHO-JTQLQIEISA-N -2 0 306.384 1.057 20 0 DDADRL O=C([O-])c1ccc(F)c(NC(=O)C(=O)[N-]OCC(F)(F)F)c1 ZINC000833148350 604424995 /nfs/dbraw/zinc/42/49/95/604424995.db2.gz HSWVYBZDWOGVGP-UHFFFAOYSA-N -2 0 324.186 1.073 20 0 DDADRL O=C([O-])C1(O)CCN(C(=O)c2cc(F)cc(Cl)c2[O-])CC1 ZINC000833785582 604779251 /nfs/dbraw/zinc/77/92/51/604779251.db2.gz FVYVRIZVIDKWJC-UHFFFAOYSA-N -2 0 317.700 1.236 20 0 DDADRL CC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000827525117 605171486 /nfs/dbraw/zinc/17/14/86/605171486.db2.gz XGZBLJICEUHSSY-FBOQAHMBSA-N -2 0 312.347 1.150 20 0 DDADRL COc1cc([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)ncn1 ZINC000833730152 605267134 /nfs/dbraw/zinc/26/71/34/605267134.db2.gz YIZFQKJTBSKTNR-UHFFFAOYSA-N -2 0 323.330 1.125 20 0 DDADRL CC(C)CCS(=O)(=O)[N-]C(=O)CC[C@@H]1CCCN1C(=O)[O-] ZINC000833794511 605501761 /nfs/dbraw/zinc/50/17/61/605501761.db2.gz ODTBZROWLDPTDN-NSHDSACASA-N -2 0 320.411 1.401 20 0 DDADRL O=C([O-])C[C@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)c1ccccc1 ZINC000834061060 606029334 /nfs/dbraw/zinc/02/93/34/606029334.db2.gz NTCNSFWNGUKWIS-NEPJUHHUSA-N -2 0 306.318 1.319 20 0 DDADRL O=C([O-])NCC1(C(=O)[N-]S(=O)(=O)CC2CCC2)CCCC1 ZINC000834208192 606029772 /nfs/dbraw/zinc/02/97/72/606029772.db2.gz XCMKTSCBVKVSLN-UHFFFAOYSA-N -2 0 318.395 1.061 20 0 DDADRL CN(CC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000833869541 606046931 /nfs/dbraw/zinc/04/69/31/606046931.db2.gz CDBBDBSHNRPHKA-UHFFFAOYSA-N -2 0 314.725 1.363 20 0 DDADRL O=C([O-])CCN(C(=O)C[C@@H](NC(=O)[O-])c1ccccc1)C1CC1 ZINC000834058295 606047021 /nfs/dbraw/zinc/04/70/21/606047021.db2.gz BMEYPFORWIGIOC-CYBMUJFWSA-N -2 0 320.345 1.851 20 0 DDADRL CN(C(=O)CC1CN(C(=O)[O-])C1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000833869202 606050570 /nfs/dbraw/zinc/05/05/70/606050570.db2.gz LSUUEWYFSWEBEC-CYBMUJFWSA-N -2 0 306.318 1.271 20 0 DDADRL O=C([O-])COc1cccc(NC(=O)C[C@H]2CCCN2C(=O)[O-])c1 ZINC000834065370 606056925 /nfs/dbraw/zinc/05/69/25/606056925.db2.gz LLQUPFFKKRYVOX-LLVKDONJSA-N -2 0 322.317 1.621 20 0 DDADRL CCCCC[C@H](NC(=O)[C@H]1CCCN(C(=O)[O-])C1)C(=O)[O-] ZINC000833852477 606067473 /nfs/dbraw/zinc/06/74/73/606067473.db2.gz DUPFRVZUQWHRFL-QWRGUYRKSA-N -2 0 300.355 1.526 20 0 DDADRL O=C([O-])NC1(CC(=O)N[C@H](C(=O)[O-])c2ccccc2F)CCC1 ZINC000834155635 606068878 /nfs/dbraw/zinc/06/88/78/606068878.db2.gz PGUZMHVFNGEHKX-LBPRGKRZSA-N -2 0 324.308 1.648 20 0 DDADRL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)C(F)(F)F ZINC000389275085 699088386 /nfs/dbraw/zinc/08/83/86/699088386.db2.gz OBCMUUUKAAYFCH-BYPYZUCNSA-N -2 0 303.283 1.675 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)C1 ZINC000863951782 706044528 /nfs/dbraw/zinc/04/45/28/706044528.db2.gz BYQGHPSCQCPLEB-DTWKUNHWSA-N -2 0 315.322 1.132 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C2(CC(=O)[O-])CCC2)s1 ZINC000863953021 706044961 /nfs/dbraw/zinc/04/49/61/706044961.db2.gz NDDXLIXBPZQVQA-UHFFFAOYSA-N -2 0 317.388 1.506 20 0 DDADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000863953452 706045389 /nfs/dbraw/zinc/04/53/89/706045389.db2.gz VQKCWZGGAUDXHG-UHFFFAOYSA-N -2 0 313.375 1.691 20 0 DDADRL Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC000863953427 706045531 /nfs/dbraw/zinc/04/55/31/706045531.db2.gz UWLFFMOPACTUSM-LLVKDONJSA-N -2 0 313.375 1.547 20 0 DDADRL O=C([O-])CCC(=O)[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000863960926 706046923 /nfs/dbraw/zinc/04/69/23/706046923.db2.gz CWWOYOWNLBYJGB-UHFFFAOYSA-N -2 0 319.766 1.193 20 0 DDADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)CCC1CCCC1 ZINC000863963169 706047400 /nfs/dbraw/zinc/04/74/00/706047400.db2.gz MWCPQYUAAHPGOE-NSHDSACASA-N -2 0 319.423 1.760 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)NCC[C@@H]1CCCS1 ZINC000871997368 707274876 /nfs/dbraw/zinc/27/48/76/707274876.db2.gz QEEQRQYTIQSAFV-ZETCQYMHSA-N -2 0 322.433 1.405 20 0 DDADRL C[C@@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)C[C@H](C(=O)[O-])O1 ZINC000909896008 709675848 /nfs/dbraw/zinc/67/58/48/709675848.db2.gz ODZNILRGRSODQG-LHLIQPBNSA-N -2 0 317.700 1.499 20 0 DDADRL Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c(C)n1C ZINC000910183471 709801179 /nfs/dbraw/zinc/80/11/79/709801179.db2.gz BNWMDNCPLMPMIW-CMPLNLGQSA-N -2 0 308.334 1.032 20 0 DDADRL CCCCSCCC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910189138 709804184 /nfs/dbraw/zinc/80/41/84/709804184.db2.gz QSURVSJSHWFFCN-MNOVXSKESA-N -2 0 317.407 1.686 20 0 DDADRL C[C@@H]1CCN(C(=O)C2(C(=O)[O-])CCSCC2)C[C@@H]1C(=O)[O-] ZINC000901697468 710122346 /nfs/dbraw/zinc/12/23/46/710122346.db2.gz FJFSYJOCGLGAJA-ZJUUUORDSA-N -2 0 315.391 1.154 20 0 DDADRL O=C([O-])C1=NN(c2ccccc2)[C@@H](C(=O)[N-]OCC2CC2)C1 ZINC000911808095 711005117 /nfs/dbraw/zinc/00/51/17/711005117.db2.gz DCHDQNPHDAYUNZ-CYBMUJFWSA-N -2 0 303.318 1.164 20 0 DDADRL CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000906787364 712411596 /nfs/dbraw/zinc/41/15/96/712411596.db2.gz BKHJESMYQTXOFM-MRVPVSSYSA-N -2 0 321.782 1.777 20 0 DDADRL CCN(CC(=O)[O-])C(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC000908950662 712894942 /nfs/dbraw/zinc/89/49/42/712894942.db2.gz KFSDMLQAPQENQY-UHFFFAOYSA-N -2 0 321.308 1.572 20 0 DDADRL O=C(NC1C(=O)N=CN=C1[O-])c1ccc([O-])c(C(F)(F)F)c1 ZINC001188572041 744721904 /nfs/dbraw/zinc/72/19/04/744721904.db2.gz JSLZKHMIEUXNNY-UHFFFAOYSA-N -2 0 315.207 1.865 20 0 DDADRL Cc1ncc(NC(=O)c2ccccc2OP(=O)([O-])[O-])cn1 ZINC001189860463 745003737 /nfs/dbraw/zinc/00/37/37/745003737.db2.gz IHGSCROYXJOJNC-UHFFFAOYSA-N -2 0 309.218 1.509 20 0 DDADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CCc2n[nH]cc2C1 ZINC001189871990 745009146 /nfs/dbraw/zinc/00/91/46/745009146.db2.gz RCNRNHRHOVIFER-UHFFFAOYSA-N -2 0 323.245 1.080 20 0 DDADRL O=C(NCCCC[P@](=O)([O-])O)c1cnc(-c2ccccc2)[nH]1 ZINC001192215778 745727551 /nfs/dbraw/zinc/72/75/51/745727551.db2.gz WHORZAKIEXSWII-UHFFFAOYSA-N -2 0 323.289 1.764 20 0 DDADRL Cc1ncncc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192686113 745862751 /nfs/dbraw/zinc/86/27/51/745862751.db2.gz LVAJDMCRMSQJGY-UHFFFAOYSA-N -2 0 323.330 1.049 20 0 DDADRL CC(C)(C)c1nc2nc[nH]c2c(NCCOP(=O)([O-])[O-])n1 ZINC001168586987 751180161 /nfs/dbraw/zinc/18/01/61/751180161.db2.gz NGWNOYUXRNSURD-UHFFFAOYSA-N -2 0 315.270 1.123 20 0 DDADRL CC1(C)Cc2cc(NCCOP(=O)([O-])[O-])ccc2C(=O)N1 ZINC001168595748 751271278 /nfs/dbraw/zinc/27/12/78/751271278.db2.gz MGTPWBZBQOAVLQ-UHFFFAOYSA-N -2 0 314.278 1.272 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cnc2[nH]ccc2c1Cl ZINC001151036154 862589599 /nfs/dbraw/zinc/58/95/99/862589599.db2.gz TUJPWAPGRFOFNF-UHFFFAOYSA-N -2 0 319.641 1.007 20 0 DDADRL Cc1ccc(C(C)C)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225224181 881730370 /nfs/dbraw/zinc/73/03/70/881730370.db2.gz AFIOQFFKUMNZQL-FZMZJTMJSA-N -2 0 324.329 1.560 20 0 DDADRL CCc1cc2c(ncnc2NCCOP(=O)([O-])[O-])s1 ZINC001157791421 864143512 /nfs/dbraw/zinc/14/35/12/864143512.db2.gz NLXZMPBZQUDNEC-UHFFFAOYSA-N -2 0 303.280 1.775 20 0 DDADRL O=P([O-])([O-])OCCN[C@H](F)Oc1ccc(Cl)nc1 ZINC001157791363 864143875 /nfs/dbraw/zinc/14/38/75/864143875.db2.gz MDGLGUGYKZIULG-QMMMGPOBSA-N -2 0 300.610 1.066 20 0 DDADRL O=C([O-])C[C@H](C(=O)Oc1ccc2ccccc2c1)[C@H](O)C(=O)[O-] ZINC001225267324 881752442 /nfs/dbraw/zinc/75/24/42/881752442.db2.gz KGRUWWWASXCKNY-JSGCOSHPSA-N -2 0 318.281 1.282 20 0 DDADRL O=C([N-]CCNc1cccc(S(=O)(=O)[O-])c1)C(F)(F)F ZINC001164245841 869055246 /nfs/dbraw/zinc/05/52/46/869055246.db2.gz ACXNHWQZLUBILC-UHFFFAOYSA-N -2 0 312.269 1.024 20 0 DDADRL CCOc1ccc(S(=O)(=O)[N-]c2cnccn2)cc1C(=O)[O-] ZINC000314462862 878687314 /nfs/dbraw/zinc/68/73/14/878687314.db2.gz JRDHOMSWRVVBIT-UHFFFAOYSA-N -2 0 323.330 1.374 20 0 DDADRL Cc1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc1C(C)C ZINC001228200311 883386681 /nfs/dbraw/zinc/38/66/81/883386681.db2.gz FNVGDUJBQLKZLY-OCCSQVGLSA-N -2 0 324.329 1.560 20 0 DDADRL CC(C)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228281603 883418897 /nfs/dbraw/zinc/41/88/97/883418897.db2.gz PRFFZBSCYMAXKQ-GWCFXTLKSA-N -2 0 310.302 1.252 20 0 DDADRL Cc1sc(Cl)nc1C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001363035615 885286335 /nfs/dbraw/zinc/28/63/35/885286335.db2.gz DSRIIQXFVKHQIU-UHFFFAOYSA-N -2 0 300.727 1.236 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1-c1ccc2c(c1)C(=O)[N-]S2(=O)=O ZINC001241001211 891114952 /nfs/dbraw/zinc/11/49/52/891114952.db2.gz VXSAQXZCYZNRNN-UHFFFAOYSA-N -2 0 317.322 1.792 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cnn(CC3CC3)c(=O)c2)c1 ZINC001242163914 891358056 /nfs/dbraw/zinc/35/80/56/891358056.db2.gz RPCZDFZBYLDWRC-UHFFFAOYSA-N -2 0 314.297 1.717 20 0 DDADRL Cc1ccc(-c2ccc3c(c2)S(=O)(=O)[N-]C3=O)cc1C(=O)[O-] ZINC001243197778 891620184 /nfs/dbraw/zinc/62/01/84/891620184.db2.gz SLYNXOBNBDSJPA-UHFFFAOYSA-N -2 0 317.322 1.792 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cn3ccccc3n2)c1 ZINC001260184405 899079439 /nfs/dbraw/zinc/07/94/39/899079439.db2.gz JMMSVXKKKWMHBF-UHFFFAOYSA-N -2 0 317.326 1.833 20 0 DDADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cncc(O)c2)c1 ZINC001260209454 899091897 /nfs/dbraw/zinc/09/18/97/899091897.db2.gz GGSBWAPRXIMBIV-UHFFFAOYSA-N -2 0 312.278 1.425 20 0 DDADRL CCOc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)no1 ZINC001260222194 899094490 /nfs/dbraw/zinc/09/44/90/899094490.db2.gz PZCFCTGEHWEWBS-UHFFFAOYSA-N -2 0 312.303 1.572 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc3ccnn3c2)cc1 ZINC001260222162 899095777 /nfs/dbraw/zinc/09/57/77/899095777.db2.gz OMRMNEGVHHDBLM-UHFFFAOYSA-N -2 0 318.314 1.228 20 0 DDADRL O=c1ccn(-c2ccc([N-]S(=O)(=O)c3cn[nH]c3)cc2)[n-]1 ZINC001260962444 899303016 /nfs/dbraw/zinc/30/30/16/899303016.db2.gz UCDXBASFAXNFMU-UHFFFAOYSA-N -2 0 305.319 1.102 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cn2)ccc1F ZINC000088248255 185243467 /nfs/dbraw/zinc/24/34/67/185243467.db2.gz IZMJVJVCAXDWBP-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL Cc1n[nH]c2cc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)ccc12 ZINC000093909168 353907626 /nfs/dbraw/zinc/90/76/26/353907626.db2.gz XRSPNUBQWBJYLI-UHFFFAOYSA-N -2 0 320.330 1.698 20 0 DDADRL CC(C)(C)CCS(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000227940703 354321993 /nfs/dbraw/zinc/32/19/93/354321993.db2.gz WVVMBEJYMPHWGY-SECBINFHSA-N -2 0 309.384 1.050 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2ccn(C)n2)cc(C(=O)[O-])c1C ZINC000348426212 283506376 /nfs/dbraw/zinc/50/63/76/283506376.db2.gz WXRWGNOXWVGQDU-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000349081349 283834678 /nfs/dbraw/zinc/83/46/78/283834678.db2.gz IYYASPUMYZGJEE-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL O=C([O-])[C@H]1CCCN(C(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000021812638 182293150 /nfs/dbraw/zinc/29/31/50/182293150.db2.gz YTKCEDBHSCOIGI-LURJTMIESA-N -2 0 303.236 1.746 20 0 DDADRL COc1ncccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000070156610 406809207 /nfs/dbraw/zinc/80/92/07/406809207.db2.gz ZYVVOMGWAUJJNL-UHFFFAOYSA-N -2 0 314.344 1.651 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000265768759 407444708 /nfs/dbraw/zinc/44/47/08/407444708.db2.gz NWPLKORDALLNFD-UHFFFAOYSA-N -2 0 323.374 1.881 20 0 DDADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000263385324 408125344 /nfs/dbraw/zinc/12/53/44/408125344.db2.gz YALUIGZYIRGPNU-GWCFXTLKSA-N -2 0 320.345 1.637 20 0 DDADRL C[C@@H](Cc1cncc2ccccc21)C(=O)N=c1ccc(O)n[n-]1 ZINC000343714003 410641692 /nfs/dbraw/zinc/64/16/92/410641692.db2.gz PMNASYTXWVLJRN-NSHDSACASA-N -2 0 308.341 1.970 20 0 DDADRL Cc1cc(=O)[nH]cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000353830166 411133922 /nfs/dbraw/zinc/13/39/22/411133922.db2.gz VBQWYKQDQSHOFE-UHFFFAOYSA-N -2 0 324.314 1.300 20 0 DDADRL O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)C1(C(=O)[O-])CC1 ZINC000580276764 422911111 /nfs/dbraw/zinc/91/11/11/422911111.db2.gz JOTPVNCVZKUBID-LBPRGKRZSA-N -2 0 305.330 1.444 20 0 DDADRL Cc1nc(C)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)s1 ZINC000433827642 229238780 /nfs/dbraw/zinc/23/87/80/229238780.db2.gz BLORJZLLQXUMTD-UHFFFAOYSA-N -2 0 301.349 1.587 20 0 DDADRL COc1cc(C(=O)[O-])ccc1CCN=c1[n-]nc(C(F)F)o1 ZINC000563213669 421473230 /nfs/dbraw/zinc/47/32/30/421473230.db2.gz JUZKXWPBDCJHJF-UHFFFAOYSA-N -2 0 313.260 1.791 20 0 DDADRL O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000630443287 422106764 /nfs/dbraw/zinc/10/67/64/422106764.db2.gz UTTRNPWUVIOMIJ-VIFPVBQESA-N -2 0 319.766 1.673 20 0 DDADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2cc([O-])cc(F)c2)C1 ZINC000630444415 422107249 /nfs/dbraw/zinc/10/72/49/422107249.db2.gz YELUCYROWSJNNU-RKDXNWHRSA-N -2 0 317.338 1.263 20 0 DDADRL C[C@@H]1CN(S(=O)(=O)c2cc([O-])cc(F)c2)CC[C@@H]1C(=O)[O-] ZINC000630447563 422108071 /nfs/dbraw/zinc/10/80/71/422108071.db2.gz SMLBDTHXNIDBHX-PELKAZGASA-N -2 0 317.338 1.263 20 0 DDADRL Cc1ccc(-c2noc(=NC[C@]3(C(=O)[O-])CCCOC3)[n-]2)cc1 ZINC000630464610 422118319 /nfs/dbraw/zinc/11/83/19/422118319.db2.gz YSPIHABJELAVAL-MRXNPFEDSA-N -2 0 317.345 1.760 20 0 DDADRL CC(C)(C)c1nc(=NCCOc2ccc(C(=O)[O-])cc2)[n-]o1 ZINC000574881381 422203346 /nfs/dbraw/zinc/20/33/46/422203346.db2.gz UUELRKZLKDKFIR-UHFFFAOYSA-N -2 0 305.334 1.978 20 0 DDADRL Cc1n[n-]c(=NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)s1 ZINC000653534177 423516645 /nfs/dbraw/zinc/51/66/45/423516645.db2.gz BEIIDNAAMBNSAR-BWVDBABLSA-N -2 0 312.395 1.525 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)NC[C@H](C(=O)[O-])C2CCC2)c1 ZINC000665313966 424780906 /nfs/dbraw/zinc/78/09/06/424780906.db2.gz ZARWCGLUKNEFLB-ZDUSSCGKSA-N -2 0 320.345 1.685 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2cc(F)ccc2O)cc1C(=O)[O-] ZINC000345689635 272304878 /nfs/dbraw/zinc/30/48/78/272304878.db2.gz JLRFWULAIKHVSM-UHFFFAOYSA-N -2 0 314.294 1.369 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=NC[C@H](CC(=O)[O-])C2CC2)cc1 ZINC000656782113 484322541 /nfs/dbraw/zinc/32/25/41/484322541.db2.gz CLXXFBPPQUZEHM-LBPRGKRZSA-N -2 0 301.350 1.305 20 0 DDADRL CC(C)(C(=O)[O-])n1cc(NC(=O)C2(CC(=O)[O-])CCC2)cn1 ZINC000663128275 484690145 /nfs/dbraw/zinc/69/01/45/484690145.db2.gz JEDIBLQODLLEHM-UHFFFAOYSA-N -2 0 309.322 1.286 20 0 DDADRL CC(C)(C(=O)[O-])n1cc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)cn1 ZINC000663128153 484690468 /nfs/dbraw/zinc/69/04/68/484690468.db2.gz FCTFOIJAVXJVCA-HNNXBMFYSA-N -2 0 321.333 1.452 20 0 DDADRL O=C([O-])CCCCC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000663136577 484695078 /nfs/dbraw/zinc/69/50/78/484695078.db2.gz XSSNYUSZKQJXDA-ZDUSSCGKSA-N -2 0 305.330 1.842 20 0 DDADRL CC(C)(CCNC(=O)NCc1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC000424400453 527041457 /nfs/dbraw/zinc/04/14/57/527041457.db2.gz UAFGCBSNZNHUFX-UHFFFAOYSA-N -2 0 308.334 1.685 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cn1 ZINC000818361907 597315674 /nfs/dbraw/zinc/31/56/74/597315674.db2.gz YTTGQDNUDRAOCO-UHFFFAOYSA-N -2 0 309.347 1.331 20 0 DDADRL O=C([O-])[C@@H]1CCCN1C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000819236525 597514322 /nfs/dbraw/zinc/51/43/22/597514322.db2.gz AVYHAXILUFALGN-JTQLQIEISA-N -2 0 319.342 1.313 20 0 DDADRL O=C([O-])c1cccc(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)c1 ZINC000821548440 598153604 /nfs/dbraw/zinc/15/36/04/598153604.db2.gz TUQAPLWQROSGEU-CYBMUJFWSA-N -2 0 323.312 1.417 20 0 DDADRL COCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000037018553 599736709 /nfs/dbraw/zinc/73/67/09/599736709.db2.gz GIKGXOVSDGGKGE-UHFFFAOYSA-N -2 0 311.315 1.925 20 0 DDADRL CCc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)s1 ZINC000737267758 599738967 /nfs/dbraw/zinc/73/89/67/599738967.db2.gz IJMLEHZTCSOWLS-UHFFFAOYSA-N -2 0 315.376 1.392 20 0 DDADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000739919737 599739387 /nfs/dbraw/zinc/73/93/87/599739387.db2.gz JBULZIAYIHIVTC-UHFFFAOYSA-N -2 0 315.738 1.422 20 0 DDADRL CC/C=C(\C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736947858 599910638 /nfs/dbraw/zinc/91/06/38/599910638.db2.gz GEMAGADSTQVAFM-QPJJXVBHSA-N -2 0 303.361 1.608 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-])cc1 ZINC000738653577 599911077 /nfs/dbraw/zinc/91/10/77/599911077.db2.gz YRKNUSZRIPWENQ-UHFFFAOYSA-N -2 0 314.363 1.190 20 0 DDADRL O=C([O-])c1ccc(CCC(=O)[N-]S(=O)(=O)CC2CC2)cc1 ZINC000739256247 600242989 /nfs/dbraw/zinc/24/29/89/600242989.db2.gz ORXYUBCRWNBPII-UHFFFAOYSA-N -2 0 311.359 1.173 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(CNC(=O)[O-])cc1 ZINC000738249006 600303032 /nfs/dbraw/zinc/30/30/32/600303032.db2.gz NPKYAGBFMFTATL-UHFFFAOYSA-N -2 0 310.335 1.287 20 0 DDADRL C[C@@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccccc1 ZINC000736547367 600462050 /nfs/dbraw/zinc/46/20/50/600462050.db2.gz ACPIWEVSXJAVIW-NSHDSACASA-N -2 0 313.375 1.491 20 0 DDADRL CSc1ccsc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000738208898 600462583 /nfs/dbraw/zinc/46/25/83/600462583.db2.gz LYXZLXUQTSPMGX-UHFFFAOYSA-N -2 0 323.417 1.394 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)/C=C/c1ccsc1 ZINC000739695044 600464704 /nfs/dbraw/zinc/46/47/04/600464704.db2.gz AQQRGQWCKLZPIC-ONEGZZNKSA-N -2 0 303.361 1.072 20 0 DDADRL COCc1cccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c1 ZINC000737834752 600514706 /nfs/dbraw/zinc/51/47/06/600514706.db2.gz HIQOVTXIHCUIBX-UHFFFAOYSA-N -2 0 322.342 1.727 20 0 DDADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000740248863 600516385 /nfs/dbraw/zinc/51/63/85/600516385.db2.gz JDCGBQCUAKDASO-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL CCn1nccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000830452082 600827812 /nfs/dbraw/zinc/82/78/12/600827812.db2.gz RDKKGVIDJSIMAL-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL Cc1nnc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])s1 ZINC000833021934 601847905 /nfs/dbraw/zinc/84/79/05/601847905.db2.gz TWYAOEUYZBAPQH-UHFFFAOYSA-N -2 0 317.323 1.485 20 0 DDADRL CN(CCCC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)C(=O)[O-] ZINC000737430209 602325037 /nfs/dbraw/zinc/32/50/37/602325037.db2.gz YHCXAEUOLOQQRV-UHFFFAOYSA-N -2 0 320.305 1.358 20 0 DDADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCSC1 ZINC000833348562 602347503 /nfs/dbraw/zinc/34/75/03/602347503.db2.gz ZRWBUXFATUDDFV-ZCFIWIBFSA-N -2 0 321.401 1.004 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H](NC(=O)[O-])C(C)C ZINC000736964493 602728628 /nfs/dbraw/zinc/72/86/28/602728628.db2.gz GOYLHZJYBGKSPB-NXEZZACHSA-N -2 0 308.400 1.161 20 0 DDADRL O=C([O-])NC[C@H]1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000832590516 603730582 /nfs/dbraw/zinc/73/05/82/603730582.db2.gz VPNRNLCSMZLPLM-MRVPVSSYSA-N -2 0 321.358 1.846 20 0 DDADRL CN(C(=O)[O-])[C@H]1CCN(Cc2c([O-])nnn2-c2ccccc2)C1 ZINC000827891014 603916138 /nfs/dbraw/zinc/91/61/38/603916138.db2.gz YZJWIHZUQVUHHD-LBPRGKRZSA-N -2 0 317.349 1.157 20 0 DDADRL C[C@H](CN(C)C(=O)[O-])C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000824874414 604137800 /nfs/dbraw/zinc/13/78/00/604137800.db2.gz QUKVDJCUNYORBJ-MRVPVSSYSA-N -2 0 320.305 1.214 20 0 DDADRL Cc1nc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)s1 ZINC000833755079 604690942 /nfs/dbraw/zinc/69/09/42/604690942.db2.gz YSOWZEFDYSJWFU-UHFFFAOYSA-N -2 0 313.360 1.654 20 0 DDADRL CCCCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829430665 604878939 /nfs/dbraw/zinc/87/89/39/604878939.db2.gz JMTDAZYWXIZQHL-UHFFFAOYSA-N -2 0 303.311 1.384 20 0 DDADRL CC(C)(CCC(=O)[O-])NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833457069 604881641 /nfs/dbraw/zinc/88/16/41/604881641.db2.gz KEKCFBDMKGJAAW-UHFFFAOYSA-N -2 0 321.376 1.368 20 0 DDADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)c1 ZINC000833753846 605006692 /nfs/dbraw/zinc/00/66/92/605006692.db2.gz GQJYQNTUZRMXQA-UHFFFAOYSA-N -2 0 322.346 1.863 20 0 DDADRL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000833601513 605187968 /nfs/dbraw/zinc/18/79/68/605187968.db2.gz LLFHVIUGVQTGFU-SFYZADRCSA-N -2 0 317.388 1.687 20 0 DDADRL O=C([O-])Nc1ccc(CC(=O)N[C@H](CC2CC2)C(=O)[O-])cc1 ZINC000834255879 605307966 /nfs/dbraw/zinc/30/79/66/605307966.db2.gz LXJOWAIYUXQUDW-GFCCVEGCSA-N -2 0 306.318 1.689 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000834060631 605310417 /nfs/dbraw/zinc/31/04/17/605310417.db2.gz TZNURFYVHBLKTD-RYUDHWBXSA-N -2 0 312.366 1.480 20 0 DDADRL C[C@@H](CCNC(=O)c1cc(F)cc(Cl)c1[O-])NC(=O)[O-] ZINC000824802622 605553239 /nfs/dbraw/zinc/55/32/39/605553239.db2.gz MRLHXUDZAKPJHW-LURJTMIESA-N -2 0 304.705 1.961 20 0 DDADRL O=C([O-])N1CC(CNC(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000834037854 605782718 /nfs/dbraw/zinc/78/27/18/605782718.db2.gz JANGROFVDSNOOO-UHFFFAOYSA-N -2 0 307.331 1.456 20 0 DDADRL O=C([O-])CCNC(=O)C1(c2ccccc2)CCN(C(=O)[O-])CC1 ZINC000834058351 606036039 /nfs/dbraw/zinc/03/60/39/606036039.db2.gz BWZLIVKBYOVWTM-UHFFFAOYSA-N -2 0 320.345 1.289 20 0 DDADRL C[C@@H]1[C@@H](C)N(C(=O)[O-])CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000833829240 606045318 /nfs/dbraw/zinc/04/53/18/606045318.db2.gz RBSLEYASBCPRRT-RKDXNWHRSA-N -2 0 322.390 1.970 20 0 DDADRL O=C([O-])NCCCC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000834229379 606050594 /nfs/dbraw/zinc/05/05/94/606050594.db2.gz GQWODDFQLORKJA-OAHLLOKOSA-N -2 0 306.318 1.077 20 0 DDADRL O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000834061707 606052384 /nfs/dbraw/zinc/05/23/84/606052384.db2.gz YGSDOEOVLSHWTA-YPMHNXCESA-N -2 0 318.329 1.197 20 0 DDADRL O=C([O-])CC1(NC(=O)C[C@H](NC(=O)[O-])c2ccccc2)CCC1 ZINC000834061271 606052822 /nfs/dbraw/zinc/05/28/22/606052822.db2.gz SBOOMZQSPAUVJY-LBPRGKRZSA-N -2 0 320.345 1.899 20 0 DDADRL C[C@H](C(=O)[O-])[C@H](NC(=O)CCCN(C)C(=O)[O-])c1ccccc1 ZINC000833790909 606054085 /nfs/dbraw/zinc/05/40/85/606054085.db2.gz QRIQOKVVNZQDRT-FZMZJTMJSA-N -2 0 322.361 1.955 20 0 DDADRL O=C([O-])COc1cccc(NC(=O)[C@H]2CCCCN2C(=O)[O-])c1 ZINC000834064923 606056407 /nfs/dbraw/zinc/05/64/07/606056407.db2.gz GJVQPRBRWATHOD-GFCCVEGCSA-N -2 0 322.317 1.621 20 0 DDADRL O=C([O-])COc1cccc(NC(=O)C[C@@H]2CCCN2C(=O)[O-])c1 ZINC000834065372 606057107 /nfs/dbraw/zinc/05/71/07/606057107.db2.gz LLQUPFFKKRYVOX-NSHDSACASA-N -2 0 322.317 1.621 20 0 DDADRL Cc1ccc(NC(=O)[C@@H]2COCCN2C(=O)[O-])cc1C(=O)[O-] ZINC000833905161 606064582 /nfs/dbraw/zinc/06/45/82/606064582.db2.gz LIBLPZZBDJRQDN-NSHDSACASA-N -2 0 308.290 1.011 20 0 DDADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cncnc2)c1F ZINC000767048609 701080772 /nfs/dbraw/zinc/08/07/72/701080772.db2.gz VPBNHBUGGFVRSX-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL Cc1cc(F)c(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])cc1F ZINC000827610045 706036677 /nfs/dbraw/zinc/03/66/77/706036677.db2.gz HULYLJXJNZXRFX-UHFFFAOYSA-N -2 0 321.301 1.189 20 0 DDADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000863952902 706045167 /nfs/dbraw/zinc/04/51/67/706045167.db2.gz HUGQYGPHKYQRQH-SNVBAGLBSA-N -2 0 317.338 1.378 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000863954718 706045842 /nfs/dbraw/zinc/04/58/42/706045842.db2.gz KMOGGXIIEVYJLV-LBPRGKRZSA-N -2 0 319.423 1.760 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000863954528 706045890 /nfs/dbraw/zinc/04/58/90/706045890.db2.gz YVWPOLLMJCGASH-NSHDSACASA-N -2 0 305.396 1.370 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000863954998 706045966 /nfs/dbraw/zinc/04/59/66/706045966.db2.gz WJQOGMRIHVSZPU-NOZJJQNGSA-N -2 0 305.396 1.370 20 0 DDADRL Cc1cccc(CCC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910187431 709803193 /nfs/dbraw/zinc/80/31/93/709803193.db2.gz CVYGXSFWMXBRHZ-UONOGXRCSA-N -2 0 319.357 1.704 20 0 DDADRL Cc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])ccc1F ZINC000910189224 709804066 /nfs/dbraw/zinc/80/40/66/709804066.db2.gz REDVSFYWCHBBHT-ZYHUDNBSSA-N -2 0 309.293 1.524 20 0 DDADRL C[C@H](CC1CCCC1)C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910191122 709805011 /nfs/dbraw/zinc/80/50/11/709805011.db2.gz XUJKUDMSYASCLD-KGYLQXTDSA-N -2 0 311.378 1.979 20 0 DDADRL COc1nccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1 ZINC001185869022 744303273 /nfs/dbraw/zinc/30/32/73/744303273.db2.gz HRDBEWWJYJZGRU-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL O=C(NC1C(=O)N=CN=C1[O-])c1cc(F)c(F)c([O-])c1F ZINC001186771425 744447969 /nfs/dbraw/zinc/44/79/69/744447969.db2.gz WQOMUKOJWHGEAE-UHFFFAOYSA-N -2 0 301.180 1.263 20 0 DDADRL COc1cc(NC(=O)c2ccccc2OP(=O)([O-])[O-])no1 ZINC001189861332 745003474 /nfs/dbraw/zinc/00/34/74/745003474.db2.gz RFJGADIJHHGLHB-UHFFFAOYSA-N -2 0 314.190 1.407 20 0 DDADRL O=C(N[C@@H]1CCOC[C@@H]1F)c1ccccc1OP(=O)([O-])[O-] ZINC001189899958 745048327 /nfs/dbraw/zinc/04/83/27/745048327.db2.gz YWAATVNXXUIYKW-VHSXEESVSA-N -2 0 319.225 1.015 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)N[C@H]2[CH]CC=C2)c(Cl)cc1F ZINC001194040785 746263136 /nfs/dbraw/zinc/26/31/36/746263136.db2.gz QHQUPKDZRUMTDT-SSDOTTSWSA-N -2 0 318.733 1.988 20 0 DDADRL CC(C)Oc1ccc(C(=O)NCCOP(=O)([O-])[O-])c(F)c1 ZINC001195806156 746711755 /nfs/dbraw/zinc/71/17/55/746711755.db2.gz PTRIHYHFTLYCKK-UHFFFAOYSA-N -2 0 321.241 1.452 20 0 DDADRL COC(=O)c1cc(NCCOP(=O)([O-])[O-])cc2[nH]ccc21 ZINC001168590916 751214370 /nfs/dbraw/zinc/21/43/70/751214370.db2.gz BWCUNOPBGLTJTR-UHFFFAOYSA-N -2 0 314.234 1.476 20 0 DDADRL COC(=O)c1cc2ncoc2c(NCCOP(=O)([O-])[O-])c1 ZINC001168591572 751219610 /nfs/dbraw/zinc/21/96/10/751219610.db2.gz BUZLARHZCZXBGU-UHFFFAOYSA-N -2 0 316.206 1.136 20 0 DDADRL CCOC(=O)c1ccc(NCCOP(=O)([O-])[O-])cc1OC ZINC001168594956 751258799 /nfs/dbraw/zinc/25/87/99/751258799.db2.gz FIPWKIKNDCHCRO-UHFFFAOYSA-N -2 0 319.250 1.393 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc3c(s2)CCC3)C1 ZINC000827898064 759412838 /nfs/dbraw/zinc/41/28/38/759412838.db2.gz UNPIZPKGCAANTC-ZJUUUORDSA-N -2 0 323.370 1.627 20 0 DDADRL O=P([O-])([O-])OCCNc1ccnc(Cc2ccccc2)n1 ZINC001157795855 766683779 /nfs/dbraw/zinc/68/37/79/766683779.db2.gz OGSLEBHKMVMCBU-UHFFFAOYSA-N -2 0 309.262 1.589 20 0 DDADRL O=C(NCc1n[nH]c(=O)[n-]1)c1cc(Cl)cc(Cl)c1[O-] ZINC001148811804 773607651 /nfs/dbraw/zinc/60/76/51/773607651.db2.gz LKLZRRJNTGHDOA-UHFFFAOYSA-N -2 0 303.105 1.453 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])C1CCC(C(F)(F)F)CC1 ZINC001179834704 779502778 /nfs/dbraw/zinc/50/27/78/779502778.db2.gz KHNUTIGPYADPNP-UHFFFAOYSA-N -2 0 319.216 1.581 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1c[nH]c2cnc(Cl)cc12 ZINC001154237149 860907766 /nfs/dbraw/zinc/90/77/66/860907766.db2.gz OHUFOSUXGYFQML-UHFFFAOYSA-N -2 0 319.641 1.055 20 0 DDADRL O=P([O-])([O-])OCCNc1ncnc2sc3c(c21)CCC3 ZINC001157795630 864148813 /nfs/dbraw/zinc/14/88/13/864148813.db2.gz IBFTYMACODGODD-UHFFFAOYSA-N -2 0 315.291 1.701 20 0 DDADRL CCCc1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227171737 882890127 /nfs/dbraw/zinc/89/01/27/882890127.db2.gz GLGLENZEXVUNMH-GWCFXTLKSA-N -2 0 310.302 1.081 20 0 DDADRL CC(C)c1ccc(COC(=O)[C@H](O)COP(=O)([O-])[O-])cc1 ZINC001222117738 880267387 /nfs/dbraw/zinc/26/73/87/880267387.db2.gz OSUKGRCPJFMHSG-GFCCVEGCSA-N -2 0 318.262 1.323 20 0 DDADRL O=C([O-])C[C@@H](C(=O)OCc1coc2ccccc12)[C@@H](O)C(=O)[O-] ZINC001224142576 881239458 /nfs/dbraw/zinc/23/94/58/881239458.db2.gz GYCDLRAOGIDQFE-ZWNOBZJWSA-N -2 0 322.269 1.012 20 0 DDADRL Cc1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccc1C(C)C ZINC001228200314 883387933 /nfs/dbraw/zinc/38/79/33/883387933.db2.gz FNVGDUJBQLKZLY-TZMCWYRMSA-N -2 0 324.329 1.560 20 0 DDADRL COC[C@H](C)OC[C@H](C)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234336205 887880471 /nfs/dbraw/zinc/88/04/71/887880471.db2.gz PXEAUVARPLVSBL-QWRGUYRKSA-N -2 0 320.278 1.977 20 0 DDADRL COC(=O)c1cncnc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242159609 891354847 /nfs/dbraw/zinc/35/48/47/891354847.db2.gz UMOWXBSMBVDEIS-UHFFFAOYSA-N -2 0 302.242 1.327 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc(S(=O)(=O)[O-])c2)c1 ZINC001242163349 891357185 /nfs/dbraw/zinc/35/71/85/891357185.db2.gz VEMSIVWEXKOXRL-UHFFFAOYSA-N -3 0 322.294 1.997 20 0 DDADRL COC(=O)c1ccc(-c2ccc(P(=O)([O-])[O-])cc2)c(OC)c1 ZINC001245634629 892205165 /nfs/dbraw/zinc/20/51/65/892205165.db2.gz OAXXYKPXCROINV-UHFFFAOYSA-N -2 0 322.253 1.952 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)ncn1C ZINC001260210334 899091477 /nfs/dbraw/zinc/09/14/77/899091477.db2.gz VIHLYZMIFCAQJR-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(O)c1 ZINC000442841698 539530925 /nfs/dbraw/zinc/53/09/25/539530925.db2.gz OMKIECUEHSNKMU-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL Cn1nccc1S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)[O-] ZINC000124114027 354036936 /nfs/dbraw/zinc/03/69/36/354036936.db2.gz IWBMGWIAVLMVRO-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(C)cc1C(=O)[O-] ZINC000352443766 285054429 /nfs/dbraw/zinc/05/44/29/285054429.db2.gz QIPVIFMSXZWUNW-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3nccnc3c2)c[nH]1 ZINC000315552649 164019752 /nfs/dbraw/zinc/01/97/52/164019752.db2.gz IWRBMBIBWMZOAE-UHFFFAOYSA-N -2 0 318.314 1.457 20 0 DDADRL CCc1oncc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000337867169 409522692 /nfs/dbraw/zinc/52/26/92/409522692.db2.gz OQWXPESXBICLRC-UHFFFAOYSA-N -2 0 310.331 1.665 20 0 DDADRL Cc1n[n-]c(=NC(=O)N(C)[C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000564154579 421571842 /nfs/dbraw/zinc/57/18/42/421571842.db2.gz DUDBAPXBDURYRU-LLVKDONJSA-N -2 0 320.374 1.428 20 0 DDADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C)c1C ZINC000532302565 421655020 /nfs/dbraw/zinc/65/50/20/421655020.db2.gz IDEWXZDBJBFCOO-UHFFFAOYSA-N -2 0 315.376 1.597 20 0 DDADRL C[C@H]1CN(C(=O)N=c2ccc(C3CC3)n[n-]2)CC[C@H]1C(=O)[O-] ZINC000630563927 422183199 /nfs/dbraw/zinc/18/31/99/422183199.db2.gz SQLCNPMDXQWAIM-GXSJLCMTSA-N -2 0 304.350 1.350 20 0 DDADRL O=C([O-])[C@@]1(CN=c2[n-]c(-c3ccccc3)no2)CCCOC1 ZINC000630463932 422119632 /nfs/dbraw/zinc/11/96/32/422119632.db2.gz RVUORTXTMAZFND-OAHLLOKOSA-N -2 0 303.318 1.452 20 0 DDADRL CCc1ncc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)s1 ZINC000577629156 422398618 /nfs/dbraw/zinc/39/86/18/422398618.db2.gz KUUMBHZCHXXVHN-GMSGAONNSA-N -2 0 306.409 1.483 20 0 DDADRL CC(C)C[C@@H](CNC(=O)NC[C@@H](C(=O)[O-])C(C)C)C(=O)[O-] ZINC000655879933 424690255 /nfs/dbraw/zinc/69/02/55/424690255.db2.gz STQHHXFZEZCFLY-WDEREUQCSA-N -2 0 302.371 1.389 20 0 DDADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000665316556 424781296 /nfs/dbraw/zinc/78/12/96/424781296.db2.gz IGSDGZKLZZFLRH-YUSALJHKSA-N -2 0 312.366 1.240 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cnn1C ZINC000362436148 300063011 /nfs/dbraw/zinc/06/30/11/300063011.db2.gz YWWKIAPCOLVSJC-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL O=C([O-])c1cccc(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000362490475 300076657 /nfs/dbraw/zinc/07/66/57/300076657.db2.gz SHUDYDPOIMKAOK-UHFFFAOYSA-N -2 0 310.273 1.212 20 0 DDADRL C[C@@H](C(=O)[O-])N(C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C1CC1 ZINC000579122840 308509262 /nfs/dbraw/zinc/50/92/62/308509262.db2.gz ZDFCFNNODMLJAC-QMMMGPOBSA-N -2 0 317.301 1.108 20 0 DDADRL C/C=C\C[C@H](NS(=O)(=O)c1cnc(CC)s1)C(=O)[O-] ZINC000582358364 326018123 /nfs/dbraw/zinc/01/81/23/326018123.db2.gz SXSSATDTAXDUFQ-NHLYECAPSA-N -2 0 304.393 1.403 20 0 DDADRL C[C@H](C[C@@H]1CCCO1)NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000582358394 326018135 /nfs/dbraw/zinc/01/81/35/326018135.db2.gz UTAJLXUKIOPHCS-SCZZXKLOSA-N -2 0 319.404 1.682 20 0 DDADRL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])c(F)c1 ZINC000656164000 483988751 /nfs/dbraw/zinc/98/87/51/483988751.db2.gz DWDNKPCUAIXFQI-VIFPVBQESA-N -2 0 311.281 1.364 20 0 DDADRL O=C([O-])[C@H](C[N-]S(=O)(=O)c1c(F)cccc1F)C1CCC1 ZINC000663256574 484769894 /nfs/dbraw/zinc/76/98/94/484769894.db2.gz WQHMJNGTUKZCSE-SECBINFHSA-N -2 0 319.329 1.744 20 0 DDADRL CCSc1n[n-]c(=NC(=O)NCCC(C)(C)C(=O)[O-])s1 ZINC000424477034 529259294 /nfs/dbraw/zinc/25/92/94/529259294.db2.gz UYPODDPPCOBSGI-UHFFFAOYSA-N -2 0 318.424 1.694 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000833345423 601768537 /nfs/dbraw/zinc/76/85/37/601768537.db2.gz SMEPDGNZAZIAQW-UHFFFAOYSA-N -2 0 319.751 1.691 20 0 DDADRL O=C(C[C@@]1(C(=O)[O-])CCSC1)NC1CCC(C(=O)[O-])CC1 ZINC000821374842 598133104 /nfs/dbraw/zinc/13/31/04/598133104.db2.gz WFKMRWYMLUHBMM-FDZGAKKTSA-N -2 0 315.391 1.344 20 0 DDADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CCNC(=O)[O-] ZINC000737497069 599715089 /nfs/dbraw/zinc/71/50/89/599715089.db2.gz UTXGWZHNPBZGCO-UHFFFAOYSA-N -2 0 310.335 1.013 20 0 DDADRL O=C([O-])[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000739545664 599729927 /nfs/dbraw/zinc/72/99/27/599729927.db2.gz ABWZOPBLKRKZHS-CHWSQXEVSA-N -2 0 321.354 1.140 20 0 DDADRL CC(=O)c1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cc1 ZINC000736192640 600228717 /nfs/dbraw/zinc/22/87/17/600228717.db2.gz USZOYWCOSJATSK-UHFFFAOYSA-N -2 0 323.330 1.420 20 0 DDADRL O=C([O-])COc1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000833261635 600670067 /nfs/dbraw/zinc/67/00/67/600670067.db2.gz NMUKTYPOQKLDOY-OLZOCXBDSA-N -2 0 319.313 1.756 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)nc1 ZINC000832419241 600829573 /nfs/dbraw/zinc/82/95/73/600829573.db2.gz DOYIAMYLBPHCMY-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL O=C([O-])CSCCNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000833262556 600934903 /nfs/dbraw/zinc/93/49/03/600934903.db2.gz UHBBFENJEPBBHX-UHFFFAOYSA-N -2 0 312.372 1.664 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cn2)ccc1C(=O)[O-] ZINC000318897200 600980851 /nfs/dbraw/zinc/98/08/51/600980851.db2.gz PFLQYQGKMCGJNK-UHFFFAOYSA-N -2 0 317.326 1.761 20 0 DDADRL Cc1cccnc1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000832981602 601142394 /nfs/dbraw/zinc/14/23/94/601142394.db2.gz CZIFMMNENZLBST-UHFFFAOYSA-N -2 0 320.326 1.207 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2n[nH]c3cccc(F)c32)c[nH]1 ZINC000833306376 601201443 /nfs/dbraw/zinc/20/14/43/601201443.db2.gz OZKCARVSYHRZSG-UHFFFAOYSA-N -2 0 324.293 1.529 20 0 DDADRL C[C@H](CS(=O)(=O)Nc1cc(F)c(F)cc1C(=O)[O-])C(=O)[O-] ZINC000827571491 601615887 /nfs/dbraw/zinc/61/58/87/601615887.db2.gz KPPZAMXKJDGAIL-RXMQYKEDSA-N -2 0 323.273 1.125 20 0 DDADRL C[C@@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)C[C@H]1C(=O)[O-] ZINC000817870111 601760310 /nfs/dbraw/zinc/76/03/10/601760310.db2.gz TZDQFKWBZHRRJA-VXNVDRBHSA-N -2 0 306.343 1.909 20 0 DDADRL Cc1nn2c(SCc3ccsc3C(=O)[O-])n[n-]c2nc1=O ZINC000833021808 601810672 /nfs/dbraw/zinc/81/06/72/601810672.db2.gz VYDGKHLLAFSRQX-UHFFFAOYSA-N -2 0 323.359 1.173 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-])c(F)c1 ZINC000832954653 602196494 /nfs/dbraw/zinc/19/64/94/602196494.db2.gz MQTGLXJNVSOCBB-MRVPVSSYSA-N -2 0 303.311 1.050 20 0 DDADRL Cc1cc(F)c(S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-])cc1F ZINC000832887137 602269453 /nfs/dbraw/zinc/26/94/53/602269453.db2.gz BAWCRNOGILDQFJ-SSDOTTSWSA-N -2 0 321.301 1.189 20 0 DDADRL CCCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n[nH]1 ZINC000169048206 602305348 /nfs/dbraw/zinc/30/53/48/602305348.db2.gz NMQZTLNCZQMZCG-UHFFFAOYSA-N -2 0 315.376 1.923 20 0 DDADRL CCCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n[nH]1 ZINC000228328048 602305614 /nfs/dbraw/zinc/30/56/14/602305614.db2.gz CLGLNVKGMJVHNB-UHFFFAOYSA-N -2 0 315.376 1.923 20 0 DDADRL CCCCS(=O)(=O)[N-]C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739339700 602565809 /nfs/dbraw/zinc/56/58/09/602565809.db2.gz QLPJQYJNZQOOLX-UHFFFAOYSA-N -2 0 318.326 1.775 20 0 DDADRL C[C@H]1CN(C(=O)c2c([O-])cc(F)cc2F)C[C@H](C)N1C(=O)[O-] ZINC000739160399 602908663 /nfs/dbraw/zinc/90/86/63/602908663.db2.gz BREICLYBRGGKQB-YUMQZZPRSA-N -2 0 314.288 1.883 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CC(C)(C)NC(=O)[O-])s1 ZINC000740146758 603160982 /nfs/dbraw/zinc/16/09/82/603160982.db2.gz JMIAFWRKDNLNMV-UHFFFAOYSA-N -2 0 320.392 1.298 20 0 DDADRL O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)c1c([O-])cc(F)cc1F ZINC000832482481 603910272 /nfs/dbraw/zinc/91/02/72/603910272.db2.gz OBLBXZGGSLVGJR-XCBNKYQSSA-N -2 0 314.288 1.837 20 0 DDADRL Cc1ccc(F)c(NS(=O)(=O)C[C@@H](C)C(=O)[O-])c1C(=O)[O-] ZINC000833749380 604944246 /nfs/dbraw/zinc/94/42/46/604944246.db2.gz IFESMXJQVHYASX-SSDOTTSWSA-N -2 0 319.310 1.295 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)o1 ZINC000833751456 605011541 /nfs/dbraw/zinc/01/15/41/605011541.db2.gz ZLFNLQAIJVKZAN-UHFFFAOYSA-N -2 0 302.333 1.472 20 0 DDADRL CC1(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000833553185 605118895 /nfs/dbraw/zinc/11/88/95/605118895.db2.gz POFMROWNLVOUEC-UHFFFAOYSA-N -2 0 317.750 1.643 20 0 DDADRL C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000833601622 605188224 /nfs/dbraw/zinc/18/82/24/605188224.db2.gz NABVJFCYFKEPHJ-NXEZZACHSA-N -2 0 311.359 1.626 20 0 DDADRL C/C(=C\C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1)C(C)(C)C ZINC000823528072 605272852 /nfs/dbraw/zinc/27/28/52/605272852.db2.gz PLXWGUNNVMTSKT-PCYYEKQGSA-N -2 0 318.395 1.177 20 0 DDADRL CC(C)(C)CCCC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000823766425 605284111 /nfs/dbraw/zinc/28/41/11/605284111.db2.gz NNCPKPZUVFYLNW-SNVBAGLBSA-N -2 0 320.411 1.401 20 0 DDADRL O=C([O-])c1cccc(CCNC(=O)[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000834283407 605308073 /nfs/dbraw/zinc/30/80/73/605308073.db2.gz OJKZUOQYPYMYBK-CYBMUJFWSA-N -2 0 320.345 1.434 20 0 DDADRL O=C([O-])C[C@@H](NC(=O)CN(CC1CC1)C(=O)[O-])c1ccccc1 ZINC000834061449 606029641 /nfs/dbraw/zinc/02/96/41/606029641.db2.gz UYEMUJGFJHMFAM-CYBMUJFWSA-N -2 0 320.345 1.709 20 0 DDADRL O=C([O-])CN(C(=O)C[C@H](NC(=O)[O-])c1ccccc1)C1CC1 ZINC000834067253 606048529 /nfs/dbraw/zinc/04/85/29/606048529.db2.gz YTMRVQZTCVSDFK-LBPRGKRZSA-N -2 0 306.318 1.461 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000834163294 606048779 /nfs/dbraw/zinc/04/87/79/606048779.db2.gz JUTZFIRFZSYMMJ-QJPTWQEYSA-N -2 0 306.318 1.365 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)o1 ZINC000834249269 606054360 /nfs/dbraw/zinc/05/43/60/606054360.db2.gz RHGMZEAFZMQDJX-UHFFFAOYSA-N -2 0 304.258 1.998 20 0 DDADRL O=C([O-])C[C@@H]1CN(C(=O)c2cccc(NC(=O)[O-])c2)CCO1 ZINC000834061762 606062167 /nfs/dbraw/zinc/06/21/67/606062167.db2.gz ZRPUTKZZVGZWJH-LLVKDONJSA-N -2 0 308.290 1.092 20 0 DDADRL O=C([O-])Nc1ccc(C(=O)NCc2nc(C(=O)[O-])cs2)cc1 ZINC000834258380 606062756 /nfs/dbraw/zinc/06/27/56/606062756.db2.gz WIHRSLQWCDSXOS-UHFFFAOYSA-N -2 0 321.314 1.861 20 0 DDADRL O=C([O-])N[C@H](Cc1ccccc1)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000834150605 606063730 /nfs/dbraw/zinc/06/37/30/606063730.db2.gz QJZSCNUIIACUNR-GFCCVEGCSA-N -2 0 320.345 1.236 20 0 DDADRL O=C([O-])NCCCC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000834229312 606113142 /nfs/dbraw/zinc/11/31/42/606113142.db2.gz DMKITWBCNFWKNG-GFCCVEGCSA-N -2 0 306.318 1.245 20 0 DDADRL Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)n1 ZINC000776427227 698105951 /nfs/dbraw/zinc/10/59/51/698105951.db2.gz OUUVWGXNVAMANE-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL Cc1ccc(-c2nc(C)c(C(=O)[N-]n3c(=O)[n-][nH]c3=O)s2)o1 ZINC000816733229 702169072 /nfs/dbraw/zinc/16/90/72/702169072.db2.gz NXAKSXCDXWWETG-UHFFFAOYSA-N -2 0 321.318 1.407 20 0 DDADRL CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000817881693 702508222 /nfs/dbraw/zinc/50/82/22/702508222.db2.gz RPPDYUSYLLUOSL-VIFPVBQESA-N -2 0 308.334 1.726 20 0 DDADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)C1CCCCC1)C1CCCC1 ZINC000863954357 706045787 /nfs/dbraw/zinc/04/57/87/706045787.db2.gz WTCQQRNILWKYFX-GFCCVEGCSA-N -2 0 317.407 1.656 20 0 DDADRL CCc1ccccc1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCC1 ZINC000863959764 706046685 /nfs/dbraw/zinc/04/66/85/706046685.db2.gz BOWWWTPPIFOUHO-UHFFFAOYSA-N -2 0 311.359 1.309 20 0 DDADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)[C@H]1CC2CCC1CC2)C1CC1 ZINC000863963931 706047245 /nfs/dbraw/zinc/04/72/45/706047245.db2.gz KQIBHLPYEDTFEI-CHCPCTANSA-N -2 0 315.391 1.122 20 0 DDADRL O=C([O-])CC1(C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CCC1 ZINC000863963725 706047421 /nfs/dbraw/zinc/04/74/21/706047421.db2.gz FVMNTDKVUMJTSD-VWYCJHECSA-N -2 0 315.391 1.266 20 0 DDADRL O=C([O-])Cc1ccc(-n2[n-]c(C(F)(F)F)c(F)c2=O)cc1 ZINC000871961023 707256407 /nfs/dbraw/zinc/25/64/07/707256407.db2.gz DZEKMUKZSMVAHB-SECBINFHSA-N -2 0 304.199 1.917 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)C=C(C2CC2)C2CC2)C1 ZINC000910189376 709803882 /nfs/dbraw/zinc/80/38/82/709803882.db2.gz SGZFLHLUYBDTMQ-YPMHNXCESA-N -2 0 307.346 1.509 20 0 DDADRL Cc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])ccc1F ZINC000910189222 709804171 /nfs/dbraw/zinc/80/41/71/709804171.db2.gz REDVSFYWCHBBHT-PWSUYJOCSA-N -2 0 309.293 1.524 20 0 DDADRL C[C@H](CC1CCCC1)C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910191124 709805076 /nfs/dbraw/zinc/80/50/76/709805076.db2.gz XUJKUDMSYASCLD-RTXFEEFZSA-N -2 0 311.378 1.979 20 0 DDADRL CS(C)(=O)=NS(=O)(=O)[N-]c1ccc(F)c(F)c1[O-] ZINC000901675360 710116293 /nfs/dbraw/zinc/11/62/93/710116293.db2.gz OIJXUPUWSKBXMP-UHFFFAOYSA-N -2 0 300.308 1.055 20 0 DDADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F ZINC000905999213 712215875 /nfs/dbraw/zinc/21/58/75/712215875.db2.gz KYQNPRKLSUZCOA-SSDOTTSWSA-N -2 0 321.292 1.451 20 0 DDADRL C[C@@]1(F)CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC000906995062 712459013 /nfs/dbraw/zinc/45/90/13/712459013.db2.gz IOYFEBPQAUEGQF-CYBMUJFWSA-N -2 0 317.338 1.603 20 0 DDADRL CCc1ccc(C(C)(C)C(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001183513078 743849868 /nfs/dbraw/zinc/84/98/68/743849868.db2.gz UOXGPHUHFCCWQL-UHFFFAOYSA-N -2 0 315.306 1.752 20 0 DDADRL Cc1cc(C)c(NC(=O)c2ccncc2[O-])c(S(=O)(=O)[O-])c1 ZINC001188635902 744743626 /nfs/dbraw/zinc/74/36/26/744743626.db2.gz AGOIVXUOFBETGK-UHFFFAOYSA-N -2 0 322.342 1.903 20 0 DDADRL CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cc(F)cc(F)c1[O-] ZINC001193064763 745965698 /nfs/dbraw/zinc/96/56/98/745965698.db2.gz XQGHFSPUNCBUJC-UHFFFAOYSA-N -2 0 323.317 1.754 20 0 DDADRL O=P([O-])([O-])OCCNc1cccc(OCC(F)(F)F)n1 ZINC001168587644 751184610 /nfs/dbraw/zinc/18/46/10/751184610.db2.gz UAQXMDWIMRCWKR-UHFFFAOYSA-N -2 0 316.172 1.544 20 0 DDADRL CC(C)(C)NC(=O)c1cccnc1NCCOP(=O)([O-])[O-] ZINC001168587937 751188699 /nfs/dbraw/zinc/18/86/99/751188699.db2.gz WCKTUSUWOZSOFP-UHFFFAOYSA-N -2 0 317.282 1.131 20 0 DDADRL CCn1cnc2c1nc(Cl)nc2NCCOP(=O)([O-])[O-] ZINC001168589362 751200565 /nfs/dbraw/zinc/20/05/65/751200565.db2.gz IFPZZEZHAFDYKJ-UHFFFAOYSA-N -2 0 321.661 1.021 20 0 DDADRL O=P([O-])([O-])OCCNc1ncnc2c(Cl)nccc12 ZINC001168589336 751200678 /nfs/dbraw/zinc/20/06/78/751200678.db2.gz HDMHFQHIQFXQPM-UHFFFAOYSA-N -2 0 304.630 1.199 20 0 DDADRL CN(C)C(=O)Sc1ccc(NCCOP(=O)([O-])[O-])nc1 ZINC001168590910 751214015 /nfs/dbraw/zinc/21/40/15/751214015.db2.gz BHVXERQHOJZDHT-UHFFFAOYSA-N -2 0 321.295 1.377 20 0 DDADRL O=P([O-])([O-])OCCNc1ccc(C2N=NC(=S)O2)cc1 ZINC001168592282 751227382 /nfs/dbraw/zinc/22/73/82/751227382.db2.gz PPBWCJXOFINFPZ-UHFFFAOYSA-N -2 0 317.263 1.547 20 0 DDADRL NC(=O)c1ncsc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176239279 778089646 /nfs/dbraw/zinc/08/96/46/778089646.db2.gz NZGXSZVFXIVAPI-UHFFFAOYSA-N -2 0 307.287 1.382 20 0 DDADRL Cc1cc(Cl)nc(C(F)(F)NCCOP(=O)([O-])[O-])n1 ZINC001157787999 864139575 /nfs/dbraw/zinc/13/95/75/864139575.db2.gz VNLRHOKAVVOFCP-UHFFFAOYSA-N -2 0 317.616 1.187 20 0 DDADRL COc1ccc2nc(NCCOP(=O)([O-])[O-])c(C)nc2c1 ZINC001157795441 864149458 /nfs/dbraw/zinc/14/94/58/864149458.db2.gz DALWWRFTEVHXPO-UHFFFAOYSA-N -2 0 313.250 1.468 20 0 DDADRL O=C(NCc1nc(=O)o[n-]1)c1c(O)cnc2ccc(Cl)cc21 ZINC001321426521 867584667 /nfs/dbraw/zinc/58/46/67/867584667.db2.gz JHKSWBXRMPYXGI-UHFFFAOYSA-N -2 0 320.692 1.200 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cncc(N)c2)cc(C)c1C(=O)[O-] ZINC001216309464 876916893 /nfs/dbraw/zinc/91/68/93/876916893.db2.gz XIAKCBNZOFGLHW-UHFFFAOYSA-N -2 0 321.358 1.780 20 0 DDADRL C[C@@H](CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000315388736 879063295 /nfs/dbraw/zinc/06/32/95/879063295.db2.gz SHVPZKLHWJEEIJ-ZETCQYMHSA-N -2 0 320.298 1.123 20 0 DDADRL CCCc1cccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001228448437 883504362 /nfs/dbraw/zinc/50/43/62/883504362.db2.gz IQLZWXOHOBMACZ-DGCLKSJQSA-N -2 0 310.302 1.081 20 0 DDADRL Cn1[n-]c(C(=O)Nc2nccc(Br)c2[O-])cc1=O ZINC001363493225 886482294 /nfs/dbraw/zinc/48/22/94/886482294.db2.gz BXSMRHZFZREVNZ-UHFFFAOYSA-N -2 0 313.111 1.241 20 0 DDADRL CO[C@H](C)CO[C@H](C)COc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234337259 887882214 /nfs/dbraw/zinc/88/22/14/887882214.db2.gz YRPUTLIUPKGXNT-GHMZBOCLSA-N -2 0 320.278 1.977 20 0 DDADRL O=C([O-])c1cncc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)c1 ZINC001241804301 891273775 /nfs/dbraw/zinc/27/37/75/891273775.db2.gz NAXMNGFHEVFHNC-UHFFFAOYSA-N -2 0 319.298 1.271 20 0 DDADRL COC(=O)c1cc(-c2ccc(P(=O)([O-])[O-])cc2)ccc1OC ZINC001244751418 891903481 /nfs/dbraw/zinc/90/34/81/891903481.db2.gz VYFKNVIPNFJBNT-UHFFFAOYSA-N -2 0 322.253 1.952 20 0 DDADRL O=S(=O)([O-])c1cccc([N-]S(=O)(=O)CC(F)(F)F)c1 ZINC001253176551 895685017 /nfs/dbraw/zinc/68/50/17/895685017.db2.gz NGECWKODLRPIQL-UHFFFAOYSA-N -2 0 319.282 1.237 20 0 DDADRL C[C@@H]1C[C@@H]1c1nnc(-c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)o1 ZINC001256746557 897568289 /nfs/dbraw/zinc/56/82/89/897568289.db2.gz HTUYVVYNTVCFLC-LDWIPMOCSA-N -2 0 324.314 1.805 20 0 DDADRL Cc1ncc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c(C)n1 ZINC001260393201 899134643 /nfs/dbraw/zinc/13/46/43/899134643.db2.gz BTLNWJUKOKATAL-UHFFFAOYSA-N -2 0 323.330 1.298 20 0 DDADRL CC(C)[C@H](CNC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)C(=O)[O-] ZINC000626774632 367740269 /nfs/dbraw/zinc/74/02/69/367740269.db2.gz KKLIGTKMMXRSEM-VWYCJHECSA-N -2 0 300.355 1.095 20 0 DDADRL O=C([O-])c1cccc([N-]S(=O)(=O)[C@H]2CCCOC2)c1O ZINC000274877411 212002197 /nfs/dbraw/zinc/00/21/97/212002197.db2.gz BYNITZIFKOXTDO-QMMMGPOBSA-N -2 0 301.320 1.011 20 0 DDADRL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000006975335 248174384 /nfs/dbraw/zinc/17/43/84/248174384.db2.gz WBBSPKCKHJVZRH-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c(=O)[nH]1 ZINC000359643083 299505480 /nfs/dbraw/zinc/50/54/80/299505480.db2.gz UKDKDADSJJVPKE-UHFFFAOYSA-N -2 0 324.314 1.300 20 0 DDADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2ccon2)cc1 ZINC000061685334 184182190 /nfs/dbraw/zinc/18/21/90/184182190.db2.gz UOFUSOGFWOPBCA-UHFFFAOYSA-N -2 0 312.303 1.329 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1C(=O)[O-] ZINC000352457382 285063023 /nfs/dbraw/zinc/06/30/23/285063023.db2.gz XHTPZPQLNOPGIV-UHFFFAOYSA-N -3 0 324.314 1.222 20 0 DDADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]OCc1cccnc1 ZINC000277476476 408948227 /nfs/dbraw/zinc/94/82/27/408948227.db2.gz ZPYABMHIQRAIRY-UHFFFAOYSA-N -2 0 305.256 1.087 20 0 DDADRL Cn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)n1 ZINC000312330104 164008259 /nfs/dbraw/zinc/00/82/59/164008259.db2.gz ZIUZDKXSVSFTDF-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1 ZINC000315783861 164019900 /nfs/dbraw/zinc/01/99/00/164019900.db2.gz XLIVFASKTJJANN-UHFFFAOYSA-N -2 0 324.314 1.186 20 0 DDADRL Cc1noc(C)c1[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000647922877 423119130 /nfs/dbraw/zinc/11/91/30/423119130.db2.gz PANQNJRZQZGQER-UHFFFAOYSA-N -2 0 310.331 1.932 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000547876050 421376194 /nfs/dbraw/zinc/37/61/94/421376194.db2.gz AVNJUSWARRGTJE-CIUDSAMLSA-N -2 0 317.329 1.748 20 0 DDADRL CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)[C@@H]1CCCO1 ZINC000563068681 421450915 /nfs/dbraw/zinc/45/09/15/421450915.db2.gz PITVJLBXDAZWPO-ZJUUUORDSA-N -2 0 303.336 1.214 20 0 DDADRL O=C([O-])[C@@]1(CN=c2nc(C3CCCC3)[n-]s2)CCCOC1 ZINC000630462209 422115639 /nfs/dbraw/zinc/11/56/39/422115639.db2.gz ADWKQPJSDYDVSD-CQSZACIVSA-N -2 0 311.407 1.911 20 0 DDADRL COC(C)(C)c1nc(=NC(=O)c2c([O-])cccc2F)s[n-]1 ZINC000634152170 422290858 /nfs/dbraw/zinc/29/08/58/422290858.db2.gz XTIOOMXHNWLESK-UHFFFAOYSA-N -2 0 311.338 1.939 20 0 DDADRL CCc1ccccc1-n1cc([O-])c(C(=O)NCCC(=O)[O-])n1 ZINC000575401385 422296810 /nfs/dbraw/zinc/29/68/10/422296810.db2.gz WUNVVLHVRSMZIB-UHFFFAOYSA-N -2 0 303.318 1.345 20 0 DDADRL C[C@@](CNC(=O)N1CC[C@@H](C(=O)[O-])C1)(C(=O)[O-])c1ccccc1 ZINC000652116297 423875035 /nfs/dbraw/zinc/87/50/35/423875035.db2.gz QSTMJHRGFMEBCG-BZNIZROVSA-N -2 0 320.345 1.145 20 0 DDADRL O=C([O-])COc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000659762648 424230390 /nfs/dbraw/zinc/23/03/90/424230390.db2.gz NQXANJCTUFUHMX-UHFFFAOYSA-N -2 0 307.302 1.087 20 0 DDADRL COC(=O)[C@H](C)CS(=O)(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000362435398 300062526 /nfs/dbraw/zinc/06/25/26/300062526.db2.gz SJHWWERKFJWEKG-SSDOTTSWSA-N -2 0 319.310 1.075 20 0 DDADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000356470414 306852367 /nfs/dbraw/zinc/85/23/67/306852367.db2.gz VUOJQGGYJAQVBA-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL CN(CC(C)(C)C)C(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000548876271 303595282 /nfs/dbraw/zinc/59/52/82/303595282.db2.gz VKWRUYWBQFSCGT-CQSZACIVSA-N -2 0 300.355 1.336 20 0 DDADRL O=C([O-])CCN(C(=O)c1cccc(C(=O)[O-])c1)C1CCOCC1 ZINC000563143727 307958300 /nfs/dbraw/zinc/95/83/00/307958300.db2.gz RCFLJRLWUHPYLR-UHFFFAOYSA-N -2 0 321.329 1.481 20 0 DDADRL CCCc1nc(=NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)s[n-]1 ZINC000583801658 337334818 /nfs/dbraw/zinc/33/48/18/337334818.db2.gz BPRPOFDFKOJZTD-VIFPVBQESA-N -2 0 312.395 1.631 20 0 DDADRL C[C@@](CNC(=O)[C@]1(C(=O)[O-])CC1(C)C)(C(=O)[O-])c1ccccc1 ZINC000663121024 484685086 /nfs/dbraw/zinc/68/50/86/484685086.db2.gz WCLSCXWHMXDGIO-IRXDYDNUSA-N -2 0 319.357 1.646 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000666567153 485274969 /nfs/dbraw/zinc/27/49/69/485274969.db2.gz JLFZDQQSICLCFI-UHFFFAOYSA-N -2 0 306.318 1.391 20 0 DDADRL CCCc1n[n-]c(=NC(=O)NCCC(C)(C)C(=O)[O-])s1 ZINC000424477703 528679040 /nfs/dbraw/zinc/67/90/40/528679040.db2.gz WJVHAWKISKSUFL-UHFFFAOYSA-N -2 0 300.384 1.535 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)s1 ZINC000738655285 599739303 /nfs/dbraw/zinc/73/93/03/599739303.db2.gz OZZCQKBHROFYSZ-UHFFFAOYSA-N -2 0 301.349 1.138 20 0 DDADRL O=C([O-])Cc1csc([N-]S(=O)(=O)/C=C/c2ccccc2)n1 ZINC000037461852 600050741 /nfs/dbraw/zinc/05/07/41/600050741.db2.gz ZUPDNBGFELPEEC-VOTSOKGWSA-N -2 0 324.383 2.183 20 0 DDADRL CCC[C@](C)(NC(=O)c1nnc2ccccc2c1O)C(=O)[O-] ZINC000236848707 600175018 /nfs/dbraw/zinc/17/50/18/600175018.db2.gz PNGQGELCVWDYMN-HNNXBMFYSA-N -2 0 303.318 1.296 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)/C=C\c1cccs1 ZINC000739696040 600461143 /nfs/dbraw/zinc/46/11/43/600461143.db2.gz WIVCYZRROQGWAD-WAYWQWQTSA-N -2 0 303.361 1.072 20 0 DDADRL C[C@@H]1CCCC[C@H]1CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736783223 600462879 /nfs/dbraw/zinc/46/28/79/600462879.db2.gz XIPBGCGURALFCV-MNOVXSKESA-N -2 0 305.396 1.514 20 0 DDADRL C[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1cccs1 ZINC000736217201 600510403 /nfs/dbraw/zinc/51/04/03/600510403.db2.gz WYFKBLOTDLNHEJ-QMMMGPOBSA-N -2 0 305.377 1.162 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)CCSCC(=O)[O-] ZINC000736965762 600520190 /nfs/dbraw/zinc/52/01/90/600520190.db2.gz UFERGDKEEMHYMQ-VIFPVBQESA-N -2 0 311.425 1.077 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)ccc1F ZINC000738478436 600529879 /nfs/dbraw/zinc/52/98/79/600529879.db2.gz QZPLTGBCPBKKOC-UHFFFAOYSA-N -2 0 313.310 1.216 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c(C)s1 ZINC000038030414 600530530 /nfs/dbraw/zinc/53/05/30/600530530.db2.gz JMDRHAFQLJLWNG-UHFFFAOYSA-N -2 0 315.376 1.447 20 0 DDADRL Cc1csc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC000070156734 600974079 /nfs/dbraw/zinc/97/40/79/600974079.db2.gz ADTSREUNCNYLFX-UHFFFAOYSA-N -2 0 304.374 2.012 20 0 DDADRL Cc1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c(F)c1 ZINC000832913601 601142348 /nfs/dbraw/zinc/14/23/48/601142348.db2.gz LIAZDJKQSXWXHQ-UHFFFAOYSA-N -2 0 303.311 1.059 20 0 DDADRL Cc1cc(F)cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1 ZINC000832887770 601326582 /nfs/dbraw/zinc/32/65/82/601326582.db2.gz FOMFNAMIAJXDTQ-UHFFFAOYSA-N -2 0 313.310 1.216 20 0 DDADRL C[C@H](Sc1ccccc1C(=O)NCc1n[nH]c(=O)[n-]1)C(=O)[O-] ZINC000827916949 601391090 /nfs/dbraw/zinc/39/10/90/601391090.db2.gz XTUOJHGJYHPKCB-ZETCQYMHSA-N -2 0 322.346 1.006 20 0 DDADRL Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000832866585 601613305 /nfs/dbraw/zinc/61/33/05/601613305.db2.gz MWQCMBAYEVUSEU-MRVPVSSYSA-N -2 0 301.320 1.156 20 0 DDADRL O=C([O-])NC[C@H]1CCN(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC000740644156 602035130 /nfs/dbraw/zinc/03/51/30/602035130.db2.gz PSIGEUVZMOIIMW-SSDOTTSWSA-N -2 0 300.261 1.400 20 0 DDADRL O=C([O-])Nc1cccc(C(=O)[N-]S(=O)(=O)c2ccccn2)c1 ZINC000740032658 602950144 /nfs/dbraw/zinc/95/01/44/602950144.db2.gz DUJWGPPTTUAZHV-UHFFFAOYSA-N -2 0 321.314 1.290 20 0 DDADRL C[C@H](CCNC(=O)c1ccc2[n-]c(=S)oc2c1)NC(=O)[O-] ZINC000824804160 603720874 /nfs/dbraw/zinc/72/08/74/603720874.db2.gz WBFYADYZYZVWHE-SSDOTTSWSA-N -2 0 309.347 1.893 20 0 DDADRL Cc1ccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)cc1NC(=O)[O-] ZINC000830217268 603941842 /nfs/dbraw/zinc/94/18/42/603941842.db2.gz VBSGCIGNAIYRRT-UHFFFAOYSA-N -2 0 319.321 1.271 20 0 DDADRL Cn1cnc(S(=O)(=O)[N-]c2cccc3c2CCN3C(=O)[O-])c1 ZINC000831041701 604015174 /nfs/dbraw/zinc/01/51/74/604015174.db2.gz XVGHGQXFGDVXES-UHFFFAOYSA-N -2 0 322.346 1.261 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])nc1C ZINC000833683357 604509812 /nfs/dbraw/zinc/50/98/12/604509812.db2.gz NHXDBBKJBHJYOV-UHFFFAOYSA-N -2 0 316.364 1.167 20 0 DDADRL O=C([O-])C1CCC(C(=O)[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000833772254 605118361 /nfs/dbraw/zinc/11/83/61/605118361.db2.gz MSSPQZWIFZDZGE-UHFFFAOYSA-N -2 0 311.359 1.383 20 0 DDADRL O=C([O-])N[C@H]1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000832381117 605130431 /nfs/dbraw/zinc/13/04/31/605130431.db2.gz AWMXLKRTBRXBEJ-QMMMGPOBSA-N -2 0 307.331 1.599 20 0 DDADRL CCC[C@@H](NC(=O)c1ccc(NC(=O)[O-])c(C)c1)c1nnn[n-]1 ZINC000826764903 605440703 /nfs/dbraw/zinc/44/07/03/605440703.db2.gz MEMDKTLADBUMPK-LLVKDONJSA-N -2 0 318.337 1.869 20 0 DDADRL C[C@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833607886 605483324 /nfs/dbraw/zinc/48/33/24/605483324.db2.gz ICPVENWASRBVFP-YUMQZZPRSA-N -2 0 317.388 1.687 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)o1 ZINC000834249036 606028960 /nfs/dbraw/zinc/02/89/60/606028960.db2.gz MZYIJNDEBHZBSN-UHFFFAOYSA-N -2 0 318.285 1.675 20 0 DDADRL O=C([O-])CCN(Cc1ccccc1)C(=O)CC1CN(C(=O)[O-])C1 ZINC000834058859 606029404 /nfs/dbraw/zinc/02/94/04/606029404.db2.gz FNMBNPFVJMOWIA-UHFFFAOYSA-N -2 0 320.345 1.490 20 0 DDADRL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000833988168 606029657 /nfs/dbraw/zinc/02/96/57/606029657.db2.gz OODLKMAPPGCUNR-QWHCGFSZSA-N -2 0 320.345 1.331 20 0 DDADRL O=C([O-])NCCCC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21 ZINC000834229378 606050616 /nfs/dbraw/zinc/05/06/16/606050616.db2.gz GQWODDFQLORKJA-HNNXBMFYSA-N -2 0 306.318 1.077 20 0 DDADRL O=C([O-])[C@@H](CNC(=O)[C@H]1CCN(C(=O)[O-])C1)Cc1ccccc1 ZINC000834058891 606058109 /nfs/dbraw/zinc/05/81/09/606058109.db2.gz PFLAJMZHJHTNRW-QWHCGFSZSA-N -2 0 320.345 1.046 20 0 DDADRL Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[O-])cc1C(=O)[O-] ZINC000833905328 606064277 /nfs/dbraw/zinc/06/42/77/606064277.db2.gz NNUUAIKRPWZUDE-JTQLQIEISA-N -2 0 310.331 1.685 20 0 DDADRL O=C([O-])[C@H](CNC(=O)CN(CC1CC1)C(=O)[O-])c1ccccc1 ZINC000834005090 606065250 /nfs/dbraw/zinc/06/52/50/606065250.db2.gz AGAOHKJLHDLUEM-CYBMUJFWSA-N -2 0 320.345 1.361 20 0 DDADRL O=C([O-])N[C@H]1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000834171029 606066916 /nfs/dbraw/zinc/06/69/16/606066916.db2.gz CHOQKEFNODJLTI-SCZZXKLOSA-N -2 0 310.281 1.899 20 0 DDADRL O=C([O-])[C@H](NC(=O)[C@H]1CCN(C(=O)[O-])C1)c1ccccc1F ZINC000834015227 606068014 /nfs/dbraw/zinc/06/80/14/606068014.db2.gz PABNSFXXBRNZHM-GZMMTYOYSA-N -2 0 310.281 1.068 20 0 DDADRL CC(C)CS(=O)(=O)[N-]C(=O)Cc1ccccc1NC(=O)[O-] ZINC000833795942 606090304 /nfs/dbraw/zinc/09/03/04/606090304.db2.gz BCXLPZOVYPQACK-UHFFFAOYSA-N -2 0 314.363 1.421 20 0 DDADRL O=C([O-])N[C@@H](CCC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000834138344 606112787 /nfs/dbraw/zinc/11/27/87/606112787.db2.gz UCIRUMJLZMGWSB-OLZOCXBDSA-N -2 0 320.345 1.709 20 0 DDADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC000842695018 702758093 /nfs/dbraw/zinc/75/80/93/702758093.db2.gz PMVGWTUARVVILH-AXFHLTTASA-N -2 0 322.365 1.107 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)CCc1ccccc1 ZINC000863954342 706045334 /nfs/dbraw/zinc/04/53/34/706045334.db2.gz WLGFOEANYDRYEW-GFCCVEGCSA-N -2 0 313.375 1.032 20 0 DDADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000863959662 706046494 /nfs/dbraw/zinc/04/64/94/706046494.db2.gz MUFMMXXRWABFNZ-UHFFFAOYSA-N -2 0 321.301 1.415 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C)c(C)o1 ZINC000863957713 706046779 /nfs/dbraw/zinc/04/67/79/706046779.db2.gz FLFTZUYYZYRHAU-JTQLQIEISA-N -2 0 317.363 1.448 20 0 DDADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1cc2ccccc2o1)C1CC1 ZINC000863964119 706047254 /nfs/dbraw/zinc/04/72/54/706047254.db2.gz FEOYHQXRNDMHJB-LBPRGKRZSA-N -2 0 323.326 1.349 20 0 DDADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000863964615 706047881 /nfs/dbraw/zinc/04/78/81/706047881.db2.gz XTOKKVSALZZHLV-VPOLOUISSA-N -2 0 317.407 1.368 20 0 DDADRL Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1C ZINC000910185987 709801938 /nfs/dbraw/zinc/80/19/38/709801938.db2.gz LOKMMAOSXIBYED-STQMWFEESA-N -2 0 305.330 1.693 20 0 DDADRL CCc1ccc(F)cc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910185461 709801985 /nfs/dbraw/zinc/80/19/85/709801985.db2.gz ZVUBNYSLSJUMMP-GXFFZTMASA-N -2 0 323.320 1.778 20 0 DDADRL C[C@@H]1CCCC[C@@H]1CC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910190968 709805066 /nfs/dbraw/zinc/80/50/66/709805066.db2.gz GWJJLOYCEOLDQO-FVCCEPFGSA-N -2 0 311.378 1.979 20 0 DDADRL Cc1ccc(C)c(CC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910191296 709805335 /nfs/dbraw/zinc/80/53/35/709805335.db2.gz ZVJBPTYOYMHKQG-TZMCWYRMSA-N -2 0 319.357 1.622 20 0 DDADRL COc1ccccc1CO[N-]C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1 ZINC000911806601 711004450 /nfs/dbraw/zinc/00/44/50/711004450.db2.gz ULNPRWRBUUKMKY-XDTLVQLUSA-N -2 0 309.318 1.121 20 0 DDADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000906000429 712216590 /nfs/dbraw/zinc/21/65/90/712216590.db2.gz XOUGXFKRJDSSLL-UHFFFAOYSA-N -2 0 315.244 1.104 20 0 DDADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000906000465 712216706 /nfs/dbraw/zinc/21/67/06/712216706.db2.gz ZHDUFVOZAGPYDB-NXEZZACHSA-N -2 0 323.292 1.321 20 0 DDADRL C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)c2cccc(Cl)c2[O-])C1 ZINC000906788856 712411752 /nfs/dbraw/zinc/41/17/52/712411752.db2.gz QETRTWQUEMLDJR-SSDOTTSWSA-N -2 0 319.766 1.387 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC000923104785 714238384 /nfs/dbraw/zinc/23/83/84/714238384.db2.gz YSSJFEYDMZAIEG-NZEXEKPDSA-N -2 0 309.362 1.589 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])Nc1ccc(F)c(F)c1F ZINC001185349896 744203912 /nfs/dbraw/zinc/20/39/12/744203912.db2.gz VBIABEIJJLOROT-UHFFFAOYSA-N -2 0 314.156 1.335 20 0 DDADRL CC[C@@H](C)NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189932310 745055797 /nfs/dbraw/zinc/05/57/97/745055797.db2.gz AIWFHJCUBXFBMP-SSDOTTSWSA-N -2 0 301.320 1.160 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnns2)c(F)cc1F ZINC001195194519 746547204 /nfs/dbraw/zinc/54/72/04/746547204.db2.gz GFUABOAZFOERSV-UHFFFAOYSA-N -2 0 321.286 1.315 20 0 DDADRL O=C(N[C@H]1SC(=O)[N-]C1=O)c1cc(Cl)c(F)cc1[O-] ZINC001196468341 746868688 /nfs/dbraw/zinc/86/86/88/746868688.db2.gz YANHOOHXFCNMBA-VIFPVBQESA-N -2 0 304.686 1.224 20 0 DDADRL COc1nc(NC(=S)Nc2ccc(C(=O)[O-])cc2)cc(=O)[n-]1 ZINC001197074767 747055870 /nfs/dbraw/zinc/05/58/70/747055870.db2.gz CSAKONJOCVFMGH-UHFFFAOYSA-N -2 0 320.330 1.698 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(Cl)nc2cc(F)ccc21 ZINC001168587271 751182020 /nfs/dbraw/zinc/18/20/20/751182020.db2.gz PXJWOKIRNHQOPZ-UHFFFAOYSA-N -2 0 321.632 1.944 20 0 DDADRL CCc1noc(-c2ccnc(NCCOP(=O)([O-])[O-])c2)n1 ZINC001168590190 751207525 /nfs/dbraw/zinc/20/75/25/751207525.db2.gz VANLYJKPAQQGRI-UHFFFAOYSA-N -2 0 314.238 1.215 20 0 DDADRL COC(=O)[C@H](Nc1ccc(P(=O)([O-])[O-])cc1)C(F)(F)F ZINC001171014016 772099520 /nfs/dbraw/zinc/09/95/20/772099520.db2.gz DCKBKVLXVLUHTL-QMMMGPOBSA-N -2 0 313.168 1.005 20 0 DDADRL COc1nc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc(=O)[n-]1 ZINC001176237055 778088137 /nfs/dbraw/zinc/08/81/37/778088137.db2.gz VBCINHZNSDWXKI-UHFFFAOYSA-N -3 0 305.246 1.331 20 0 DDADRL NC(=O)c1ccc(F)nc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237872 778088530 /nfs/dbraw/zinc/08/85/30/778088530.db2.gz DJNUIGFPTMMFKP-UHFFFAOYSA-N -2 0 319.248 1.460 20 0 DDADRL CC(C)c1ccccc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001228280694 844242333 /nfs/dbraw/zinc/24/23/33/844242333.db2.gz IKNWOHVFAROHMR-SNVBAGLBSA-N -2 0 304.235 1.186 20 0 DDADRL CC(C)(C)c1cccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1 ZINC001225244004 881738017 /nfs/dbraw/zinc/73/80/17/881738017.db2.gz OKGPFHMFNVELBU-LLVKDONJSA-N -2 0 318.262 1.360 20 0 DDADRL CN(Cc1nc(=O)o[n-]1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC001362840577 884769865 /nfs/dbraw/zinc/76/98/65/884769865.db2.gz MMIVDEVMVONDLX-UHFFFAOYSA-N -2 0 301.661 1.133 20 0 DDADRL O=P([O-])([O-])Oc1ccc(O[C@H]2CO[C@H]3OCC[C@@H]23)cc1 ZINC001234332322 887869417 /nfs/dbraw/zinc/86/94/17/887869417.db2.gz NYMGTBADDGYESS-SDDRHHMPSA-N -2 0 302.219 1.298 20 0 DDADRL CCOC(=O)c1nccnc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242159417 891354508 /nfs/dbraw/zinc/35/45/08/891354508.db2.gz OAAYSIXKGOZGMA-UHFFFAOYSA-N -2 0 316.269 1.717 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc3c2CC(=O)NC3)c1 ZINC001242163913 891358410 /nfs/dbraw/zinc/35/84/10/891358410.db2.gz ROZKVEMTFUWMAA-UHFFFAOYSA-N -2 0 311.293 1.922 20 0 DDADRL O=C([O-])c1cccc(-c2ccc3c(c2)C(=O)[N-]S3(=O)=O)c1F ZINC001242380574 891404353 /nfs/dbraw/zinc/40/43/53/891404353.db2.gz OLKDMCMVNRYOPT-UHFFFAOYSA-N -2 0 321.285 1.623 20 0 DDADRL CCOc1ccncc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184105 899076446 /nfs/dbraw/zinc/07/64/46/899076446.db2.gz SPEQCARDRDQCKY-UHFFFAOYSA-N -2 0 322.342 1.979 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccnn2CCF)c1 ZINC001260184731 899078832 /nfs/dbraw/zinc/07/88/32/899078832.db2.gz ZLLOLDMQALKSPP-UHFFFAOYSA-N -2 0 313.310 1.352 20 0 DDADRL COc1nc(C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260221197 899094419 /nfs/dbraw/zinc/09/44/19/899094419.db2.gz CCWZHHNLYWDILX-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL Cc1cnc(C)c([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n1 ZINC001260391760 899132249 /nfs/dbraw/zinc/13/22/49/899132249.db2.gz RTEVUMKQYIYCKK-UHFFFAOYSA-N -2 0 323.330 1.298 20 0 DDADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000079701198 191962921 /nfs/dbraw/zinc/96/29/21/191962921.db2.gz QUWWDIGQDWTNDE-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cn(C)nn1 ZINC000359557818 299479584 /nfs/dbraw/zinc/47/95/84/299479584.db2.gz DJSADTTZXXYNLP-UHFFFAOYSA-N -2 0 324.362 1.438 20 0 DDADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000062946999 184262104 /nfs/dbraw/zinc/26/21/04/184262104.db2.gz IBQYTYUQTKMDBF-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL CC(C)Oc1ccc(=NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)[n-]n1 ZINC000567879412 304250945 /nfs/dbraw/zinc/25/09/45/304250945.db2.gz SNJJYRRHVXDECR-WDEREUQCSA-N -2 0 322.365 1.260 20 0 DDADRL CCCS(=O)(=O)[N-]c1ccccc1C(=O)NCCC(=O)[O-] ZINC000262241848 407772902 /nfs/dbraw/zinc/77/29/02/407772902.db2.gz OTQIUVNRPLTUNM-UHFFFAOYSA-N -2 0 314.363 1.043 20 0 DDADRL COc1ccc(Cl)c(S(=O)(=O)NCCCCC(=O)[O-])c1 ZINC000274872979 408563648 /nfs/dbraw/zinc/56/36/48/408563648.db2.gz BCRJCORRVXEUEN-UHFFFAOYSA-N -2 0 321.782 1.882 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cnn1C ZINC000362430801 164157291 /nfs/dbraw/zinc/15/72/91/164157291.db2.gz POCXCTZUKHIIKT-UHFFFAOYSA-N -2 0 323.374 1.547 20 0 DDADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2ncc[nH]2)cc1 ZINC000647923984 423118390 /nfs/dbraw/zinc/11/83/90/423118390.db2.gz QCMHFZRZWUHGMY-UHFFFAOYSA-N -2 0 309.347 1.618 20 0 DDADRL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1F)CC1CC1 ZINC000405682308 418776258 /nfs/dbraw/zinc/77/62/58/418776258.db2.gz MLEWRCBPRAVULP-SECBINFHSA-N -2 0 319.329 1.744 20 0 DDADRL Cc1cc(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)on1 ZINC000548521600 421447915 /nfs/dbraw/zinc/44/79/15/421447915.db2.gz VQCQNCGMLUJFQH-UHFFFAOYSA-N -2 0 312.303 1.329 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CC1CCCC1)C(=O)[O-] ZINC000548541140 421448721 /nfs/dbraw/zinc/44/87/21/421448721.db2.gz WZCFLHUEKYIQTK-IONNQARKSA-N -2 0 317.329 1.890 20 0 DDADRL COC(=O)c1ccc(O)c(NC(=O)c2cccc3n[nH]nc32)c1 ZINC000514740089 421451230 /nfs/dbraw/zinc/45/12/30/421451230.db2.gz KDTDWAYDANRBOQ-UHFFFAOYSA-N -2 0 312.285 1.702 20 0 DDADRL CC(C)(C)c1nc(=NCCc2ccc(OCC(=O)[O-])cc2)[n-]o1 ZINC000564216433 421575649 /nfs/dbraw/zinc/57/56/49/421575649.db2.gz UXEBDIXWAHQPRE-UHFFFAOYSA-N -2 0 319.361 1.907 20 0 DDADRL O=C([O-])C1CCC(N=c2[n-]nc(C3CCOCC3)s2)CC1 ZINC000582170306 422122063 /nfs/dbraw/zinc/12/20/63/422122063.db2.gz SAOIIMNZBCOVIW-UHFFFAOYSA-N -2 0 311.407 1.909 20 0 DDADRL COC(C)(C)c1nc(=NC(=O)c2cc(F)ccc2[O-])s[n-]1 ZINC000634151396 422289364 /nfs/dbraw/zinc/28/93/64/422289364.db2.gz ANGKLPAEZJFVJU-UHFFFAOYSA-N -2 0 311.338 1.939 20 0 DDADRL O=C([O-])C1(CN=c2[n-]nc(-c3ccccn3)s2)CCOCC1 ZINC000647458210 424042201 /nfs/dbraw/zinc/04/22/01/424042201.db2.gz YECVOPWSLCDSMN-UHFFFAOYSA-N -2 0 320.374 1.315 20 0 DDADRL C[C@](CNC(=O)CCCCC(=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000655556894 424563646 /nfs/dbraw/zinc/56/36/46/424563646.db2.gz PYHAQGZTFFNWBE-MRXNPFEDSA-N -2 0 307.346 1.790 20 0 DDADRL CC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1 ZINC000536686792 303368295 /nfs/dbraw/zinc/36/82/95/303368295.db2.gz QFBJTNJWMLOFGR-UHFFFAOYSA-N -2 0 323.330 1.122 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000548576660 307776971 /nfs/dbraw/zinc/77/69/71/307776971.db2.gz QCCVCXKBWMDEHE-MFKMUULPSA-N -2 0 321.395 1.004 20 0 DDADRL CO[C@@H](CS(=O)(=O)[N-]c1cc(C(C)=O)ccc1[O-])C1CC1 ZINC000564729881 308004126 /nfs/dbraw/zinc/00/41/26/308004126.db2.gz VIVWEZQDHSGNIB-AWEZNQCLSA-N -2 0 313.375 1.762 20 0 DDADRL O=C([O-])[C@@H]1CN(C(=O)C2(C(=O)[O-])CCC2)Cc2ccccc21 ZINC000663133531 484694138 /nfs/dbraw/zinc/69/41/38/484694138.db2.gz RWRSXXDXUNZVCE-GFCCVEGCSA-N -2 0 303.314 1.452 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nn(C)cc1C ZINC000663267062 484774127 /nfs/dbraw/zinc/77/41/27/484774127.db2.gz XBBPRCNXEVLSJX-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL CC(C)C[C@@H](CNC(=O)N=c1ncn(C(C)(C)C)[n-]1)C(=O)[O-] ZINC000424377910 528322064 /nfs/dbraw/zinc/32/20/64/528322064.db2.gz FHDPCPQKOWCDMI-JTQLQIEISA-N -2 0 311.386 1.323 20 0 DDADRL CCC(CC)(CNC(=O)N=c1nc(SC)[n-]s1)C(=O)[O-] ZINC000424382278 528672504 /nfs/dbraw/zinc/67/25/04/528672504.db2.gz NYNPCJLZMKIIMU-UHFFFAOYSA-N -2 0 318.424 1.694 20 0 DDADRL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-])c1 ZINC000738577497 599797099 /nfs/dbraw/zinc/79/70/99/599797099.db2.gz YGANJETXDYUGEQ-UHFFFAOYSA-N -2 0 314.363 1.156 20 0 DDADRL COc1ccc(C(=O)[O-])c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000737932695 600018969 /nfs/dbraw/zinc/01/89/69/600018969.db2.gz XUQQBBAZUCNOHH-WDEREUQCSA-N -2 0 319.313 1.999 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1nccc2ccccc21 ZINC000739696143 600464751 /nfs/dbraw/zinc/46/47/51/600464751.db2.gz GESGHHGWJLELKX-UHFFFAOYSA-N -2 0 322.342 1.159 20 0 DDADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2ccc(Cl)s2)cn1 ZINC000038030468 600528935 /nfs/dbraw/zinc/52/89/35/600528935.db2.gz PWJXIFVVVAFSBZ-UHFFFAOYSA-N -2 0 321.767 1.483 20 0 DDADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cn1 ZINC000035651644 600673017 /nfs/dbraw/zinc/67/30/17/600673017.db2.gz JQHNUJXUHUQHAI-UHFFFAOYSA-N -2 0 315.738 1.422 20 0 DDADRL CCc1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)s1 ZINC000830298765 600985168 /nfs/dbraw/zinc/98/51/68/600985168.db2.gz DFLVNCOVSNEALV-UHFFFAOYSA-N -2 0 302.333 1.798 20 0 DDADRL Cc1oc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)cc1C(=O)[O-] ZINC000833029866 601233308 /nfs/dbraw/zinc/23/33/08/601233308.db2.gz NJDDTOQSKOJVGH-UHFFFAOYSA-N -2 0 321.314 1.963 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000833346921 601831536 /nfs/dbraw/zinc/83/15/36/601831536.db2.gz XCXCMLSIGQPZLT-UHFFFAOYSA-N -2 0 324.343 1.518 20 0 DDADRL C[C@@H](CC(=O)[O-])C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000827246891 602083890 /nfs/dbraw/zinc/08/38/90/602083890.db2.gz GZEBAGBCSANBGU-ZETCQYMHSA-N -2 0 309.347 1.466 20 0 DDADRL O=C([O-])[C@@H](CC(=O)NC[C@@H]1CCCN1C(=O)[O-])c1ccccc1 ZINC000740352444 602593872 /nfs/dbraw/zinc/59/38/72/602593872.db2.gz YXVJJZVEELQGHI-STQMWFEESA-N -2 0 320.345 1.504 20 0 DDADRL O=C([O-])Nc1ccc(C(=O)[N-]S(=O)(=O)CCCF)cc1 ZINC000832839122 603439162 /nfs/dbraw/zinc/43/91/62/603439162.db2.gz RVAWAKWFICECIQ-UHFFFAOYSA-N -2 0 304.299 1.196 20 0 DDADRL CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000826993051 603473020 /nfs/dbraw/zinc/47/30/20/603473020.db2.gz ZTAJIHOJAQHMDW-UHFFFAOYSA-N -2 0 315.351 1.011 20 0 DDADRL CCN(CCNC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000827150381 603554393 /nfs/dbraw/zinc/55/43/93/603554393.db2.gz FBNQRCHQFKXVLB-UHFFFAOYSA-N -2 0 318.333 1.308 20 0 DDADRL CCCCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000826847806 604210157 /nfs/dbraw/zinc/21/01/57/604210157.db2.gz OFCHARDWPZFODT-VHSXEESVSA-N -2 0 306.384 1.059 20 0 DDADRL CC(C)C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])s1)C(=O)[O-] ZINC000833491564 604882382 /nfs/dbraw/zinc/88/23/82/604882382.db2.gz OOJUVZGBHUYIST-SSDOTTSWSA-N -2 0 321.376 1.224 20 0 DDADRL CC1(C)C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833556607 605116677 /nfs/dbraw/zinc/11/66/77/605116677.db2.gz DYNZYDNEXPOYAQ-LURJTMIESA-N -2 0 303.361 1.297 20 0 DDADRL O=C(CCC1CCCC1)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000831424989 605281610 /nfs/dbraw/zinc/28/16/10/605281610.db2.gz XCKYILXASKWVFC-NSHDSACASA-N -2 0 318.395 1.155 20 0 DDADRL O=C([O-])N1CC[C@H](S(=O)(=O)[N-]C(=O)CC2=CCCCC2)C1 ZINC000831292767 605283728 /nfs/dbraw/zinc/28/37/28/605283728.db2.gz PJVNSTMLFWUTPI-NSHDSACASA-N -2 0 316.379 1.075 20 0 DDADRL C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000833829790 606030157 /nfs/dbraw/zinc/03/01/57/606030157.db2.gz KXCKLFNYPBFQDE-GYSYKLTISA-N -2 0 300.355 1.777 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000834059917 606031081 /nfs/dbraw/zinc/03/10/81/606031081.db2.gz VHGSKEFIXRANBF-USZNOCQGSA-N -2 0 310.350 1.231 20 0 DDADRL O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000834060684 606048194 /nfs/dbraw/zinc/04/81/94/606048194.db2.gz IVVJRFKGXUALQM-CHWSQXEVSA-N -2 0 318.329 1.024 20 0 DDADRL C[C@@H](C(=O)[O-])[C@H](NC(=O)CCCNC(=O)[O-])c1ccccc1 ZINC000833790158 606054190 /nfs/dbraw/zinc/05/41/90/606054190.db2.gz NJTABQIVUIGXLJ-MFKMUULPSA-N -2 0 308.334 1.612 20 0 DDADRL Cc1oc(CN(C)C(=O)CC2CN(C(=O)[O-])C2)cc1C(=O)[O-] ZINC000833934236 606055153 /nfs/dbraw/zinc/05/51/53/606055153.db2.gz CRFOIEGEDPASEQ-UHFFFAOYSA-N -2 0 310.306 1.245 20 0 DDADRL Cc1oc(CN(C)C(=O)CCCN(C)C(=O)[O-])cc1C(=O)[O-] ZINC000833935415 606055166 /nfs/dbraw/zinc/05/51/66/606055166.db2.gz PWBDRSWBJXRDFG-UHFFFAOYSA-N -2 0 312.322 1.635 20 0 DDADRL O=C([O-])NC1(C(=O)NCc2nc(C(=O)[O-])cs2)CCCC1 ZINC000834152209 606061385 /nfs/dbraw/zinc/06/13/85/606061385.db2.gz VGPOKQRJOSZZMU-UHFFFAOYSA-N -2 0 313.335 1.038 20 0 DDADRL CC(C)C[C@@H](CNC(=O)[C@@H](NC(=O)[O-])c1ccccc1)C(=O)[O-] ZINC000833793562 606064510 /nfs/dbraw/zinc/06/45/10/606064510.db2.gz FVSZPRVXXHTGQY-STQMWFEESA-N -2 0 322.361 1.858 20 0 DDADRL O=C([O-])N[C@@H](CCC(=O)NC1(C(=O)[O-])CCC1)c1ccccc1 ZINC000834136068 606068510 /nfs/dbraw/zinc/06/85/10/606068510.db2.gz BXJRDBVNTAVWBS-LBPRGKRZSA-N -2 0 320.345 1.899 20 0 DDADRL Cn1nc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1C(=O)[O-] ZINC000725223853 699331370 /nfs/dbraw/zinc/33/13/70/699331370.db2.gz QGOWNJVWAXNQFN-UHFFFAOYSA-N -2 0 321.767 1.634 20 0 DDADRL O=C([O-])CCSCc1cccc(NC(=O)c2cn[nH]n2)c1 ZINC000739754613 699778967 /nfs/dbraw/zinc/77/89/67/699778967.db2.gz VGUCJSYBOXBQHZ-UHFFFAOYSA-N -2 0 306.347 1.765 20 0 DDADRL CC[C@@]1(C)NC(=O)N([N-]C(=O)c2c([O-])cc(F)cc2F)C1=O ZINC000769830986 701258387 /nfs/dbraw/zinc/25/83/87/701258387.db2.gz DOOGUTDFQVIBHS-CYBMUJFWSA-N -2 0 313.260 1.036 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cnc(Cc2ccccc2)s1 ZINC000816731401 702167507 /nfs/dbraw/zinc/16/75/07/702167507.db2.gz PRBRADILLJMHAU-UHFFFAOYSA-N -2 0 317.330 1.121 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)nn1C ZINC000817353792 702348865 /nfs/dbraw/zinc/34/88/65/702348865.db2.gz FXQPVCAGFFHNNX-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)s1 ZINC000863952559 706044946 /nfs/dbraw/zinc/04/49/46/706044946.db2.gz BLROVACJHJJYPK-SECBINFHSA-N -2 0 305.377 1.218 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)c(C)s1 ZINC000863954192 706045419 /nfs/dbraw/zinc/04/54/19/706045419.db2.gz QKBGFMDTGCVQOI-SNVBAGLBSA-N -2 0 319.404 1.527 20 0 DDADRL O=C([O-])CC1(C(=O)[N-]S(=O)(=O)C2CCCCC2)CCC1 ZINC000863954087 706045556 /nfs/dbraw/zinc/04/55/56/706045556.db2.gz LNBRFZCHZGRYJO-UHFFFAOYSA-N -2 0 303.380 1.410 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCC1 ZINC000863954944 706045917 /nfs/dbraw/zinc/04/59/17/706045917.db2.gz TXSMEWKTPUCCRK-JTQLQIEISA-N -2 0 305.396 1.514 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@]2(C(=O)[O-])CC2(C)C)c(C)o1 ZINC000863957763 706046462 /nfs/dbraw/zinc/04/64/62/706046462.db2.gz HLHUFYCAPLPDHL-CYBMUJFWSA-N -2 0 315.347 1.202 20 0 DDADRL O=C([O-])[C@H]1CCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000909614096 709540544 /nfs/dbraw/zinc/54/05/44/709540544.db2.gz OANJSPYKEXQYOH-LLVKDONJSA-N -2 0 319.292 1.406 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)/C=C/c2cccs2)C1 ZINC000910182093 709800564 /nfs/dbraw/zinc/80/05/64/709800564.db2.gz HQVYEWXCYXTPEL-AQXIBQBTSA-N -2 0 309.343 1.538 20 0 DDADRL Cc1ccccc1[C@H](C)C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910180963 709800625 /nfs/dbraw/zinc/80/06/25/709800625.db2.gz AKCIWJAUNBNTLV-OUCADQQQSA-N -2 0 319.357 1.875 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CCc2ccc(F)cc2)C1 ZINC000910185398 709802203 /nfs/dbraw/zinc/80/22/03/709802203.db2.gz JBAUFZGWPCFTDU-DGCLKSJQSA-N -2 0 323.320 1.535 20 0 DDADRL C[C@H]1CCN(C(=O)C2(C(=O)[O-])CCSCC2)C[C@H]1C(=O)[O-] ZINC000901697467 710122333 /nfs/dbraw/zinc/12/23/33/710122333.db2.gz FJFSYJOCGLGAJA-VHSXEESVSA-N -2 0 315.391 1.154 20 0 DDADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(=O)[O-] ZINC000917718358 713511179 /nfs/dbraw/zinc/51/11/79/713511179.db2.gz VTPNYDOEPDGRLX-QMMMGPOBSA-N -2 0 315.347 1.260 20 0 DDADRL Cc1cc(NS(=O)(=O)c2ccc(N)c(N)c2)cc(C(=O)[O-])c1 ZINC001211545108 734747461 /nfs/dbraw/zinc/74/74/61/734747461.db2.gz UKHNYUUBQHEGJF-UHFFFAOYSA-N -2 0 321.358 1.658 20 0 DDADRL CCC1(C(=O)NCCOP(=O)([O-])[O-])CCC(F)(F)CC1 ZINC001184653110 744078544 /nfs/dbraw/zinc/07/85/44/744078544.db2.gz IJTRGSNPMZDYSG-UHFFFAOYSA-N -2 0 315.253 1.818 20 0 DDADRL COc1cncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC001185877154 744307295 /nfs/dbraw/zinc/30/72/95/744307295.db2.gz AVZNRUVLWVGJKJ-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL CO[C@@H](C)C1CN(C(=O)c2ccccc2OP(=O)([O-])[O-])C1 ZINC001189888388 745042255 /nfs/dbraw/zinc/04/22/55/745042255.db2.gz YROWYMDLNNRYLD-VIFPVBQESA-N -2 0 315.262 1.265 20 0 DDADRL Cc1conc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192107191 745692148 /nfs/dbraw/zinc/69/21/48/745692148.db2.gz YQJIYRDCSIMQPC-UHFFFAOYSA-N -2 0 310.331 1.801 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccn2nccc12 ZINC001198751199 747598872 /nfs/dbraw/zinc/59/88/72/747598872.db2.gz WGAYOCAURXUVIN-UHFFFAOYSA-N -2 0 317.326 1.833 20 0 DDADRL O=P([O-])([O-])OCCNc1ncc(Cl)c(C(F)(F)F)n1 ZINC001168588012 751189564 /nfs/dbraw/zinc/18/95/64/751189564.db2.gz XICZGUJUWRVGFP-UHFFFAOYSA-N -2 0 321.579 1.670 20 0 DDADRL Nc1ccc2[nH]c(=O)n(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2c1 ZINC001176241608 778093178 /nfs/dbraw/zinc/09/31/78/778093178.db2.gz NTGVJXMPVUMGGK-UHFFFAOYSA-N -2 0 313.269 1.710 20 0 DDADRL CC(C)c1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001225239962 881736894 /nfs/dbraw/zinc/73/68/94/881736894.db2.gz MQVCHKFLFRULKK-WCQYABFASA-N -2 0 310.302 1.252 20 0 DDADRL Cc1cc(Cl)cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001227984891 883269034 /nfs/dbraw/zinc/26/90/34/883269034.db2.gz NZUYWNRBRGERIO-MWLCHTKSSA-N -2 0 316.693 1.090 20 0 DDADRL Cc1c(Cl)cccc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001225922974 882112328 /nfs/dbraw/zinc/11/23/28/882112328.db2.gz OTKCUEFWYVDXKJ-MRVPVSSYSA-N -2 0 310.626 1.024 20 0 DDADRL CCc1cccc(CC)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001226176895 882253529 /nfs/dbraw/zinc/25/35/29/882253529.db2.gz HOQFVHZKSQXJQR-AAEUAGOBSA-N -2 0 324.329 1.253 20 0 DDADRL CCOC(=O)c1cncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242158966 891354274 /nfs/dbraw/zinc/35/42/74/891354274.db2.gz FJKKPTSMFBQYHO-UHFFFAOYSA-N -2 0 316.269 1.717 20 0 DDADRL COC(=O)c1cc(Br)c([O-])c([N-]S(C)(=O)=O)c1 ZINC001252712502 895411568 /nfs/dbraw/zinc/41/15/68/895411568.db2.gz FVTSOGTYVWZLDI-UHFFFAOYSA-N -2 0 324.152 1.313 20 0 DDADRL COc1nc([N-]S(=O)(=O)c2c(F)cccc2F)cc(=O)[n-]1 ZINC001259063987 898443114 /nfs/dbraw/zinc/44/31/14/898443114.db2.gz WXLQLWZKRNRGAM-UHFFFAOYSA-N -2 0 317.273 1.270 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnco2)c(F)cc1Cl ZINC001259212249 898537240 /nfs/dbraw/zinc/53/72/40/898537240.db2.gz JXNWIDOPFNUJDK-UHFFFAOYSA-N -2 0 321.673 1.361 20 0 DDADRL Cc1cnn(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260210458 899091694 /nfs/dbraw/zinc/09/16/94/899091694.db2.gz WYSCUSOBWVGQRY-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(F)cn2)c1 ZINC000088248241 185243624 /nfs/dbraw/zinc/24/36/24/185243624.db2.gz KCLHDUNYQKXUCQ-UHFFFAOYSA-N -2 0 302.308 1.781 20 0 DDADRL O=C([O-])[C@@H]1C=C[C@H]([N-]S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000092181980 193171137 /nfs/dbraw/zinc/17/11/37/193171137.db2.gz LINBNEGENOJMON-SVRRBLITSA-N -2 0 321.276 1.412 20 0 DDADRL CC(C)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000093091681 193203108 /nfs/dbraw/zinc/20/31/08/193203108.db2.gz ZPVDBSGZJSKXEW-LLVKDONJSA-N -2 0 315.347 1.016 20 0 DDADRL Cc1noc2ncc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc12 ZINC000360232129 299617389 /nfs/dbraw/zinc/61/73/89/299617389.db2.gz ZDCUVFHIIJFWRQ-UHFFFAOYSA-N -2 0 322.302 1.358 20 0 DDADRL COCc1n[n-]c(=NCCc2ccc(OCC(=O)[O-])cc2)s1 ZINC000568753477 304310098 /nfs/dbraw/zinc/31/00/98/304310098.db2.gz PVWBUVHTAPMYKG-UHFFFAOYSA-N -2 0 323.374 1.224 20 0 DDADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000035306746 406970735 /nfs/dbraw/zinc/97/07/35/406970735.db2.gz APDNYYDAEZRTML-UHFFFAOYSA-N -2 0 313.310 1.665 20 0 DDADRL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000085327726 407099136 /nfs/dbraw/zinc/09/91/36/407099136.db2.gz WCRSPPPBJZJYKJ-KCJUWKMLSA-N -2 0 319.329 1.887 20 0 DDADRL O=C([O-])CCCCCNC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000244216338 407924651 /nfs/dbraw/zinc/92/46/51/407924651.db2.gz VXEYXPXNKGWXBF-UHFFFAOYSA-N -2 0 308.334 1.829 20 0 DDADRL COCCS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1OC(C)C ZINC000281992258 408967743 /nfs/dbraw/zinc/96/77/43/408967743.db2.gz MXAUVUKOKQQBNG-UHFFFAOYSA-N -2 0 317.363 1.560 20 0 DDADRL O=C([N-]N1CCCCC1=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000284116695 409278874 /nfs/dbraw/zinc/27/88/74/409278874.db2.gz ZBEJYCHELBWRDZ-UHFFFAOYSA-N -2 0 318.308 1.374 20 0 DDADRL CC(C)n1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000313771408 164010559 /nfs/dbraw/zinc/01/05/59/164010559.db2.gz FBYRBKXZQBBPJT-UHFFFAOYSA-N -2 0 309.347 1.963 20 0 DDADRL O=C(C[C@H]1NC(=O)NC1=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000354407795 409832432 /nfs/dbraw/zinc/83/24/32/409832432.db2.gz JTAVJHYMRHDVLD-SSDOTTSWSA-N -2 0 318.116 1.236 20 0 DDADRL Cc1n[n-]c(=NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])s1 ZINC000339834739 410491610 /nfs/dbraw/zinc/49/16/10/410491610.db2.gz MSBUWZLAXJSUOO-UHFFFAOYSA-N -2 0 319.321 1.551 20 0 DDADRL O=C([O-])[C@H]1CCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000417731332 225415959 /nfs/dbraw/zinc/41/59/59/225415959.db2.gz OQUXNPOMEZZMKN-JTQLQIEISA-N -2 0 318.358 1.565 20 0 DDADRL Cn1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1C1CC1 ZINC000290605389 221778440 /nfs/dbraw/zinc/77/84/40/221778440.db2.gz ZNJNMKBRWMCXQI-UHFFFAOYSA-N -2 0 321.358 1.797 20 0 DDADRL CCn1nccc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000471927792 420957292 /nfs/dbraw/zinc/95/72/92/420957292.db2.gz OUYYPBORQBUVSE-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL CC(C)(C)CC[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)C(=O)[O-] ZINC000449143596 420960682 /nfs/dbraw/zinc/96/06/82/420960682.db2.gz IFFJKVDMAUTITI-MRVPVSSYSA-N -2 0 309.322 1.184 20 0 DDADRL CC1(CS(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])CCCCC1 ZINC000547569854 421344151 /nfs/dbraw/zinc/34/41/51/421344151.db2.gz UCUFSEIFDIVDHI-JTQLQIEISA-N -2 0 321.395 1.052 20 0 DDADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cn(C)nc2C2CC2)c1 ZINC000572420429 421785385 /nfs/dbraw/zinc/78/53/85/421785385.db2.gz UIOYUKRHAJFQBY-UHFFFAOYSA-N -2 0 323.374 1.813 20 0 DDADRL C[C@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2cc([O-])cc(F)c2)C1 ZINC000630444413 422106562 /nfs/dbraw/zinc/10/65/62/422106562.db2.gz YELUCYROWSJNNU-IUCAKERBSA-N -2 0 317.338 1.263 20 0 DDADRL CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000630446317 422108157 /nfs/dbraw/zinc/10/81/57/422108157.db2.gz QCSKRPLGGZBXLL-MRVPVSSYSA-N -2 0 307.755 1.529 20 0 DDADRL C[C@@H]1CN(C(=O)N=c2[n-]nc(C(F)F)s2)CC[C@H]1C(=O)[O-] ZINC000630560374 422178402 /nfs/dbraw/zinc/17/84/02/422178402.db2.gz COIGFZQANQANFF-PHDIDXHHSA-N -2 0 320.321 1.472 20 0 DDADRL CC(C)C[C@H](CNC(=O)NC[C@H](C(=O)[O-])C(C)C)CC(=O)[O-] ZINC000659415373 423821503 /nfs/dbraw/zinc/82/15/03/423821503.db2.gz ZBBXOYSZAXTGOV-RYUDHWBXSA-N -2 0 316.398 1.779 20 0 DDADRL CC(C)[C@@H](CNC(=O)N1CCC[C@H](CC(=O)[O-])C1)C(=O)[O-] ZINC000655896647 424691988 /nfs/dbraw/zinc/69/19/88/424691988.db2.gz MZLDWBMKDOGFEQ-GHMZBOCLSA-N -2 0 300.355 1.240 20 0 DDADRL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2c[nH]cn2)c1 ZINC000345700383 272307875 /nfs/dbraw/zinc/30/78/75/272307875.db2.gz XQWVTAGLHDQXIS-UHFFFAOYSA-N -2 0 323.330 1.258 20 0 DDADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000357150133 298980452 /nfs/dbraw/zinc/98/04/52/298980452.db2.gz QPHDSONJGXYNII-UHFFFAOYSA-N -2 0 324.358 1.973 20 0 DDADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c(O)c1 ZINC000356041116 306828779 /nfs/dbraw/zinc/82/87/79/306828779.db2.gz ZIEFLRFUEPPYNB-UHFFFAOYSA-N -2 0 310.331 1.538 20 0 DDADRL CCn1cncc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000547871090 303557418 /nfs/dbraw/zinc/55/74/18/303557418.db2.gz AHEZNCIJFFIBAE-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL C[C@H]([C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-])C1CC1 ZINC000548992440 303601708 /nfs/dbraw/zinc/60/17/08/303601708.db2.gz OZNPVARPPNXOCS-WRWORJQWSA-N -2 0 319.329 1.742 20 0 DDADRL Cc1n[n-]c(=NC(=O)N(CC(=O)[O-])[C@H](C)c2ccccc2)s1 ZINC000562407263 303860837 /nfs/dbraw/zinc/86/08/37/303860837.db2.gz MOFTXJPJCUDJFL-SECBINFHSA-N -2 0 320.374 1.948 20 0 DDADRL C[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)N=c1[n-]ncs1 ZINC000565636288 308034921 /nfs/dbraw/zinc/03/49/21/308034921.db2.gz VFAAGUAYZPFDSG-VIFPVBQESA-N -2 0 306.347 1.640 20 0 DDADRL CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000576874693 308346093 /nfs/dbraw/zinc/34/60/93/308346093.db2.gz ARHDEBRMHBSCNT-ZETCQYMHSA-N -2 0 313.709 1.760 20 0 DDADRL C[C@@H]1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)C[C@@H]1C(=O)[O-] ZINC000577610479 308401617 /nfs/dbraw/zinc/40/16/17/308401617.db2.gz JAIKLXKADVWPDV-SVRRBLITSA-N -2 0 317.263 1.992 20 0 DDADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1 ZINC000507551747 484259209 /nfs/dbraw/zinc/25/92/09/484259209.db2.gz OVUNJNSWGMLLFS-UHFFFAOYSA-N -2 0 309.347 1.834 20 0 DDADRL O=C([O-])[C@@H](C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)C1CC1 ZINC000663118295 484682145 /nfs/dbraw/zinc/68/21/45/484682145.db2.gz CJYFVHBFOQVZNG-JHJVBQTASA-N -2 0 303.314 1.527 20 0 DDADRL O=C([O-])[C@@H]1C[C@H](NC(=O)C2(C(=O)[O-])CC=CC2)c2ccccc21 ZINC000663121029 484684901 /nfs/dbraw/zinc/68/49/01/484684901.db2.gz WESNFBPLSNSFJQ-OLZOCXBDSA-N -2 0 315.325 1.837 20 0 DDADRL CC(C)(C(=O)[O-])n1cc(NC(=O)C2(C(=O)[O-])CC=CC2)cn1 ZINC000663128068 484690383 /nfs/dbraw/zinc/69/03/83/484690383.db2.gz BFLQMCZXNKXTGV-UHFFFAOYSA-N -2 0 307.306 1.062 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000229619573 523567193 /nfs/dbraw/zinc/56/71/93/523567193.db2.gz XXGHCYOYIDPVFI-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]Cc1nc(C(=O)[O-])cs1 ZINC000275039601 545653774 /nfs/dbraw/zinc/65/37/74/545653774.db2.gz VFHZVCFPUIEREE-BYPYZUCNSA-N -2 0 318.298 1.212 20 0 DDADRL C[C@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000141595586 598182021 /nfs/dbraw/zinc/18/20/21/598182021.db2.gz VAGZICJVOULMOI-REOHCLBHSA-N -2 0 319.207 1.134 20 0 DDADRL Cc1ccccc1S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-] ZINC000738785200 599911011 /nfs/dbraw/zinc/91/10/11/599911011.db2.gz KOKZBXRIXUPWOW-UHFFFAOYSA-N -2 0 314.363 1.190 20 0 DDADRL CC1(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CCCC1 ZINC000736727076 600099089 /nfs/dbraw/zinc/09/90/89/600099089.db2.gz BJKCOSNJPSCLBA-UHFFFAOYSA-N -2 0 317.388 1.832 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc2ccccc2c1 ZINC000739693232 600465999 /nfs/dbraw/zinc/46/59/99/600465999.db2.gz XIZGAIRVLHHYOF-UHFFFAOYSA-N -2 0 321.354 1.764 20 0 DDADRL CCc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)s1 ZINC000049044525 600529322 /nfs/dbraw/zinc/52/93/22/600529322.db2.gz DTJLJCSDYGUUCQ-UHFFFAOYSA-N -2 0 315.376 1.392 20 0 DDADRL Cc1oc(CSc2n[n-]c3nc(=O)c(C)nn32)cc1C(=O)[O-] ZINC000738927333 600552033 /nfs/dbraw/zinc/55/20/33/600552033.db2.gz LBOHRTOOAPJHCF-UHFFFAOYSA-N -2 0 321.318 1.013 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2c(O)cccc2F)o1 ZINC000740177670 601117022 /nfs/dbraw/zinc/11/70/22/601117022.db2.gz REIUTMCEGHSSHG-UHFFFAOYSA-N -2 0 301.251 1.623 20 0 DDADRL Cc1cc(F)cc(C(=O)[O-])c1NS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000832887613 601615291 /nfs/dbraw/zinc/61/52/91/601615291.db2.gz QHNPECMDDSWHHI-ZETCQYMHSA-N -2 0 319.310 1.295 20 0 DDADRL Cc1ccc(O)c([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000832953312 601617493 /nfs/dbraw/zinc/61/74/93/601617493.db2.gz RAGSJLWOYRPQIC-UHFFFAOYSA-N -2 0 314.344 1.656 20 0 DDADRL O=C([O-])[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CC1 ZINC000833125807 601758114 /nfs/dbraw/zinc/75/81/14/601758114.db2.gz RAKGMDFWQVQTOM-LBPRGKRZSA-N -2 0 319.292 1.310 20 0 DDADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000827303139 602195543 /nfs/dbraw/zinc/19/55/43/602195543.db2.gz CABICHWSIKLPEN-QMMMGPOBSA-N -2 0 319.766 1.397 20 0 DDADRL CN(CCCC(=O)N[C@@H](CC(=O)[O-])c1ccccc1)C(=O)[O-] ZINC000739665428 602269288 /nfs/dbraw/zinc/26/92/88/602269288.db2.gz VDBQEVKSUFHHKU-LBPRGKRZSA-N -2 0 308.334 1.709 20 0 DDADRL Cc1ccccc1S(=O)(=O)[N-]C(=O)C(C)(C)CNC(=O)[O-] ZINC000830590831 603784745 /nfs/dbraw/zinc/78/47/45/603784745.db2.gz IYXCACKCNLZESR-UHFFFAOYSA-N -2 0 314.363 1.094 20 0 DDADRL CN(C(=O)[O-])[C@@H]1CCN(Cc2c([O-])nnn2-c2ccccc2)C1 ZINC000827891013 603915748 /nfs/dbraw/zinc/91/57/48/603915748.db2.gz YZJWIHZUQVUHHD-GFCCVEGCSA-N -2 0 317.349 1.157 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)C2CCCCC2)C1 ZINC000832281083 604246097 /nfs/dbraw/zinc/24/60/97/604246097.db2.gz XRQGTTJCGIWXEA-NXEZZACHSA-N -2 0 318.395 1.201 20 0 DDADRL O=C([O-])c1ccc(C(=O)NC2(c3nnn[n-]3)CCCC2)cc1F ZINC000833129828 604318907 /nfs/dbraw/zinc/31/89/07/604318907.db2.gz SBXZRYOOPXBJNH-UHFFFAOYSA-N -2 0 319.296 1.236 20 0 DDADRL CCC[C@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1nnn[n-]1 ZINC000829231019 604332795 /nfs/dbraw/zinc/33/27/95/604332795.db2.gz RWKKVIYOUFQNRF-JTQLQIEISA-N -2 0 307.285 1.308 20 0 DDADRL COC[C@](C)(NC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)[O-] ZINC000833720786 604730831 /nfs/dbraw/zinc/73/08/31/604730831.db2.gz GOPQLNXBQCSGOS-LBPRGKRZSA-N -2 0 322.144 1.919 20 0 DDADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2)cc1F ZINC000833149055 604879752 /nfs/dbraw/zinc/87/97/52/604879752.db2.gz YYMSUEWEQMSSIO-UHFFFAOYSA-N -2 0 323.301 1.643 20 0 DDADRL O=C([O-])Cn1ccc(NC(=O)c2cc(F)cc(Cl)c2[O-])n1 ZINC000833277524 604997164 /nfs/dbraw/zinc/99/71/64/604997164.db2.gz QVTFPZUQPJAQNE-UHFFFAOYSA-N -2 0 313.672 1.718 20 0 DDADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1 ZINC000833754064 605007004 /nfs/dbraw/zinc/00/70/04/605007004.db2.gz OESFKRDMKGGYOK-UHFFFAOYSA-N -2 0 313.360 1.533 20 0 DDADRL COc1ccccc1[C@@H](NC(=O)[O-])C(=O)[N-]OCC(F)(F)F ZINC000829611970 605138255 /nfs/dbraw/zinc/13/82/55/605138255.db2.gz YVFUKLINJCZTGA-SECBINFHSA-N -2 0 322.239 1.614 20 0 DDADRL O=C([O-])N1CC(OCC(=O)Nc2ccc3[n-]c(=S)oc3c2)C1 ZINC000831542257 605757293 /nfs/dbraw/zinc/75/72/93/605757293.db2.gz SGVYEIZINMIZSE-UHFFFAOYSA-N -2 0 323.330 1.434 20 0 DDADRL CCC[C@H](NC(=O)CN(C(=O)[O-])c1ccccc1)c1nnn[n-]1 ZINC000826742849 605771673 /nfs/dbraw/zinc/77/16/73/605771673.db2.gz GCPZLQUVFNBLHH-NSHDSACASA-N -2 0 318.337 1.342 20 0 DDADRL O=C([O-])Nc1ccccc1C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000834268603 605976391 /nfs/dbraw/zinc/97/63/91/605976391.db2.gz QZFSNNQIQVGALT-VIFPVBQESA-N -2 0 316.321 1.309 20 0 DDADRL O=C([O-])C[C@H](NC(=O)CC1(NC(=O)[O-])CCC1)c1ccccc1 ZINC000834061167 606029550 /nfs/dbraw/zinc/02/95/50/606029550.db2.gz PRZOJNTYSZAOLE-LBPRGKRZSA-N -2 0 320.345 1.899 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)N[C@H](C(=O)[O-])c2ccccc2)C1 ZINC000834163296 606048904 /nfs/dbraw/zinc/04/89/04/606048904.db2.gz JUTZFIRFZSYMMJ-TUAOUCFPSA-N -2 0 306.318 1.365 20 0 DDADRL O=C([O-])CCCCNC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000834059700 606058604 /nfs/dbraw/zinc/05/86/04/606058604.db2.gz KDPRAGDJPYWRIJ-RYUDHWBXSA-N -2 0 314.382 1.964 20 0 DDADRL O=C([O-])NC[C@@H](C(=O)N1CC[C@](F)(C(=O)[O-])C1)c1ccccc1 ZINC000834210480 606066700 /nfs/dbraw/zinc/06/67/00/606066700.db2.gz PXCRLCZIKLHALT-IAQYHMDHSA-N -2 0 324.308 1.063 20 0 DDADRL O=C([O-])C1(CNC(=O)c2ccc([O-])c(Cl)c2)CCOCC1 ZINC000165917829 697340437 /nfs/dbraw/zinc/34/04/37/697340437.db2.gz OCUBISZECVFLOB-UHFFFAOYSA-N -2 0 313.737 1.657 20 0 DDADRL O=C(c1cccc(Cl)c1[O-])N1CCC[C@H](c2nnn[n-]2)C1 ZINC000775783681 698032063 /nfs/dbraw/zinc/03/20/63/698032063.db2.gz LUFOZGXKPIGJJM-QMMMGPOBSA-N -2 0 307.741 1.579 20 0 DDADRL CC(C)(C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000823766482 705313184 /nfs/dbraw/zinc/31/31/84/705313184.db2.gz OSRFFHBNCIQFOZ-NXEZZACHSA-N -2 0 320.411 1.305 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000863955705 706046164 /nfs/dbraw/zinc/04/61/64/706046164.db2.gz VTBFGNLAVPVMOM-CMPLNLGQSA-N -2 0 313.375 1.550 20 0 DDADRL O=C([O-])[C@@H]1CN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)C[C@H]1C1CC1 ZINC000900468845 709610256 /nfs/dbraw/zinc/61/02/56/709610256.db2.gz IYJKMRWJRHXTQJ-OZVIIMIRSA-N -2 0 307.346 1.367 20 0 DDADRL CC1(C)CCCC[C@@H]1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910181947 709800364 /nfs/dbraw/zinc/80/03/64/709800364.db2.gz FWQBOARYRDUPHA-QJPTWQEYSA-N -2 0 311.378 1.979 20 0 DDADRL Cc1cc(C)c(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])s1 ZINC000910181453 709800492 /nfs/dbraw/zinc/80/04/92/709800492.db2.gz DMVDUOHKGASFPV-VHSXEESVSA-N -2 0 311.359 1.755 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@H]2CCC=CCCC2)C1 ZINC000910183745 709800867 /nfs/dbraw/zinc/80/08/67/709800867.db2.gz OCVZLJXLONFEMV-XQQFMLRXSA-N -2 0 309.362 1.899 20 0 DDADRL C[C@@H](Cc1ccccc1)C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910185280 709802183 /nfs/dbraw/zinc/80/21/83/709802183.db2.gz WCNJCDVYVSZMSF-YUTCNCBUSA-N -2 0 319.357 1.642 20 0 DDADRL Cc1cc(C)cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910186872 709802407 /nfs/dbraw/zinc/80/24/07/709802407.db2.gz WCOCRGULTSLMCE-WCQYABFASA-N -2 0 305.330 1.693 20 0 DDADRL Cc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c(C)s1 ZINC000910188584 709803369 /nfs/dbraw/zinc/80/33/69/709803369.db2.gz MKXYDRIEJKQKJP-KOLCDFICSA-N -2 0 311.359 1.755 20 0 DDADRL CC(C)CCSCC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910189001 709804119 /nfs/dbraw/zinc/80/41/19/709804119.db2.gz OUSHPQAXLXXEDQ-WDEREUQCSA-N -2 0 317.407 1.542 20 0 DDADRL CCc1ccccc1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910191463 709805142 /nfs/dbraw/zinc/80/51/42/709805142.db2.gz JQOPMIOTJOTXJB-YPMHNXCESA-N -2 0 305.330 1.639 20 0 DDADRL O=C([O-])[C@]1(CNC(=O)c2ccc([O-])c(Cl)c2)CCCOC1 ZINC000910307523 709880865 /nfs/dbraw/zinc/88/08/65/709880865.db2.gz ZIAZVFHDXSRBIP-AWEZNQCLSA-N -2 0 313.737 1.657 20 0 DDADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2(C(=O)[O-])CCSCC2)C1 ZINC000901658071 710111592 /nfs/dbraw/zinc/11/15/92/710111592.db2.gz WYGBFCMZFWMINP-NXEZZACHSA-N -2 0 315.391 1.154 20 0 DDADRL C[C@H]1CCN(C(=O)C2(C(=O)[O-])CCSCC2)C[C@@H]1C(=O)[O-] ZINC000901697466 710122345 /nfs/dbraw/zinc/12/23/45/710122345.db2.gz FJFSYJOCGLGAJA-UWVGGRQHSA-N -2 0 315.391 1.154 20 0 DDADRL O=C([O-])C1=NN(c2ccccc2)[C@@H](C(=O)[N-]OC2CCC2)C1 ZINC000911813849 711009633 /nfs/dbraw/zinc/00/96/33/711009633.db2.gz OPOVDAKSCQAJFU-CYBMUJFWSA-N -2 0 303.318 1.306 20 0 DDADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCC(F)(F)C2)c1 ZINC000906919993 712438928 /nfs/dbraw/zinc/43/89/28/712438928.db2.gz SXNUSEUSSSQNHK-UHFFFAOYSA-N -2 0 307.274 1.120 20 0 DDADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCC(F)(F)CC2)c1 ZINC000906966144 712451595 /nfs/dbraw/zinc/45/15/95/712451595.db2.gz XRERNXVEANGCFK-UHFFFAOYSA-N -2 0 321.301 1.510 20 0 DDADRL CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC000916110047 713442712 /nfs/dbraw/zinc/44/27/12/713442712.db2.gz AIHXOMIJUKLKCN-LDYMZIIASA-N -2 0 315.347 1.162 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2cncnc2C)cc1C(=O)[O-] ZINC001185269630 744194816 /nfs/dbraw/zinc/19/48/16/744194816.db2.gz QGIBBXSYBMAQHJ-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL COc1cncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1 ZINC001185875438 744298027 /nfs/dbraw/zinc/29/80/27/744298027.db2.gz BILARRGWNCARHK-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL Cc1cnc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)o1 ZINC001186133592 744348829 /nfs/dbraw/zinc/34/88/29/744348829.db2.gz OMKYAAHGCWFGBO-UHFFFAOYSA-N -2 0 300.267 1.621 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])C1CC(Oc2ccccc2)C1 ZINC001186871706 744456405 /nfs/dbraw/zinc/45/64/05/744456405.db2.gz UWINMRBOIIWZGY-UHFFFAOYSA-N -2 0 315.262 1.070 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(CO)nc1 ZINC001198746350 747589064 /nfs/dbraw/zinc/58/90/64/747589064.db2.gz FHIHZTUYTMBWBX-UHFFFAOYSA-N -2 0 308.315 1.073 20 0 DDADRL NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198778659 747606121 /nfs/dbraw/zinc/60/61/21/747606121.db2.gz JQVJBZSPQXJMQV-UHFFFAOYSA-N -2 0 320.326 1.285 20 0 DDADRL O=P([O-])([O-])OCCNc1ncnc2cccc(Cl)c21 ZINC001168585667 751174473 /nfs/dbraw/zinc/17/44/73/751174473.db2.gz AXEMPBCPAZFMKS-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL CC(C)(C)C(=O)Nc1cccc(NCCOP(=O)([O-])[O-])n1 ZINC001168586127 751175973 /nfs/dbraw/zinc/17/59/73/751175973.db2.gz FXWLVFHTRFFHIC-UHFFFAOYSA-N -2 0 317.282 1.587 20 0 DDADRL O=C(NCCCC[P@](=O)([O-])O)c1c[nH]c(=O)c2ccccc12 ZINC001151163175 862657415 /nfs/dbraw/zinc/65/74/15/862657415.db2.gz OGKDYTZRYFAGDK-UHFFFAOYSA-N -2 0 324.273 1.628 20 0 DDADRL O=P([O-])([O-])OCCNc1nnc(Cl)c2ccsc21 ZINC001157788088 864140423 /nfs/dbraw/zinc/14/04/23/864140423.db2.gz ZSYHXNWQWBSMIU-UHFFFAOYSA-N -2 0 309.671 1.866 20 0 DDADRL COc1ccc2nc(NCCOP(=O)([O-])[O-])nc(C)c2c1 ZINC001157792218 864146115 /nfs/dbraw/zinc/14/61/15/864146115.db2.gz XOGCADVTUWYTCT-UHFFFAOYSA-N -2 0 313.250 1.468 20 0 DDADRL COc1c([N-]S(=O)(=O)c2cccc(N)c2)cccc1C(=O)[O-] ZINC001211037118 875635808 /nfs/dbraw/zinc/63/58/08/875635808.db2.gz HFSVXMQYWSMYKL-UHFFFAOYSA-N -2 0 322.342 1.776 20 0 DDADRL O=P([O-])([O-])c1ccc(-c2cnn(Cc3ccccn3)c2)cc1 ZINC001236438040 889232112 /nfs/dbraw/zinc/23/21/12/889232112.db2.gz WJGNCAKVVFEUTB-UHFFFAOYSA-N -2 0 315.269 1.796 20 0 DDADRL COC(=O)Cc1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242159375 891354123 /nfs/dbraw/zinc/35/41/23/891354123.db2.gz NCKZUFJKWQRYGI-UHFFFAOYSA-N -2 0 315.281 1.861 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(CO)nc2)cc1 ZINC001260222378 899094906 /nfs/dbraw/zinc/09/49/06/899094906.db2.gz ZBOMJDGLOOLERB-UHFFFAOYSA-N -2 0 308.315 1.073 20 0 DDADRL Cn1ccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000382383184 900666357 /nfs/dbraw/zinc/66/63/57/900666357.db2.gz DHYVCXXKWTVING-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL CC(C)[C@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)C(=O)[O-] ZINC000087477830 185226005 /nfs/dbraw/zinc/22/60/05/185226005.db2.gz LUWPYWIJKMLBRK-ZETCQYMHSA-N -2 0 305.252 1.896 20 0 DDADRL CCc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(CC)c2)cn1 ZINC000271021567 539278336 /nfs/dbraw/zinc/27/83/36/539278336.db2.gz GDYYGMDSYDVZKE-UHFFFAOYSA-N -2 0 324.362 1.359 20 0 DDADRL Cc1oc(C[N-]S(=O)(=O)[C@H](C)C(F)(F)F)cc1C(=O)[O-] ZINC000281744487 539283510 /nfs/dbraw/zinc/28/35/10/539283510.db2.gz DQHYEWATFDXLLO-ZCFIWIBFSA-N -2 0 315.269 1.656 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]nc1C ZINC000080941182 353637739 /nfs/dbraw/zinc/63/77/39/353637739.db2.gz QEQRBBQORGTXTL-UHFFFAOYSA-N -2 0 309.347 1.780 20 0 DDADRL Cn1cnc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1 ZINC000230027848 354324479 /nfs/dbraw/zinc/32/44/79/354324479.db2.gz VSTFNXZHGINPDD-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL O=C([O-])CN1CC[C@H](C(=O)[O-])c2cc(Br)ccc21 ZINC000635019469 422774351 /nfs/dbraw/zinc/77/43/51/422774351.db2.gz XQHMAECPHIYKII-QMMMGPOBSA-N -2 0 314.135 1.912 20 0 DDADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000040829314 183139387 /nfs/dbraw/zinc/13/93/87/183139387.db2.gz MEXHDPWQVSKIKD-UHFFFAOYSA-N -2 0 309.347 1.834 20 0 DDADRL COCc1nc(=NC(=O)c2cc(F)c([O-])c(F)c2)s[n-]1 ZINC000436972745 533271071 /nfs/dbraw/zinc/27/10/71/533271071.db2.gz UWAHDAIKBKLOFZ-UHFFFAOYSA-N -2 0 301.274 1.343 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c[nH]1 ZINC000071392862 406838663 /nfs/dbraw/zinc/83/86/63/406838663.db2.gz DLMMROFLOIRAHD-UHFFFAOYSA-N -2 0 315.738 1.871 20 0 DDADRL Cc1cc(C(=O)Nc2ccc(F)cn2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000155194417 408136957 /nfs/dbraw/zinc/13/69/57/408136957.db2.gz PTNSQVZJVZGBND-UHFFFAOYSA-N -2 0 315.264 1.119 20 0 DDADRL Cc1nc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c[nH]1 ZINC000274953772 408574546 /nfs/dbraw/zinc/57/45/46/408574546.db2.gz GTXUREXHGYRERM-NOZJJQNGSA-N -2 0 323.374 1.458 20 0 DDADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2cnn(C)c2)cc1)C(=O)[O-] ZINC000184655472 162899936 /nfs/dbraw/zinc/89/99/36/162899936.db2.gz YARPMGHYBREQFQ-SNVBAGLBSA-N -2 0 323.374 1.484 20 0 DDADRL CCC(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@@H](C)OC)c1 ZINC000436600903 420343307 /nfs/dbraw/zinc/34/33/07/420343307.db2.gz ACJLHPVJZPWAQM-SECBINFHSA-N -2 0 301.364 1.762 20 0 DDADRL CCOCCS(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])cc1OC ZINC000548264854 421416839 /nfs/dbraw/zinc/41/68/39/421416839.db2.gz SAZAGSJGURLWBF-UHFFFAOYSA-N -2 0 321.326 1.311 20 0 DDADRL O=C([O-])C[C@H]1CCCN(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000571295575 421703725 /nfs/dbraw/zinc/70/37/25/421703725.db2.gz OVOFQGWJBOXELY-GFCCVEGCSA-N -2 0 320.345 1.781 20 0 DDADRL CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000630446318 422109324 /nfs/dbraw/zinc/10/93/24/422109324.db2.gz QCSKRPLGGZBXLL-QMMMGPOBSA-N -2 0 307.755 1.529 20 0 DDADRL Cc1ccc(-c2noc(=NC[C@@]3(C(=O)[O-])CCCOC3)[n-]2)cc1 ZINC000630464609 422119103 /nfs/dbraw/zinc/11/91/03/422119103.db2.gz YSPIHABJELAVAL-INIZCTEOSA-N -2 0 317.345 1.760 20 0 DDADRL COC(C)(C)c1nc(=NC(=O)c2ncc(C)cc2[O-])s[n-]1 ZINC000634151458 422290704 /nfs/dbraw/zinc/29/07/04/422290704.db2.gz CWDRPBZROISDNN-UHFFFAOYSA-N -2 0 308.363 1.503 20 0 DDADRL COc1cc(C(=O)[O-])ccc1-n1[n-]c([C@@H]2CCOC2)cc1=O ZINC000634612483 422506387 /nfs/dbraw/zinc/50/63/87/422506387.db2.gz ZLQSLLZHUOKLHH-SNVBAGLBSA-N -2 0 304.302 1.523 20 0 DDADRL Cc1cccc2c(O)c(C(=O)N3CCCC[C@@H]3C(=O)[O-])cnc12 ZINC000577952660 422463845 /nfs/dbraw/zinc/46/38/45/422463845.db2.gz UVNBDMYEVFOKHV-CYBMUJFWSA-N -2 0 314.341 1.916 20 0 DDADRL C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000653315057 423435230 /nfs/dbraw/zinc/43/52/30/423435230.db2.gz QIIUDYQPRUVJQE-ZYHUDNBSSA-N -2 0 315.329 1.656 20 0 DDADRL CO[C@H](CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O)C(C)C ZINC000647130289 423768782 /nfs/dbraw/zinc/76/87/82/423768782.db2.gz OBBZUGYSVBVPCM-LLVKDONJSA-N -2 0 317.363 1.503 20 0 DDADRL O=C([O-])CC[C@H](NS(=O)(=O)CCC1CCCCC1)C(=O)[O-] ZINC000654768053 423885160 /nfs/dbraw/zinc/88/51/60/423885160.db2.gz ZLAHSEIOMDMRGP-NSHDSACASA-N -2 0 321.395 1.194 20 0 DDADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000659763130 424233104 /nfs/dbraw/zinc/23/31/04/424233104.db2.gz CKWSZAMEQITNBS-CMPLNLGQSA-N -2 0 321.329 1.333 20 0 DDADRL C[C@H](CNC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)C(=O)[O-] ZINC000655880386 424689862 /nfs/dbraw/zinc/68/98/62/424689862.db2.gz WQUQBYKRWACUJT-YPMHNXCESA-N -2 0 322.361 1.482 20 0 DDADRL CC(C)C[C@H](CNC(=O)N1CC[C@](C)(C(=O)[O-])C1)C(=O)[O-] ZINC000424430228 279151682 /nfs/dbraw/zinc/15/16/82/279151682.db2.gz MIJXNCZOSMKIGQ-YGRLFVJLSA-N -2 0 300.355 1.240 20 0 DDADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000263341050 300405833 /nfs/dbraw/zinc/40/58/33/300405833.db2.gz NMLRTJNKKKMIHR-UZEXVOJHSA-N -2 0 312.366 1.382 20 0 DDADRL Cc1ccc(-n2[n-]c(C(=O)NCCCC(=O)[O-])cc2=O)cc1 ZINC000262757480 301474109 /nfs/dbraw/zinc/47/41/09/301474109.db2.gz PMUNRRMZLLAKRP-UHFFFAOYSA-N -2 0 303.318 1.069 20 0 DDADRL Cc1ccc([C@H](NC(=O)N=c2[n-]ncs2)C(=O)[O-])cc1C ZINC000518469363 307442516 /nfs/dbraw/zinc/44/25/16/307442516.db2.gz MWFFTZPEUJHBFJ-JTQLQIEISA-N -2 0 306.347 1.524 20 0 DDADRL C[C@H]1CCN(C(=O)N=c2ncn(C(C)(C)C)[n-]2)C[C@H]1C(=O)[O-] ZINC000522002323 307474068 /nfs/dbraw/zinc/47/40/68/307474068.db2.gz SKGGHMFABWFRRA-VHSXEESVSA-N -2 0 309.370 1.030 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)N=c1[n-]ncs1 ZINC000565282482 308027016 /nfs/dbraw/zinc/02/70/16/308027016.db2.gz TZSGDGMZNZICRS-QWRGUYRKSA-N -2 0 318.358 1.782 20 0 DDADRL CC(C)[C@@H](CNC(=O)NCc1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC000655879841 483975097 /nfs/dbraw/zinc/97/50/97/483975097.db2.gz SGFINXXQGNIFJC-GFCCVEGCSA-N -2 0 308.334 1.541 20 0 DDADRL O=C([O-])c1cnc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)c(Cl)c1 ZINC000662895170 484526869 /nfs/dbraw/zinc/52/68/69/484526869.db2.gz BYFGSXYZESCWAL-NGESMGFYSA-N -2 0 300.698 1.069 20 0 DDADRL C[C@@H](NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000663121192 484684921 /nfs/dbraw/zinc/68/49/21/484684921.db2.gz GYYQQPFAHGHSQI-YTWAJWBKSA-N -2 0 313.394 1.985 20 0 DDADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)OCCCC(=O)[O-] ZINC000738139201 597832323 /nfs/dbraw/zinc/83/23/23/597832323.db2.gz OHCPGVRFZFQDPN-UHFFFAOYSA-N -2 0 319.310 1.219 20 0 DDADRL Cc1cccc(S(=O)(=O)[N-]c2cnc(C)nc2)c1C(=O)[O-] ZINC000738888703 599924401 /nfs/dbraw/zinc/92/44/01/599924401.db2.gz OTZYNSRCZDCKMR-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL CC1=C(C(=O)[O-])[C@H](c2cccc(OCCC(=O)[O-])c2)NC(=O)N1 ZINC000736752524 599987011 /nfs/dbraw/zinc/98/70/11/599987011.db2.gz WBCZMXSZLBUAKH-ZDUSSCGKSA-N -2 0 320.301 1.253 20 0 DDADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1nccs1 ZINC000740143620 600052248 /nfs/dbraw/zinc/05/22/48/600052248.db2.gz IBAQGLAIIMSBOD-UHFFFAOYSA-N -2 0 302.308 1.781 20 0 DDADRL COc1cccc(S(=O)(=O)[N-]c2cc(C)[nH]c2C(=O)[O-])c1 ZINC000163445988 600254564 /nfs/dbraw/zinc/25/45/64/600254564.db2.gz QBDIAGGQXAQBLA-UHFFFAOYSA-N -2 0 310.331 1.831 20 0 DDADRL C[C@@H]1CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736783220 600462886 /nfs/dbraw/zinc/46/28/86/600462886.db2.gz XIPBGCGURALFCV-GHMZBOCLSA-N -2 0 305.396 1.514 20 0 DDADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000079705290 600576135 /nfs/dbraw/zinc/57/61/35/600576135.db2.gz DQIPTPYMSQNGJM-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL Cc1cccc(S(=O)(=O)[N-]c2cc(C)c(C)nn2)c1C(=O)[O-] ZINC000738464056 600576825 /nfs/dbraw/zinc/57/68/25/600576825.db2.gz ZNBHAZLZODNCSZ-UHFFFAOYSA-N -2 0 321.358 1.901 20 0 DDADRL CCCc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000314336509 600671636 /nfs/dbraw/zinc/67/16/36/600671636.db2.gz DSQOWXRLQBSHTE-UHFFFAOYSA-N -2 0 323.374 1.721 20 0 DDADRL CCc1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000035651684 600673003 /nfs/dbraw/zinc/67/30/03/600673003.db2.gz BDIXAWBHIOARIF-UHFFFAOYSA-N -2 0 309.347 1.331 20 0 DDADRL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C1CC1 ZINC000826008271 601206551 /nfs/dbraw/zinc/20/65/51/601206551.db2.gz HKFPZXVLLQZHCS-LURJTMIESA-N -2 0 303.361 1.297 20 0 DDADRL CN(CCCC(=O)[O-])C(=O)CSc1n[n-]c(=S)s1 ZINC000830763449 601275955 /nfs/dbraw/zinc/27/59/55/601275955.db2.gz XLEVLSIVQXQBBS-UHFFFAOYSA-N -2 0 307.422 1.242 20 0 DDADRL CCC[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1nnn[n-]1 ZINC000829222792 601303900 /nfs/dbraw/zinc/30/39/00/601303900.db2.gz FTVSPVLOMOSSEO-GFCCVEGCSA-N -2 0 317.349 1.488 20 0 DDADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])s1 ZINC000035426958 601357263 /nfs/dbraw/zinc/35/72/63/601357263.db2.gz QGQFMAYAYJDXQE-UHFFFAOYSA-N -2 0 315.376 1.597 20 0 DDADRL Cc1nnc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)s1 ZINC000123508886 601501421 /nfs/dbraw/zinc/50/14/21/601501421.db2.gz JPGMKOGGLFHHIV-UHFFFAOYSA-N -2 0 305.362 1.407 20 0 DDADRL CCc1ccccc1-n1cc([O-])c(C(=O)NCCCC(=O)[O-])n1 ZINC000830270007 601755810 /nfs/dbraw/zinc/75/58/10/601755810.db2.gz JLHMUGSXTOGOLQ-UHFFFAOYSA-N -2 0 317.345 1.735 20 0 DDADRL Cc1csc([N-]S(=O)(=O)c2csnc2C(=O)[O-])n1 ZINC000832989774 601767001 /nfs/dbraw/zinc/76/70/01/601767001.db2.gz OEBVKGKIZKXASZ-UHFFFAOYSA-N -2 0 305.362 1.407 20 0 DDADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000827303463 602186539 /nfs/dbraw/zinc/18/65/39/602186539.db2.gz FRQPILKKFPFGPW-JTQLQIEISA-N -2 0 323.370 1.531 20 0 DDADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)C1=CCCC1 ZINC000833148195 602240855 /nfs/dbraw/zinc/24/08/55/602240855.db2.gz DCMJDDOAQRWGLB-UHFFFAOYSA-N -2 0 301.345 1.362 20 0 DDADRL CN(Cc1cccc([N-]S(=O)(=O)c2ccn(C)n2)c1)C(=O)[O-] ZINC000739714863 602655177 /nfs/dbraw/zinc/65/51/77/602655177.db2.gz YTRHHCQQQNWGSJ-UHFFFAOYSA-N -2 0 324.362 1.331 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000737798681 602728492 /nfs/dbraw/zinc/72/84/92/602728492.db2.gz JTYXLBVDHMDNQU-GHMZBOCLSA-N -2 0 320.411 1.259 20 0 DDADRL CC(C)(CCC(=O)[N-]S(=O)(=O)c1ccccc1)NC(=O)[O-] ZINC000738742035 602926030 /nfs/dbraw/zinc/92/60/30/602926030.db2.gz XFLTZSDIASBBAA-UHFFFAOYSA-N -2 0 314.363 1.318 20 0 DDADRL C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)[N-]OCc1ccccc1 ZINC000739197498 603113143 /nfs/dbraw/zinc/11/31/43/603113143.db2.gz AFXKZQZUWUBUPV-CMPLNLGQSA-N -2 0 308.334 1.738 20 0 DDADRL O=C([O-])NCCNC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000832658236 603752125 /nfs/dbraw/zinc/75/21/25/603752125.db2.gz KSJBTZUJNYGYAL-UHFFFAOYSA-N -2 0 324.724 1.229 20 0 DDADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1nocc1C ZINC000831950002 605013531 /nfs/dbraw/zinc/01/35/31/605013531.db2.gz KQAMUWZFFIGKQA-UHFFFAOYSA-N -2 0 318.332 1.552 20 0 DDADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)c1 ZINC000833786167 605188881 /nfs/dbraw/zinc/18/88/81/605188881.db2.gz SARRQFKXYQRXLI-UHFFFAOYSA-N -2 0 322.298 1.273 20 0 DDADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ncn1 ZINC000833729269 605264705 /nfs/dbraw/zinc/26/47/05/605264705.db2.gz IMCWNVAWRAWONJ-UHFFFAOYSA-N -2 0 315.332 1.046 20 0 DDADRL CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000824176446 605272684 /nfs/dbraw/zinc/27/26/84/605272684.db2.gz LRTDTRGZRJCWHA-QWRGUYRKSA-N -2 0 320.411 1.257 20 0 DDADRL CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826775312 605277441 /nfs/dbraw/zinc/27/74/41/605277441.db2.gz OGVSISUIHNQLAM-GHMZBOCLSA-N -2 0 320.411 1.401 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)CN(CC2CC2)C(=O)[O-])cc1 ZINC000834066725 605689800 /nfs/dbraw/zinc/68/98/00/605689800.db2.gz VWHCXZHASCIRKV-UHFFFAOYSA-N -2 0 322.317 1.479 20 0 DDADRL O=C([O-])c1ccc(CNC(=O)[C@@H]2CSCN2C(=O)[O-])cc1 ZINC000834283565 606028983 /nfs/dbraw/zinc/02/89/83/606028983.db2.gz QSAIUDUPHKUNIX-JTQLQIEISA-N -2 0 310.331 1.054 20 0 DDADRL O=C([O-])[C@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)[O-])CC1 ZINC000834016129 606029538 /nfs/dbraw/zinc/02/95/38/606029538.db2.gz USAXKDRSTWKJPQ-ZDUSSCGKSA-N -2 0 320.345 1.189 20 0 DDADRL O=C([O-])N[C@H](Cc1ccccc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000834150074 606030045 /nfs/dbraw/zinc/03/00/45/606030045.db2.gz KYBQIIYFPVUYSH-CYBMUJFWSA-N -2 0 320.345 1.189 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)NCCc2ccc(C(=O)[O-])cc2)C1 ZINC000834168797 606031677 /nfs/dbraw/zinc/03/16/77/606031677.db2.gz ICUFLYUJTJDOBX-QWHCGFSZSA-N -2 0 320.345 1.480 20 0 DDADRL O=C([O-])CCCNC(=O)[C@H]1c2ccccc2CCN1C(=O)[O-] ZINC000834060814 606033091 /nfs/dbraw/zinc/03/30/91/606033091.db2.gz XSJLCGSQHXFEIF-CYBMUJFWSA-N -2 0 306.318 1.245 20 0 DDADRL O=C([O-])[C@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])c1ccccc1 ZINC000833986972 606047860 /nfs/dbraw/zinc/04/78/60/606047860.db2.gz FJAWTAYJTCKARK-DGCLKSJQSA-N -2 0 306.318 1.461 20 0 DDADRL O=C([O-])Cn1ccc(NC(=O)c2cccc(NC(=O)[O-])c2)n1 ZINC000834068529 606059203 /nfs/dbraw/zinc/05/92/03/606059203.db2.gz LOUVDEGXHOBLLM-UHFFFAOYSA-N -2 0 304.262 1.310 20 0 DDADRL O=C([O-])Nc1ccccc1CC(=O)[N-]S(=O)(=O)CC1CC1 ZINC000834271589 606093286 /nfs/dbraw/zinc/09/32/86/606093286.db2.gz CLTQPHTZQBEHLR-UHFFFAOYSA-N -2 0 312.347 1.175 20 0 DDADRL CCOCCCNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000132036691 696810322 /nfs/dbraw/zinc/81/03/22/696810322.db2.gz XSCNHXDDMISJPT-UHFFFAOYSA-N -2 0 323.317 1.368 20 0 DDADRL C[C@@H]1CN(C(=O)c2cc(F)c(F)c([O-])c2F)CC[C@H]1C(=O)[O-] ZINC000318984270 698708456 /nfs/dbraw/zinc/70/84/56/698708456.db2.gz JGZUAVMEDGZJSU-RNFRBKRXSA-N -2 0 317.263 1.992 20 0 DDADRL Cc1nc(-c2ccccc2)oc1C(=O)[N-]n1c(=O)[n-][nH]c1=O ZINC000816734622 702169999 /nfs/dbraw/zinc/16/99/99/702169999.db2.gz WPCXMTKHLHKRPC-UHFFFAOYSA-N -2 0 301.262 1.037 20 0 DDADRL C[C@@H](CSCC[N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000843299928 702856042 /nfs/dbraw/zinc/85/60/42/702856042.db2.gz ZSIOTJDKJYQHFB-NKWVEPMBSA-N -2 0 323.358 1.311 20 0 DDADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)C1CC1 ZINC000863952177 706044574 /nfs/dbraw/zinc/04/45/74/706044574.db2.gz MSOSYDBPDROQIR-JTQLQIEISA-N -2 0 317.750 1.256 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000863951578 706044722 /nfs/dbraw/zinc/04/47/22/706044722.db2.gz LPMORRUWGTUWNQ-NSHDSACASA-N -2 0 313.375 1.547 20 0 DDADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)C1CC1 ZINC000863952771 706044943 /nfs/dbraw/zinc/04/49/43/706044943.db2.gz HBLCWVFWXDZTKC-LAUAKBEESA-N -2 0 309.343 1.214 20 0 DDADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1)C1CC1 ZINC000863952768 706045108 /nfs/dbraw/zinc/04/51/08/706045108.db2.gz HBLCWVFWXDZTKC-BCPZQOPPSA-N -2 0 309.343 1.214 20 0 DDADRL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])c1 ZINC000863957129 706046337 /nfs/dbraw/zinc/04/63/37/706046337.db2.gz YEFOUKCDNVPFBC-UHFFFAOYSA-N -2 0 313.375 1.726 20 0 DDADRL Cc1ccsc1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC=CC1 ZINC000863961237 706047015 /nfs/dbraw/zinc/04/70/15/706047015.db2.gz IKUHHPGVFHKLFX-UHFFFAOYSA-N -2 0 315.372 1.282 20 0 DDADRL Cc1nn(C)c(C)c1-c1cc(=O)n(-c2ccccc2C(=O)[O-])[n-]1 ZINC000871947467 707251601 /nfs/dbraw/zinc/25/16/01/707251601.db2.gz AWYDLLRLWGCNKG-UHFFFAOYSA-N -2 0 312.329 1.876 20 0 DDADRL O=C([O-])[C@H]1CSCCN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000910145374 709790265 /nfs/dbraw/zinc/79/02/65/709790265.db2.gz APCWKNVWSCFEFI-SECBINFHSA-N -2 0 315.778 1.935 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)/C=C/c2ccsc2)C1 ZINC000910181070 709800592 /nfs/dbraw/zinc/80/05/92/709800592.db2.gz BYPXDRCGKLQQEX-HOXXMDGGSA-N -2 0 309.343 1.538 20 0 DDADRL CC(C)(C)C1CC(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])C1 ZINC000910184403 709801362 /nfs/dbraw/zinc/80/13/62/709801362.db2.gz QLBDITLZGOHIFY-WNYYMSAVSA-N -2 0 311.378 1.835 20 0 DDADRL C[C@@H]1CCCC[C@@H]1CC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910190969 709805081 /nfs/dbraw/zinc/80/50/81/709805081.db2.gz GWJJLOYCEOLDQO-LPWJVIDDSA-N -2 0 311.378 1.979 20 0 DDADRL CC(C)(C)CN(CC(=O)[O-])C(=O)Cc1ccccc1C(=O)[O-] ZINC000902073545 710604717 /nfs/dbraw/zinc/60/47/17/710604717.db2.gz FXPVGHBPPYIJBB-UHFFFAOYSA-N -2 0 307.346 1.887 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000902100223 710615325 /nfs/dbraw/zinc/61/53/25/710615325.db2.gz YYCHCDNRWDLDPD-JHJVBQTASA-N -2 0 303.314 1.308 20 0 DDADRL C[C@@H]1CN(C(=O)C2(C(=O)[O-])CCCCCC2)CC[C@@H]1C(=O)[O-] ZINC000902174908 710648423 /nfs/dbraw/zinc/64/84/23/710648423.db2.gz CGLCKNBEBUNIGT-NEPJUHHUSA-N -2 0 311.378 1.981 20 0 DDADRL O=C([O-])c1cn(CC(=O)[N-]O[C@H]2CCCCO2)c2ccccc12 ZINC000911799322 710998359 /nfs/dbraw/zinc/99/83/59/710998359.db2.gz JKUFFJCPAMVIDZ-HNNXBMFYSA-N -2 0 318.329 1.914 20 0 DDADRL CCOC(=O)c1n[nH]c([C@@H](C)[N-]C(=O)C(F)(F)C(F)F)n1 ZINC000912364556 711292979 /nfs/dbraw/zinc/29/29/79/711292979.db2.gz YAZQZDGAWXPFLE-SCSAIBSYSA-N -2 0 312.223 1.059 20 0 DDADRL O=C([O-])CCN(C1CC1)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000917736084 713511938 /nfs/dbraw/zinc/51/19/38/713511938.db2.gz SVGXJRWBYMBTDB-UHFFFAOYSA-N -2 0 319.360 1.074 20 0 DDADRL N=C(NC(=O)c1cccc([S-])c1)SCCS(=O)(=O)[O-] ZINC001186157304 744352553 /nfs/dbraw/zinc/35/25/53/744352553.db2.gz XJJRMEHKNGBYIC-UHFFFAOYSA-N -2 0 320.417 1.261 20 0 DDADRL CC(C)(C)c1ccc(C(=O)NCCOP(=O)([O-])[O-])s1 ZINC001188256434 744682485 /nfs/dbraw/zinc/68/24/85/744682485.db2.gz CTZXCVJXGMFDBO-UHFFFAOYSA-N -2 0 307.308 1.885 20 0 DDADRL Cc1nocc1CNC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189900055 745048387 /nfs/dbraw/zinc/04/83/87/745048387.db2.gz OHEDUMXPDQAVQP-UHFFFAOYSA-N -2 0 312.218 1.385 20 0 DDADRL Cc1ccnnc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192113977 745692967 /nfs/dbraw/zinc/69/29/67/745692967.db2.gz SPJYCKANJUYNPG-UHFFFAOYSA-N -2 0 321.358 1.603 20 0 DDADRL COc1cccc(NC(=S)NCCOP(=O)([O-])[O-])c1 ZINC001196067000 746765253 /nfs/dbraw/zinc/76/52/53/746765253.db2.gz UZRAWHBSHGEEIS-UHFFFAOYSA-N -2 0 306.280 1.091 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccn2ccnc12 ZINC001198738716 747585370 /nfs/dbraw/zinc/58/53/70/747585370.db2.gz FJGOXFHLDDFRLO-UHFFFAOYSA-N -2 0 317.326 1.833 20 0 DDADRL CC(=O)c1ccncc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198742306 747586766 /nfs/dbraw/zinc/58/67/66/747586766.db2.gz ZCWFEYHNWVCLTD-UHFFFAOYSA-N -2 0 320.326 1.783 20 0 DDADRL CN(C)c1ncc2cc(NCCOP(=O)([O-])[O-])ccc2n1 ZINC001168591119 751214997 /nfs/dbraw/zinc/21/49/97/751214997.db2.gz IQBYOTQHUIAXJQ-UHFFFAOYSA-N -2 0 312.266 1.217 20 0 DDADRL Cc1nc(NCCOP(=O)([O-])[O-])ccc1Br ZINC001168591804 751221571 /nfs/dbraw/zinc/22/15/71/751221571.db2.gz YLQJLAZYMJANQR-UHFFFAOYSA-N -2 0 311.072 1.674 20 0 DDADRL O=C([O-])C[C@@H](C(=O)OCCC1CCCCC1)[C@@H](O)C(=O)[O-] ZINC001206041314 766165968 /nfs/dbraw/zinc/16/59/68/766165968.db2.gz LQBCDNSZEJPDJC-ZYHUDNBSSA-N -2 0 302.323 1.036 20 0 DDADRL CCOC(=O)c1nc(NC(=O)C2(C(=O)[O-])CCCCC2)c[nH]1 ZINC001180435422 779759354 /nfs/dbraw/zinc/75/93/54/779759354.db2.gz WPHLHSDGSRWDSB-UHFFFAOYSA-N -2 0 309.322 1.560 20 0 DDADRL Cn1nncc1[N-]S(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260869194 857087391 /nfs/dbraw/zinc/08/73/91/857087391.db2.gz FOEYBJFOUWPMGJ-UHFFFAOYSA-N -2 0 323.161 1.628 20 0 DDADRL O=P([O-])([O-])OCCNc1cncc(N2CCCCCC2)n1 ZINC001157795420 864149723 /nfs/dbraw/zinc/14/97/23/864149723.db2.gz CANBUEOUDXWIMY-UHFFFAOYSA-N -2 0 316.298 1.378 20 0 DDADRL Cc1cc(Cl)cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001227984893 883268019 /nfs/dbraw/zinc/26/80/19/883268019.db2.gz NZUYWNRBRGERIO-ONGXEEELSA-N -2 0 316.693 1.090 20 0 DDADRL O=P([O-])([O-])c1ccc(NCc2cn3cccnc3n2)cc1 ZINC001161909613 867091222 /nfs/dbraw/zinc/09/12/22/867091222.db2.gz UXDIIKSBAFDAHS-UHFFFAOYSA-N -2 0 304.246 1.144 20 0 DDADRL Cc1ccc(Cl)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225875338 882079937 /nfs/dbraw/zinc/07/99/37/882079937.db2.gz FNTZZNBGWITXOW-KCJUWKMLSA-N -2 0 316.693 1.090 20 0 DDADRL CC(C)c1cccc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001223949049 881158145 /nfs/dbraw/zinc/15/81/45/881158145.db2.gz RROWFMMVGQQFQH-JSGCOSHPSA-N -2 0 324.329 1.390 20 0 DDADRL CC(C)(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1ccccc1 ZINC001223956923 881162693 /nfs/dbraw/zinc/16/26/93/881162693.db2.gz WRIBVFPRKOEDLH-CMPLNLGQSA-N -2 0 310.302 1.001 20 0 DDADRL CCCOC(=O)[C@@H](C)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234332382 887868366 /nfs/dbraw/zinc/86/83/66/887868366.db2.gz PBDNFRRRNZVDGY-SECBINFHSA-N -2 0 304.235 1.879 20 0 DDADRL COC(=O)C1(C)CC(Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234337044 887882956 /nfs/dbraw/zinc/88/29/56/887882956.db2.gz WKOGJWAEADGNSI-UHFFFAOYSA-N -2 0 316.246 1.879 20 0 DDADRL C[C@@H](NC(=O)c1s[n-]c(=O)c1Cl)c1nn(C)cc1[O-] ZINC001365120251 890141532 /nfs/dbraw/zinc/14/15/32/890141532.db2.gz NVEQZNXQWHZILF-SCSAIBSYSA-N -2 0 302.743 1.432 20 0 DDADRL O=P([O-])([O-])c1ccc(-c2cnn(Cc3ccncc3)c2)cc1 ZINC001239050594 890484199 /nfs/dbraw/zinc/48/41/99/890484199.db2.gz CKHHUVQMDWCKPE-UHFFFAOYSA-N -2 0 315.269 1.796 20 0 DDADRL O=C([O-])c1cc(-c2ccc3c(c2)S(=O)(=O)[N-]C3=O)ccc1F ZINC001241246424 891137249 /nfs/dbraw/zinc/13/72/49/891137249.db2.gz SCGHKLFRLUPPTO-UHFFFAOYSA-N -2 0 321.285 1.623 20 0 DDADRL O=C([O-])c1cccc(-c2ccc3c(c2)C(=O)[N-]S3(=O)=O)c1 ZINC001241359798 891151409 /nfs/dbraw/zinc/15/14/09/891151409.db2.gz QPIYKGXZAMNANU-UHFFFAOYSA-N -2 0 303.295 1.484 20 0 DDADRL COC(=O)c1ncncc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242162211 891356633 /nfs/dbraw/zinc/35/66/33/891356633.db2.gz QSNLZCBKCVZANZ-UHFFFAOYSA-N -2 0 302.242 1.327 20 0 DDADRL COc1ccc(C(=O)[O-])cc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001242392344 891407478 /nfs/dbraw/zinc/40/74/78/891407478.db2.gz RYPLEFQFQZZHEV-UHFFFAOYSA-N -3 0 308.226 1.863 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cncc(Cl)n2)cc1 ZINC001260221314 899094889 /nfs/dbraw/zinc/09/48/89/899094889.db2.gz PBAYPSPRILWQLS-UHFFFAOYSA-N -2 0 313.722 1.629 20 0 DDADRL CCc1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cn1 ZINC000446992282 529758958 /nfs/dbraw/zinc/75/89/58/529758958.db2.gz BXKCHIYJJCUFQC-UHFFFAOYSA-N -2 0 321.358 1.846 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cnc3n2CCC3)cc(C(=O)[O-])c1 ZINC000350518507 539410682 /nfs/dbraw/zinc/41/06/82/539410682.db2.gz UOBMBRGUCBMKJX-UHFFFAOYSA-N -2 0 321.358 1.637 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2cnoc2)ccc1OCC(=O)[O-] ZINC000623946463 366125231 /nfs/dbraw/zinc/12/52/31/366125231.db2.gz IKIAPVAYZXLUPM-UHFFFAOYSA-N -2 0 312.303 1.247 20 0 DDADRL Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cnc([O-])n(C)c1=O ZINC000349466662 283937475 /nfs/dbraw/zinc/93/74/75/283937475.db2.gz NWQZZTVTPYJRCH-UHFFFAOYSA-N -2 0 317.301 1.053 20 0 DDADRL CCCc1nc(=NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])s[n-]1 ZINC000424391147 284118128 /nfs/dbraw/zinc/11/81/28/284118128.db2.gz PRIUALWSSRAEOJ-SECBINFHSA-N -2 0 314.411 1.781 20 0 DDADRL COC[C@H](C)S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC ZINC000274898422 212018736 /nfs/dbraw/zinc/01/87/36/212018736.db2.gz HPVNMKMZZIOQSF-QMMMGPOBSA-N -2 0 303.336 1.170 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c[nH]1 ZINC000078677212 407039760 /nfs/dbraw/zinc/03/97/60/407039760.db2.gz WIIMBVOXISKSHW-UHFFFAOYSA-N -2 0 305.315 1.995 20 0 DDADRL COc1ccccc1N=c1[n-]nc(SCc2nnn[n-]2)s1 ZINC000353212700 410858096 /nfs/dbraw/zinc/85/80/96/410858096.db2.gz BBFLVYJNMNYFSO-UHFFFAOYSA-N -2 0 321.391 1.518 20 0 DDADRL Cc1oncc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000433813799 229236252 /nfs/dbraw/zinc/23/62/52/229236252.db2.gz RYBGQSJFXOZIOU-UHFFFAOYSA-N -2 0 312.303 1.247 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cn1 ZINC000430977682 420230776 /nfs/dbraw/zinc/23/07/76/420230776.db2.gz LWUNVRZVSCZYRL-UHFFFAOYSA-N -2 0 306.343 1.818 20 0 DDADRL CC[C@@](C)(NS(=O)(=O)c1cn(C)c(C(C)C)n1)C(=O)[O-] ZINC000563068226 421449861 /nfs/dbraw/zinc/44/98/61/421449861.db2.gz LYFITNCGUYIUQX-GFCCVEGCSA-N -2 0 303.384 1.075 20 0 DDADRL O=C([O-])[C@H]1CCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000551842300 421544368 /nfs/dbraw/zinc/54/43/68/421544368.db2.gz REDSJOALEWOIIV-LLVKDONJSA-N -2 0 319.292 1.406 20 0 DDADRL CO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O)C(C)C ZINC000647124683 423764352 /nfs/dbraw/zinc/76/43/52/423764352.db2.gz UGEFLMJIZZJGFE-GFCCVEGCSA-N -2 0 317.363 1.503 20 0 DDADRL CC(C)C[C@H](CNC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC000424429773 279152185 /nfs/dbraw/zinc/15/21/85/279152185.db2.gz KMXZXHDIHLPWOX-TUAOUCFPSA-N -2 0 314.382 1.486 20 0 DDADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc3n2CCC3)c(O)c1 ZINC000361967179 299972963 /nfs/dbraw/zinc/97/29/63/299972963.db2.gz RKROETFOZLZERG-UHFFFAOYSA-N -2 0 323.330 1.034 20 0 DDADRL C[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000576231397 308299433 /nfs/dbraw/zinc/29/94/33/308299433.db2.gz GIANEWXYXNMOFD-RXMQYKEDSA-N -2 0 313.709 1.617 20 0 DDADRL O=C([O-])CSCC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000584053455 331654335 /nfs/dbraw/zinc/65/43/35/331654335.db2.gz MALQAOGGKIKHCW-NEPJUHHUSA-N -2 0 323.370 1.131 20 0 DDADRL CCn1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)n1 ZINC000389186541 483976159 /nfs/dbraw/zinc/97/61/59/483976159.db2.gz ZONDLVSQHOLQPW-UHFFFAOYSA-N -2 0 323.374 1.721 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)[C@H](C(=O)[O-])C2CCCC2)c1 ZINC000663025493 484608937 /nfs/dbraw/zinc/60/89/37/484608937.db2.gz ICJIDKMDNOKRJR-CYBMUJFWSA-N -2 0 305.330 1.892 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)C1 ZINC000663134269 484694193 /nfs/dbraw/zinc/69/41/93/484694193.db2.gz HLLXZYIMAFWQKY-WDMOLILDSA-N -2 0 317.341 1.698 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000739545753 599727359 /nfs/dbraw/zinc/72/73/59/599727359.db2.gz BSPYIVSAIAOAKN-QWHCGFSZSA-N -2 0 319.338 1.365 20 0 DDADRL CCCn1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000737049319 600055520 /nfs/dbraw/zinc/05/55/20/600055520.db2.gz FCKIMRLIZZHONK-UHFFFAOYSA-N -2 0 315.376 1.854 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2cccc(NC(=O)[O-])c2)cn1 ZINC000737303215 600097620 /nfs/dbraw/zinc/09/76/20/600097620.db2.gz UXRJBKCAPFWOMK-UHFFFAOYSA-N -2 0 310.335 1.794 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nccs2)c(F)cc1F ZINC000740089227 600422797 /nfs/dbraw/zinc/42/27/97/600422797.db2.gz BNBXQOYGGZZEOK-UHFFFAOYSA-N -2 0 320.298 1.920 20 0 DDADRL O=C([O-])Cc1nc(NC(=O)c2ccc3[n-]c(=S)oc3c2)n[nH]1 ZINC000833270729 600957303 /nfs/dbraw/zinc/95/73/03/600957303.db2.gz YCMMPEODSLMLCV-UHFFFAOYSA-N -2 0 319.302 1.114 20 0 DDADRL CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000830104772 601362451 /nfs/dbraw/zinc/36/24/51/601362451.db2.gz RGWBJZVTIFMSRQ-UHFFFAOYSA-N -2 0 322.342 1.979 20 0 DDADRL C[C@@H]1CC/C(=C\C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000828200474 601546356 /nfs/dbraw/zinc/54/63/56/601546356.db2.gz GMRQTCFSKSDTMX-MXBGMFSPSA-N -2 0 323.370 1.936 20 0 DDADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000833347142 601603230 /nfs/dbraw/zinc/60/32/30/601603230.db2.gz VDJFILNADOAJQM-UHFFFAOYSA-N -2 0 320.298 1.920 20 0 DDADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000833346512 601603319 /nfs/dbraw/zinc/60/33/19/601603319.db2.gz KKJVAWORBDUKRS-UHFFFAOYSA-N -2 0 320.298 1.920 20 0 DDADRL CCN(CCC(=O)[O-])C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000829701583 601757331 /nfs/dbraw/zinc/75/73/31/601757331.db2.gz HPCHWEHRCBNQEH-UHFFFAOYSA-N -2 0 321.308 1.654 20 0 DDADRL Cc1oc(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)cc1C(=O)[O-] ZINC000833026709 601851829 /nfs/dbraw/zinc/85/18/29/601851829.db2.gz INRZXFUXDFKWRS-UHFFFAOYSA-N -2 0 313.335 1.934 20 0 DDADRL O=C([O-])N1CCC[C@H](CNC(=O)c2c([O-])cc(F)cc2F)C1 ZINC000740419954 602032391 /nfs/dbraw/zinc/03/23/91/602032391.db2.gz ZELCOEOCKAHERJ-MRVPVSSYSA-N -2 0 314.288 1.790 20 0 DDADRL Cn1c(Cl)ncc1S(=O)(=O)[N-]c1csnc1C(=O)[O-] ZINC000833039963 602202103 /nfs/dbraw/zinc/20/21/03/602202103.db2.gz XIHQGFAQEPXDOI-UHFFFAOYSA-N -2 0 322.755 1.029 20 0 DDADRL CC(C)(CC(=O)NCc1ccc(CCNC(=O)[O-])cc1)C(=O)[O-] ZINC000738735958 602789538 /nfs/dbraw/zinc/78/95/38/602789538.db2.gz WSOFMYAKUSTONP-UHFFFAOYSA-N -2 0 322.361 1.614 20 0 DDADRL O=C([O-])NC[C@H](NC(=O)c1c([O-])cc(F)cc1F)C1CC1 ZINC000740611933 603104805 /nfs/dbraw/zinc/10/48/05/603104805.db2.gz NENOOYLMMRVUKX-VIFPVBQESA-N -2 0 300.261 1.446 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000826571245 604188266 /nfs/dbraw/zinc/18/82/66/604188266.db2.gz DLNBPLRJHUVALW-CYBMUJFWSA-N -2 0 320.411 1.259 20 0 DDADRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833403117 604685333 /nfs/dbraw/zinc/68/53/33/604685333.db2.gz AQXBODVFEYZNHK-UHFFFAOYSA-N -2 0 320.326 1.783 20 0 DDADRL CC(C)(CCC(=O)[O-])NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC000833456844 604880574 /nfs/dbraw/zinc/88/05/74/604880574.db2.gz DLTOQYFCWLNDKI-UHFFFAOYSA-N -2 0 315.347 1.307 20 0 DDADRL O=C([O-])CSCCNC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000833261439 604998733 /nfs/dbraw/zinc/99/87/33/604998733.db2.gz KIDVDXBXMYOVLK-UHFFFAOYSA-N -2 0 307.730 1.732 20 0 DDADRL CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(Cl)c1[O-] ZINC000833505031 605261816 /nfs/dbraw/zinc/26/18/16/605261816.db2.gz GPBOQJXVJYPISS-NSHDSACASA-N -2 0 315.753 1.996 20 0 DDADRL CC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833639869 605678420 /nfs/dbraw/zinc/67/84/20/605678420.db2.gz ZJLDICLWCFHZSM-YUMQZZPRSA-N -2 0 319.404 1.933 20 0 DDADRL O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000834187748 605956177 /nfs/dbraw/zinc/95/61/77/605956177.db2.gz ZCTIJLFUHGSVHN-BDAKNGLRSA-N -2 0 312.326 1.160 20 0 DDADRL O=C([O-])N[C@H]1CCC[C@@H]1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000834170715 606028560 /nfs/dbraw/zinc/02/85/60/606028560.db2.gz AYLIOTPMWCVLEP-RYUDHWBXSA-N -2 0 306.318 1.437 20 0 DDADRL C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)[N-]O[C@H]1CCCCO1 ZINC000833829791 606029819 /nfs/dbraw/zinc/02/98/19/606029819.db2.gz KXCKLFNYPBFQDE-MJVIPROJSA-N -2 0 300.355 1.777 20 0 DDADRL O=C([O-])CC1CCN(C(=O)c2ccc(CNC(=O)[O-])cc2)CC1 ZINC000834061685 606036929 /nfs/dbraw/zinc/03/69/29/606036929.db2.gz XUUYTSKEKVHTGD-UHFFFAOYSA-N -2 0 320.345 1.781 20 0 DDADRL O=C([O-])CN(C(=O)c1ccc(CNC(=O)[O-])o1)C1CCCCC1 ZINC000834065368 606051922 /nfs/dbraw/zinc/05/19/22/606051922.db2.gz LGBVALNFMGXOTA-UHFFFAOYSA-N -2 0 324.333 1.907 20 0 DDADRL O=C([O-])COc1cccc(NC(=O)[C@@H]2CCCN2C(=O)[O-])c1 ZINC000834066295 606057047 /nfs/dbraw/zinc/05/70/47/606057047.db2.gz RYEQRWMEQXRIBJ-NSHDSACASA-N -2 0 308.290 1.231 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)CN(CC2CC2)C(=O)[O-])CC1 ZINC000834060100 606113635 /nfs/dbraw/zinc/11/36/35/606113635.db2.gz NLAHUFDCDZYLPE-UHFFFAOYSA-N -2 0 312.366 1.480 20 0 DDADRL O=C([O-])CCN(CC1CC1)C(=O)c1nnc2ccccc2c1O ZINC000738588524 699762895 /nfs/dbraw/zinc/76/28/95/699762895.db2.gz KVEQDENXHGKNOJ-UHFFFAOYSA-N -2 0 315.329 1.662 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000842782627 702772846 /nfs/dbraw/zinc/77/28/46/702772846.db2.gz QZFXEZLBAAEESS-YIZRAAEISA-N -2 0 324.299 1.059 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C[C@@H](CC1CC1)C(=O)[O-] ZINC000844821424 703075953 /nfs/dbraw/zinc/07/59/53/703075953.db2.gz ODFXYWNQAFHSKF-POYBYMJQSA-N -2 0 303.302 1.358 20 0 DDADRL O=C([O-])CCN(C1CC1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000849157375 703622395 /nfs/dbraw/zinc/62/23/95/703622395.db2.gz QICDBNOVEVZGER-UHFFFAOYSA-N -2 0 313.331 1.013 20 0 DDADRL O=C([O-])C1CCC(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CC1 ZINC000851693654 703831457 /nfs/dbraw/zinc/83/14/57/703831457.db2.gz OFSIBJAILDYHAO-VQXHTEKXSA-N -2 0 322.365 1.107 20 0 DDADRL C[C@@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnn(C)c2)cc1 ZINC000825448656 705672894 /nfs/dbraw/zinc/67/28/94/705672894.db2.gz GRWRXBCQQPDSLZ-SECBINFHSA-N -2 0 324.362 1.550 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000863417093 705923451 /nfs/dbraw/zinc/92/34/51/705923451.db2.gz RQUBESLCIBFRKX-XHNCKOQMSA-N -2 0 317.329 1.890 20 0 DDADRL Cc1cccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)c1 ZINC000863953220 706044955 /nfs/dbraw/zinc/04/49/55/706044955.db2.gz QJONIMNRFPJYMO-UHFFFAOYSA-N -2 0 309.343 1.221 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccsc2)C1 ZINC000863956648 706046116 /nfs/dbraw/zinc/04/61/16/706046116.db2.gz RELWXYOUIGDIAH-JGVFFNPUSA-N -2 0 303.361 1.054 20 0 DDADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)C1CCCC1)C1CCCC1 ZINC000863957349 706046138 /nfs/dbraw/zinc/04/61/38/706046138.db2.gz YAYPVQRWXAWWMI-LLVKDONJSA-N -2 0 303.380 1.266 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)c(F)c1 ZINC000863957159 706046183 /nfs/dbraw/zinc/04/61/83/706046183.db2.gz UJXYFJKDOGAIRA-NSHDSACASA-N -2 0 315.322 1.050 20 0 DDADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)CCC(F)(F)F ZINC000863960980 706046900 /nfs/dbraw/zinc/04/69/00/706046900.db2.gz GTZDLNQUIOVGBB-ZCFIWIBFSA-N -2 0 319.301 1.132 20 0 DDADRL Cc1ccsc1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCC1 ZINC000863960836 706047116 /nfs/dbraw/zinc/04/71/16/706047116.db2.gz AYTIAPAHCWUERT-UHFFFAOYSA-N -2 0 303.361 1.116 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000863963786 706047444 /nfs/dbraw/zinc/04/74/44/706047444.db2.gz HDRRHDSSAGCRMS-IIRVCBMXSA-N -2 0 315.391 1.122 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC000910181336 709800236 /nfs/dbraw/zinc/80/02/36/709800236.db2.gz CVTLZZUUGVRODO-TUAOUCFPSA-N -2 0 309.362 1.733 20 0 DDADRL Cc1c(F)cccc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910181550 709800240 /nfs/dbraw/zinc/80/02/40/709800240.db2.gz CHZGJAFSMNBVCR-CABZTGNLSA-N -2 0 309.293 1.524 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@H]2C[C@@H]2C2CCCC2)C1 ZINC000910185157 709801388 /nfs/dbraw/zinc/80/13/88/709801388.db2.gz UWUUBBYXYGNWHA-FVCCEPFGSA-N -2 0 309.362 1.589 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC000910185411 709802075 /nfs/dbraw/zinc/80/20/75/709802075.db2.gz ZHVXSUOHANBXMB-IXLVHKGHSA-N -2 0 323.370 1.628 20 0 DDADRL Cc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])sc1C ZINC000910185393 709802080 /nfs/dbraw/zinc/80/20/80/709802080.db2.gz JATMNWCNIXTYHE-NXEZZACHSA-N -2 0 311.359 1.755 20 0 DDADRL Cc1cc(C)cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910186870 709802567 /nfs/dbraw/zinc/80/25/67/709802567.db2.gz WCOCRGULTSLMCE-AAEUAGOBSA-N -2 0 305.330 1.693 20 0 DDADRL C[C@H](CC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])n1cccc1 ZINC000910188604 709803683 /nfs/dbraw/zinc/80/36/83/709803683.db2.gz MUXLUSPPRQAHTP-IJLUTSLNSA-N -2 0 308.334 1.216 20 0 DDADRL Cn1cc(Cl)cc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910192998 709806221 /nfs/dbraw/zinc/80/62/21/709806221.db2.gz ZXTFWGUVMXYGFJ-IONNQARKSA-N -2 0 314.725 1.069 20 0 DDADRL CCCN(CC1CC1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906799061 712414030 /nfs/dbraw/zinc/41/40/30/712414030.db2.gz OSNSFXWIDGIFAG-UHFFFAOYSA-N -2 0 313.375 1.901 20 0 DDADRL CC(C)CCN(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906822958 712417916 /nfs/dbraw/zinc/41/79/16/712417916.db2.gz IXLIAEMPASSNHZ-UHFFFAOYSA-N -2 0 301.364 1.757 20 0 DDADRL CCCN(C(C)C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000907027471 712468658 /nfs/dbraw/zinc/46/86/58/712468658.db2.gz TVYVPUQUXAENHE-UHFFFAOYSA-N -2 0 301.364 1.900 20 0 DDADRL O=C([O-])c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000212210403 741575665 /nfs/dbraw/zinc/57/56/65/741575665.db2.gz OOTIPYAQKHFRPS-AWEZNQCLSA-N -2 0 313.309 1.811 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])[C@H]1C[C@@H]1c1ccccc1F ZINC001182284097 743551515 /nfs/dbraw/zinc/55/15/15/743551515.db2.gz CFCQBUNZVSJSCG-ZJUUUORDSA-N -2 0 303.226 1.155 20 0 DDADRL O=C(NCCCC[P@@](=O)([O-])O)C12CCC(CO)(CC1)CC2 ZINC001182707669 743701892 /nfs/dbraw/zinc/70/18/92/743701892.db2.gz ZGCJBJCPNYWVCQ-UHFFFAOYSA-N -2 0 319.338 1.393 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccn2ccnc2c1 ZINC001198750677 747599201 /nfs/dbraw/zinc/59/92/01/747599201.db2.gz SKXXSZNFVSUMIJ-UHFFFAOYSA-N -2 0 317.326 1.833 20 0 DDADRL Cc1c(Cl)nc(Cl)nc1NCCOP(=O)([O-])[O-] ZINC001168587761 751185753 /nfs/dbraw/zinc/18/57/53/751185753.db2.gz VJEAQVQAOKQEHR-UHFFFAOYSA-N -2 0 302.054 1.613 20 0 DDADRL Nc1cncc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1 ZINC001175221288 777720073 /nfs/dbraw/zinc/72/00/73/777720073.db2.gz XSTIVNVZNPUEIB-UHFFFAOYSA-N -2 0 311.294 1.302 20 0 DDADRL Cc1nc(N)c2ncnc-2n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238485 778089185 /nfs/dbraw/zinc/08/91/85/778089185.db2.gz GMTFLALCGDAKNX-UHFFFAOYSA-N -2 0 313.273 1.054 20 0 DDADRL CC(C)(C)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001225257753 881745771 /nfs/dbraw/zinc/74/57/71/881745771.db2.gz QKNOLLKEIGWQCB-DGCLKSJQSA-N -2 0 324.329 1.426 20 0 DDADRL COc1ccc(C(=O)CNc2ccc(P(=O)([O-])[O-])cc2)cc1 ZINC001161807466 867008534 /nfs/dbraw/zinc/00/85/34/867008534.db2.gz KTJNPNBYCJEVQQ-UHFFFAOYSA-N -2 0 321.269 1.793 20 0 DDADRL Cc1ccc(Cl)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225875336 882079508 /nfs/dbraw/zinc/07/95/08/882079508.db2.gz FNTZZNBGWITXOW-GZMMTYOYSA-N -2 0 316.693 1.090 20 0 DDADRL O=C(Nc1ccc(CO)cc1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001219058157 877894725 /nfs/dbraw/zinc/89/47/25/877894725.db2.gz ASDPLDFIXRWPEB-UHFFFAOYSA-N -2 0 323.326 1.384 20 0 DDADRL CC(C)c1ccccc1COC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001223911654 881143600 /nfs/dbraw/zinc/14/36/00/881143600.db2.gz WPXXLCZEUNOJSY-GFCCVEGCSA-N -2 0 318.262 1.323 20 0 DDADRL CCCC(=O)c1ccc([O-])cc1OC(=O)[C@H](O)CCC(=O)[O-] ZINC001233650942 887191010 /nfs/dbraw/zinc/19/10/10/887191010.db2.gz UGYYJROUVXYUPL-GFCCVEGCSA-N -2 0 310.302 1.506 20 0 DDADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(C2CCC2)cc1)[C@H](O)C(=O)[O-] ZINC001234300925 887841108 /nfs/dbraw/zinc/84/11/08/887841108.db2.gz PUWLWNIMPFOJAV-OCCSQVGLSA-N -2 0 322.313 1.396 20 0 DDADRL CN(C)C(=O)c1cccnc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242159649 891353693 /nfs/dbraw/zinc/35/36/93/891353693.db2.gz PHKYXUZDQFGQME-UHFFFAOYSA-N -2 0 314.297 1.847 20 0 DDADRL Nc1nc2c(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc(F)cn2n1 ZINC001242162908 891356176 /nfs/dbraw/zinc/35/61/76/891356176.db2.gz MOGIBOMNPAHMQV-UHFFFAOYSA-N -2 0 316.248 1.514 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001242163815 891359194 /nfs/dbraw/zinc/35/91/94/891359194.db2.gz MTALCIOQQMCQMH-UHFFFAOYSA-N -4 0 322.209 1.553 20 0 DDADRL O=c1cc(CC(F)(F)F)[n-]n1-c1ccccc1S(=O)(=O)[O-] ZINC001245953067 892285368 /nfs/dbraw/zinc/28/53/68/892285368.db2.gz WMUJGHIPDCOYOU-UHFFFAOYSA-N -2 0 322.264 1.929 20 0 DDADRL Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(N)=O)c(O)c1 ZINC001259490637 898695859 /nfs/dbraw/zinc/69/58/59/898695859.db2.gz HDWNEUBWDNEFEI-UHFFFAOYSA-N -2 0 324.333 1.739 20 0 DDADRL COc1ccnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001260221134 899096266 /nfs/dbraw/zinc/09/62/66/899096266.db2.gz KNEBQAXPWQJYAS-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL CCc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(CC)c1 ZINC000337877760 539325681 /nfs/dbraw/zinc/32/56/81/539325681.db2.gz VVPLUNZOQNMFPL-UHFFFAOYSA-N -2 0 313.335 1.557 20 0 DDADRL O=C([O-])C1(NS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000149868857 354174225 /nfs/dbraw/zinc/17/42/25/354174225.db2.gz UYQGLPNVDDSVKV-UHFFFAOYSA-N -2 0 310.158 1.889 20 0 DDADRL O=C([O-])C[C@@H](CNS(=O)(=O)CCC1CCCCC1)C(=O)[O-] ZINC000584823692 354775907 /nfs/dbraw/zinc/77/59/07/354775907.db2.gz PJMZOWHARXCJRK-NSHDSACASA-N -2 0 321.395 1.052 20 0 DDADRL CN(Cc1ccccc1)C(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000274968750 212049144 /nfs/dbraw/zinc/04/91/44/212049144.db2.gz CDKBZDDWPFOBSO-MRXNPFEDSA-N -2 0 320.345 1.490 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)nn1C ZINC000336845675 249252111 /nfs/dbraw/zinc/25/21/11/249252111.db2.gz CNKJAQXAFIYWCT-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cn1C ZINC000336847056 249252614 /nfs/dbraw/zinc/25/26/14/249252614.db2.gz CLJFYXRHSUSQCC-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL CCn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cn1 ZINC000336847645 249255166 /nfs/dbraw/zinc/25/51/66/249255166.db2.gz XOLOMOUSSWUIAS-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000339073931 250281744 /nfs/dbraw/zinc/28/17/44/250281744.db2.gz AWMQKJXWEBBZNC-UHFFFAOYSA-N -2 0 313.335 1.383 20 0 DDADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cncnc1 ZINC000231773564 163351052 /nfs/dbraw/zinc/35/10/52/163351052.db2.gz JWVDKMXCINPQPS-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL CC[C@H](C)CO[N-]C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000293858061 409195749 /nfs/dbraw/zinc/19/57/49/409195749.db2.gz XOVVSBBHFSBDHU-JTQLQIEISA-N -2 0 321.402 1.779 20 0 DDADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cn(C)cn2)cc1 ZINC000317646915 164027726 /nfs/dbraw/zinc/02/77/26/164027726.db2.gz RHROEWCQFXZUQH-JTQLQIEISA-N -2 0 323.374 1.799 20 0 DDADRL O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1ncccc1[O-] ZINC000337382353 410746168 /nfs/dbraw/zinc/74/61/68/410746168.db2.gz BLIUVNVSRNPFRI-UHFFFAOYSA-N -2 0 312.354 1.904 20 0 DDADRL CC[C@H](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C(=O)[O-] ZINC000647768286 423038290 /nfs/dbraw/zinc/03/82/90/423038290.db2.gz JCVOFJPDBDSTHC-NSHDSACASA-N -2 0 303.318 1.067 20 0 DDADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(C)c2)c1C ZINC000032630746 418413352 /nfs/dbraw/zinc/41/33/52/418413352.db2.gz KICRRZSSMINYLC-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CCCc1nc(=NC(=O)NCc2ccc(C(=O)[O-])cc2)s[n-]1 ZINC000417803014 420484110 /nfs/dbraw/zinc/48/41/10/420484110.db2.gz XRBXFQGCUPYBCN-UHFFFAOYSA-N -2 0 320.374 1.932 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000570683486 421662703 /nfs/dbraw/zinc/66/27/03/421662703.db2.gz RPVJGWBOOPPRHX-JTQLQIEISA-N -2 0 323.374 1.712 20 0 DDADRL COC(C)(C)c1nc(=NC(=O)c2ccc([O-])c(F)c2)s[n-]1 ZINC000634152086 422290919 /nfs/dbraw/zinc/29/09/19/422290919.db2.gz URNAKSJOFXDSEG-UHFFFAOYSA-N -2 0 311.338 1.939 20 0 DDADRL O=C([O-])c1ccc(C(=O)NC2(c3nnn[n-]3)CCCC2)cc1 ZINC000577735086 422416874 /nfs/dbraw/zinc/41/68/74/422416874.db2.gz VAIHWVVMLMBULH-UHFFFAOYSA-N -2 0 301.306 1.097 20 0 DDADRL O=S(=O)(C[C@H]1CCCCO1)[N-]c1cc(F)cc(F)c1[O-] ZINC000641691321 423870064 /nfs/dbraw/zinc/87/00/64/423870064.db2.gz CRIBIEZKXUNCKG-SECBINFHSA-N -2 0 307.318 1.981 20 0 DDADRL C[C@@](CNC(=O)NCCCCC(=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000652098194 423855804 /nfs/dbraw/zinc/85/58/04/423855804.db2.gz NRSRRTQGZRXTCL-INIZCTEOSA-N -2 0 322.361 1.583 20 0 DDADRL O=C([O-])c1ccc(C(=O)N=c2[n-]nc(C(F)(F)F)s2)nc1 ZINC000642219765 424135623 /nfs/dbraw/zinc/13/56/23/424135623.db2.gz HDOHDXANAFIFBC-UHFFFAOYSA-N -2 0 318.236 1.324 20 0 DDADRL O=C([O-])c1ccc(CNC(=O)NC[C@H](C(=O)[O-])C2CCC2)cc1 ZINC000665313348 424780357 /nfs/dbraw/zinc/78/03/57/424780357.db2.gz HXXHRDWLIDNKIC-ZDUSSCGKSA-N -2 0 320.345 1.685 20 0 DDADRL COc1ccc(C(=O)N=c2nc(C3(C)CC3)[n-]s2)c([O-])c1 ZINC000529704965 303146041 /nfs/dbraw/zinc/14/60/41/303146041.db2.gz ZDJDEBGQTPEGBR-UHFFFAOYSA-N -2 0 305.359 1.978 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])s1 ZINC000537639919 303377330 /nfs/dbraw/zinc/37/73/30/303377330.db2.gz RSOCNYLPJMTMSK-UHFFFAOYSA-N -2 0 301.349 1.289 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])ccc1F ZINC000540294069 303404858 /nfs/dbraw/zinc/40/48/58/303404858.db2.gz UOANPMIHTJWXDH-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL Cc1cc(NC(=O)c2cnc([O-])n(C)c2=O)cc(C(=O)[O-])c1C ZINC000362634258 307023186 /nfs/dbraw/zinc/02/31/86/307023186.db2.gz NLQJUPWNIHHJDD-UHFFFAOYSA-N -2 0 317.301 1.053 20 0 DDADRL Nc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1 ZINC000548524573 307774908 /nfs/dbraw/zinc/77/49/08/307774908.db2.gz MMAGTLGSUPBWKN-UHFFFAOYSA-N -2 0 308.315 1.473 20 0 DDADRL C[C@H]1CCC[C@@H](CNS(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000573321625 308237507 /nfs/dbraw/zinc/23/75/07/308237507.db2.gz SVKZAJOGJYZJQZ-DTWKUNHWSA-N -2 0 318.420 1.946 20 0 DDADRL O=C([O-])[C@@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)C1CC1 ZINC000663118294 484682106 /nfs/dbraw/zinc/68/21/06/484682106.db2.gz CJYFVHBFOQVZNG-FRRDWIJNSA-N -2 0 303.314 1.527 20 0 DDADRL CCC(CC)(C(=O)[O-])C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000663128417 484689945 /nfs/dbraw/zinc/68/99/45/484689945.db2.gz LBBFQQXGUYYOBS-UHFFFAOYSA-N -2 0 311.338 1.532 20 0 DDADRL CC(C)(C)c1nc(=NC(=O)NCCC(C)(C)C(=O)[O-])s[n-]1 ZINC000424376937 526855218 /nfs/dbraw/zinc/85/52/18/526855218.db2.gz CRZSAMFNMBENTR-UHFFFAOYSA-N -2 0 314.411 1.880 20 0 DDADRL CC(=O)c1ccc([O-])c([N-]S(=O)(=O)CCOCC2CC2)c1 ZINC000424060167 527322209 /nfs/dbraw/zinc/32/22/09/527322209.db2.gz GZMLULIPLXVUAY-UHFFFAOYSA-N -2 0 313.375 1.763 20 0 DDADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c1 ZINC000820066934 597385981 /nfs/dbraw/zinc/38/59/81/597385981.db2.gz URLZLQMGNWCXHQ-UHFFFAOYSA-N -2 0 323.374 1.892 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000828863069 601239771 /nfs/dbraw/zinc/23/97/71/601239771.db2.gz UUTYYIKCSFKRNL-ZJUUUORDSA-N -2 0 305.396 1.512 20 0 DDADRL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1 ZINC000738401501 599739298 /nfs/dbraw/zinc/73/92/98/599739298.db2.gz DXGPBQNQWYYLGQ-UHFFFAOYSA-N -2 0 313.310 1.216 20 0 DDADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)/C=C\c2ccccc2)n1 ZINC000739919734 599739369 /nfs/dbraw/zinc/73/93/69/599739369.db2.gz IVMPZOOQOUFUOA-CLFYSBASSA-N -2 0 307.331 1.380 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1C(=O)[O-] ZINC000738364640 600229353 /nfs/dbraw/zinc/22/93/53/600229353.db2.gz UCOZEBKNSPWHRB-UHFFFAOYSA-N -2 0 309.347 1.834 20 0 DDADRL Cc1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1F ZINC000738513232 600461646 /nfs/dbraw/zinc/46/16/46/600461646.db2.gz AGCOEDAFJLFHFM-UHFFFAOYSA-N -2 0 303.311 1.059 20 0 DDADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2cc(F)ccc2F)cn1 ZINC000038030459 600529137 /nfs/dbraw/zinc/52/91/37/600529137.db2.gz NKFVKIUSDIPAQD-UHFFFAOYSA-N -2 0 317.273 1.047 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)no1 ZINC000738462739 600672864 /nfs/dbraw/zinc/67/28/64/600672864.db2.gz VXUDVIQLTUNABO-UHFFFAOYSA-N -2 0 318.257 1.760 20 0 DDADRL Cc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1F ZINC000035651672 600672975 /nfs/dbraw/zinc/67/29/75/600672975.db2.gz XYROXSQCECAHOA-UHFFFAOYSA-N -2 0 313.310 1.216 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000829209167 601239869 /nfs/dbraw/zinc/23/98/69/601239869.db2.gz RMDPELOLQHXFRO-QJPTWQEYSA-N -2 0 319.423 1.760 20 0 DDADRL Cc1ccc(NS(=O)(=O)C[C@H](C)C(=O)[O-])c(C(=O)[O-])c1 ZINC000832951622 601241640 /nfs/dbraw/zinc/24/16/40/601241640.db2.gz KQGVSLJQDNGJEG-QMMMGPOBSA-N -2 0 301.320 1.156 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1C(=O)[O-] ZINC000833050631 601783874 /nfs/dbraw/zinc/78/38/74/601783874.db2.gz JUQCDPVTCGNOLP-UHFFFAOYSA-N -2 0 320.330 1.400 20 0 DDADRL COc1ccccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000832628590 601830317 /nfs/dbraw/zinc/83/03/17/601830317.db2.gz RCLGVHVNFGWITM-UHFFFAOYSA-N -2 0 314.344 1.651 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])cn1 ZINC000740289900 602245509 /nfs/dbraw/zinc/24/55/09/602245509.db2.gz LGVHLNYMUYDBMO-UHFFFAOYSA-N -2 0 322.346 1.261 20 0 DDADRL Cc1cc([N-]C(=O)c2nc(C3(NC(=O)[O-])CCC3)no2)no1 ZINC000740091534 602417954 /nfs/dbraw/zinc/41/79/54/602417954.db2.gz PYYLYSHURWDLBZ-UHFFFAOYSA-N -2 0 307.266 1.265 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000737798686 602728435 /nfs/dbraw/zinc/72/84/35/602728435.db2.gz JTYXLBVDHMDNQU-QWRGUYRKSA-N -2 0 320.411 1.259 20 0 DDADRL C[C@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CC[C@H]1NC(=O)[O-] ZINC000739191828 602788243 /nfs/dbraw/zinc/78/82/43/602788243.db2.gz QPBOBXAROOEYLX-DTWKUNHWSA-N -2 0 322.390 1.875 20 0 DDADRL C[C@H]1CN(C(=O)c2c([O-])cc(F)cc2F)CC[C@@H]1NC(=O)[O-] ZINC000739163939 602869441 /nfs/dbraw/zinc/86/94/41/602869441.db2.gz QZSOAGBEGQBHNR-XVKPBYJWSA-N -2 0 314.288 1.789 20 0 DDADRL O=C([O-])N1CCC(NC(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000738486961 603118185 /nfs/dbraw/zinc/11/81/85/603118185.db2.gz NHGALAGDQSWFOT-UHFFFAOYSA-N -2 0 321.358 1.989 20 0 DDADRL C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000739206059 603125715 /nfs/dbraw/zinc/12/57/15/603125715.db2.gz XOAVSRXYFRDGJP-IVZWLZJFSA-N -2 0 302.327 1.064 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000826571246 604188151 /nfs/dbraw/zinc/18/81/51/604188151.db2.gz DLNBPLRJHUVALW-ZDUSSCGKSA-N -2 0 320.411 1.259 20 0 DDADRL CCCS(=O)(=O)[N-]C(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000826944822 604417361 /nfs/dbraw/zinc/41/73/61/604417361.db2.gz JXGAXWWFWUINNX-GHMZBOCLSA-N -2 0 320.411 1.259 20 0 DDADRL CC(C)(CCC(=O)[O-])NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833456818 604880838 /nfs/dbraw/zinc/88/08/38/604880838.db2.gz BVFQFWSBUOSXEL-UHFFFAOYSA-N -2 0 321.376 1.368 20 0 DDADRL CS/C=C/C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000832747987 604938766 /nfs/dbraw/zinc/93/87/66/604938766.db2.gz VVEUJPFCEHKAJZ-VOTSOKGWSA-N -2 0 315.372 1.208 20 0 DDADRL O=C([O-])C1(CNC(=O)c2c([O-])cc(F)cc2F)CCOCC1 ZINC000833766287 605137364 /nfs/dbraw/zinc/13/73/64/605137364.db2.gz BXDWNJMGYYIMQP-UHFFFAOYSA-N -2 0 315.272 1.282 20 0 DDADRL Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])nc1 ZINC000316866741 605162729 /nfs/dbraw/zinc/16/27/29/605162729.db2.gz WAYYXVZWNNJFHX-UHFFFAOYSA-N -2 0 317.326 1.761 20 0 DDADRL CC(C)c1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)s1 ZINC000833512413 605183907 /nfs/dbraw/zinc/18/39/07/605183907.db2.gz VGNICVGYSXYGCP-UHFFFAOYSA-N -2 0 317.348 1.754 20 0 DDADRL CCCC1(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)CCC1 ZINC000826769494 605281104 /nfs/dbraw/zinc/28/11/04/605281104.db2.gz RPVVBRVWYLJYTP-JTQLQIEISA-N -2 0 318.395 1.155 20 0 DDADRL O=C([O-])NC1(C(=O)NCCc2cccc(C(=O)[O-])c2)CCCC1 ZINC000834151815 605308193 /nfs/dbraw/zinc/30/81/93/605308193.db2.gz QQNRNIDCMCQIAL-UHFFFAOYSA-N -2 0 320.345 1.624 20 0 DDADRL C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)c1c([O-])cc(F)cc1F ZINC000825831191 605360642 /nfs/dbraw/zinc/36/06/42/605360642.db2.gz KISVKMWCTKQQGO-IONNQARKSA-N -2 0 314.288 1.931 20 0 DDADRL O=C([O-])c1ccc(CCNC(=O)[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000834283414 606032528 /nfs/dbraw/zinc/03/25/28/606032528.db2.gz OKBODCRBLVTSOX-GFCCVEGCSA-N -2 0 306.318 1.043 20 0 DDADRL O=C([O-])c1ccc2c(c1)CCN2C(=O)C1CCN(C(=O)[O-])CC1 ZINC000834283264 606034742 /nfs/dbraw/zinc/03/47/42/606034742.db2.gz MAWOJYHYBQNQGA-UHFFFAOYSA-N -2 0 318.329 1.664 20 0 DDADRL O=C([O-])C[C@@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2)CCO1 ZINC000834061473 606061693 /nfs/dbraw/zinc/06/16/93/606061693.db2.gz VHQPBWGCYDCUGB-LLVKDONJSA-N -2 0 308.290 1.092 20 0 DDADRL O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2CSCN2C(=O)[O-])c1 ZINC000834283954 606067355 /nfs/dbraw/zinc/06/73/55/606067355.db2.gz ZSLHTGNGSSEWBH-VIFPVBQESA-N -2 0 314.294 1.515 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC000834166978 606068796 /nfs/dbraw/zinc/06/87/96/606068796.db2.gz ZAWABPVNDOVIFD-YGOYTEALSA-N -2 0 324.308 1.504 20 0 DDADRL Cn1nc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1C(=O)[O-] ZINC000776426396 698106033 /nfs/dbraw/zinc/10/60/33/698106033.db2.gz JDLANQIYPMGXAV-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL O=C([N-]N1CCCC1=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000790015528 699433905 /nfs/dbraw/zinc/43/39/05/699433905.db2.gz JVPWVWPCSDOSTI-UHFFFAOYSA-N -2 0 320.736 1.499 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000843295748 702855573 /nfs/dbraw/zinc/85/55/73/702855573.db2.gz MXLZQTIDXWINLW-GJMOJQLCSA-N -2 0 303.302 1.500 20 0 DDADRL O=C(CSCC(=O)[N-]OCC1CCC1)[N-]OCC1CCC1 ZINC000856347391 704523822 /nfs/dbraw/zinc/52/38/22/704523822.db2.gz PPSDFLHOHQQYMQ-UHFFFAOYSA-N -2 0 316.423 1.415 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)cc1C ZINC000863951712 706044817 /nfs/dbraw/zinc/04/48/17/706044817.db2.gz AMFMFBVIRDZGBO-LBPRGKRZSA-N -2 0 311.359 1.219 20 0 DDADRL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000863954281 706045585 /nfs/dbraw/zinc/04/55/85/706045585.db2.gz UVPIOGPNZIVAAG-UHFFFAOYSA-N -2 0 323.370 1.531 20 0 DDADRL CC[C@H]1CC[C@H](C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])CC1 ZINC000910185497 709802250 /nfs/dbraw/zinc/80/22/50/709802250.db2.gz WLLHTTZVNFHYQQ-ZDEQEGDKSA-N -2 0 311.378 1.979 20 0 DDADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)CCc1ccc(F)cc1 ZINC000905998760 712215862 /nfs/dbraw/zinc/21/58/62/712215862.db2.gz CIDAYEHXUPRASB-UHFFFAOYSA-N -2 0 311.281 1.008 20 0 DDADRL C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000907732121 712619824 /nfs/dbraw/zinc/61/98/24/712619824.db2.gz RJTIKXJTBWFFTP-QRNINRFLSA-N -2 0 309.362 1.445 20 0 DDADRL CCN(CCC(=O)[O-])C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000908861985 712872249 /nfs/dbraw/zinc/87/22/49/712872249.db2.gz SBZGGLDUYMARQE-UHFFFAOYSA-N -2 0 321.308 1.654 20 0 DDADRL O=C(Cc1ccc2[nH]cnc2c1)NCCCC[P@](=O)([O-])O ZINC001182844866 743727576 /nfs/dbraw/zinc/72/75/76/743727576.db2.gz GVMVLMQCRZEPRR-UHFFFAOYSA-N -2 0 311.278 1.180 20 0 DDADRL O=C(CCCCOc1ccccc1)NCCOP(=O)([O-])[O-] ZINC001184371343 744035756 /nfs/dbraw/zinc/03/57/56/744035756.db2.gz WWHVOYLOVRGFNW-UHFFFAOYSA-N -2 0 317.278 1.461 20 0 DDADRL Cc1ncnc(C)c1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189871315 745008475 /nfs/dbraw/zinc/00/84/75/745008475.db2.gz LYOBWJMOSVFMBR-UHFFFAOYSA-N -2 0 323.245 1.817 20 0 DDADRL CCOC(=O)NC(=S)Nc1nc(Br)ccc1O ZINC001195454133 746605747 /nfs/dbraw/zinc/60/57/47/746605747.db2.gz BMXMZHKHIIFEAX-UHFFFAOYSA-N -2 0 320.168 1.993 20 0 DDADRL Cc1ncc(S(=O)(=O)[N-]c2cc([O-])c(F)c(F)c2)n1C ZINC001198398876 747495219 /nfs/dbraw/zinc/49/52/19/747495219.db2.gz QXSCNVQKSUBZBW-UHFFFAOYSA-N -2 0 303.290 1.513 20 0 DDADRL COC(=O)/C=C/c1ccc(NCCOP(=O)([O-])[O-])cc1 ZINC001168594871 751258230 /nfs/dbraw/zinc/25/82/30/751258230.db2.gz COUXDSHWSLBRPQ-QPJJXVBHSA-N -2 0 301.235 1.394 20 0 DDADRL O=P([O-])([O-])OCCNc1cc2ccc(Cl)nc2cn1 ZINC001157792254 766662776 /nfs/dbraw/zinc/66/27/76/766662776.db2.gz ZIJVQJMRGLMXKR-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL O=P([O-])([O-])OCCNc1cc2nccc(Cl)c2cn1 ZINC001157788030 864140094 /nfs/dbraw/zinc/14/00/94/864140094.db2.gz WVUSNQHCCFYHHE-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL O=P([O-])([O-])OCCN[C@@H](F)Oc1ccc(Cl)nc1 ZINC001157791361 864143506 /nfs/dbraw/zinc/14/35/06/864143506.db2.gz MDGLGUGYKZIULG-MRVPVSSYSA-N -2 0 300.610 1.066 20 0 DDADRL CC(C)(C)c1cccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001225244891 881739538 /nfs/dbraw/zinc/73/95/38/881739538.db2.gz SPHMWVAHVBKWQE-DGCLKSJQSA-N -2 0 324.329 1.426 20 0 DDADRL Cc1ccccc1[C@H](C)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21 ZINC001226888802 882704788 /nfs/dbraw/zinc/70/47/88/882704788.db2.gz VGZVZMDGGBSOTD-QMMMGPOBSA-N -2 0 314.301 1.985 20 0 DDADRL O=P([O-])([O-])c1ccc(-c2ccc(N3CCOCC3)nc2)cc1 ZINC001240998204 891115617 /nfs/dbraw/zinc/11/56/17/891115617.db2.gz ZTDMMMOSVQSQBQ-UHFFFAOYSA-N -2 0 320.285 1.388 20 0 DDADRL COC(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1 ZINC001242159456 891354045 /nfs/dbraw/zinc/35/40/45/891354045.db2.gz KZYODLWZEWNRMA-UHFFFAOYSA-N -2 0 301.254 1.932 20 0 DDADRL NC(=O)c1ccnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1F ZINC001242160256 891354428 /nfs/dbraw/zinc/35/44/28/891354428.db2.gz INUQCQHMRVBXCQ-UHFFFAOYSA-N -2 0 304.233 1.383 20 0 DDADRL CCOC(=O)c1cncnc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242159257 891354672 /nfs/dbraw/zinc/35/46/72/891354672.db2.gz FXXGUDCTJYBFQX-UHFFFAOYSA-N -2 0 316.269 1.717 20 0 DDADRL CC(C)n1nccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1=O ZINC001242163982 891358172 /nfs/dbraw/zinc/35/81/72/891358172.db2.gz VSRGGEDDFPVAPQ-UHFFFAOYSA-N -2 0 302.286 1.888 20 0 DDADRL CN(C)c1cccnc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184703 899078385 /nfs/dbraw/zinc/07/83/85/899078385.db2.gz XYITZUKYZUCFPY-UHFFFAOYSA-N -2 0 321.358 1.647 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccnn2CC2CC2)cc1 ZINC001260221710 899095435 /nfs/dbraw/zinc/09/54/35/899095435.db2.gz PFUJMDOUXXSKOP-UHFFFAOYSA-N -2 0 321.358 1.792 20 0 DDADRL COC(=O)c1ccc(=N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)[n-]n1 ZINC000593329634 355855353 /nfs/dbraw/zinc/85/53/53/355855353.db2.gz ZNANCMDNAVNIMM-YPMHNXCESA-N -2 0 313.313 1.410 20 0 DDADRL O=C([O-])[C@H]1C=C[C@@H]([N-]S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000092181983 193171160 /nfs/dbraw/zinc/17/11/60/193171160.db2.gz LINBNEGENOJMON-POYBYMJQSA-N -2 0 321.276 1.412 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000350742702 284252848 /nfs/dbraw/zinc/25/28/48/284252848.db2.gz YSMHKNYDGKYZKX-VIFPVBQESA-N -2 0 323.374 1.782 20 0 DDADRL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000070156534 406809171 /nfs/dbraw/zinc/80/91/71/406809171.db2.gz ZBIIOEZHJFUKAR-UHFFFAOYSA-N -2 0 315.376 1.597 20 0 DDADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cncc(F)c2)c(O)c1 ZINC000044260735 407020940 /nfs/dbraw/zinc/02/09/40/407020940.db2.gz IKDRPDBWTBKXKI-UHFFFAOYSA-N -2 0 312.278 1.425 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cn1C ZINC000050253083 407129556 /nfs/dbraw/zinc/12/95/56/407129556.db2.gz XQUCZNZWOJWLHM-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL C[C@H](CCNS(=O)(=O)c1ccc(F)c(F)c1)CC(=O)[O-] ZINC000274953764 408573631 /nfs/dbraw/zinc/57/36/31/408573631.db2.gz GTOSFYJVDOBARD-MRVPVSSYSA-N -2 0 307.318 1.744 20 0 DDADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1 ZINC000349110297 409701556 /nfs/dbraw/zinc/70/15/56/409701556.db2.gz SIFNLXREXDPTRE-UHFFFAOYSA-N -2 0 311.319 1.064 20 0 DDADRL CC(C)(C(=O)[O-])C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000647756549 423033319 /nfs/dbraw/zinc/03/33/19/423033319.db2.gz RYRQHGMFOJNJCN-NEPJUHHUSA-N -2 0 305.330 1.424 20 0 DDADRL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000375604996 418660778 /nfs/dbraw/zinc/66/07/78/418660778.db2.gz BLYZRANCYMXYSC-UHFFFAOYSA-N -2 0 320.334 1.010 20 0 DDADRL CCC(=O)c1ccc([O-])c(NC(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000436643511 420348006 /nfs/dbraw/zinc/34/80/06/420348006.db2.gz FMJDBVUQBPKXHW-UHFFFAOYSA-N -2 0 317.301 1.037 20 0 DDADRL C[C@H]([C@H]([N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-])C1CC1 ZINC000548992434 421489609 /nfs/dbraw/zinc/48/96/09/421489609.db2.gz OZNPVARPPNXOCS-CPCISQLKSA-N -2 0 319.329 1.742 20 0 DDADRL CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O)C1CC1 ZINC000581548468 421998870 /nfs/dbraw/zinc/99/88/70/421998870.db2.gz IZSMQHRKWOCRAX-LBPRGKRZSA-N -2 0 315.347 1.257 20 0 DDADRL CC(C)C[C@H](CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C(=O)[O-] ZINC000646163032 423374184 /nfs/dbraw/zinc/37/41/84/423374184.db2.gz PEFKBDFEOIBVEB-LLVKDONJSA-N -2 0 314.382 1.630 20 0 DDADRL O=C([O-])COc1ccc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000659761543 424230676 /nfs/dbraw/zinc/23/06/76/424230676.db2.gz AUPDBEZLUOZAPQ-LLVKDONJSA-N -2 0 321.329 1.477 20 0 DDADRL C[C@@H](CNC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)C(=O)[O-] ZINC000655880383 424690070 /nfs/dbraw/zinc/69/00/70/424690070.db2.gz WQUQBYKRWACUJT-AAEUAGOBSA-N -2 0 322.361 1.482 20 0 DDADRL C[C@H](C(=O)[O-])N(C(=O)c1nn(-c2ccccc2)cc1[O-])C1CC1 ZINC000263545867 298204896 /nfs/dbraw/zinc/20/48/96/298204896.db2.gz GWVLCMJNAQFVJX-SNVBAGLBSA-N -2 0 315.329 1.656 20 0 DDADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000357117890 298968108 /nfs/dbraw/zinc/96/81/08/298968108.db2.gz DVUOFFCMSRPJDS-UHFFFAOYSA-N -2 0 310.331 1.719 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c(F)c1 ZINC000537639652 303377452 /nfs/dbraw/zinc/37/74/52/303377452.db2.gz BWYWLVOQFVJLAV-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL Cc1cc(CS(=O)(=O)[N-]c2cc(F)ccc2C(=O)[O-])on1 ZINC000548198696 303576944 /nfs/dbraw/zinc/57/69/44/303576944.db2.gz WQUQNDWHWPOJFZ-UHFFFAOYSA-N -2 0 314.294 1.762 20 0 DDADRL CO[C@H](CS(=O)(=O)[N-]c1cc(C(C)=O)ccc1[O-])C1CC1 ZINC000564729882 308004265 /nfs/dbraw/zinc/00/42/65/308004265.db2.gz VIVWEZQDHSGNIB-CQSZACIVSA-N -2 0 313.375 1.762 20 0 DDADRL COCc1n[n-]c(=NC[C@@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000577496255 308392638 /nfs/dbraw/zinc/39/26/38/308392638.db2.gz HQQMXXHVMIBRKY-LLVKDONJSA-N -2 0 307.375 1.462 20 0 DDADRL CC[C@@](C)(NS(=O)(=O)c1cccc(OC)c1F)C(=O)[O-] ZINC000656179288 483998340 /nfs/dbraw/zinc/99/83/40/483998340.db2.gz BZJUBWWMHJMEGM-GFCCVEGCSA-N -2 0 305.327 1.366 20 0 DDADRL CCn1nccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000436993997 484134405 /nfs/dbraw/zinc/13/44/05/484134405.db2.gz JUEIXDVRGSPGHU-UHFFFAOYSA-N -2 0 311.319 1.108 20 0 DDADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cnoc2)c1 ZINC000677123727 486397024 /nfs/dbraw/zinc/39/70/24/486397024.db2.gz FWJBOTHLSQEZQK-UHFFFAOYSA-N -2 0 300.267 1.621 20 0 DDADRL CCC(CC)(CNC(=O)NC[C@H](CC(C)C)C(=O)[O-])C(=O)[O-] ZINC000424421889 528677030 /nfs/dbraw/zinc/67/70/30/528677030.db2.gz DXOMFHQMROMMRR-NSHDSACASA-N -2 0 316.398 1.924 20 0 DDADRL Cc1cccnc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000035296006 600243707 /nfs/dbraw/zinc/24/37/07/600243707.db2.gz WOOWZCBOGBBOFA-UHFFFAOYSA-N -2 0 306.343 1.818 20 0 DDADRL C[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736626152 600462132 /nfs/dbraw/zinc/46/21/32/600462132.db2.gz KOYNSJLLJMXXEM-LLVKDONJSA-N -2 0 313.375 1.176 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)CCSCC(=O)[O-] ZINC000736965760 600520362 /nfs/dbraw/zinc/52/03/62/600520362.db2.gz UFERGDKEEMHYMQ-SECBINFHSA-N -2 0 311.425 1.077 20 0 DDADRL COCCN(CCC(=O)[O-])C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000737797363 600670338 /nfs/dbraw/zinc/67/03/38/600670338.db2.gz ITAQUZQRQYEIJU-UHFFFAOYSA-N -2 0 324.358 1.680 20 0 DDADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccccn1 ZINC000831945037 601200633 /nfs/dbraw/zinc/20/06/33/601200633.db2.gz DLGOCDBPCORSKQ-UHFFFAOYSA-N -2 0 314.344 1.651 20 0 DDADRL CCc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)s1 ZINC000232264070 601501941 /nfs/dbraw/zinc/50/19/41/601501941.db2.gz FBVLTYKNXKIAHZ-UHFFFAOYSA-N -2 0 319.389 1.661 20 0 DDADRL CC1CC(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000828156553 601546326 /nfs/dbraw/zinc/54/63/26/601546326.db2.gz NLTLKDBTDDXVPI-UHFFFAOYSA-N -2 0 303.361 1.297 20 0 DDADRL O=C([O-])[C@]1(F)CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000833357474 601713002 /nfs/dbraw/zinc/71/30/02/601713002.db2.gz XYAZDNQBZFGSHZ-ZDUSSCGKSA-N -2 0 310.306 1.755 20 0 DDADRL C[C@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)C[C@H]1C(=O)[O-] ZINC000828403312 601760693 /nfs/dbraw/zinc/76/06/93/601760693.db2.gz TZDQFKWBZHRRJA-IONNQARKSA-N -2 0 306.343 1.909 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])nc1Cl ZINC000758170106 601861239 /nfs/dbraw/zinc/86/12/39/601861239.db2.gz NXTWIGJZOBSGBF-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CC23CCC3)c1 ZINC000833332690 601976827 /nfs/dbraw/zinc/97/68/27/601976827.db2.gz AHGPLIXYHNUAIX-LLVKDONJSA-N -2 0 309.343 1.380 20 0 DDADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@H](C)C(=O)[O-])n2)c1 ZINC000737689247 602272878 /nfs/dbraw/zinc/27/28/78/602272878.db2.gz GUSLLHMBTVNJFD-SNVBAGLBSA-N -2 0 317.345 1.904 20 0 DDADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)c1 ZINC000833344167 602307263 /nfs/dbraw/zinc/30/72/63/602307263.db2.gz DIIIBLGBIJNNIN-UHFFFAOYSA-N -2 0 313.360 1.848 20 0 DDADRL C[C@H](CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)NC(=O)[O-] ZINC000824696584 602823291 /nfs/dbraw/zinc/82/32/91/602823291.db2.gz TZHCBHQWILDANK-SSDOTTSWSA-N -2 0 306.278 1.015 20 0 DDADRL CC(C)(CCC(=O)[N-]S(=O)(=O)C1CCCCC1)NC(=O)[O-] ZINC000738741980 602927437 /nfs/dbraw/zinc/92/74/37/602927437.db2.gz VRCKLTVRXHPTBZ-UHFFFAOYSA-N -2 0 320.411 1.592 20 0 DDADRL O=C([O-])NC1CCC(NC(=O)c2c([O-])cc(F)cc2F)CC1 ZINC000740555468 603110974 /nfs/dbraw/zinc/11/09/74/603110974.db2.gz LJGBFMKBEUHYME-UHFFFAOYSA-N -2 0 314.288 1.979 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000736964496 604376059 /nfs/dbraw/zinc/37/60/59/604376059.db2.gz GOYLHZJYBGKSPB-ZJUUUORDSA-N -2 0 308.400 1.161 20 0 DDADRL O=C([O-])c1cc(NC(=O)C(=O)[N-]OCC(F)(F)F)ccc1F ZINC000833148873 604424897 /nfs/dbraw/zinc/42/48/97/604424897.db2.gz SPGREUWKDRVLIX-UHFFFAOYSA-N -2 0 324.186 1.073 20 0 DDADRL CC(C)(CCC(=O)[O-])NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000833456811 604880614 /nfs/dbraw/zinc/88/06/14/604880614.db2.gz BOYJSOIXLQLHJM-UHFFFAOYSA-N -2 0 321.376 1.368 20 0 DDADRL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000833602440 605188264 /nfs/dbraw/zinc/18/82/64/605188264.db2.gz PWUBLROLOBCEPC-YUMQZZPRSA-N -2 0 317.388 1.687 20 0 DDADRL O=C([O-])N1CC[C@H](C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000834078989 605423970 /nfs/dbraw/zinc/42/39/70/605423970.db2.gz YZUPOPSOSRNCFV-MRVPVSSYSA-N -2 0 320.317 1.243 20 0 DDADRL O=C([O-])CCCNC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000834060502 606032903 /nfs/dbraw/zinc/03/29/03/606032903.db2.gz PYYSFYINRARRGG-MNOVXSKESA-N -2 0 300.355 1.574 20 0 DDADRL O=C([O-])[C@H]1CC12CCN(C(=O)[C@@H]1CCCCN1C(=O)[O-])CC2 ZINC000834057855 606033855 /nfs/dbraw/zinc/03/38/55/606033855.db2.gz IEMPEGJBNFULRS-MNOVXSKESA-N -2 0 310.350 1.232 20 0 DDADRL C[C@H](C(=O)[O-])[C@@H](NC(=O)CCCNC(=O)[O-])c1ccccc1 ZINC000833790157 606054129 /nfs/dbraw/zinc/05/41/29/606054129.db2.gz NJTABQIVUIGXLJ-GXFFZTMASA-N -2 0 308.334 1.612 20 0 DDADRL O=C([O-])/C=C\c1ccc(NC(=O)CC2CN(C(=O)[O-])C2)cc1 ZINC000834060633 606055760 /nfs/dbraw/zinc/05/57/60/606055760.db2.gz HWKPMKXHCSIUJG-UTCJRWHESA-N -2 0 304.302 1.723 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000834167108 606057225 /nfs/dbraw/zinc/05/72/25/606057225.db2.gz ADBFUERCVFQZEG-CMPLNLGQSA-N -2 0 306.318 1.437 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000834169855 606066652 /nfs/dbraw/zinc/06/66/52/606066652.db2.gz MAVPEXKMGLSZMP-IONNQARKSA-N -2 0 310.281 1.899 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)N[C@H](C(=O)[O-])c2ccccc2F)C1 ZINC000834166975 606068485 /nfs/dbraw/zinc/06/84/85/606068485.db2.gz ZAWABPVNDOVIFD-SBMIAAHKSA-N -2 0 324.308 1.504 20 0 DDADRL COCC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000132046760 696810313 /nfs/dbraw/zinc/81/03/13/696810313.db2.gz REZADZBABBFRKV-ZETCQYMHSA-N -2 0 323.317 1.366 20 0 DDADRL O=C([O-])CCN(C1CC1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000849157370 703622438 /nfs/dbraw/zinc/62/24/38/703622438.db2.gz PHZCQEUBPMACRC-UHFFFAOYSA-N -2 0 319.360 1.074 20 0 DDADRL Cc1nc(C2CCCCC2)sc1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854611946 704425888 /nfs/dbraw/zinc/42/58/88/704425888.db2.gz CVUFRQJNDBKXRW-UHFFFAOYSA-N -2 0 323.378 1.886 20 0 DDADRL Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000863952121 706044620 /nfs/dbraw/zinc/04/46/20/706044620.db2.gz KOJZISDOGPHAKT-LLVKDONJSA-N -2 0 313.375 1.547 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)c(C)c1 ZINC000863952512 706044957 /nfs/dbraw/zinc/04/49/57/706044957.db2.gz ZGWPMADJTSGHRO-UHFFFAOYSA-N -2 0 323.370 1.529 20 0 DDADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)CC1CCCCC1)C1CC1 ZINC000863954337 706045328 /nfs/dbraw/zinc/04/53/28/706045328.db2.gz WDHBQELWGSGCJD-NSHDSACASA-N -2 0 303.380 1.124 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000863955491 706046350 /nfs/dbraw/zinc/04/63/50/706046350.db2.gz NEUCHLZBUSNIDZ-NSHDSACASA-N -2 0 305.396 1.512 20 0 DDADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)CCC1CCCC1 ZINC000863963168 706047453 /nfs/dbraw/zinc/04/74/53/706047453.db2.gz MWCPQYUAAHPGOE-LLVKDONJSA-N -2 0 319.423 1.760 20 0 DDADRL O=C([O-])CCC(=O)[N-]S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000863966376 706047671 /nfs/dbraw/zinc/04/76/71/706047671.db2.gz YPUKZDFNNAJZLN-UHFFFAOYSA-N -2 0 323.729 1.290 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cccc(C3CC3)c2)C1 ZINC000910181973 709800367 /nfs/dbraw/zinc/80/03/67/709800367.db2.gz GAGQYAKAPUMMOT-ZIAGYGMSSA-N -2 0 317.341 1.954 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)/C=C/c2ccccc2)C1 ZINC000910183363 709800907 /nfs/dbraw/zinc/80/09/07/709800907.db2.gz BBPVUTCGESYPNU-BHAGLWOSSA-N -2 0 303.314 1.476 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(Cl)s2)C1 ZINC000910184970 709801465 /nfs/dbraw/zinc/80/14/65/709801465.db2.gz HIOYBTAULCFBDQ-RQJHMYQMSA-N -2 0 317.750 1.792 20 0 DDADRL C[C@H]1CCN(C(=O)Cc2ccccc2C(=O)[O-])C[C@@H]1C(=O)[O-] ZINC000901696033 710121807 /nfs/dbraw/zinc/12/18/07/710121807.db2.gz MHWAZUKRLMRRPD-GWCFXTLKSA-N -2 0 305.330 1.497 20 0 DDADRL CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C)C(=O)[O-] ZINC000917719988 713511443 /nfs/dbraw/zinc/51/14/43/713511443.db2.gz LXVJYXSDGFYZOA-JTQLQIEISA-N -2 0 315.347 1.143 20 0 DDADRL COC(=O)[C@@H]1C[C@H](Nc2ccc(P(=O)([O-])[O-])cc2)C1(C)C ZINC001168341647 742203635 /nfs/dbraw/zinc/20/36/35/742203635.db2.gz YQDZTOFEAXTNPC-RYUDHWBXSA-N -2 0 313.290 1.489 20 0 DDADRL C[C@@H](C(=O)NCCCC[P@@](=O)([O-])O)c1ccc(O)cc1 ZINC001184283134 744015796 /nfs/dbraw/zinc/01/57/96/744015796.db2.gz BZSSCZWGKYMITD-SNVBAGLBSA-N -2 0 301.279 1.570 20 0 DDADRL COc1ccnc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC001184660038 744078965 /nfs/dbraw/zinc/07/89/65/744078965.db2.gz SUHAMPQOHCIDLF-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1CO ZINC001185878157 744307210 /nfs/dbraw/zinc/30/72/10/744307210.db2.gz ZINADAMCKLECSF-UHFFFAOYSA-N -2 0 322.342 1.381 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1ccccc1-c1cccnc1 ZINC001188041735 744648443 /nfs/dbraw/zinc/64/84/43/744648443.db2.gz HACYPXZSUBSTMJ-UHFFFAOYSA-N -2 0 322.257 1.588 20 0 DDADRL O=C(N[C@H]1SC(=O)[N-]C1=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188589001 744732864 /nfs/dbraw/zinc/73/28/64/744732864.db2.gz KNWVPHAOEYDBSU-VIFPVBQESA-N -2 0 320.248 1.450 20 0 DDADRL CCOc1ccc(S(=O)(=O)N[C@@H]2[CH]CC=C2)cc1C(=O)[O-] ZINC001192674458 745857308 /nfs/dbraw/zinc/85/73/08/745857308.db2.gz FMHGTIMLSJNUDE-JTQLQIEISA-N -2 0 310.351 1.595 20 0 DDADRL COc1ncccc1S(=O)(=O)Nc1cc(O)c(F)cc1F ZINC001194711475 746446847 /nfs/dbraw/zinc/44/68/47/746446847.db2.gz KFAUYODZCJWESD-UHFFFAOYSA-N -2 0 316.285 1.875 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1nccc(Cl)c1Cl ZINC001195462638 746608746 /nfs/dbraw/zinc/60/87/46/746608746.db2.gz UDLOYXJXODHPGG-UHFFFAOYSA-N -2 0 315.049 1.228 20 0 DDADRL Cc1ccc(C(=O)NCCOP(=O)([O-])[O-])c(C)c1Cl ZINC001198236912 747423988 /nfs/dbraw/zinc/42/39/88/747423988.db2.gz DJNRCCOGLCGJQK-UHFFFAOYSA-N -2 0 307.670 1.796 20 0 DDADRL CC(C)n1ccc(C(=O)NCCCC[P@@](=O)([O-])O)cc1=O ZINC001199494832 747862849 /nfs/dbraw/zinc/86/28/49/747862849.db2.gz DXBQUJOXNFPWGE-UHFFFAOYSA-N -2 0 316.294 1.117 20 0 DDADRL CC1CCN(c2cncc(NCCOP(=O)([O-])[O-])n2)CC1 ZINC001168589365 751200707 /nfs/dbraw/zinc/20/07/07/751200707.db2.gz IJWGSXUVGZVKRE-UHFFFAOYSA-N -2 0 316.298 1.234 20 0 DDADRL COC(=O)c1cc2cc(NCCOP(=O)([O-])[O-])ncc2o1 ZINC001168589661 751203200 /nfs/dbraw/zinc/20/32/00/751203200.db2.gz LQQATUQGUVPAJS-UHFFFAOYSA-N -2 0 316.206 1.136 20 0 DDADRL O=C(NCCCC[P@@](=O)([O-])O)c1cc2cc(O)ccc2o1 ZINC001155674655 862366246 /nfs/dbraw/zinc/36/62/46/862366246.db2.gz RCKPTRDTWKJMAC-UHFFFAOYSA-N -2 0 313.246 1.826 20 0 DDADRL CCCC[C@H](CC)COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001224708289 881505783 /nfs/dbraw/zinc/50/57/83/881505783.db2.gz ZPBVIKFGYXUHDW-NHCYSSNCSA-N -2 0 304.339 1.282 20 0 DDADRL O=P([O-])([O-])OCCNc1ncnc2[nH]c3ccccc3c21 ZINC001157792199 864145272 /nfs/dbraw/zinc/14/52/72/864145272.db2.gz WPSGELLAFDHNON-UHFFFAOYSA-N -2 0 308.234 1.632 20 0 DDADRL CC(C)c1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001225239960 881736901 /nfs/dbraw/zinc/73/69/01/881736901.db2.gz MQVCHKFLFRULKK-AAEUAGOBSA-N -2 0 310.302 1.252 20 0 DDADRL Cc1ccc(C)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1C ZINC001225804026 882040947 /nfs/dbraw/zinc/04/09/47/882040947.db2.gz MIVVNMVBJANBOR-JQWIXIFHSA-N -2 0 310.302 1.054 20 0 DDADRL Cc1ccc(Cl)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225875343 882081933 /nfs/dbraw/zinc/08/19/33/882081933.db2.gz FNTZZNBGWITXOW-LDYMZIIASA-N -2 0 316.693 1.090 20 0 DDADRL Cc1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccc1Cl ZINC001228073057 883320234 /nfs/dbraw/zinc/32/02/34/883320234.db2.gz XYJQLEHWYGKINV-LDYMZIIASA-N -2 0 316.693 1.090 20 0 DDADRL CCCc1cccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001228448439 883504220 /nfs/dbraw/zinc/50/42/20/883504220.db2.gz IQLZWXOHOBMACZ-YPMHNXCESA-N -2 0 310.302 1.081 20 0 DDADRL CC1(C)OC[C@H](COc2ccc(OP(=O)([O-])[O-])cc2)O1 ZINC001234333802 887877586 /nfs/dbraw/zinc/87/75/86/887877586.db2.gz BKCRYKLPTMTUPA-NSHDSACASA-N -2 0 304.235 1.688 20 0 DDADRL CC(=O)NCc1cccc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001240353609 890911621 /nfs/dbraw/zinc/91/16/21/890911621.db2.gz NAEBRCZNJFZENN-UHFFFAOYSA-N -2 0 305.270 1.793 20 0 DDADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc(-c2nn[nH]n2)cc1 ZINC001241442649 891172937 /nfs/dbraw/zinc/17/29/37/891172937.db2.gz AKVOUQOVMYIMEW-UHFFFAOYSA-N -2 0 310.269 1.930 20 0 DDADRL O=C([O-])Cc1nccnc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242160358 891357145 /nfs/dbraw/zinc/35/71/45/891357145.db2.gz IWDVIJJHBGQYTE-UHFFFAOYSA-N -3 0 302.242 1.167 20 0 DDADRL CC(=O)[N-]S(=O)(=O)c1ccc(-c2cccc(F)c2[O-])nc1 ZINC001242350004 891399677 /nfs/dbraw/zinc/39/96/77/891399677.db2.gz CDKFKMCEYGQYNZ-UHFFFAOYSA-N -2 0 310.306 1.418 20 0 DDADRL Cc1cc(C(=O)[O-])cc(-c2ccc3c(c2)S(=O)(=O)[N-]C3=O)c1 ZINC001243177941 891618730 /nfs/dbraw/zinc/61/87/30/891618730.db2.gz LIFHATCMNZRTLG-UHFFFAOYSA-N -2 0 317.322 1.792 20 0 DDADRL COc1cc(C(=O)[O-])cc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001244174691 891811755 /nfs/dbraw/zinc/81/17/55/891811755.db2.gz FBWQOFVUGRCEDQ-UHFFFAOYSA-N -3 0 308.226 1.863 20 0 DDADRL COC(=O)CS(=O)(=O)[N-]c1cccc(C(F)(F)F)c1[O-] ZINC001259027481 898426960 /nfs/dbraw/zinc/42/69/60/898426960.db2.gz ZNMAUKKZIKLBPP-UHFFFAOYSA-N -2 0 313.253 1.326 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnc(F)c(F)c2)c1 ZINC001260185212 899077941 /nfs/dbraw/zinc/07/79/41/899077941.db2.gz WYGSNXCYSZFVSH-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc3ccccn23)cc1 ZINC001260221682 899095581 /nfs/dbraw/zinc/09/55/81/899095581.db2.gz NZSDRPQDCWQTPG-UHFFFAOYSA-N -2 0 317.326 1.833 20 0 DDADRL CC(C)[C@H](CNC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)C(=O)[O-] ZINC000626774630 367740251 /nfs/dbraw/zinc/74/02/51/367740251.db2.gz KKLIGTKMMXRSEM-DCAQKATOSA-N -2 0 300.355 1.095 20 0 DDADRL O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000334024790 249183129 /nfs/dbraw/zinc/18/31/29/249183129.db2.gz GJWGCKBFFBYBQY-SECBINFHSA-N -2 0 322.752 1.889 20 0 DDADRL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000285175222 218320129 /nfs/dbraw/zinc/32/01/29/218320129.db2.gz PYZCNYJUUXQZQY-JTQLQIEISA-N -2 0 305.302 1.496 20 0 DDADRL Cc1[n-]n(-c2cccc(-c3cnn(C)c3)c2)c(=O)c1CC(=O)[O-] ZINC000568266418 304282153 /nfs/dbraw/zinc/28/21/53/304282153.db2.gz UPYBHRMPGBJVNY-CQSZACIVSA-N -2 0 312.329 1.901 20 0 DDADRL O=C([O-])C1([N-]S(=O)(=O)c2c(F)cccc2F)CCCC1 ZINC000037463588 406989904 /nfs/dbraw/zinc/98/99/04/406989904.db2.gz GOUPNGBLGXSGNQ-UHFFFAOYSA-N -2 0 305.302 1.641 20 0 DDADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1Cl ZINC000048807549 407107972 /nfs/dbraw/zinc/10/79/72/407107972.db2.gz YFRJFPCEMVNTDO-UHFFFAOYSA-N -2 0 301.711 1.562 20 0 DDADRL Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccccc1O ZINC000104138097 407348012 /nfs/dbraw/zinc/34/80/12/407348012.db2.gz HXJVZSDWKFAQOU-UHFFFAOYSA-N -2 0 312.329 1.526 20 0 DDADRL CC(C)(CCC(=O)[O-])NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000236585038 407729326 /nfs/dbraw/zinc/72/93/26/407729326.db2.gz IRNUAWLXFLCDLQ-UHFFFAOYSA-N -2 0 317.345 1.951 20 0 DDADRL CC(C)O[N-]C(=O)CN(CC(=O)[N-]OC(C)C)c1ccccc1 ZINC000295553922 409343691 /nfs/dbraw/zinc/34/36/91/409343691.db2.gz MDWVHSZKMBTFRO-UHFFFAOYSA-N -2 0 323.393 1.405 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2scnc2C2CC2)c[nH]1 ZINC000342794667 409909350 /nfs/dbraw/zinc/90/93/50/409909350.db2.gz VDKFLGAUNSGYOX-UHFFFAOYSA-N -2 0 313.360 1.848 20 0 DDADRL O=C([O-])Cc1cccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000360231897 411106677 /nfs/dbraw/zinc/10/66/77/411106677.db2.gz VWKXECGOAKGEGO-UHFFFAOYSA-N -2 0 324.314 1.141 20 0 DDADRL C[C@@H]1CCN(C(=O)NCCCCCC(=O)[O-])C[C@H]1C(=O)[O-] ZINC000572032599 304502864 /nfs/dbraw/zinc/50/28/64/304502864.db2.gz SNFDNWCQQVUUEG-GHMZBOCLSA-N -2 0 300.355 1.384 20 0 DDADRL CC(C)(C)OC(=O)NCC1(CC(=O)N=c2ccc(O)n[n-]2)CC1 ZINC000495886848 421083967 /nfs/dbraw/zinc/08/39/67/421083967.db2.gz QTQAUBMUYQUMBS-UHFFFAOYSA-N -2 0 322.365 1.238 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-] ZINC000547569894 421344527 /nfs/dbraw/zinc/34/45/27/421344527.db2.gz VMDINNKMGSRVII-ZETCQYMHSA-N -2 0 305.318 1.748 20 0 DDADRL O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000547262308 421319427 /nfs/dbraw/zinc/31/94/27/421319427.db2.gz WKDWASVQWMPCAC-SSDOTTSWSA-N -2 0 309.276 1.203 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000548539694 421447677 /nfs/dbraw/zinc/44/76/77/421447677.db2.gz IYRPVEMMDNRJPW-UHFFFAOYSA-N -2 0 321.358 1.637 20 0 DDADRL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cn(C)cn2)cc1F ZINC000548595157 421451608 /nfs/dbraw/zinc/45/16/08/421451608.db2.gz WDLOGFNLDXECSR-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL Cc1cc(=O)[nH]c([C@@H](C)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)n1 ZINC000521257436 421779714 /nfs/dbraw/zinc/77/97/14/421779714.db2.gz JWITYSYGNSFTSO-PELKAZGASA-N -2 0 319.283 1.891 20 0 DDADRL O=C([O-])[C@@H]1CN(C(=O)C2(C(=O)[O-])CC2)C[C@H]1c1ccccc1 ZINC000572409897 421786001 /nfs/dbraw/zinc/78/60/01/421786001.db2.gz GDYZLVSTKWEGAV-NWDGAFQWSA-N -2 0 303.314 1.178 20 0 DDADRL O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1cc([O-])cc(F)c1 ZINC000630443048 422106541 /nfs/dbraw/zinc/10/65/41/422106541.db2.gz NYETVUIPUXTJJG-LLVKDONJSA-N -2 0 303.311 1.159 20 0 DDADRL O=C([O-])COc1cccc(C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000656857980 423809511 /nfs/dbraw/zinc/80/95/11/423809511.db2.gz UIJJESCGNMCECL-UHFFFAOYSA-N -2 0 307.302 1.087 20 0 DDADRL C[C@H](NC(=O)NCCCC(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655879506 424689762 /nfs/dbraw/zinc/68/97/62/424689762.db2.gz NXCFDWRLUCGVRA-LPEHRKFASA-N -2 0 300.355 1.286 20 0 DDADRL CC(C)C[C@H](CNC(=O)NC[C@H](CC(C)C)C(=O)[O-])C(=O)[O-] ZINC000424434596 279154406 /nfs/dbraw/zinc/15/44/06/279154406.db2.gz UHIFEYBAKWCCQA-TXEJJXNPSA-N -2 0 316.398 1.779 20 0 DDADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H](C)CC(=O)[O-])n1 ZINC000427685207 301309117 /nfs/dbraw/zinc/30/91/17/301309117.db2.gz LJRCHZWFHVVGHB-SECBINFHSA-N -2 0 321.308 1.618 20 0 DDADRL CCc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1 ZINC000537639578 303377357 /nfs/dbraw/zinc/37/73/57/303377357.db2.gz YYNSCFGVDLRTQI-UHFFFAOYSA-N -2 0 309.347 1.482 20 0 DDADRL Cc1n[n-]c(=NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)s1 ZINC000582353534 326016656 /nfs/dbraw/zinc/01/66/56/326016656.db2.gz DTRFGYFDIJOZDX-SNVBAGLBSA-N -2 0 324.337 1.663 20 0 DDADRL O=C([O-])[C@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)C1CC1 ZINC000663118293 484681868 /nfs/dbraw/zinc/68/18/68/484681868.db2.gz CJYFVHBFOQVZNG-AGIUHOORSA-N -2 0 303.314 1.527 20 0 DDADRL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1F)C1CCC1 ZINC000663256577 484769882 /nfs/dbraw/zinc/76/98/82/484769882.db2.gz WQHMJNGTUKZCSE-VIFPVBQESA-N -2 0 319.329 1.744 20 0 DDADRL CCC(C)(C)N(C)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000684895612 486454282 /nfs/dbraw/zinc/45/42/82/486454282.db2.gz FLSZSDOYOURHIQ-NXEZZACHSA-N -2 0 300.355 1.334 20 0 DDADRL O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000119511772 490605119 /nfs/dbraw/zinc/60/51/19/490605119.db2.gz BOBKOFTXMAXWNF-VIFPVBQESA-N -2 0 307.741 1.579 20 0 DDADRL CC(C)(C)/C=C/C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736251027 600272745 /nfs/dbraw/zinc/27/27/45/600272745.db2.gz MAKPVVJXAVUEMD-BQYQJAHWSA-N -2 0 311.359 1.792 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])s1 ZINC000736893956 600549746 /nfs/dbraw/zinc/54/97/46/600549746.db2.gz BPKINWILHXXFEB-UHFFFAOYSA-N -2 0 319.404 1.942 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1 ZINC000166561756 600636653 /nfs/dbraw/zinc/63/66/53/600636653.db2.gz SKZJMEGJZJWRLM-UHFFFAOYSA-N -2 0 315.738 1.871 20 0 DDADRL CCC[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1nnn[n-]1 ZINC000829222794 601304116 /nfs/dbraw/zinc/30/41/16/601304116.db2.gz FTVSPVLOMOSSEO-LBPRGKRZSA-N -2 0 317.349 1.488 20 0 DDADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ncc(C)o1 ZINC000831949523 601576250 /nfs/dbraw/zinc/57/62/50/601576250.db2.gz AEJLDQQLKYZAHS-UHFFFAOYSA-N -2 0 318.332 1.552 20 0 DDADRL O=C(C=C1CCC1)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000833092773 601598576 /nfs/dbraw/zinc/59/85/76/601598576.db2.gz MTZMSQZAFUHTGQ-UHFFFAOYSA-N -2 0 309.343 1.441 20 0 DDADRL O=C([O-])CNC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000819526745 601755460 /nfs/dbraw/zinc/75/54/60/601755460.db2.gz CADUPVWSXPSKSH-UHFFFAOYSA-N -2 0 308.515 1.623 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(Cl)nc1 ZINC000833345057 601768570 /nfs/dbraw/zinc/76/85/70/601768570.db2.gz JLNDMQXNBYOGTB-UHFFFAOYSA-N -2 0 319.751 1.691 20 0 DDADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)c1 ZINC000832934898 601784728 /nfs/dbraw/zinc/78/47/28/601784728.db2.gz SNXXANKMBFPBMT-UHFFFAOYSA-N -2 0 312.322 1.972 20 0 DDADRL CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000739321130 601959031 /nfs/dbraw/zinc/95/90/31/601959031.db2.gz UKTJHEOFMUZKSW-SNVBAGLBSA-N -2 0 320.305 1.405 20 0 DDADRL Cc1oc(S(=O)(=O)[N-]c2cc(F)ccc2O)cc1C(=O)[O-] ZINC000833030408 602308551 /nfs/dbraw/zinc/30/85/51/602308551.db2.gz VDNUUODEFMEKFI-UHFFFAOYSA-N -2 0 315.278 1.932 20 0 DDADRL CN(C[C@H]1CCN(C(=O)c2c([O-])cc(F)cc2F)C1)C(=O)[O-] ZINC000739657766 602575226 /nfs/dbraw/zinc/57/52/26/602575226.db2.gz MAWZWHOICMZZMK-MRVPVSSYSA-N -2 0 314.288 1.742 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H](CCC)NC(=O)[O-] ZINC000739302577 602728638 /nfs/dbraw/zinc/72/86/38/602728638.db2.gz RNMLPAZNDQNTLQ-ZJUUUORDSA-N -2 0 308.400 1.305 20 0 DDADRL O=C([O-])Nc1ccc(C(=O)[N-]S(=O)(=O)c2ccccn2)cc1 ZINC000738661285 602949702 /nfs/dbraw/zinc/94/97/02/602949702.db2.gz RPNSEWZUQUDARY-UHFFFAOYSA-N -2 0 321.314 1.290 20 0 DDADRL CC(C)(CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)NC(=O)[O-] ZINC000738736186 602980174 /nfs/dbraw/zinc/98/01/74/602980174.db2.gz WXYMBEWZMKTNQQ-UHFFFAOYSA-N -2 0 320.305 1.405 20 0 DDADRL CC(=O)c1cccc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)c1 ZINC000387819178 604889029 /nfs/dbraw/zinc/88/90/29/604889029.db2.gz UUEONIKTZSFWDT-UHFFFAOYSA-N -2 0 320.326 1.783 20 0 DDADRL O=C([O-])N1CCCN(C(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000834103743 605854619 /nfs/dbraw/zinc/85/46/19/605854619.db2.gz LLEVLULULYVRPU-UHFFFAOYSA-N -2 0 300.261 1.496 20 0 DDADRL O=C([O-])N1CC[C@@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000834018002 605856330 /nfs/dbraw/zinc/85/63/30/605856330.db2.gz XHHLDCFLZCHANO-RXMQYKEDSA-N -2 0 304.224 1.292 20 0 DDADRL O=C([O-])Nc1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)c(Cl)c1 ZINC000834255275 605955631 /nfs/dbraw/zinc/95/56/31/605955631.db2.gz HIMFBFGQXKJSTE-UHFFFAOYSA-N -2 0 312.669 1.611 20 0 DDADRL O=C([O-])Cc1csc(NC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])n1 ZINC000834069088 606027963 /nfs/dbraw/zinc/02/79/63/606027963.db2.gz PFXYYUAKWNLSEB-HTQZYQBOSA-N -2 0 313.335 1.145 20 0 DDADRL O=C([O-])Cc1csc(NC(=O)CC2(NC(=O)[O-])CCC2)n1 ZINC000834069703 606027953 /nfs/dbraw/zinc/02/79/53/606027953.db2.gz WWWCAUAJBWSMOH-UHFFFAOYSA-N -2 0 313.335 1.289 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000834059830 606031211 /nfs/dbraw/zinc/03/12/11/606031211.db2.gz URHVXWIGCOPZEI-RNJOBUHISA-N -2 0 324.377 1.763 20 0 DDADRL O=C([O-])/C=C/c1ccc(NC(=O)CC2CN(C(=O)[O-])C2)cc1 ZINC000834060636 606055930 /nfs/dbraw/zinc/05/59/30/606055930.db2.gz HWKPMKXHCSIUJG-ZZXKWVIFSA-N -2 0 304.302 1.723 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)o1 ZINC000834246395 606058958 /nfs/dbraw/zinc/05/89/58/606058958.db2.gz MYTBKKAWSHEMHU-UHFFFAOYSA-N -2 0 310.306 1.420 20 0 DDADRL O=C([O-])c1ccc(NC(=O)CN(CC2CC2)C(=O)[O-])cc1F ZINC000834006550 606064952 /nfs/dbraw/zinc/06/49/52/606064952.db2.gz LXVJQGJWSUQBPR-UHFFFAOYSA-N -2 0 310.281 1.852 20 0 DDADRL O=C([O-])c1ccc(NC(=O)[C@H]2CSCN2C(=O)[O-])cc1F ZINC000834282819 606065580 /nfs/dbraw/zinc/06/55/80/606065580.db2.gz GTVBBXNVJZKOSF-SECBINFHSA-N -2 0 314.294 1.515 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)cc1 ZINC000834246847 606068551 /nfs/dbraw/zinc/06/85/51/606068551.db2.gz RCVSCTZWNWHZCH-CQSZACIVSA-N -2 0 324.358 1.144 20 0 DDADRL O=C([O-])N[C@@H](CC(=O)NC1(C(=O)[O-])CCC1)c1ccccc1 ZINC000834123640 606068661 /nfs/dbraw/zinc/06/86/61/606068661.db2.gz SIHWNHAGEAFHMZ-NSHDSACASA-N -2 0 306.318 1.509 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000834059828 606113532 /nfs/dbraw/zinc/11/35/32/606113532.db2.gz LIDZXEPDMCIQBC-NWDGAFQWSA-N -2 0 312.366 1.526 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000834059835 606113607 /nfs/dbraw/zinc/11/36/07/606113607.db2.gz LIDZXEPDMCIQBC-VXGBXAGGSA-N -2 0 312.366 1.526 20 0 DDADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777650181 698212546 /nfs/dbraw/zinc/21/25/46/698212546.db2.gz SYWBIXRQKHLZEQ-UHFFFAOYSA-N -2 0 321.358 1.792 20 0 DDADRL CC[C@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000314169944 698687333 /nfs/dbraw/zinc/68/73/33/698687333.db2.gz KHOBIZKVTUICGS-SSDOTTSWSA-N -2 0 320.298 1.123 20 0 DDADRL C[C@]1(C(=O)[O-])CCN(C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000840993150 702304153 /nfs/dbraw/zinc/30/41/53/702304153.db2.gz LJOSZBDRMYONKY-HNNXBMFYSA-N -2 0 306.318 1.391 20 0 DDADRL C[C@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccnn2C)cc1 ZINC000825449013 705672746 /nfs/dbraw/zinc/67/27/46/705672746.db2.gz JNLUVVIUXJYWEL-VIFPVBQESA-N -2 0 324.362 1.550 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)c(C)c1 ZINC000863951744 706044561 /nfs/dbraw/zinc/04/45/61/706044561.db2.gz BDWORWDACOZASZ-LBPRGKRZSA-N -2 0 313.375 1.465 20 0 DDADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C)s1 ZINC000863952776 706045137 /nfs/dbraw/zinc/04/51/37/706045137.db2.gz HFARWOQUYUCRFX-UHFFFAOYSA-N -2 0 319.404 1.752 20 0 DDADRL Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000863952362 706045196 /nfs/dbraw/zinc/04/51/96/706045196.db2.gz UFACQKSPBXFMBJ-AWEZNQCLSA-N -2 0 311.359 1.301 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000863955708 706046106 /nfs/dbraw/zinc/04/61/06/706046106.db2.gz VTBFGNLAVPVMOM-ZYHUDNBSSA-N -2 0 313.375 1.550 20 0 DDADRL Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c(C)c1 ZINC000910186008 709802164 /nfs/dbraw/zinc/80/21/64/709802164.db2.gz MAJGNVKFOWMPOL-WCQYABFASA-N -2 0 305.330 1.693 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H]2C[C@H](N=c3nn[n-]n3Cc3ccccc3)[C@@H]2C1 ZINC000910387391 709919015 /nfs/dbraw/zinc/91/90/15/709919015.db2.gz YJRRVKUIZQIWNL-SYQHCUMBSA-N -2 0 313.361 1.055 20 0 DDADRL Cc1cccc(CO[N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)n1 ZINC000911820956 711013547 /nfs/dbraw/zinc/01/35/47/711013547.db2.gz FVDZXFAPKMNIGS-UHFFFAOYSA-N -2 0 304.346 1.973 20 0 DDADRL C[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2[O-])[C@H]1C(=O)[O-] ZINC000906788736 712411765 /nfs/dbraw/zinc/41/17/65/712411765.db2.gz MGAXYRHWDBBNOI-OIBJUYFYSA-N -2 0 319.766 1.529 20 0 DDADRL O=C(NCCNc1cc([S-])cc([S-])c1)N1CCOCC1 ZINC001167895999 739198600 /nfs/dbraw/zinc/19/86/00/739198600.db2.gz YBFRBANSPQBGJA-UHFFFAOYSA-N -2 0 313.448 1.718 20 0 DDADRL O=C(CC1CCC(F)(F)CC1)NCCOP(=O)([O-])[O-] ZINC001181429888 743187554 /nfs/dbraw/zinc/18/75/54/743187554.db2.gz APKQSSNKPMUDLA-UHFFFAOYSA-N -2 0 301.226 1.428 20 0 DDADRL Cc1cnn(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185877223 744306943 /nfs/dbraw/zinc/30/69/43/744306943.db2.gz FPDJZTKTASCEKC-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL O=C(NCCCC[P@](=O)([O-])O)c1c([O-])ccc(F)c1F ZINC001192785053 745891381 /nfs/dbraw/zinc/89/13/81/745891381.db2.gz BRRRJKJTFZBSSW-UHFFFAOYSA-N -2 0 309.205 1.358 20 0 DDADRL CCOC(=O)CS(=O)(=O)[N-]c1c([S-])cccc1Cl ZINC001195983629 746746103 /nfs/dbraw/zinc/74/61/03/746746103.db2.gz AEDNOXDIJWSHSS-UHFFFAOYSA-N -2 0 309.796 1.934 20 0 DDADRL CC(C)(CC(=O)NCCOP(=O)([O-])[O-])c1ccccc1 ZINC001144733379 772606498 /nfs/dbraw/zinc/60/64/98/772606498.db2.gz NKNNCUDCBOTBDN-UHFFFAOYSA-N -2 0 301.279 1.580 20 0 DDADRL O=C([O-])c1ccc(Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)cc1 ZINC001176715911 778231650 /nfs/dbraw/zinc/23/16/50/778231650.db2.gz UNIZKNHUBOOZIM-UHFFFAOYSA-N -2 0 318.310 1.561 20 0 DDADRL Cc1cc2ccccc2n1CC(=O)NCCOP(=O)([O-])[O-] ZINC001180433030 779758237 /nfs/dbraw/zinc/75/82/37/779758237.db2.gz PZFNZAYEFMPCGO-UHFFFAOYSA-N -2 0 312.262 1.175 20 0 DDADRL O=P([O-])([O-])OCCNc1ncnc2ccc(Cl)cc21 ZINC001157787346 864139592 /nfs/dbraw/zinc/13/95/92/864139592.db2.gz HQASEBMREXMVKD-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL O=P([O-])([O-])Oc1ccc(OC2CCN(CCF)CC2)cc1 ZINC001234333622 887874146 /nfs/dbraw/zinc/87/41/46/887874146.db2.gz YYKCWPIYYCOURE-UHFFFAOYSA-N -2 0 319.269 1.971 20 0 DDADRL COc1cnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1OC ZINC001242159401 891354172 /nfs/dbraw/zinc/35/41/72/891354172.db2.gz NOICPRIAYDCFMQ-UHFFFAOYSA-N -2 0 304.258 1.557 20 0 DDADRL CCNC(=O)c1cccnc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242159280 891354218 /nfs/dbraw/zinc/35/42/18/891354218.db2.gz KQIMARYSRVIMOG-UHFFFAOYSA-N -2 0 314.297 1.895 20 0 DDADRL O=C([O-])c1cnc(F)c(-c2ccc3c(c2)S(=O)(=O)[N-]C3=O)c1 ZINC001244762635 891913726 /nfs/dbraw/zinc/91/37/26/891913726.db2.gz PEYMQKLZQMCEDZ-UHFFFAOYSA-N -2 0 322.273 1.018 20 0 DDADRL Cn1ccc(S(=O)(=O)[N-]c2ccc(-n3ccc(=O)[n-]3)cc2)n1 ZINC001259945255 898962591 /nfs/dbraw/zinc/96/25/91/898962591.db2.gz RSQKNXYTMXDQAT-UHFFFAOYSA-N -2 0 319.346 1.112 20 0 DDADRL CN(C)c1cncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001260183826 899076369 /nfs/dbraw/zinc/07/63/69/899076369.db2.gz CHHZOPSXGRUNMA-UHFFFAOYSA-N -2 0 321.358 1.647 20 0 DDADRL CC(C)(CC[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000336843578 535040185 /nfs/dbraw/zinc/04/01/85/535040185.db2.gz XGECAAIUMCCVOA-UHFFFAOYSA-N -2 0 307.318 1.744 20 0 DDADRL CC(C)CCC(=O)N[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000066589455 353006219 /nfs/dbraw/zinc/00/62/19/353006219.db2.gz IXMBFPOFCOMQRB-UHFFFAOYSA-N -2 0 314.363 1.131 20 0 DDADRL Cc1noc(C)c1S(=O)(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000315481763 354494014 /nfs/dbraw/zinc/49/40/14/354494014.db2.gz ZVXQELPDENAKHQ-LBPRGKRZSA-N -2 0 324.358 1.438 20 0 DDADRL O=C([O-])c1ccc(CC[N-]S(=O)(=O)CC(F)(F)F)cc1 ZINC000566179899 304124990 /nfs/dbraw/zinc/12/49/90/304124990.db2.gz QQHCYTQNRPBDKJ-UHFFFAOYSA-N -2 0 311.281 1.409 20 0 DDADRL CC(C)[C@H](CNC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)C(=O)[O-] ZINC000626774631 367740192 /nfs/dbraw/zinc/74/01/92/367740192.db2.gz KKLIGTKMMXRSEM-MXWKQRLJSA-N -2 0 300.355 1.095 20 0 DDADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000336852073 249257483 /nfs/dbraw/zinc/25/74/83/249257483.db2.gz IVKVLGDXSMAPRD-UHFFFAOYSA-N -2 0 321.314 1.963 20 0 DDADRL O=C([O-])[C@@]1(NC(=O)c2ccc([O-])c(Cl)c2)CCSC1 ZINC000043503707 183367993 /nfs/dbraw/zinc/36/79/93/183367993.db2.gz CRQPFSXGOVOSRF-GFCCVEGCSA-N -2 0 301.751 1.736 20 0 DDADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1cccnc1 ZINC000061564228 184174498 /nfs/dbraw/zinc/17/44/98/184174498.db2.gz LKPOFTFBMPBZSW-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL CCC(C)(C)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000190883497 408335605 /nfs/dbraw/zinc/33/56/05/408335605.db2.gz YIBDAPUABHCKOC-UHFFFAOYSA-N -2 0 304.350 1.498 20 0 DDADRL O=C(CSc1n[n-]c(=S)s1)[N-]OC[C@H]1CCOC1 ZINC000276439018 408858551 /nfs/dbraw/zinc/85/85/51/408858551.db2.gz KZAVYSOFBCFWHI-LURJTMIESA-N -2 0 307.422 1.003 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2cnc(C)nc2)cc1C(=O)[O-] ZINC000343262851 410288398 /nfs/dbraw/zinc/28/83/98/410288398.db2.gz GENYBCKGKFTBHP-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL CCC(CC)c1n[n-]c(=NC(=O)NCc2n[nH]c(=O)[n-]2)s1 ZINC000354310167 306771360 /nfs/dbraw/zinc/77/13/60/306771360.db2.gz GFCMRUHZNOKGAB-UHFFFAOYSA-N -2 0 311.371 1.009 20 0 DDADRL CN(CCCC(=O)[O-])C(=O)N=c1nc2cc(Cl)ccn2[n-]1 ZINC000417776130 420476442 /nfs/dbraw/zinc/47/64/42/420476442.db2.gz PIWFRVGMPBHKNZ-UHFFFAOYSA-N -2 0 311.729 1.133 20 0 DDADRL CCCSC[C@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000547905822 421378443 /nfs/dbraw/zinc/37/84/43/421378443.db2.gz GBUQRUDFSBMBOB-RQJHMYQMSA-N -2 0 323.358 1.453 20 0 DDADRL COC[C@H](C)S(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])cc1OC ZINC000548590442 421452282 /nfs/dbraw/zinc/45/22/82/421452282.db2.gz XNRGHWPQCAKNCD-ZETCQYMHSA-N -2 0 321.326 1.309 20 0 DDADRL CCOC(=O)c1cc(=NC(=O)c2ccc(C)c(C)c2[O-])[nH][n-]1 ZINC000543762799 421841464 /nfs/dbraw/zinc/84/14/64/421841464.db2.gz ARZYJTLYRUGRNB-UHFFFAOYSA-N -2 0 303.318 1.583 20 0 DDADRL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000653278217 423414838 /nfs/dbraw/zinc/41/48/38/423414838.db2.gz ISXAAORJEUFQES-FRRDWIJNSA-N -2 0 305.330 1.299 20 0 DDADRL CCCCc1n[n-]c(=NC(=O)c2ccc3oc(=O)nc-3[n-]2)s1 ZINC000646625919 423552572 /nfs/dbraw/zinc/55/25/72/423552572.db2.gz QEJJFIVYYJJEGT-UHFFFAOYSA-N -2 0 319.346 1.797 20 0 DDADRL O=C([O-])[C@@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)C1CCC1 ZINC000665313411 424780282 /nfs/dbraw/zinc/78/02/82/424780282.db2.gz JQDVUUSWLFPYGN-MCIGGMRASA-N -2 0 312.366 1.430 20 0 DDADRL CCn1nccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1C ZINC000547871764 303557379 /nfs/dbraw/zinc/55/73/79/303557379.db2.gz STFYIJUBQOQBRU-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL O=C([O-])C1(NC(=O)c2cc(F)c(F)c([O-])c2F)CCCC1 ZINC000037365879 337364721 /nfs/dbraw/zinc/36/47/21/337364721.db2.gz OTHNJMJTEFNSLV-UHFFFAOYSA-N -2 0 303.236 1.937 20 0 DDADRL C[C@@H](CNC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)C(=O)[O-] ZINC000655885929 483977786 /nfs/dbraw/zinc/97/77/86/483977786.db2.gz ZSWVYULSCWCYQT-ZETCQYMHSA-N -2 0 324.362 1.259 20 0 DDADRL CO[C@H](CS(=O)(=O)[N-]c1ccccc1O)[C@H]1CCOC1 ZINC000656613682 484243972 /nfs/dbraw/zinc/24/39/72/484243972.db2.gz NWXHTALHKUQWCJ-GXFFZTMASA-N -2 0 301.364 1.185 20 0 DDADRL C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000663117408 484681857 /nfs/dbraw/zinc/68/18/57/484681857.db2.gz OTHNCTDVTFJGPC-BXKDBHETSA-N -2 0 307.302 1.228 20 0 DDADRL CCCc1nc(=NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)s[n-]1 ZINC000422543429 528688762 /nfs/dbraw/zinc/68/87/62/528688762.db2.gz RVZIQOPIRVRXIX-DTWKUNHWSA-N -2 0 312.395 1.487 20 0 DDADRL Cc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000314135672 597443015 /nfs/dbraw/zinc/44/30/15/597443015.db2.gz RZRYLPFCKFSQQX-UHFFFAOYSA-N -2 0 307.350 1.551 20 0 DDADRL CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000037464418 599735011 /nfs/dbraw/zinc/73/50/11/599735011.db2.gz UQVZPLDSJRKVLA-UHFFFAOYSA-N -2 0 309.299 1.981 20 0 DDADRL CC=CCS(=O)(=O)C(C)=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736833889 599885297 /nfs/dbraw/zinc/88/52/97/599885297.db2.gz FXYOKHRVDJGSDW-OMMCCPJFSA-N -2 0 313.375 1.892 20 0 DDADRL Cn1nccc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)[O-])c1 ZINC000739063283 600099482 /nfs/dbraw/zinc/09/94/82/600099482.db2.gz YZOJKWJAJFHFBA-UHFFFAOYSA-N -2 0 314.298 1.450 20 0 DDADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])C(C)(C)C ZINC000736215019 600201922 /nfs/dbraw/zinc/20/19/22/600201922.db2.gz IBHSOZGDAUCQEU-ZETCQYMHSA-N -2 0 319.404 1.933 20 0 DDADRL CC(C)c1csc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1 ZINC000049235762 600975995 /nfs/dbraw/zinc/97/59/95/600975995.db2.gz IJOCOLXUDXXDDZ-UHFFFAOYSA-N -2 0 315.376 2.094 20 0 DDADRL COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1F ZINC000831585631 601266868 /nfs/dbraw/zinc/26/68/68/601266868.db2.gz OGPATXNKRRWJLR-GFCCVEGCSA-N -2 0 323.317 1.123 20 0 DDADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000833346398 601603425 /nfs/dbraw/zinc/60/34/25/601603425.db2.gz JPAXQAFGNKYLPM-UHFFFAOYSA-N -2 0 320.298 1.920 20 0 DDADRL CCc1ccc(NS(=O)(=O)C[C@@H](C)C(=O)[O-])c(C(=O)[O-])c1 ZINC000830253664 601616324 /nfs/dbraw/zinc/61/63/24/601616324.db2.gz KKKYLWXLQLKYGZ-MRVPVSSYSA-N -2 0 315.347 1.410 20 0 DDADRL C[C@@H]1CN(Cc2c([O-])nnn2-c2ccccc2)C[C@H]1C(=O)[O-] ZINC000828457714 601816801 /nfs/dbraw/zinc/81/68/01/601816801.db2.gz WXCSVNCICXGABP-ZYHUDNBSSA-N -2 0 302.334 1.125 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000833345819 601830700 /nfs/dbraw/zinc/83/07/00/601830700.db2.gz YOHGVRXJPNLQIS-UHFFFAOYSA-N -2 0 320.298 1.920 20 0 DDADRL CC(C)S(=O)(=O)[N-]C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000738870215 602566441 /nfs/dbraw/zinc/56/64/41/602566441.db2.gz TVTYNGCVRSARTC-UHFFFAOYSA-N -2 0 304.299 1.384 20 0 DDADRL CC(C)(CC(=O)N[C@H](CNC(=O)[O-])C1CCCCC1)C(=O)[O-] ZINC000738733320 602789378 /nfs/dbraw/zinc/78/93/78/602789378.db2.gz UJTXFTKZUPIOOJ-LLVKDONJSA-N -2 0 314.382 1.820 20 0 DDADRL CN(CCCNC(=O)[O-])C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000828302552 603636824 /nfs/dbraw/zinc/63/68/24/603636824.db2.gz QKEIVODAIKQKDV-UHFFFAOYSA-N -2 0 318.333 1.308 20 0 DDADRL CCCCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000826847805 604209896 /nfs/dbraw/zinc/20/98/96/604209896.db2.gz OFCHARDWPZFODT-UWVGGRQHSA-N -2 0 306.384 1.059 20 0 DDADRL C[C@H](CN(C)C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000824868758 604255268 /nfs/dbraw/zinc/25/52/68/604255268.db2.gz QSXFLGPXGABKIJ-SNVBAGLBSA-N -2 0 320.411 1.259 20 0 DDADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccsc2)C1 ZINC000833184825 604413318 /nfs/dbraw/zinc/41/33/18/604413318.db2.gz UOJPEBRQOFPKMV-DTWKUNHWSA-N -2 0 317.388 1.444 20 0 DDADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000833339248 604890383 /nfs/dbraw/zinc/89/03/83/604890383.db2.gz IAHVSAMFUBKKTG-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL O=C([O-])Cc1csc(NC(=O)C2CCN(C(=O)[O-])CC2)n1 ZINC000834069605 606028146 /nfs/dbraw/zinc/02/81/46/606028146.db2.gz UVYZLCYCQWUUCL-UHFFFAOYSA-N -2 0 313.335 1.099 20 0 DDADRL CC(C)[C@H](NC(=O)C[C@@H](NC(=O)[O-])c1ccccc1)C(=O)[O-] ZINC000833792683 606032068 /nfs/dbraw/zinc/03/20/68/606032068.db2.gz LZYJYGPWIZOSIS-YPMHNXCESA-N -2 0 308.334 1.611 20 0 DDADRL O=C([O-])N[C@H]1CC[C@@H](C(=O)N2CCc3cc(C(=O)[O-])ccc32)C1 ZINC000834166566 606034800 /nfs/dbraw/zinc/03/48/00/606034800.db2.gz WZPGHQHOKWZINC-PWSUYJOCSA-N -2 0 318.329 1.710 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@H]1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000834173029 606035068 /nfs/dbraw/zinc/03/50/68/606035068.db2.gz OOXVKGUEDUOWRO-GMTAPVOTSA-N -2 0 310.350 1.136 20 0 DDADRL O=C([O-])COc1cccc(NC(=O)[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000834065272 606057370 /nfs/dbraw/zinc/05/73/70/606057370.db2.gz JRKJBGNRJCJRIK-JTQLQIEISA-N -2 0 322.317 1.479 20 0 DDADRL O=C([O-])[C@H](CNC(=O)[C@H]1CCN(C(=O)[O-])C1)Cc1ccccc1 ZINC000834058893 606058103 /nfs/dbraw/zinc/05/81/03/606058103.db2.gz PFLAJMZHJHTNRW-STQMWFEESA-N -2 0 320.345 1.046 20 0 DDADRL CCCCCC[C@](C)(NC(=O)[C@@H]1CCN(C(=O)[O-])C1)C(=O)[O-] ZINC000833854241 606112638 /nfs/dbraw/zinc/11/26/38/606112638.db2.gz WMQLBEUOJMZHKN-ABAIWWIYSA-N -2 0 314.382 1.916 20 0 DDADRL O=C([O-])CC1(CNC(=O)[C@H]2CCCN2C(=O)[O-])CCCCC1 ZINC000834061116 606113978 /nfs/dbraw/zinc/11/39/78/606113978.db2.gz OQIAHWNFKHRIBV-LLVKDONJSA-N -2 0 312.366 1.670 20 0 DDADRL CS[C@H](C)C(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000043007196 696152953 /nfs/dbraw/zinc/15/29/53/696152953.db2.gz WSEQCNCJIDDZOJ-SECBINFHSA-N -2 0 320.374 1.090 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCCOC2)c(F)cc1F ZINC000844893781 703081621 /nfs/dbraw/zinc/08/16/21/703081621.db2.gz LPXPDHJAUXSQIX-ZETCQYMHSA-N -2 0 321.301 1.120 20 0 DDADRL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)c1 ZINC000863956471 706046290 /nfs/dbraw/zinc/04/62/90/706046290.db2.gz KTGALNXZVSTVCZ-LLVKDONJSA-N -2 0 317.338 1.296 20 0 DDADRL O=C([O-])CCC(=O)[N-]S(=O)(=O)[C@@H]1CCCc2ccccc21 ZINC000863963869 706047520 /nfs/dbraw/zinc/04/75/20/706047520.db2.gz JOABVFXUVONVSJ-GFCCVEGCSA-N -2 0 311.359 1.375 20 0 DDADRL CC(C)(CCNS(=O)(=O)c1ccc(Cl)nc1F)C(=O)[O-] ZINC000864497226 706182257 /nfs/dbraw/zinc/18/22/57/706182257.db2.gz KUSXHSDKODANHG-UHFFFAOYSA-N -2 0 324.761 1.653 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000899942042 709245115 /nfs/dbraw/zinc/24/51/15/709245115.db2.gz DOOWNGHEZJZBDG-CIUDSAMLSA-N -2 0 317.329 1.748 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)/C=C/c2cccc(F)c2)C1 ZINC000910184202 709801712 /nfs/dbraw/zinc/80/17/12/709801712.db2.gz FCKPCDHRBPHOQC-VVTYTDBCSA-N -2 0 321.304 1.615 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CSc2ccccc2)C1 ZINC000910186589 709802591 /nfs/dbraw/zinc/80/25/91/709802591.db2.gz SANOHICSAHWDSD-JQWIXIFHSA-N -2 0 323.370 1.555 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc(Cl)cc2)C1 ZINC000910187119 709802849 /nfs/dbraw/zinc/80/28/49/709802849.db2.gz ZUPMZBTWCVBQSA-MWLCHTKSSA-N -2 0 311.721 1.730 20 0 DDADRL C[C@@H]1CCCC[C@@H]1CC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910190970 709805205 /nfs/dbraw/zinc/80/52/05/709805205.db2.gz GWJJLOYCEOLDQO-NDBYEHHHSA-N -2 0 311.378 1.979 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)/C=C\C2CCCCC2)C1 ZINC000910192446 709805833 /nfs/dbraw/zinc/80/58/33/709805833.db2.gz QHWSBLNGKSPVQS-KPRDYVAISA-N -2 0 309.362 1.899 20 0 DDADRL O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000910588938 710012364 /nfs/dbraw/zinc/01/23/64/710012364.db2.gz ANCJUUXDDXGXTP-GXSJLCMTSA-N -2 0 313.737 1.798 20 0 DDADRL O=[P@@]([O-])(O)C1(Nc2ncncc2F)Cc2ccccc2C1 ZINC001167939934 739754675 /nfs/dbraw/zinc/75/46/75/739754675.db2.gz SICCAYKLFKPFPE-UHFFFAOYSA-N -2 0 309.237 1.700 20 0 DDADRL O=S(=O)([N-]c1cccnc1)c1ccc(-c2nn[nH]n2)cc1 ZINC001185555554 744246205 /nfs/dbraw/zinc/24/62/05/744246205.db2.gz ACDHTDDPGQGLFO-UHFFFAOYSA-N -2 0 302.319 1.063 20 0 DDADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccno2)c1 ZINC001187548617 744578369 /nfs/dbraw/zinc/57/83/69/744578369.db2.gz SYRZOPXBJROKMR-UHFFFAOYSA-N -2 0 302.695 1.827 20 0 DDADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H]2[CH]CC=C2)c1 ZINC001187606848 744585131 /nfs/dbraw/zinc/58/51/31/744585131.db2.gz ZCIQIPPXBBCIII-SECBINFHSA-N -2 0 300.743 1.849 20 0 DDADRL Cc1oc2cc(O)ccc2c1C(=O)NCCOP(=O)([O-])[O-] ZINC001198626793 747555432 /nfs/dbraw/zinc/55/54/32/747555432.db2.gz LVWHARRHGRJABJ-UHFFFAOYSA-N -2 0 315.218 1.286 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)Nc1nc(F)ccc1F ZINC001198746627 747588996 /nfs/dbraw/zinc/58/89/96/747588996.db2.gz HDCGICOKZYYSCJ-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL CN1Cc2c(NCCOP(=O)([O-])[O-])cccc2NC1=O ZINC001168596510 751273138 /nfs/dbraw/zinc/27/31/38/751273138.db2.gz UTDOHYRIUOZFNW-UHFFFAOYSA-N -2 0 301.239 1.185 20 0 DDADRL O=P([O-])([O-])OCCN[C@H](F)Oc1ccnc(Cl)c1 ZINC001157787843 766645164 /nfs/dbraw/zinc/64/51/64/766645164.db2.gz RFFOLQHPFQISOC-QMMMGPOBSA-N -2 0 300.610 1.066 20 0 DDADRL CC(C)(C)c1ccc(C(=O)NCCOP(=O)([O-])[O-])cn1 ZINC001147805192 773234667 /nfs/dbraw/zinc/23/46/67/773234667.db2.gz RJBOTTBOQCKLMR-UHFFFAOYSA-N -2 0 302.267 1.218 20 0 DDADRL CC(C)O[N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-]OC(C)C ZINC001117848280 780915976 /nfs/dbraw/zinc/91/59/76/780915976.db2.gz VBLDRPFJKORJTH-UHFFFAOYSA-N -2 0 304.240 1.169 20 0 DDADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@H](C)C(=O)[O-] ZINC001326203618 861186220 /nfs/dbraw/zinc/18/62/20/861186220.db2.gz HVHOKSUDNKQNAT-QMMMGPOBSA-N -2 0 323.374 1.856 20 0 DDADRL O=C([O-])c1sccc1-c1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001205587041 871643036 /nfs/dbraw/zinc/64/30/36/871643036.db2.gz YCLYPDZGMMNKCX-UHFFFAOYSA-N -2 0 309.324 1.545 20 0 DDADRL COC[C@@H](C)OC[C@H](C)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234336204 887878714 /nfs/dbraw/zinc/87/87/14/887878714.db2.gz PXEAUVARPLVSBL-MNOVXSKESA-N -2 0 320.278 1.977 20 0 DDADRL CN1CCOc2cc(-c3ccc(P(=O)([O-])[O-])cc3)cnc21 ZINC001239619687 890692949 /nfs/dbraw/zinc/69/29/49/890692949.db2.gz WLJFKOUQKILWAC-UHFFFAOYSA-N -2 0 306.258 1.380 20 0 DDADRL CN(C)C(=O)c1ccc(-c2ccc(P(=O)([O-])[O-])cc2)c(F)c1 ZINC001242127156 891349798 /nfs/dbraw/zinc/34/97/98/891349798.db2.gz GEDOBHINGHWYKS-UHFFFAOYSA-N -2 0 323.260 1.998 20 0 DDADRL C[C@@H](NC(=S)NCCOP(=O)([O-])[O-])c1ccc(F)cc1 ZINC001249617923 894067397 /nfs/dbraw/zinc/06/73/97/894067397.db2.gz YNOBYGJYALPOGS-MRVPVSSYSA-N -2 0 322.298 1.460 20 0 DDADRL CCS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)CC(C)C)c1 ZINC001259877805 898888046 /nfs/dbraw/zinc/88/80/46/898888046.db2.gz SSZGOPLFNOQROH-UHFFFAOYSA-N -2 0 321.420 1.584 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc3nccn32)c1 ZINC001260182644 899074811 /nfs/dbraw/zinc/07/48/11/899074811.db2.gz LDDIDMHSIMJDBO-UHFFFAOYSA-N -2 0 317.326 1.833 20 0 DDADRL Cc1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)nc1C ZINC001260184030 899075433 /nfs/dbraw/zinc/07/54/33/899075433.db2.gz OIDGOKHZTJFHPD-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL CCOc1cncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001260183888 899076262 /nfs/dbraw/zinc/07/62/62/899076262.db2.gz GWYIRPKTPRENBL-UHFFFAOYSA-N -2 0 322.342 1.979 20 0 DDADRL CC(=O)c1ccncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260221740 899096515 /nfs/dbraw/zinc/09/65/15/899096515.db2.gz QMBAUYNOAPCLLU-UHFFFAOYSA-N -2 0 320.326 1.783 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cn1 ZINC000172605648 198122697 /nfs/dbraw/zinc/12/26/97/198122697.db2.gz INKNEQLZXJPTNR-UHFFFAOYSA-N -2 0 323.374 1.583 20 0 DDADRL COC(=O)c1ccc(=N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)[n-]n1 ZINC000593329631 355855350 /nfs/dbraw/zinc/85/53/50/355855350.db2.gz ZNANCMDNAVNIMM-AAEUAGOBSA-N -2 0 313.313 1.410 20 0 DDADRL O=C([O-])c1ccc(CNC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000243869068 202478055 /nfs/dbraw/zinc/47/80/55/202478055.db2.gz RLTUNKXFFKBHJN-UHFFFAOYSA-N -2 0 306.318 1.391 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cn1 ZINC000349999769 284130388 /nfs/dbraw/zinc/13/03/88/284130388.db2.gz FADJLWOHDWYQGZ-UHFFFAOYSA-N -2 0 308.315 1.595 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cn1 ZINC000350837316 284269338 /nfs/dbraw/zinc/26/93/38/284269338.db2.gz SULXGVFMQRDRJP-UHFFFAOYSA-N -2 0 322.342 1.518 20 0 DDADRL COc1cc([N-]S(=O)(=O)c2ccc(C)nc2)ccc1C(=O)[O-] ZINC000350940741 284284927 /nfs/dbraw/zinc/28/49/27/284284927.db2.gz LWVCOYFTWMZWFG-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000062950667 184261977 /nfs/dbraw/zinc/26/19/77/184261977.db2.gz MVYKIYUSUGCDJP-UHFFFAOYSA-N -2 0 313.722 1.629 20 0 DDADRL Cn1nccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000134279469 162074594 /nfs/dbraw/zinc/07/45/94/162074594.db2.gz PVWSEZQJZRGEAA-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL CCCN(CC(=O)[O-])C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000184893803 408711919 /nfs/dbraw/zinc/71/19/19/408711919.db2.gz BTQDLUAKCACWOK-UHFFFAOYSA-N -2 0 303.318 1.515 20 0 DDADRL O=C(Cn1c(=O)c2ccccc2[n-]c1=S)[N-]OCC1CC1 ZINC000293811796 409185681 /nfs/dbraw/zinc/18/56/81/409185681.db2.gz QRINMNQMIXVEOM-UHFFFAOYSA-N -2 0 305.359 1.143 20 0 DDADRL O=C(N=c1nc2ccccn2[n-]1)c1cc(F)c(F)c([O-])c1F ZINC000647745996 423028700 /nfs/dbraw/zinc/02/87/00/423028700.db2.gz JQTCTCWRSGTLPN-UHFFFAOYSA-N -2 0 308.219 1.526 20 0 DDADRL CO[C@H](C)c1nc(=NC[C@H](C(=O)[O-])c2ccccc2)s[n-]1 ZINC000385862100 418738274 /nfs/dbraw/zinc/73/82/74/418738274.db2.gz JTVAFQHQDQNURM-KOLCDFICSA-N -2 0 307.375 1.948 20 0 DDADRL CN(CCC(=O)[O-])C(=O)c1cc(C(=O)[O-])n(-c2ccccc2)n1 ZINC000436061606 420306817 /nfs/dbraw/zinc/30/68/17/420306817.db2.gz ULNGCGJCNSPIOP-UHFFFAOYSA-N -2 0 317.301 1.117 20 0 DDADRL CCCc1nc(=NC(=O)c2cc(NC(C)=O)ccc2[O-])s[n-]1 ZINC000436787460 420364669 /nfs/dbraw/zinc/36/46/69/420364669.db2.gz OUGLXMPSGOFOEL-UHFFFAOYSA-N -2 0 320.374 1.829 20 0 DDADRL Cn1ncc([N-]S(=O)(=O)c2cccc(F)c2F)c1C(=O)[O-] ZINC000538742693 421742310 /nfs/dbraw/zinc/74/23/10/421742310.db2.gz LTLGDXMHKSZZBU-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653326802 423442309 /nfs/dbraw/zinc/44/23/09/423442309.db2.gz LELYPQWMJDUJCV-XQQFMLRXSA-N -2 0 305.330 1.773 20 0 DDADRL Cc1cc(CS(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)on1 ZINC000644629213 423734269 /nfs/dbraw/zinc/73/42/69/423734269.db2.gz DVVLGLWRVWKGCX-UHFFFAOYSA-N -2 0 314.294 1.762 20 0 DDADRL CC1(C(=O)[O-])CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000659781876 424251989 /nfs/dbraw/zinc/25/19/89/424251989.db2.gz NUFIYPYPQYOXEQ-UHFFFAOYSA-N -2 0 321.329 1.477 20 0 DDADRL CC(C)[C@H](Nc1cc(N[C@H](C(=O)[O-])C(C)C)ncn1)C(=O)[O-] ZINC000662878632 424796525 /nfs/dbraw/zinc/79/65/25/424796525.db2.gz XETQHJUCNWOTAA-RYUDHWBXSA-N -2 0 310.354 1.519 20 0 DDADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cccnc1)OCO2 ZINC000548197301 303577076 /nfs/dbraw/zinc/57/70/76/303577076.db2.gz LGTQYQUXFCENFD-UHFFFAOYSA-N -2 0 322.298 1.309 20 0 DDADRL CC(C)(O)CONC(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000375425620 307225647 /nfs/dbraw/zinc/22/56/47/307225647.db2.gz KXONPENSYQSOCH-UHFFFAOYSA-N -2 0 314.392 1.513 20 0 DDADRL O=C([O-])c1cccc([N-]S(=O)(=O)CCC(F)(F)F)c1O ZINC000578572843 308470458 /nfs/dbraw/zinc/47/04/58/308470458.db2.gz SMZAQJLILSNPFU-UHFFFAOYSA-N -2 0 313.253 1.785 20 0 DDADRL CCC(CC)(CNC(=O)N1CCC[C@H](CC(=O)[O-])C1)C(=O)[O-] ZINC000580064342 308576909 /nfs/dbraw/zinc/57/69/09/308576909.db2.gz YCWFBVWWULNRFC-LLVKDONJSA-N -2 0 314.382 1.774 20 0 DDADRL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000417416090 533699270 /nfs/dbraw/zinc/69/92/70/533699270.db2.gz HOPWCLOIABHCJN-RXMQYKEDSA-N -2 0 313.709 1.760 20 0 DDADRL C[C@@](CNC(=O)C1(C(=O)[O-])CCC1)(C(=O)[O-])c1ccccc1 ZINC000663117871 484681782 /nfs/dbraw/zinc/68/17/82/484681782.db2.gz BTEMVEYFLZGENM-HNNXBMFYSA-N -2 0 305.330 1.400 20 0 DDADRL CCCc1n[n-]c(=NC(=O)NCC(CC)(CC)C(=O)[O-])s1 ZINC000424468641 528679527 /nfs/dbraw/zinc/67/95/27/528679527.db2.gz JXFRZESTRQFZGN-UHFFFAOYSA-N -2 0 314.411 1.925 20 0 DDADRL CCn1nccc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000737312485 600054362 /nfs/dbraw/zinc/05/43/62/600054362.db2.gz RVMBLFVKFSWGBL-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)cn1 ZINC000737302386 600055064 /nfs/dbraw/zinc/05/50/64/600055064.db2.gz FRCFEDLRZVZJRW-UHFFFAOYSA-N -2 0 316.364 1.167 20 0 DDADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)cn1 ZINC000229772873 600101801 /nfs/dbraw/zinc/10/18/01/600101801.db2.gz AANSHZRPJCSIOR-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL CCS[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C(C)C ZINC000737231036 600460303 /nfs/dbraw/zinc/46/03/03/600460303.db2.gz YQZBCKRHJDUCDQ-JTQLQIEISA-N -2 0 311.425 1.075 20 0 DDADRL O=C([O-])CCCOc1ccc(NC(=O)c2n[nH]c(=O)[n-]2)cc1 ZINC000739686994 600506647 /nfs/dbraw/zinc/50/66/47/600506647.db2.gz JZFYLAKSPWPMGQ-UHFFFAOYSA-N -2 0 306.278 1.006 20 0 DDADRL C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccco1 ZINC000826008442 600944259 /nfs/dbraw/zinc/94/42/59/600944259.db2.gz HZEYNSVYWJWSBO-VIFPVBQESA-N -2 0 323.326 1.586 20 0 DDADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000833334849 600983178 /nfs/dbraw/zinc/98/31/78/600983178.db2.gz MSXKVXNUKARAIW-UHFFFAOYSA-N -2 0 313.722 1.629 20 0 DDADRL CCC1CCC(NC(=O)c2ccc(C(=O)[O-])nc2)(C(=O)[O-])CC1 ZINC000829093963 601275901 /nfs/dbraw/zinc/27/59/01/601275901.db2.gz CLCPAMOWBJBSIM-UHFFFAOYSA-N -2 0 320.345 1.933 20 0 DDADRL O=C([O-])NC[C@@H]1CCN(Cc2c([O-])nnn2-c2ccccc2)C1 ZINC000740645194 601913307 /nfs/dbraw/zinc/91/33/07/601913307.db2.gz WYVLJAZLAHBRLG-NSHDSACASA-N -2 0 317.349 1.062 20 0 DDADRL O=C([O-])N1CCc2cc([N-]S(=O)(=O)c3cn[nH]c3)ccc21 ZINC000740529956 602244259 /nfs/dbraw/zinc/24/42/59/602244259.db2.gz QLCBAWASPMOEJR-UHFFFAOYSA-N -2 0 308.319 1.251 20 0 DDADRL CCC(=CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])CC ZINC000828549091 602383786 /nfs/dbraw/zinc/38/37/86/602383786.db2.gz IKACWTGAXXLZFQ-UHFFFAOYSA-N -2 0 317.388 1.998 20 0 DDADRL C[C@H](CNC(=O)[O-])N(C)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000824967333 603546713 /nfs/dbraw/zinc/54/67/13/603546713.db2.gz QMBQFISZTHZYNI-SNVBAGLBSA-N -2 0 318.333 1.306 20 0 DDADRL CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000824176447 605272780 /nfs/dbraw/zinc/27/27/80/605272780.db2.gz LRTDTRGZRJCWHA-WDEREUQCSA-N -2 0 320.411 1.257 20 0 DDADRL O=C([O-])N[C@H](C(=O)[N-]OCc1cccnc1)c1ccccc1 ZINC000834256325 605665158 /nfs/dbraw/zinc/66/51/58/605665158.db2.gz LJDWIJWJNKHHJJ-ZDUSSCGKSA-N -2 0 301.302 1.638 20 0 DDADRL O=C([O-])NCCCC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000834230425 606048943 /nfs/dbraw/zinc/04/89/43/606048943.db2.gz USXVMEBEOKXYSP-NSHDSACASA-N -2 0 316.260 1.255 20 0 DDADRL O=C([O-])CC1(NC(=O)Cc2ccc(NC(=O)[O-])cc2)CCC1 ZINC000834061203 606052810 /nfs/dbraw/zinc/05/28/10/606052810.db2.gz QGYFQCFKSOIXQP-UHFFFAOYSA-N -2 0 306.318 1.833 20 0 DDADRL COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000833882972 606069522 /nfs/dbraw/zinc/06/95/22/606069522.db2.gz SBBPHEAKCGVMJM-HNNXBMFYSA-N -2 0 324.333 1.064 20 0 DDADRL O=C([O-])N[C@H](CCC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000834138342 606112843 /nfs/dbraw/zinc/11/28/43/606112843.db2.gz UCIRUMJLZMGWSB-CHWSQXEVSA-N -2 0 320.345 1.709 20 0 DDADRL CCCC[C@H](NC(=O)c1nnc2ccccc2c1O)C(=O)[O-] ZINC000184984573 697511459 /nfs/dbraw/zinc/51/14/59/697511459.db2.gz LSHKJVLVULCILV-NSHDSACASA-N -2 0 303.318 1.296 20 0 DDADRL O=C([O-])c1ncccc1NC(=O)C(=O)[N-]OC1CCCCC1 ZINC000850786026 703752899 /nfs/dbraw/zinc/75/28/99/703752899.db2.gz DJDOTHGWJVTIQS-UHFFFAOYSA-N -2 0 307.306 1.099 20 0 DDADRL C[C@H]([N-]C(=O)C(F)(F)F)[C@H](C)C(=O)Nc1ncccc1O ZINC000854455643 704399981 /nfs/dbraw/zinc/39/99/81/704399981.db2.gz PVMXZVOQNLCDHF-BQBZGAKWSA-N -2 0 305.256 1.429 20 0 DDADRL O=c1[n-]c(CSc2cccc(Cl)c2-c2nn[nH]n2)n[nH]1 ZINC000826501733 705805185 /nfs/dbraw/zinc/80/51/85/705805185.db2.gz FKMSCQJXTIUBRS-UHFFFAOYSA-N -2 0 309.742 1.636 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C2(CC(=O)[O-])CCC2)cc1 ZINC000863952289 706044821 /nfs/dbraw/zinc/04/48/21/706044821.db2.gz QXOYUUCDPXYPAX-UHFFFAOYSA-N -2 0 311.359 1.445 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])CC2(C)C)s1 ZINC000863953000 706045066 /nfs/dbraw/zinc/04/50/66/706045066.db2.gz LTGNFLGBTAQNKI-LBPRGKRZSA-N -2 0 317.388 1.362 20 0 DDADRL Cc1cc(C)c(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])s1 ZINC000863963613 706047485 /nfs/dbraw/zinc/04/74/85/706047485.db2.gz BZNTYRIZNRHEGK-UHFFFAOYSA-N -2 0 305.377 1.281 20 0 DDADRL CCOC[C@@H](C(=O)[O-])N(C)C(=O)NCc1ccc(O)c(F)c1 ZINC000909050113 712926058 /nfs/dbraw/zinc/92/60/58/712926058.db2.gz XGHXGWIMVUOJLJ-NSHDSACASA-N -2 0 314.313 1.162 20 0 DDADRL CCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000899567669 709115008 /nfs/dbraw/zinc/11/50/08/709115008.db2.gz YHFUHRXSCOCWLQ-ZETCQYMHSA-N -2 0 307.755 1.529 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(F)cc(F)c2)C1 ZINC000910184975 709801716 /nfs/dbraw/zinc/80/17/16/709801716.db2.gz HKMYQUZEVSLUFD-CPCISQLKSA-N -2 0 313.256 1.355 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2CCCCS2)C1 ZINC000910185835 709802030 /nfs/dbraw/zinc/80/20/30/709802030.db2.gz YXJYFQVWPHYVIT-BBBLOLIVSA-N -2 0 301.364 1.049 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccccc1Cl ZINC000910186398 709802323 /nfs/dbraw/zinc/80/23/23/709802323.db2.gz QEVJHIJVCGIEBI-GZMMTYOYSA-N -2 0 311.721 1.730 20 0 DDADRL COCCOCc1cc(=O)n(-c2ccc(C(=O)[O-])cc2OC)[n-]1 ZINC000905020090 711911028 /nfs/dbraw/zinc/91/10/28/711911028.db2.gz YAWZIABWLCNNRO-UHFFFAOYSA-N -2 0 322.317 1.149 20 0 DDADRL CO[C@@H](CS(=O)(=O)[N-]CC(F)(F)C(=O)[O-])c1ccccc1 ZINC000906000398 712216662 /nfs/dbraw/zinc/21/66/62/712216662.db2.gz WQORWVXZOAGKKK-JTQLQIEISA-N -2 0 323.317 1.013 20 0 DDADRL O=C([O-])[C@H]1CSCN1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000906787992 712411798 /nfs/dbraw/zinc/41/17/98/712411798.db2.gz IQRLQJPUDVCHEE-SSDOTTSWSA-N -2 0 323.779 1.194 20 0 DDADRL CC(C)CN(CC(=O)[O-])S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000906789967 712412103 /nfs/dbraw/zinc/41/21/03/712412103.db2.gz ZGKWFNSJSLOSNW-UHFFFAOYSA-N -2 0 321.782 1.777 20 0 DDADRL CCC[C@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906821412 712417768 /nfs/dbraw/zinc/41/77/68/712417768.db2.gz UWQFLAAZTHTMAR-VIFPVBQESA-N -2 0 301.364 1.900 20 0 DDADRL COc1cc(C(=O)N2CCC(C(=O)[O-])CC2)cc(Cl)c1O ZINC000908587810 712815828 /nfs/dbraw/zinc/81/58/28/712815828.db2.gz AFTXGPCVDNYRHH-UHFFFAOYSA-N -2 0 313.737 1.991 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])[C@@H]1C[C@H]1c1ccccc1F ZINC001182284095 743551936 /nfs/dbraw/zinc/55/19/36/743551936.db2.gz CFCQBUNZVSJSCG-VHSXEESVSA-N -2 0 303.226 1.155 20 0 DDADRL Cc1cncc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n1 ZINC001184652660 744078766 /nfs/dbraw/zinc/07/87/66/744078766.db2.gz DXCZYWLENZFSEX-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2nnco2)c1 ZINC001187540052 744577456 /nfs/dbraw/zinc/57/74/56/744577456.db2.gz IUOKQDLHVCIBFG-UHFFFAOYSA-N -2 0 303.683 1.222 20 0 DDADRL CCS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)C2CCC2)c1 ZINC001188097488 744659480 /nfs/dbraw/zinc/65/94/80/744659480.db2.gz LUIHYMUVWXVSTL-UHFFFAOYSA-N -2 0 319.404 1.480 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])Nc1cccc(Cl)c1F ZINC001188416683 744701629 /nfs/dbraw/zinc/70/16/29/744701629.db2.gz QTPOBBKYCIXLRT-UHFFFAOYSA-N -2 0 312.621 1.710 20 0 DDADRL CC(C)(C)c1cccc(C(=O)NCCOP(=O)([O-])[O-])c1 ZINC001188984983 744803820 /nfs/dbraw/zinc/80/38/20/744803820.db2.gz SWOPCRRHDLMTCH-UHFFFAOYSA-N -2 0 301.279 1.823 20 0 DDADRL COc1c(C)cc(C(=O)NCCOP(=O)([O-])[O-])cc1C ZINC001191078897 745418882 /nfs/dbraw/zinc/41/88/82/745418882.db2.gz MQMRNCNUOGQLEU-UHFFFAOYSA-N -2 0 303.251 1.151 20 0 DDADRL O=P([O-])([O-])OCCNC(=S)Nc1ccc(F)cc1F ZINC001200935506 748376641 /nfs/dbraw/zinc/37/66/41/748376641.db2.gz BJXUDXQVTRCBTP-UHFFFAOYSA-N -2 0 312.234 1.361 20 0 DDADRL O=P([O-])([O-])OCCNc1cc(F)cc(N2CCOCC2)c1 ZINC001168592175 751225191 /nfs/dbraw/zinc/22/51/91/751225191.db2.gz LLVJCKUUDQRZNO-UHFFFAOYSA-N -2 0 320.257 1.184 20 0 DDADRL Cc1cc(C(F)(F)F)ncc1NCCOP(=O)([O-])[O-] ZINC001168592150 751226292 /nfs/dbraw/zinc/22/62/92/751226292.db2.gz KHDXKRKIFQBQGV-UHFFFAOYSA-N -2 0 300.173 1.930 20 0 DDADRL O=C1CC[C@@H](c2ccc(NCCOP(=O)([O-])[O-])cc2)N1 ZINC001168595417 751264885 /nfs/dbraw/zinc/26/48/85/751264885.db2.gz KVRHHZSJNMHYJS-NSHDSACASA-N -2 0 300.251 1.159 20 0 DDADRL CN=c1c(N)c(Cl)ncn1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238789 778088827 /nfs/dbraw/zinc/08/88/27/778088827.db2.gz LPIWOBFVNZYQCM-UHFFFAOYSA-N -2 0 322.708 1.035 20 0 DDADRL COC(=O)Cn1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001176239824 778089629 /nfs/dbraw/zinc/08/96/29/778089629.db2.gz SDUUKWYKWTUCLY-UHFFFAOYSA-N -2 0 319.273 1.196 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1csc2c1CCCC2 ZINC001150985848 862563575 /nfs/dbraw/zinc/56/35/75/862563575.db2.gz KNDXQVLJQWADNU-UHFFFAOYSA-N -2 0 305.292 1.466 20 0 DDADRL O=S(=O)([O-])c1ccc([O-])c(-c2nc(-c3ccccn3)no2)c1 ZINC001215453980 876715120 /nfs/dbraw/zinc/71/51/20/876715120.db2.gz BYYSNMZYGZZFKT-UHFFFAOYSA-N -2 0 319.298 1.751 20 0 DDADRL CC1=C(Oc2ccc(OP(=O)([O-])[O-])cc2)C(=O)O[C@H]1C ZINC001234331139 887868160 /nfs/dbraw/zinc/86/81/60/887868160.db2.gz CHMRWGKVKYILKS-QMMMGPOBSA-N -2 0 300.203 1.756 20 0 DDADRL O=C([O-])Cc1ccc(-c2ccc3c(c2)S(=O)(=O)[N-]C3=O)cc1 ZINC001240975659 891107425 /nfs/dbraw/zinc/10/74/25/891107425.db2.gz WDZBSZHOMSKGHT-UHFFFAOYSA-N -2 0 317.322 1.413 20 0 DDADRL O=C([O-])c1cccc(-c2ccc3c(c2)S(=O)(=O)[N-]C3=O)c1 ZINC001241359328 891151687 /nfs/dbraw/zinc/15/16/87/891151687.db2.gz XVKNGZZLFIYRDR-UHFFFAOYSA-N -2 0 303.295 1.484 20 0 DDADRL COC(=O)c1nccnc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242159968 891354709 /nfs/dbraw/zinc/35/47/09/891354709.db2.gz ZLALUNUVPQAVSE-UHFFFAOYSA-N -2 0 302.242 1.327 20 0 DDADRL NC(=O)c1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1F ZINC001242163329 891355616 /nfs/dbraw/zinc/35/56/16/891355616.db2.gz UIDGNONXTZEUOL-UHFFFAOYSA-N -2 0 303.245 1.988 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc(F)cn3ncnc23)c1 ZINC001242164748 891358084 /nfs/dbraw/zinc/35/80/84/891358084.db2.gz PYJLBVVPIIRPHC-UHFFFAOYSA-N -2 0 301.233 1.932 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cn(CC3CC3)c(=O)cn2)c1 ZINC001242163973 891358618 /nfs/dbraw/zinc/35/86/18/891358618.db2.gz VMASRHNMHXFFPU-UHFFFAOYSA-N -2 0 314.297 1.717 20 0 DDADRL Cc1cc(C(=O)[O-])ccc1-c1ccc2c(c1)C(=O)[N-]S2(=O)=O ZINC001243203609 891620174 /nfs/dbraw/zinc/62/01/74/891620174.db2.gz YNGSXVNEWBCROY-UHFFFAOYSA-N -2 0 317.322 1.792 20 0 DDADRL CSc1ccccc1[N-]C(=S)NCC[P@@](=O)([O-])O ZINC001249710109 894108730 /nfs/dbraw/zinc/10/87/30/894108730.db2.gz OPGXRUKUUDMMKW-UHFFFAOYSA-N -2 0 306.349 1.873 20 0 DDADRL Cc1cc(O)cnc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260392915 899133989 /nfs/dbraw/zinc/13/39/89/899133989.db2.gz FTJSEWGPOPUCDI-UHFFFAOYSA-N -2 0 324.314 1.300 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])cn1 ZINC000111278940 185572875 /nfs/dbraw/zinc/57/28/75/185572875.db2.gz BEONXJLMQHFQFK-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL O=C([O-])C1(CC(=O)N[N-]C(=O)c2ccccn2)CCCCCC1 ZINC000016482129 352161062 /nfs/dbraw/zinc/16/10/62/352161062.db2.gz MBTRYHLCKCJJKF-UHFFFAOYSA-N -2 0 319.361 1.658 20 0 DDADRL CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000360499031 306983954 /nfs/dbraw/zinc/98/39/54/306983954.db2.gz DYCOIQIOXNMDLN-UHFFFAOYSA-N -2 0 307.327 1.916 20 0 DDADRL C[C@@H]1CN(C(=O)NCc2ccc(C(=O)[O-])cc2)CC[C@H]1C(=O)[O-] ZINC000626766778 367734118 /nfs/dbraw/zinc/73/41/18/367734118.db2.gz QSQHNLOAXDZDKW-ZWNOBZJWSA-N -2 0 320.345 1.637 20 0 DDADRL CCCc1n[n-]c(=NC(=O)NC[C@H](CC(C)C)C(=O)[O-])s1 ZINC000424463419 284116404 /nfs/dbraw/zinc/11/64/04/284116404.db2.gz CEZKUTSNCBQUFC-VIFPVBQESA-N -2 0 314.411 1.781 20 0 DDADRL COc1cncc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c1 ZINC000337200155 249387214 /nfs/dbraw/zinc/38/72/14/249387214.db2.gz ZMILSJISVCKBEV-UHFFFAOYSA-N -2 0 322.342 1.518 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c[nH]1 ZINC000058263799 184095247 /nfs/dbraw/zinc/09/52/47/184095247.db2.gz CYWBTYGTZAXVKG-UHFFFAOYSA-N -2 0 310.287 1.212 20 0 DDADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000058615414 184125220 /nfs/dbraw/zinc/12/52/20/184125220.db2.gz JXTHMAXBLMLTQG-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL COCCOCCS(=O)(=O)[N-]c1cccc(Cl)c1[O-] ZINC000269967005 208019739 /nfs/dbraw/zinc/01/97/39/208019739.db2.gz NMGULIRGZFXZNO-UHFFFAOYSA-N -2 0 309.771 1.450 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c[nH]1 ZINC000037055416 406985721 /nfs/dbraw/zinc/98/57/21/406985721.db2.gz OVKWTVQRWYNAMY-UHFFFAOYSA-N -2 0 306.303 1.390 20 0 DDADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000349112573 409699956 /nfs/dbraw/zinc/69/99/56/409699956.db2.gz OPXWFEHQAWJYLS-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL COc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1O ZINC000351766971 410216725 /nfs/dbraw/zinc/21/67/25/410216725.db2.gz WXAIKPFTBXKBJH-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL Cc1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cn1 ZINC000384234985 418734132 /nfs/dbraw/zinc/73/41/32/418734132.db2.gz YVEOUHKSZDQCRQ-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccsc1 ZINC000547611733 421345990 /nfs/dbraw/zinc/34/59/90/421345990.db2.gz GUXZIIYEZCYIQV-FSPLSTOPSA-N -2 0 317.310 1.744 20 0 DDADRL O=C([O-])[C@@]1(CN=c2[n-]nc(C(F)(F)F)s2)CCCOC1 ZINC000630464426 422119885 /nfs/dbraw/zinc/11/98/85/422119885.db2.gz XFWZBNNBWUPLCC-SECBINFHSA-N -2 0 311.285 1.272 20 0 DDADRL C[C@H]1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)C[C@@H]1C(=O)[O-] ZINC000577610480 422391901 /nfs/dbraw/zinc/39/19/01/422391901.db2.gz JAIKLXKADVWPDV-XPUUQOCRSA-N -2 0 317.263 1.992 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC000653327447 423442090 /nfs/dbraw/zinc/44/20/90/423442090.db2.gz YPJLRJNSDRAZRI-GIFSMMMISA-N -2 0 317.341 1.917 20 0 DDADRL CC(C)C[C@H](CNC(=O)NCc1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC000644178075 423530536 /nfs/dbraw/zinc/53/05/36/423530536.db2.gz ZKZKNOPTRXJXLQ-CYBMUJFWSA-N -2 0 322.361 1.931 20 0 DDADRL O=C([O-])CCCCCNC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000665313669 424779951 /nfs/dbraw/zinc/77/99/51/424779951.db2.gz QJPBBACMDPGUDR-LLVKDONJSA-N -2 0 300.355 1.432 20 0 DDADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnn(C)c1 ZINC000547550768 303540718 /nfs/dbraw/zinc/54/07/18/303540718.db2.gz NUTZTWDUXRIXFC-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C ZINC000547558337 303541120 /nfs/dbraw/zinc/54/11/20/303541120.db2.gz XAYWYYFLSXFBFR-JGVFFNPUSA-N -2 0 319.345 1.994 20 0 DDADRL CN(CC(C)(C)C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000548876832 303595335 /nfs/dbraw/zinc/59/53/35/303595335.db2.gz SFPXVQNZALEJQD-UWVGGRQHSA-N -2 0 300.355 1.192 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2cc(F)c(C)cc2C(=O)[O-])c[nH]1 ZINC000547614706 307741132 /nfs/dbraw/zinc/74/11/32/307741132.db2.gz HXKAHZJUUVRTMU-UHFFFAOYSA-N -2 0 313.310 1.665 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000548576658 307776970 /nfs/dbraw/zinc/77/69/70/307776970.db2.gz QCCVCXKBWMDEHE-GWCFXTLKSA-N -2 0 321.395 1.004 20 0 DDADRL COCCc1nc(=N[C@H](C)c2ncc(C(=O)[O-])s2)s[n-]1 ZINC000583634303 336009109 /nfs/dbraw/zinc/00/91/09/336009109.db2.gz QOJLREPYKUUEPP-ZCFIWIBFSA-N -2 0 314.392 1.477 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)c2ccc(C(=O)[O-])cn2)CC1 ZINC000663129534 484691526 /nfs/dbraw/zinc/69/15/26/484691526.db2.gz VZIOGQZXZUJDAL-UHFFFAOYSA-N -2 0 306.318 1.497 20 0 DDADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)n1 ZINC000663139500 484698302 /nfs/dbraw/zinc/69/83/02/484698302.db2.gz HWCUQZHYUIBBCF-NSHDSACASA-N -2 0 323.349 1.532 20 0 DDADRL CC(C)C[C@@H](CNC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC000424421465 528320314 /nfs/dbraw/zinc/32/03/14/528320314.db2.gz DCFSDQYVKDGVDY-NSHDSACASA-N -2 0 300.355 1.240 20 0 DDADRL CC(C)C[C@H](CNC(=O)N=c1nc2ccccn2[n-]1)C(=O)[O-] ZINC000424385801 528525817 /nfs/dbraw/zinc/52/58/17/528525817.db2.gz USYNMRXZPDUNOL-SNVBAGLBSA-N -2 0 305.338 1.020 20 0 DDADRL CCC(CC)(CNC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC000424421866 528671834 /nfs/dbraw/zinc/67/18/34/528671834.db2.gz DTLAPOVEHPWKPP-QWRGUYRKSA-N -2 0 314.382 1.630 20 0 DDADRL O=C([O-])[C@H]1CCCN1C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000819236526 598208277 /nfs/dbraw/zinc/20/82/77/598208277.db2.gz AVYHAXILUFALGN-SNVBAGLBSA-N -2 0 319.342 1.313 20 0 DDADRL O=C([O-])Cn1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)n1 ZINC000739919131 599741707 /nfs/dbraw/zinc/74/17/07/599741707.db2.gz GUWODLOGUNQHDE-UHFFFAOYSA-N -2 0 312.285 1.062 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n(C)n1 ZINC000038058441 600052890 /nfs/dbraw/zinc/05/28/90/600052890.db2.gz QMMBWOKDWQZXLN-UHFFFAOYSA-N -2 0 301.349 1.289 20 0 DDADRL CC(C)=C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1(C)C ZINC000736343395 600463794 /nfs/dbraw/zinc/46/37/94/600463794.db2.gz BWBUTTUSJVGSLN-PWSUYJOCSA-N -2 0 317.407 1.536 20 0 DDADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000740248912 600577109 /nfs/dbraw/zinc/57/71/09/600577109.db2.gz KYCXGWYWNWXOAB-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2n[nH]c3ccccc32)c[nH]1 ZINC000833306436 601201311 /nfs/dbraw/zinc/20/13/11/601201311.db2.gz SNKZXAIARFOIBU-UHFFFAOYSA-N -2 0 306.303 1.390 20 0 DDADRL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000826008201 601206563 /nfs/dbraw/zinc/20/65/63/601206563.db2.gz GKQZSXDZFANYFC-VIFPVBQESA-N -2 0 311.359 1.377 20 0 DDADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c1 ZINC000826924596 601338564 /nfs/dbraw/zinc/33/85/64/601338564.db2.gz KSZYREZVAJLQIS-UHFFFAOYSA-N -2 0 324.362 1.433 20 0 DDADRL CSc1ccncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000832790102 601577370 /nfs/dbraw/zinc/57/73/70/601577370.db2.gz FWQADRQXAQFGLQ-UHFFFAOYSA-N -2 0 314.344 1.896 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)nc1Cl ZINC000759705716 601861275 /nfs/dbraw/zinc/86/12/75/601861275.db2.gz IRTPYJPAFGYJMD-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL O=C([O-])N1CC[C@H](CCNC(=O)c2c([O-])cc(F)cc2F)C1 ZINC000740425573 602461432 /nfs/dbraw/zinc/46/14/32/602461432.db2.gz DXVUYBXGUBHWQG-QMMMGPOBSA-N -2 0 314.288 1.790 20 0 DDADRL COCCO[N-]C(=O)[C@H](NC(=O)[O-])c1cccc(Cl)c1 ZINC000829007661 604086519 /nfs/dbraw/zinc/08/65/19/604086519.db2.gz LJINBIFWBZZVQR-SNVBAGLBSA-N -2 0 302.714 1.343 20 0 DDADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2ccsc2)cc1 ZINC000821544176 604412547 /nfs/dbraw/zinc/41/25/47/604412547.db2.gz HSJYVUFSQIYZKI-UHFFFAOYSA-N -2 0 311.340 1.565 20 0 DDADRL O=C([O-])C[C@H]1CCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000833210069 604668305 /nfs/dbraw/zinc/66/83/05/604668305.db2.gz DRVYQTPISWZENZ-GFCCVEGCSA-N -2 0 315.329 1.657 20 0 DDADRL Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cncc(C(=O)[O-])c1 ZINC000315675764 604827216 /nfs/dbraw/zinc/82/72/16/604827216.db2.gz VCMCDEGLPVKNLH-UHFFFAOYSA-N -2 0 317.326 1.761 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2c[nH]nc2C)cc1C(=O)[O-] ZINC000833734523 604947375 /nfs/dbraw/zinc/94/73/75/604947375.db2.gz KWXBLBDFIFHMTQ-UHFFFAOYSA-N -2 0 311.319 1.226 20 0 DDADRL C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)[N-]OCC(F)(F)F ZINC000826116385 605138173 /nfs/dbraw/zinc/13/81/73/605138173.db2.gz SDXRWOCVRRLNFG-PHDIDXHHSA-N -2 0 300.233 1.100 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)C2(NC(=O)[O-])CCCC2)C1 ZINC000834059930 605306825 /nfs/dbraw/zinc/30/68/25/605306825.db2.gz MBLHZBHDSQDMKP-NSHDSACASA-N -2 0 312.366 1.670 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)N[C@H](CC2CC2)C(=O)[O-])cc1 ZINC000834246591 605308542 /nfs/dbraw/zinc/30/85/42/605308542.db2.gz PCKOGBCLCCCACA-GFCCVEGCSA-N -2 0 306.318 1.437 20 0 DDADRL O=C([O-])N(CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)C1CC1 ZINC000834001867 605972693 /nfs/dbraw/zinc/97/26/93/605972693.db2.gz QNAWSYFIISNETK-UHFFFAOYSA-N -2 0 318.289 1.111 20 0 DDADRL O=C([O-])N[C@H]1CC[C@H](C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000834167109 606056920 /nfs/dbraw/zinc/05/69/20/606056920.db2.gz ADBFUERCVFQZEG-JQWIXIFHSA-N -2 0 306.318 1.437 20 0 DDADRL O=C([O-])C[C@@H](NC(=O)CCNC(=O)[O-])c1cccc(Cl)c1 ZINC000834060707 606069547 /nfs/dbraw/zinc/06/95/47/606069547.db2.gz JLJRRLORGBJCJF-SNVBAGLBSA-N -2 0 314.725 1.630 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2cncnc2)cc(C(=O)[O-])c1F ZINC000231773327 697787455 /nfs/dbraw/zinc/78/74/55/697787455.db2.gz NOEQULCKEXVQLO-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cc(Cl)ccc1F ZINC000739693165 699777629 /nfs/dbraw/zinc/77/76/29/699777629.db2.gz WKBUHNDKJDHMGP-UHFFFAOYSA-N -2 0 323.729 1.404 20 0 DDADRL CCC(C)(C)[C@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000843293370 702855390 /nfs/dbraw/zinc/85/53/90/702855390.db2.gz GFGWUPFJEZLDPU-RNFRBKRXSA-N -2 0 305.318 1.746 20 0 DDADRL CCc1ccccc1-n1cc([O-])c(C(=O)[N-]N2CCOC2=O)n1 ZINC000862704456 705781022 /nfs/dbraw/zinc/78/10/22/705781022.db2.gz LBGZGGNCFIWZKL-UHFFFAOYSA-N -2 0 316.317 1.237 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)cc1 ZINC000863951145 706044519 /nfs/dbraw/zinc/04/45/19/706044519.db2.gz AHCBMHALXWHZIX-UHFFFAOYSA-N -2 0 309.343 1.221 20 0 DDADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])s1 ZINC000863955862 706046075 /nfs/dbraw/zinc/04/60/75/706046075.db2.gz BJXPRXZPTPJMCC-UHFFFAOYSA-N -2 0 319.404 1.715 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)c(C)o1 ZINC000863957714 706046729 /nfs/dbraw/zinc/04/67/29/706046729.db2.gz FLFTZUYYZYRHAU-SNVBAGLBSA-N -2 0 317.363 1.448 20 0 DDADRL Cc1cccc(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)c1 ZINC000863960279 706047067 /nfs/dbraw/zinc/04/70/67/706047067.db2.gz ZFCXYTFPTSDFNQ-UHFFFAOYSA-N -2 0 323.370 1.362 20 0 DDADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000863964524 706047757 /nfs/dbraw/zinc/04/77/57/706047757.db2.gz VQZJTEDTWILQOJ-PUXPGTEJSA-N -2 0 315.391 1.122 20 0 DDADRL CO[C@H](C)[C@H](NS(=O)(=O)c1c(F)cc(C)cc1F)C(=O)[O-] ZINC000899933960 709242055 /nfs/dbraw/zinc/24/20/55/709242055.db2.gz AYKVPRWTJWVRJK-XCBNKYQSSA-N -2 0 323.317 1.040 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(CF)cc1 ZINC000910181818 709800644 /nfs/dbraw/zinc/80/06/44/709800644.db2.gz GERDWBMSZQLLGP-NWDGAFQWSA-N -2 0 309.293 1.546 20 0 DDADRL CC[C@@H]1CCCC[C@@H]1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910184016 709801392 /nfs/dbraw/zinc/80/13/92/709801392.db2.gz PBLRMGHJLAXQKA-NDBYEHHHSA-N -2 0 311.378 1.979 20 0 DDADRL O=C([O-])C[C@H]1CCCN(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000901451927 710043813 /nfs/dbraw/zinc/04/38/13/710043813.db2.gz BSDJFSNTGFTPPP-LLVKDONJSA-N -2 0 305.330 1.641 20 0 DDADRL CC(C)[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906828861 712418472 /nfs/dbraw/zinc/41/84/72/712418472.db2.gz PXOUBBPCXMVGFI-NSHDSACASA-N -2 0 313.375 1.900 20 0 DDADRL O=C(CCCc1ccc(Cl)cc1)NCCOP(=O)([O-])[O-] ZINC001181878468 743374791 /nfs/dbraw/zinc/37/47/91/743374791.db2.gz VDFAPEHMQPGDMT-UHFFFAOYSA-N -2 0 321.697 1.888 20 0 DDADRL CCn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC001185879340 744307406 /nfs/dbraw/zinc/30/74/06/744307406.db2.gz NOWMUKYKSQDOKS-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL Cc1nccnc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186143640 744350004 /nfs/dbraw/zinc/35/00/04/744350004.db2.gz OKJNYHLZCZJKHJ-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL Cc1cccc(C)c1NC(=S)NCCOP(=O)([O-])[O-] ZINC001198379286 747470604 /nfs/dbraw/zinc/47/06/04/747470604.db2.gz CBYNFLVGJMHQKW-UHFFFAOYSA-N -2 0 304.308 1.699 20 0 DDADRL Cn1ncc(Cl)c1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198740566 747585918 /nfs/dbraw/zinc/58/59/18/747585918.db2.gz JQIRNWBDOLQGOY-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(Cl)nc2ccccc21 ZINC001168585969 751176747 /nfs/dbraw/zinc/17/67/47/751176747.db2.gz BGMQIKZPUSKAAD-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL O=P([O-])([O-])OCCNc1ccc(F)c(-n2ccnc2)c1 ZINC001168595755 751270612 /nfs/dbraw/zinc/27/06/12/751270612.db2.gz MQRBDKHORLLNTL-UHFFFAOYSA-N -2 0 301.214 1.533 20 0 DDADRL CC(C)(C)OC(=O)c1ccnc(NCCOP(=O)([O-])[O-])c1 ZINC001157786844 766638129 /nfs/dbraw/zinc/63/81/29/766638129.db2.gz BYGXAHIEIOSNPH-UHFFFAOYSA-N -2 0 318.266 1.558 20 0 DDADRL COc1ccnc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c1 ZINC001148914728 773633218 /nfs/dbraw/zinc/63/32/18/773633218.db2.gz CZANPHCUKDJAOZ-UHFFFAOYSA-N -2 0 324.314 1.295 20 0 DDADRL Cc1c(Cl)cc(NC(=O)Cc2nnn[n-]2)c([O-])c1Cl ZINC001176844754 778299363 /nfs/dbraw/zinc/29/93/63/778299363.db2.gz JDQWTAGNDPBOPG-UHFFFAOYSA-N -2 0 302.121 1.702 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(Cl)nc2c1SCC2 ZINC001157787235 864137218 /nfs/dbraw/zinc/13/72/18/864137218.db2.gz FVDRLCXSADGCSH-UHFFFAOYSA-N -2 0 311.687 1.299 20 0 DDADRL CC[C@H](OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1ccccc1 ZINC001223704205 881067776 /nfs/dbraw/zinc/06/77/76/881067776.db2.gz FDODHUYJZCDMKP-GMXVVIOVSA-N -2 0 310.302 1.217 20 0 DDADRL O=C([O-])C[C@H](C(=O)Oc1cccc2sccc21)[C@@H](O)C(=O)[O-] ZINC001230214573 884377025 /nfs/dbraw/zinc/37/70/25/884377025.db2.gz UJJLWAXWHCNMCZ-QPUJVOFHSA-N -2 0 324.310 1.343 20 0 DDADRL CC1(C)COC(=O)[C@H]1Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234340674 887881548 /nfs/dbraw/zinc/88/15/48/887881548.db2.gz VPHWMGMHOJSTDL-SNVBAGLBSA-N -2 0 302.219 1.489 20 0 DDADRL CN(C)C(=O)c1cc(F)cc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001236511956 889244707 /nfs/dbraw/zinc/24/47/07/889244707.db2.gz AWIPTXJKUBRVDM-UHFFFAOYSA-N -2 0 323.260 1.998 20 0 DDADRL COc1ccc(-c2cccc(S(=O)(=O)[O-])n2)cc1C(=O)[O-] ZINC001241856534 891281636 /nfs/dbraw/zinc/28/16/36/891281636.db2.gz UDWNREUKIKSJKS-UHFFFAOYSA-N -2 0 309.299 1.702 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3c(n2)OCC(=O)N3)c1 ZINC001242159589 891354882 /nfs/dbraw/zinc/35/48/82/891354882.db2.gz TVLPVRMLJFLWDO-UHFFFAOYSA-N -2 0 314.253 1.476 20 0 DDADRL CN(C)c1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cn1 ZINC000443457273 529812226 /nfs/dbraw/zinc/81/22/26/529812226.db2.gz SHVOAMUABQICCC-UHFFFAOYSA-N -2 0 322.346 1.042 20 0 DDADRL CCC(C)(C)c1ccc(C(=O)N=c2ncn(CC(=O)[O-])[n-]2)cc1 ZINC000622043631 365209090 /nfs/dbraw/zinc/20/90/90/365209090.db2.gz GIKPYJUGXYKXNC-UHFFFAOYSA-N -2 0 316.361 1.725 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccccc1 ZINC000262366403 203276197 /nfs/dbraw/zinc/27/61/97/203276197.db2.gz DPEYQIBVNPOCRQ-APPZFPTMSA-N -2 0 311.281 1.683 20 0 DDADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnoc1C ZINC000433808007 533351831 /nfs/dbraw/zinc/35/18/31/533351831.db2.gz NORYPJYWJFFIOI-UHFFFAOYSA-N -2 0 312.303 1.491 20 0 DDADRL C[C@H]1CCN(C(=O)N=c2ccc(C3CC3)n[n-]2)C[C@H]1C(=O)[O-] ZINC000568884083 304319603 /nfs/dbraw/zinc/31/96/03/304319603.db2.gz GLXIEWSYVPQBOU-GXSJLCMTSA-N -2 0 304.350 1.350 20 0 DDADRL Cc1cc(C(=O)Nc2ccsc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000073771156 406893705 /nfs/dbraw/zinc/89/37/05/406893705.db2.gz WCICKTXCLVUCRX-UHFFFAOYSA-N -2 0 302.315 1.646 20 0 DDADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000091021784 407174884 /nfs/dbraw/zinc/17/48/84/407174884.db2.gz VVQPQPMZKHMCQW-UHFFFAOYSA-N -2 0 309.347 1.482 20 0 DDADRL Cc1cc(C(=O)N[C@@H](C)c2ccccc2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000151418459 408308369 /nfs/dbraw/zinc/30/83/69/408308369.db2.gz PIBHIKNPBJIRMU-JTQLQIEISA-N -2 0 324.340 1.823 20 0 DDADRL Cn1cnc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)c1 ZINC000270427910 408531435 /nfs/dbraw/zinc/53/14/35/408531435.db2.gz NGMDVXWCKAHSHR-UHFFFAOYSA-N -2 0 323.374 1.628 20 0 DDADRL C[C@H](NS(C)(=O)=O)c1nc(-c2ccc(O)c(F)c2)no1 ZINC000278102981 409066151 /nfs/dbraw/zinc/06/61/51/409066151.db2.gz IGUYXLCRTBDKCV-LURJTMIESA-N -2 0 301.299 1.192 20 0 DDADRL C[C@H]1CCc2sc(C(=O)N=c3ncn(CC(=O)[O-])[n-]3)cc2C1 ZINC000647780760 423044791 /nfs/dbraw/zinc/04/47/91/423044791.db2.gz MMQXHORRQBWMDF-QMMMGPOBSA-N -2 0 320.374 1.223 20 0 DDADRL N=c1[n-]nc(CNC(=O)c2cc(Cl)c3ccccc3c2[O-])o1 ZINC000436596738 420344192 /nfs/dbraw/zinc/34/41/92/420344192.db2.gz RDSWKBYKACAMLP-UHFFFAOYSA-N -2 0 318.720 1.924 20 0 DDADRL CC(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000563068565 421450289 /nfs/dbraw/zinc/45/02/89/421450289.db2.gz OASGGPNRRBYVNQ-SKDRFNHKSA-N -2 0 317.363 1.317 20 0 DDADRL O=C([O-])CN(CC1CC1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000653325096 423440389 /nfs/dbraw/zinc/44/03/89/423440389.db2.gz LWLONIXPFHEXCY-UHFFFAOYSA-N -2 0 315.329 1.515 20 0 DDADRL CO[C@@H](C)c1nc(=NC(=O)NC[C@@H](C(=O)[O-])C(C)C)s[n-]1 ZINC000653546147 423521535 /nfs/dbraw/zinc/52/15/35/423521535.db2.gz ZIPXPYQOYQLHBD-JGVFFNPUSA-N -2 0 316.383 1.146 20 0 DDADRL C[C@H](CNC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)C(=O)[O-] ZINC000655883026 424691019 /nfs/dbraw/zinc/69/10/19/424691019.db2.gz SPTDYBNSICMDQX-BMIGLBTASA-N -2 0 308.334 1.049 20 0 DDADRL Cc1ccc(-n2[n-]c(C(=O)N(C)CCC(=O)[O-])cc2=O)cc1 ZINC000262731994 301472185 /nfs/dbraw/zinc/47/21/85/301472185.db2.gz CCTNSQWVTDJHBK-UHFFFAOYSA-N -2 0 303.318 1.021 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)[O-] ZINC000547889031 303558250 /nfs/dbraw/zinc/55/82/50/303558250.db2.gz PEIPVXGLKAFLAV-BQBZGAKWSA-N -2 0 305.318 1.746 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C ZINC000547935653 303561957 /nfs/dbraw/zinc/56/19/57/303561957.db2.gz LTWJEOQFICOWKV-RQJHMYQMSA-N -2 0 305.318 1.746 20 0 DDADRL Cc1cc(NC(=O)c2cnc(C(=O)[O-])cn2)ccc1C(=O)[O-] ZINC000548963503 303600385 /nfs/dbraw/zinc/60/03/85/303600385.db2.gz KUWJEPBYBKSYBW-UHFFFAOYSA-N -2 0 301.258 1.434 20 0 DDADRL C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000663057271 484633255 /nfs/dbraw/zinc/63/32/55/484633255.db2.gz QWAIRYCLHCUCBS-PWSUYJOCSA-N -2 0 321.329 1.475 20 0 DDADRL C[C@](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)(C(=O)[O-])c1ccccc1 ZINC000663141196 484699053 /nfs/dbraw/zinc/69/90/53/484699053.db2.gz KSHAWEMREWGGRT-OHUAYANFSA-N -2 0 305.330 1.604 20 0 DDADRL CC=CCS(=O)(=O)C(C)=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736833888 599885279 /nfs/dbraw/zinc/88/52/79/599885279.db2.gz FXYOKHRVDJGSDW-BRAIEQGRSA-N -2 0 313.375 1.892 20 0 DDADRL CC1=C(C(=O)[O-])[C@@H](c2cccc(O[C@@H](C)C(=O)[O-])c2)NC(=O)N1 ZINC000736751474 599986899 /nfs/dbraw/zinc/98/68/99/599986899.db2.gz QPKRNUBVQJAZBS-QPUJVOFHSA-N -2 0 320.301 1.251 20 0 DDADRL Cc1noc(C)c1S(=O)(=O)[N-]c1nc(C)c(C(=O)[O-])s1 ZINC000738363167 600054612 /nfs/dbraw/zinc/05/46/12/600054612.db2.gz FANDOUSSPWSTIS-UHFFFAOYSA-N -2 0 317.348 1.555 20 0 DDADRL CCn1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cn1 ZINC000737303196 600095988 /nfs/dbraw/zinc/09/59/88/600095988.db2.gz SSLKDYUHLSZAGM-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL O=C([O-])[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2[O-])CCO1 ZINC000738546900 600102609 /nfs/dbraw/zinc/10/26/09/600102609.db2.gz FCJXHVVNYJWIGE-QMMMGPOBSA-N -2 0 320.128 1.625 20 0 DDADRL Cc1cc(F)cc(C(=O)[O-])c1NS(=O)(=O)CCCC(=O)[O-] ZINC000738396430 600246182 /nfs/dbraw/zinc/24/61/82/600246182.db2.gz GOASCJFOXRMDAS-UHFFFAOYSA-N -2 0 319.310 1.439 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n(C)n1 ZINC000737252667 600246745 /nfs/dbraw/zinc/24/67/45/600246745.db2.gz OLMOSBKLWCGGJL-UHFFFAOYSA-N -2 0 315.376 1.543 20 0 DDADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)C2CC=CC2)cc1 ZINC000740136802 600756613 /nfs/dbraw/zinc/75/66/13/600756613.db2.gz QFOHIVMOQBCWHH-UHFFFAOYSA-N -2 0 309.343 1.297 20 0 DDADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000391970669 600875090 /nfs/dbraw/zinc/87/50/90/600875090.db2.gz XTRQFQOLXVCPSK-GHMZBOCLSA-N -2 0 315.333 1.696 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cccc(F)c1Cl ZINC000833227845 600947545 /nfs/dbraw/zinc/94/75/45/600947545.db2.gz CXZKZCUEFLWQOA-UHFFFAOYSA-N -2 0 323.729 1.404 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc(C3CC3)s2)c[nH]1 ZINC000833306475 601502925 /nfs/dbraw/zinc/50/29/25/601502925.db2.gz WSQIROPIDMVJIN-UHFFFAOYSA-N -2 0 314.348 1.243 20 0 DDADRL C[C@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)C[C@@H]1C(=O)[O-] ZINC000828403309 601760665 /nfs/dbraw/zinc/76/06/65/601760665.db2.gz TZDQFKWBZHRRJA-CBAPKCEASA-N -2 0 306.343 1.909 20 0 DDADRL C[C@@H](CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)NC(=O)[O-] ZINC000824687096 602806624 /nfs/dbraw/zinc/80/66/24/602806624.db2.gz UUAXWCFYFJJOET-ZETCQYMHSA-N -2 0 306.278 1.015 20 0 DDADRL C[C@H](CNC(=O)[O-])N(C)C(=O)CSc1n[n-]c(=S)s1 ZINC000824958507 603489412 /nfs/dbraw/zinc/48/94/12/603489412.db2.gz ALLGIPWNKOPGQB-RXMQYKEDSA-N -2 0 322.437 1.033 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])nc2)c1 ZINC000827705853 603631322 /nfs/dbraw/zinc/63/13/22/603631322.db2.gz FFSLKQNIXMTGSC-UHFFFAOYSA-N -2 0 311.323 1.189 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CN(C)C(=O)[O-])s1 ZINC000830413983 604252147 /nfs/dbraw/zinc/25/21/47/604252147.db2.gz DXAKWYOVUKDFED-SSDOTTSWSA-N -2 0 320.392 1.107 20 0 DDADRL C[C@@H](CN(Cc1ccccc1)C(=O)CCNC(=O)[O-])C(=O)[O-] ZINC000824902982 605155332 /nfs/dbraw/zinc/15/53/32/605155332.db2.gz SGYKZBUNABPMJR-NSHDSACASA-N -2 0 308.334 1.394 20 0 DDADRL CCc1nc([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)no1 ZINC000833674409 605305559 /nfs/dbraw/zinc/30/55/59/605305559.db2.gz AYRHTTKUQYHYCD-UHFFFAOYSA-N -2 0 311.319 1.272 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(CNC(=O)[O-])o2)C1 ZINC000834060090 605307200 /nfs/dbraw/zinc/30/72/00/605307200.db2.gz NFOIWDIJWIQMAI-JTQLQIEISA-N -2 0 324.333 1.764 20 0 DDADRL COc1cc(O)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833729469 605597384 /nfs/dbraw/zinc/59/73/84/605597384.db2.gz SVMWWIUOWVSXEW-UHFFFAOYSA-N -2 0 324.314 1.295 20 0 DDADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])no1 ZINC000833548739 605904461 /nfs/dbraw/zinc/90/44/61/605904461.db2.gz LRGAUPDOCWZUGS-MRVPVSSYSA-N -2 0 324.314 1.194 20 0 DDADRL O=C([O-])Cc1csc(NC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])n1 ZINC000834069090 606028172 /nfs/dbraw/zinc/02/81/72/606028172.db2.gz PFXYYUAKWNLSEB-SFYZADRCSA-N -2 0 313.335 1.145 20 0 DDADRL O=C([O-])N[C@H](CCC(=O)N[C@H](C(=O)[O-])C1CC1)c1ccccc1 ZINC000834137742 606053052 /nfs/dbraw/zinc/05/30/52/606053052.db2.gz ONKOJXPHICNIDS-OCCSQVGLSA-N -2 0 320.345 1.755 20 0 DDADRL O=C([O-])C[C@@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)C1CC1 ZINC000834060149 606054024 /nfs/dbraw/zinc/05/40/24/606054024.db2.gz GNLMKMKXACIOFW-GFCCVEGCSA-N -2 0 306.318 1.437 20 0 DDADRL O=C([O-])[C@@H](CNC(=O)[C@H]1CCCN1C(=O)[O-])c1ccccc1 ZINC000834057527 606065022 /nfs/dbraw/zinc/06/50/22/606065022.db2.gz GAYWRTLMKZTZDO-NWDGAFQWSA-N -2 0 306.318 1.113 20 0 DDADRL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cn1 ZINC000035781129 696129445 /nfs/dbraw/zinc/12/94/45/696129445.db2.gz AWGOUKNHOGSLDR-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL O=C([O-])CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000263559149 698513340 /nfs/dbraw/zinc/51/33/40/698513340.db2.gz QFTHVISKOGCUKM-UHFFFAOYSA-N -2 0 313.253 1.164 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)s1 ZINC000725222406 699331612 /nfs/dbraw/zinc/33/16/12/699331612.db2.gz CBVKUWMVOLDXMT-UHFFFAOYSA-N -2 0 301.349 1.289 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)/C=C/c1ccccc1F ZINC000739696049 699777614 /nfs/dbraw/zinc/77/76/14/699777614.db2.gz YAEDQUPDZLQCMV-BQYQJAHWSA-N -2 0 315.322 1.150 20 0 DDADRL O=C([N-][C@H]1CC[C@H]([N-]C(=O)C(F)(F)F)CC1)C(F)(F)F ZINC000754243292 700491831 /nfs/dbraw/zinc/49/18/31/700491831.db2.gz QIGINHRJJGBUPX-IZLXSQMJSA-N -2 0 306.206 1.655 20 0 DDADRL CC(C)=CCSC[C@@H](NS(=O)(=O)C(F)F)C(=O)[O-] ZINC000817419463 702376626 /nfs/dbraw/zinc/37/66/26/702376626.db2.gz BAGJOZCBPUSFKZ-SSDOTTSWSA-N -2 0 303.352 1.281 20 0 DDADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC000842695019 702758016 /nfs/dbraw/zinc/75/80/16/702758016.db2.gz PMVGWTUARVVILH-GMTAPVOTSA-N -2 0 322.365 1.107 20 0 DDADRL C[C@@H](CSCC[N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000843299927 702856069 /nfs/dbraw/zinc/85/60/69/702856069.db2.gz ZSIOTJDKJYQHFB-BQBZGAKWSA-N -2 0 323.358 1.311 20 0 DDADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1)C1CC1 ZINC000863952769 706045133 /nfs/dbraw/zinc/04/51/33/706045133.db2.gz HBLCWVFWXDZTKC-IDVQTMNDSA-N -2 0 309.343 1.214 20 0 DDADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000863954051 706045564 /nfs/dbraw/zinc/04/55/64/706045564.db2.gz JWXLOGFRSKWEGE-SNVBAGLBSA-N -2 0 305.396 1.512 20 0 DDADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)c1 ZINC000863963767 706047296 /nfs/dbraw/zinc/04/72/96/706047296.db2.gz GUMKOKIFKGBERY-GBIKHYSHSA-N -2 0 323.370 1.633 20 0 DDADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)CCC1CCCCC1)C1CC1 ZINC000863963481 706047414 /nfs/dbraw/zinc/04/74/14/706047414.db2.gz YBDSOEYJHLWLMK-GFCCVEGCSA-N -2 0 317.407 1.514 20 0 DDADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)[C@H]2CC3CCC2CC3)CCC1 ZINC000863963689 706047435 /nfs/dbraw/zinc/04/74/35/706047435.db2.gz DVNIMFPWLDXCBY-ILDUYXDCSA-N -2 0 315.391 1.266 20 0 DDADRL C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc([O-])cc(F)c2)C1 ZINC000864495592 706181663 /nfs/dbraw/zinc/18/16/63/706181663.db2.gz JJAOBFTUINCHEF-LBPRGKRZSA-N -2 0 303.311 1.017 20 0 DDADRL CCc1ncc(S(=O)(=O)N[C@](C)(CC)CC(=O)[O-])s1 ZINC000829835030 706404512 /nfs/dbraw/zinc/40/45/12/706404512.db2.gz VPCFCWAIRQCYGK-LLVKDONJSA-N -2 0 306.409 1.627 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2CCC=CCCC2)C1 ZINC000910183741 709800993 /nfs/dbraw/zinc/80/09/93/709800993.db2.gz OCVZLJXLONFEMV-JHJVBQTASA-N -2 0 309.362 1.899 20 0 DDADRL COC[C@@]1(C(=O)[O-])CCN(c2nc(C)c(C(=O)[O-])s2)C1 ZINC000900964487 709851515 /nfs/dbraw/zinc/85/15/15/709851515.db2.gz HHROUTWBDLWWGJ-GFCCVEGCSA-N -2 0 300.336 1.077 20 0 DDADRL CN(C(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000905990172 712212480 /nfs/dbraw/zinc/21/24/80/712212480.db2.gz GLIKVXZMEDHWME-OAHLLOKOSA-N -2 0 324.308 1.633 20 0 DDADRL CN(C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000905991903 712213082 /nfs/dbraw/zinc/21/30/82/712213082.db2.gz UAJMJLWVCJFVCT-VXGBXAGGSA-N -2 0 324.308 1.489 20 0 DDADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N(CC(F)F)C2CC2)c1 ZINC000906854518 712422829 /nfs/dbraw/zinc/42/28/29/712422829.db2.gz OKUZZZBTTBMWGR-UHFFFAOYSA-N -2 0 321.301 1.509 20 0 DDADRL CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC000916110046 713442718 /nfs/dbraw/zinc/44/27/18/713442718.db2.gz AIHXOMIJUKLKCN-KCJUWKMLSA-N -2 0 315.347 1.162 20 0 DDADRL Cc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1 ZINC001185875443 744297984 /nfs/dbraw/zinc/29/79/84/744297984.db2.gz BKAQCOTXZMHKFW-UHFFFAOYSA-N -2 0 322.342 1.903 20 0 DDADRL Cn1cncc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188279695 744685974 /nfs/dbraw/zinc/68/59/74/744685974.db2.gz MIXMOJDRMZVTHS-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL CC(=O)CC(C)(C)NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189899110 745048417 /nfs/dbraw/zinc/04/84/17/745048417.db2.gz KRFAQCWVIDINPD-UHFFFAOYSA-N -2 0 315.262 1.646 20 0 DDADRL Cc1cnc(C)c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])n1 ZINC001198730271 747582514 /nfs/dbraw/zinc/58/25/14/747582514.db2.gz KCAWBCSRJROITF-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL COc1cc(F)cc2ccc(NCCOP(=O)([O-])[O-])nc21 ZINC001168587449 751187036 /nfs/dbraw/zinc/18/70/36/751187036.db2.gz QVDFKPPTRXUUJQ-UHFFFAOYSA-N -2 0 316.225 1.904 20 0 DDADRL O=C(N[C@@H]1SC(=O)[N-]C1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148811842 773608169 /nfs/dbraw/zinc/60/81/69/773608169.db2.gz OJIZRCPKLBVROS-SECBINFHSA-N -2 0 321.141 1.738 20 0 DDADRL Cc1cnc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])nc1C ZINC001148915180 773633344 /nfs/dbraw/zinc/63/33/44/773633344.db2.gz KKUVLRRDTYZSTD-UHFFFAOYSA-N -2 0 323.330 1.298 20 0 DDADRL O=C(Nc1cc(C2CC2)[nH]n1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148915197 773633357 /nfs/dbraw/zinc/63/33/57/773633357.db2.gz LBPHRAOGPCIYHC-UHFFFAOYSA-N -2 0 323.330 1.492 20 0 DDADRL Nc1ccc(N)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)c1 ZINC001174812654 777608456 /nfs/dbraw/zinc/60/84/56/777608456.db2.gz OAMAEVCDBCWTCJ-UHFFFAOYSA-N -2 0 313.360 1.412 20 0 DDADRL COC(=O)c1onc(C)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176240601 778091187 /nfs/dbraw/zinc/09/11/87/778091187.db2.gz YOZQXJHIWPNQRM-UHFFFAOYSA-N -2 0 320.257 1.910 20 0 DDADRL O=C([O-])C(F)(F)C(F)(F)C(=O)NCc1cnc2[nH]ccc2c1 ZINC001180176080 779635236 /nfs/dbraw/zinc/63/52/36/779635236.db2.gz KYFOBHMFSYDOOA-UHFFFAOYSA-N -2 0 319.214 1.534 20 0 DDADRL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-][C@H]1CCCc2nccnc21 ZINC001180176532 779636561 /nfs/dbraw/zinc/63/65/61/779636561.db2.gz FGBZURKBVUSXPI-ZETCQYMHSA-N -2 0 321.230 1.325 20 0 DDADRL CN(C)C(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1[O-] ZINC001252359761 851553499 /nfs/dbraw/zinc/55/34/99/851553499.db2.gz JQFNUZGMOLBQLV-UHFFFAOYSA-N -2 0 312.269 1.356 20 0 DDADRL O=[P@@]([O-])(O)CCOC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001224606787 881465360 /nfs/dbraw/zinc/46/53/60/881465360.db2.gz RTGDWPZEHRZIFO-AWEZNQCLSA-N -2 0 315.306 1.082 20 0 DDADRL O=P([O-])([O-])OCCNc1cnc2c(Cl)cccc2n1 ZINC001157786837 864138025 /nfs/dbraw/zinc/13/80/25/864138025.db2.gz BRFVRQGKPGNMGF-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL CSc1nc2ccccc2c(NCCOP(=O)([O-])[O-])n1 ZINC001157790670 864143733 /nfs/dbraw/zinc/14/37/33/864143733.db2.gz CRABLNMBDKVOEL-UHFFFAOYSA-N -2 0 315.291 1.873 20 0 DDADRL O=P([O-])([O-])OCCNc1ncc2c(n1)-c1ccccc1CC2 ZINC001157791412 864143819 /nfs/dbraw/zinc/14/38/19/864143819.db2.gz NBBCLTOUYXLOSX-UHFFFAOYSA-N -2 0 321.273 1.763 20 0 DDADRL Nc1c2c(OP(=O)([O-])[O-])c[nH]c2ccc1Br ZINC001161698509 866903470 /nfs/dbraw/zinc/90/34/70/866903470.db2.gz GEHJTGWIYDFMKP-UHFFFAOYSA-N -2 0 307.040 1.984 20 0 DDADRL Cc1cccc(Cl)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001226389010 882401984 /nfs/dbraw/zinc/40/19/84/882401984.db2.gz UBTVIWPQSLRTFG-XCBNKYQSSA-N -2 0 316.693 1.090 20 0 DDADRL O=C([O-])C[C@@H](C(=O)OCCCCc1ccccc1)[C@@H](O)C(=O)[O-] ZINC001209833639 875140073 /nfs/dbraw/zinc/14/00/73/875140073.db2.gz ROGSGOZSHLPAJH-TZMCWYRMSA-N -2 0 324.329 1.089 20 0 DDADRL CN1CCOc2cc(-c3c(C(=O)[O-])cccc3C(=O)[O-])cnc21 ZINC001239607729 890688760 /nfs/dbraw/zinc/68/87/60/890688760.db2.gz NOZKPGLBDFZNDD-UHFFFAOYSA-N -2 0 314.297 1.974 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc(-c3nn[nH]n3)c2)c1 ZINC001242162927 891355779 /nfs/dbraw/zinc/35/57/79/891355779.db2.gz MERFROXELFTZBE-UHFFFAOYSA-N -2 0 310.269 1.930 20 0 DDADRL CCNC(=O)c1cncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242162274 891356517 /nfs/dbraw/zinc/35/65/17/891356517.db2.gz SFNWXSLZRDKPFU-UHFFFAOYSA-N -2 0 314.297 1.895 20 0 DDADRL CC(=O)Nc1cncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242160898 891356539 /nfs/dbraw/zinc/35/65/39/891356539.db2.gz PUMAUNHAULOMQK-UHFFFAOYSA-N -2 0 301.258 1.498 20 0 DDADRL COC(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001242161461 891356574 /nfs/dbraw/zinc/35/65/74/891356574.db2.gz WTZGGUYSIMLJHX-UHFFFAOYSA-N -2 0 301.254 1.932 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cnc3c(c2)NC(=O)CO3)c1 ZINC001242162664 891356697 /nfs/dbraw/zinc/35/66/97/891356697.db2.gz ZSAGPHFCYFANPC-UHFFFAOYSA-N -2 0 314.253 1.476 20 0 DDADRL O=C([O-])Cc1cccc(-c2ccc3c(c2)C(=O)[N-]S3(=O)=O)c1 ZINC001242263720 891379967 /nfs/dbraw/zinc/37/99/67/891379967.db2.gz OGUDJTATWZRLIU-UHFFFAOYSA-N -2 0 317.322 1.413 20 0 DDADRL O=P([O-])([O-])c1ccc(-c2ccc(-n3ccnn3)cc2)cc1 ZINC001242417387 891422895 /nfs/dbraw/zinc/42/28/95/891422895.db2.gz ANLDJZNIRGFXIX-UHFFFAOYSA-N -2 0 301.242 1.737 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cncc(Cl)n2)c1 ZINC001260183244 899075745 /nfs/dbraw/zinc/07/57/45/899075745.db2.gz GAWRVGGKZYDHNY-UHFFFAOYSA-N -2 0 313.722 1.629 20 0 DDADRL COc1cncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001260183831 899076147 /nfs/dbraw/zinc/07/61/47/899076147.db2.gz CQVPVGDFDXVEEC-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL Cc1noc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1C ZINC000088245229 185243502 /nfs/dbraw/zinc/24/35/02/185243502.db2.gz RSKMAWXHXVMMNB-UHFFFAOYSA-N -2 0 314.294 1.930 20 0 DDADRL O=C(NCc1n[nH]c(=O)[n-]1)c1cc(Cl)c2ccccc2c1[O-] ZINC000080035440 353587980 /nfs/dbraw/zinc/58/79/80/353587980.db2.gz YEQAPUQDCWIVPR-UHFFFAOYSA-N -2 0 318.720 1.540 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc2n[nH]cc21 ZINC000346446615 283102454 /nfs/dbraw/zinc/10/24/54/283102454.db2.gz BFJUVQSKVFTWKE-UHFFFAOYSA-N -2 0 320.330 1.698 20 0 DDADRL O=C([O-])CSCC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000593924855 356064045 /nfs/dbraw/zinc/06/40/45/356064045.db2.gz ZPSPNQJLFABUON-WDEREUQCSA-N -2 0 309.343 1.234 20 0 DDADRL CCC(CC)(CNC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)C(=O)[O-] ZINC000626767889 367735016 /nfs/dbraw/zinc/73/50/16/367735016.db2.gz CBPZLNWMNRSHEE-QWRGUYRKSA-N -2 0 314.382 1.630 20 0 DDADRL CCc1ccc([N-]S(=O)(=O)c2cnn(CC)c2)c(C(=O)[O-])c1 ZINC000264933131 204280934 /nfs/dbraw/zinc/28/09/34/204280934.db2.gz YKSYCMBRBHHNIU-UHFFFAOYSA-N -2 0 323.374 1.964 20 0 DDADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)on1 ZINC000020560986 182232709 /nfs/dbraw/zinc/23/27/09/182232709.db2.gz JGNAFGNXNBQYHY-UHFFFAOYSA-N -2 0 312.303 1.491 20 0 DDADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000020552550 182231101 /nfs/dbraw/zinc/23/11/01/182231101.db2.gz HDGHSDJYGOGEMU-UHFFFAOYSA-N -2 0 312.303 1.496 20 0 DDADRL COc1cncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000337188938 249380419 /nfs/dbraw/zinc/38/04/19/249380419.db2.gz QVEWVZIZAOYQHN-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL COCc1n[n-]c(=N[C@H](C)c2ncc(C(=O)[O-])s2)s1 ZINC000568887924 304320190 /nfs/dbraw/zinc/32/01/90/304320190.db2.gz QKMPNZSIPLCTPP-RXMQYKEDSA-N -2 0 300.365 1.434 20 0 DDADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000125052429 407377358 /nfs/dbraw/zinc/37/73/58/407377358.db2.gz QBHHJFJDOFTQBS-UHFFFAOYSA-N -2 0 323.374 1.465 20 0 DDADRL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1F ZINC000136250871 408089271 /nfs/dbraw/zinc/08/92/71/408089271.db2.gz YOQDISFAJGDZIV-JTQLQIEISA-N -2 0 307.318 1.742 20 0 DDADRL O=C([O-])CSCCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000274948215 408572016 /nfs/dbraw/zinc/57/20/16/408572016.db2.gz GARXLGLGRBXHBI-UHFFFAOYSA-N -2 0 311.331 1.061 20 0 DDADRL COCC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000291808731 408927062 /nfs/dbraw/zinc/92/70/62/408927062.db2.gz BIKGAFLZRFEBEB-UHFFFAOYSA-N -2 0 319.354 1.475 20 0 DDADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1cc(F)ccc1O ZINC000277414991 408936714 /nfs/dbraw/zinc/93/67/14/408936714.db2.gz UIFMMTANBCUHFA-UHFFFAOYSA-N -2 0 308.231 1.927 20 0 DDADRL CCC[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1nnn[n-]1 ZINC000277863558 409025852 /nfs/dbraw/zinc/02/58/52/409025852.db2.gz BDGOKGGYEDYYLR-VIFPVBQESA-N -2 0 313.720 1.969 20 0 DDADRL CCCc1n[n-]c(=NC(=O)N2CCC[C@H](CC(=O)[O-])C2)s1 ZINC000571301003 304451681 /nfs/dbraw/zinc/45/16/81/304451681.db2.gz FELILBCGRYPWEJ-SECBINFHSA-N -2 0 312.395 1.631 20 0 DDADRL CCOC[C@H](NS(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000290444400 409404759 /nfs/dbraw/zinc/40/47/59/409404759.db2.gz CBNUALUGNZJHJK-LURJTMIESA-N -2 0 313.784 1.170 20 0 DDADRL CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000314532170 164015565 /nfs/dbraw/zinc/01/55/65/164015565.db2.gz HINRASMPSNCYDX-UHFFFAOYSA-N -2 0 324.358 1.923 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)oc32)c[nH]1 ZINC000357335548 164139911 /nfs/dbraw/zinc/13/99/11/164139911.db2.gz QYCHZAOKXVVHIF-UHFFFAOYSA-N -2 0 323.286 1.361 20 0 DDADRL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2c(F)cc(F)cc2F)CC1 ZINC000650426084 423153118 /nfs/dbraw/zinc/15/31/18/423153118.db2.gz APGMNEWAJXZINS-ZCFIWIBFSA-N -2 0 323.292 1.636 20 0 DDADRL CC(C)C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)C(=O)[O-] ZINC000572638247 421807989 /nfs/dbraw/zinc/80/79/89/421807989.db2.gz WVNMELAQDRSSGH-UTUOFQBUSA-N -2 0 314.382 1.486 20 0 DDADRL O=C([O-])[C@@]1(CN=c2[n-]nc(-c3ccccc3)s2)CCCOC1 ZINC000630462612 422117915 /nfs/dbraw/zinc/11/79/15/422117915.db2.gz CJFTYYZNQGEFFW-OAHLLOKOSA-N -2 0 319.386 1.920 20 0 DDADRL C[C@@H]1CCN(C(=O)NCc2cccc(C(=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000646162337 423375227 /nfs/dbraw/zinc/37/52/27/423375227.db2.gz UPTSBRBIKJWJOX-ZWNOBZJWSA-N -2 0 320.345 1.637 20 0 DDADRL CCC(CC)c1n[n-]c(=NC(=O)NC[C@@H](C)C(=O)[O-])s1 ZINC000653534769 423515706 /nfs/dbraw/zinc/51/57/06/423515706.db2.gz XGZAAUBONJRKOM-SSDOTTSWSA-N -2 0 300.384 1.706 20 0 DDADRL COCCc1nc(=NCc2ccc(OC)c(C(=O)[O-])c2)s[n-]1 ZINC000649400190 423857464 /nfs/dbraw/zinc/85/74/64/423857464.db2.gz JPAFPFJYZSFYKW-UHFFFAOYSA-N -2 0 323.374 1.468 20 0 DDADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000362303776 300047139 /nfs/dbraw/zinc/04/71/39/300047139.db2.gz BKHOXZDVVAXKGV-UHFFFAOYSA-N -2 0 314.294 1.930 20 0 DDADRL CCCSC[C@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000547905819 303559405 /nfs/dbraw/zinc/55/94/05/303559405.db2.gz GBUQRUDFSBMBOB-BQBZGAKWSA-N -2 0 323.358 1.453 20 0 DDADRL CCn1cncc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000548197577 303576912 /nfs/dbraw/zinc/57/69/12/303576912.db2.gz HYEBVSCFQXELTB-UHFFFAOYSA-N -2 0 311.319 1.108 20 0 DDADRL Cc1cscc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000395672686 307296292 /nfs/dbraw/zinc/29/62/92/307296292.db2.gz CLWRFDHHYZJOPK-UHFFFAOYSA-N -2 0 300.361 1.894 20 0 DDADRL Cc1c(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])cnn1C ZINC000427258322 307302976 /nfs/dbraw/zinc/30/29/76/307302976.db2.gz SFIOEGKJTYSVTR-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL CCCc1nc(=NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)s[n-]1 ZINC000580565193 308615057 /nfs/dbraw/zinc/61/50/57/308615057.db2.gz YHQMFPMIIURGFI-DTWKUNHWSA-N -2 0 312.395 1.487 20 0 DDADRL CCc1ccc(S(=O)(=O)[N-]c2ccn(CC)n2)cc1C(=O)[O-] ZINC000319037832 484396727 /nfs/dbraw/zinc/39/67/27/484396727.db2.gz KSZLFDVWJRGJKE-UHFFFAOYSA-N -2 0 323.374 1.964 20 0 DDADRL O=C([O-])CCCCC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000663149836 484705914 /nfs/dbraw/zinc/70/59/14/484705914.db2.gz ZYGLOLKGUWYUEJ-OAHLLOKOSA-N -2 0 305.330 1.842 20 0 DDADRL CC(C)(C)c1n[n-]c(=NC(=O)NCCC(C)(C)C(=O)[O-])s1 ZINC000424467088 526839623 /nfs/dbraw/zinc/83/96/23/526839623.db2.gz HLGZNXJKDPJZLV-UHFFFAOYSA-N -2 0 314.411 1.880 20 0 DDADRL Cc1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc(C)c1OCC(=O)[O-] ZINC000820954353 598201997 /nfs/dbraw/zinc/20/19/97/598201997.db2.gz YUCRMGPLZQBWOJ-GFCCVEGCSA-N -2 0 321.329 1.456 20 0 DDADRL CSc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)nc1 ZINC000738210966 600248227 /nfs/dbraw/zinc/24/82/27/600248227.db2.gz FEYSQXHVDMWUNL-UHFFFAOYSA-N -2 0 314.344 1.896 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(CC(F)F)c2)o1 ZINC000740186985 600254502 /nfs/dbraw/zinc/25/45/02/600254502.db2.gz AXBZBOGQBQCFLN-UHFFFAOYSA-N -2 0 321.261 1.240 20 0 DDADRL CN(Cc1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1)C(=O)[O-] ZINC000737486146 600300750 /nfs/dbraw/zinc/30/07/50/600300750.db2.gz PVTGPWXAIVMVDO-UHFFFAOYSA-N -2 0 310.335 1.320 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cccc2c1CCC2 ZINC000739691068 600460766 /nfs/dbraw/zinc/46/07/66/600460766.db2.gz DTHGSIJTTDSWRM-UHFFFAOYSA-N -2 0 311.359 1.100 20 0 DDADRL O=C([O-])[C@@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)CCO1 ZINC000769525022 600929016 /nfs/dbraw/zinc/92/90/16/600929016.db2.gz HTTLTDQINODYHI-JTQLQIEISA-N -2 0 308.315 1.042 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1 ZINC000833334472 601238990 /nfs/dbraw/zinc/23/89/90/601238990.db2.gz VXCINJZCXMJLEC-ITGUQSILSA-N -2 0 323.370 1.626 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1C(=O)[O-] ZINC000833051364 601783691 /nfs/dbraw/zinc/78/36/91/601783691.db2.gz VLURLQNXNIKIAT-UHFFFAOYSA-N -2 0 316.285 1.802 20 0 DDADRL Cc1oc(S(=O)(=O)[N-]c2ccc(F)cc2O)cc1C(=O)[O-] ZINC000833029765 602201783 /nfs/dbraw/zinc/20/17/83/602201783.db2.gz MBUHKWLPGFOILY-UHFFFAOYSA-N -2 0 315.278 1.932 20 0 DDADRL CCC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000739322223 602670149 /nfs/dbraw/zinc/67/01/49/602670149.db2.gz YNALGGAWLCECHL-NSHDSACASA-N -2 0 314.363 1.236 20 0 DDADRL CC(C)(CNS(=O)(=O)c1cc(F)ccc1F)NC(=O)[O-] ZINC000824011489 603471960 /nfs/dbraw/zinc/47/19/60/603471960.db2.gz PITPZZNDTBIFMH-UHFFFAOYSA-N -2 0 308.306 1.289 20 0 DDADRL O=C([O-])N1CC(NC(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000831610770 604762271 /nfs/dbraw/zinc/76/22/71/604762271.db2.gz SIYDDHVDFPDIFG-UHFFFAOYSA-N -2 0 305.117 1.791 20 0 DDADRL CC(C)(CCC(=O)[O-])NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000833457029 604880628 /nfs/dbraw/zinc/88/06/28/604880628.db2.gz NZKNONPTUOXGFH-UHFFFAOYSA-N -2 0 315.347 1.307 20 0 DDADRL CCc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)no1 ZINC000833674931 605305326 /nfs/dbraw/zinc/30/53/26/605305326.db2.gz HKHALNNSQNQLBD-UHFFFAOYSA-N -2 0 301.280 1.032 20 0 DDADRL CC(C)(C)n1cnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000833452277 605343145 /nfs/dbraw/zinc/34/31/45/605343145.db2.gz UKLHEQMTDFIFPZ-UHFFFAOYSA-N -2 0 324.362 1.532 20 0 DDADRL O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000831779110 605797525 /nfs/dbraw/zinc/79/75/25/605797525.db2.gz ZTIDGYJQYUKFHJ-CBAPKCEASA-N -2 0 323.330 1.168 20 0 DDADRL O=C([O-])[C@H]1CC12CCN(C(=O)[C@H]1CCCCN1C(=O)[O-])CC2 ZINC000834057853 606033654 /nfs/dbraw/zinc/03/36/54/606033654.db2.gz IEMPEGJBNFULRS-GHMZBOCLSA-N -2 0 310.350 1.232 20 0 DDADRL O=C([O-])/C=C\c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000834059469 606055266 /nfs/dbraw/zinc/05/52/66/606055266.db2.gz BUPZVEPQOKVCQO-JECSTDCCSA-N -2 0 304.302 1.865 20 0 DDADRL O=C([O-])N[C@H]1CCC[C@H]1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000834171830 606056357 /nfs/dbraw/zinc/05/63/57/606056357.db2.gz GSSBRQJYEFLBGE-KCJUWKMLSA-N -2 0 310.281 1.899 20 0 DDADRL O=C([O-])N[C@H](CCC(=O)NC1(C(=O)[O-])CCC1)c1ccccc1 ZINC000834136066 606068516 /nfs/dbraw/zinc/06/85/16/606068516.db2.gz BXJRDBVNTAVWBS-GFCCVEGCSA-N -2 0 320.345 1.899 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC000834166971 606068753 /nfs/dbraw/zinc/06/87/53/606068753.db2.gz ZAWABPVNDOVIFD-KBVBSXBZSA-N -2 0 324.308 1.504 20 0 DDADRL O=C([O-])Nc1cccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)c1 ZINC000834261950 606068774 /nfs/dbraw/zinc/06/87/74/606068774.db2.gz HDEYWOSLAHTQDH-CYBMUJFWSA-N -2 0 310.331 1.467 20 0 DDADRL O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)[O-])Cc2ccccc21 ZINC000834061755 606112865 /nfs/dbraw/zinc/11/28/65/606112865.db2.gz ZLJPHXNEFDMQSB-CHWSQXEVSA-N -2 0 318.329 1.339 20 0 DDADRL Cc1cccc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])c1Cl ZINC000863957757 706046582 /nfs/dbraw/zinc/04/65/82/706046582.db2.gz GYKAQGBUUOAHEN-UHFFFAOYSA-N -2 0 305.739 1.318 20 0 DDADRL CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000864494456 706181712 /nfs/dbraw/zinc/18/17/12/706181712.db2.gz HXTWLVCHUOBAPQ-QMMMGPOBSA-N -2 0 321.782 1.919 20 0 DDADRL O=C([O-])[C@H]1CCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])C1 ZINC000909420774 713013863 /nfs/dbraw/zinc/01/38/63/713013863.db2.gz HDOQXFQKIPWJAI-VIFPVBQESA-N -2 0 319.292 1.264 20 0 DDADRL O=C([O-])C[C@@]1(NC(=O)c2ccc([O-])c(Cl)c2)CCCOC1 ZINC000909695112 709582114 /nfs/dbraw/zinc/58/21/14/709582114.db2.gz WZRLLLHDGFSYHI-AWEZNQCLSA-N -2 0 313.737 1.799 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc(C3CC3)cc2)C1 ZINC000910185087 709801574 /nfs/dbraw/zinc/80/15/74/709801574.db2.gz YKRQZUJHIOOBSV-ZIAGYGMSSA-N -2 0 317.341 1.954 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCc2ccccc2)C1 ZINC000910186924 709802384 /nfs/dbraw/zinc/80/23/84/709802384.db2.gz XTUSRQOOESXOTH-OLZOCXBDSA-N -2 0 305.330 1.396 20 0 DDADRL Cc1ccc(F)c(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910186636 709802440 /nfs/dbraw/zinc/80/24/40/709802440.db2.gz UAHLLSNMKBJILZ-GWCFXTLKSA-N -2 0 323.320 1.453 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(Cl)cc1 ZINC000910187117 709802905 /nfs/dbraw/zinc/80/29/05/709802905.db2.gz ZUPMZBTWCVBQSA-GXSJLCMTSA-N -2 0 311.721 1.730 20 0 DDADRL CSc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC000910188567 709803779 /nfs/dbraw/zinc/80/37/79/709803779.db2.gz LZEOOGPXOGHXOM-CMPLNLGQSA-N -2 0 323.370 1.799 20 0 DDADRL C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccccc1F ZINC000910191135 709804957 /nfs/dbraw/zinc/80/49/57/709804957.db2.gz XUTINSPUQOAWSV-CWSCBRNRSA-N -2 0 323.320 1.706 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)/C=C/C2CCCCC2)C1 ZINC000910192445 709805769 /nfs/dbraw/zinc/80/57/69/709805769.db2.gz QHWSBLNGKSPVQS-BHAGLWOSSA-N -2 0 309.362 1.899 20 0 DDADRL COC[C@]1(C(=O)[O-])CCN(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000902305499 710707745 /nfs/dbraw/zinc/70/77/45/710707745.db2.gz IIUJKHDYPVGLQM-AWEZNQCLSA-N -2 0 315.272 1.234 20 0 DDADRL CN(C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000905991900 712213059 /nfs/dbraw/zinc/21/30/59/712213059.db2.gz UAJMJLWVCJFVCT-NEPJUHHUSA-N -2 0 324.308 1.489 20 0 DDADRL Cc1ccc(CS(=O)(=O)[N-]CC(F)(F)C(=O)[O-])cc1F ZINC000906000009 712216230 /nfs/dbraw/zinc/21/62/30/712216230.db2.gz RBZLMDXXPNXAHS-UHFFFAOYSA-N -2 0 311.281 1.273 20 0 DDADRL CCN(CCSC)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000907024687 712467778 /nfs/dbraw/zinc/46/77/78/712467778.db2.gz NVMVPJMVBDBKTI-UHFFFAOYSA-N -2 0 319.404 1.464 20 0 DDADRL O=C([O-])[C@]1(C(=O)[N-]OC[C@H]2CCOC2)C[C@@H]1c1ccccc1 ZINC000907851634 712635753 /nfs/dbraw/zinc/63/57/53/712635753.db2.gz UBZGBRFYHFXZNJ-NORZTCDRSA-N -2 0 305.330 1.329 20 0 DDADRL CCN(CCC(=O)[O-])C(=O)c1cc(Cl)c(O)c(OC)c1 ZINC000908857347 712870605 /nfs/dbraw/zinc/87/06/05/712870605.db2.gz DAWCFMMOZHGIKP-UHFFFAOYSA-N -2 0 301.726 1.991 20 0 DDADRL CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC000916110045 713442862 /nfs/dbraw/zinc/44/28/62/713442862.db2.gz AIHXOMIJUKLKCN-GZMMTYOYSA-N -2 0 315.347 1.162 20 0 DDADRL C[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000921206855 713721233 /nfs/dbraw/zinc/72/12/33/713721233.db2.gz ORKYELRVHIIRNG-LURJTMIESA-N -2 0 321.738 1.180 20 0 DDADRL O=C([O-])C1(C[N-]S(=O)(=O)c2occc2Br)CC1 ZINC000926479690 715074441 /nfs/dbraw/zinc/07/44/41/715074441.db2.gz MEQHZMFYZXHDGS-UHFFFAOYSA-N -2 0 324.152 1.185 20 0 DDADRL Cc1nocc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186143729 744350098 /nfs/dbraw/zinc/35/00/98/744350098.db2.gz HSBNOIKSFBWCOP-UHFFFAOYSA-N -2 0 300.267 1.621 20 0 DDADRL Cc1ccnnc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186151053 744351323 /nfs/dbraw/zinc/35/13/23/744351323.db2.gz QYAWXZBLBJWIIO-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL Cc1nonc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192106597 745692250 /nfs/dbraw/zinc/69/22/50/745692250.db2.gz KBOZXOLVVGFOOX-UHFFFAOYSA-N -2 0 311.319 1.196 20 0 DDADRL Cn1ccnc1S(=O)(=O)[N-]c1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001193611368 746148599 /nfs/dbraw/zinc/14/85/99/746148599.db2.gz KZEVYODBNWKKRR-UHFFFAOYSA-N -2 0 319.346 1.112 20 0 DDADRL [CH2]CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC001196059540 746763768 /nfs/dbraw/zinc/76/37/68/746763768.db2.gz GOAJKYSQNGLQQJ-UHFFFAOYSA-N -2 0 321.172 1.650 20 0 DDADRL O=C(NCCCC[P@](=O)([O-])O)c1ccc(OC(F)F)cn1 ZINC001197931381 747312637 /nfs/dbraw/zinc/31/26/37/747312637.db2.gz FFXZGHSRRKMKCU-UHFFFAOYSA-N -2 0 324.220 1.371 20 0 DDADRL O=P([O-])([O-])OCCNC(=S)Nc1cccc(Cl)c1 ZINC001201106967 748411877 /nfs/dbraw/zinc/41/18/77/748411877.db2.gz IKNNHOSNJGYLFC-UHFFFAOYSA-N -2 0 310.699 1.736 20 0 DDADRL CCOc1ccccc1NC(=O)NCCOP(=O)([O-])[O-] ZINC001202149923 748698111 /nfs/dbraw/zinc/69/81/11/748698111.db2.gz VIAVKFWNJBGKHT-UHFFFAOYSA-N -2 0 304.239 1.316 20 0 DDADRL CN(C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])c1ccccc1N ZINC001148926712 773652161 /nfs/dbraw/zinc/65/21/61/773652161.db2.gz SNNJVZSEHRJGQM-UHFFFAOYSA-N -2 0 322.342 1.498 20 0 DDADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)CCC1 ZINC001118913013 781271006 /nfs/dbraw/zinc/27/10/06/781271006.db2.gz CKAVFTKGVVGDMS-UHFFFAOYSA-N -2 0 317.750 1.400 20 0 DDADRL COC(=O)c1cnc(Cl)cc1NCCOP(=O)([O-])[O-] ZINC001157787427 864140212 /nfs/dbraw/zinc/14/02/12/864140212.db2.gz HCNZAKIYUCLYMY-UHFFFAOYSA-N -2 0 310.630 1.043 20 0 DDADRL CCc1nc2sccc2c(NCCOP(=O)([O-])[O-])n1 ZINC001157796189 864149573 /nfs/dbraw/zinc/14/95/73/864149573.db2.gz ZMXFSGGQYHVUKZ-UHFFFAOYSA-N -2 0 303.280 1.775 20 0 DDADRL CCc1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])ccc1Cl ZINC001225317103 881776785 /nfs/dbraw/zinc/77/67/85/881776785.db2.gz TTYXAGVTUBFHGG-SNVBAGLBSA-N -2 0 324.653 1.278 20 0 DDADRL CC[C@H](C)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1 ZINC001227330773 882972631 /nfs/dbraw/zinc/97/26/31/882972631.db2.gz RJXBVMJQCKICPK-JOYOIKCWSA-N -2 0 318.262 1.576 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncc(F)c2)ccc1F ZINC000314182980 878619299 /nfs/dbraw/zinc/61/92/99/878619299.db2.gz JSRZDDKQAINMLE-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL Cn1c(=O)ccc2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)nc21 ZINC001242158938 891353925 /nfs/dbraw/zinc/35/39/25/891353925.db2.gz DIGVKFLCLKANFE-UHFFFAOYSA-N -2 0 324.292 1.997 20 0 DDADRL CCOC(=O)c1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ncn1 ZINC001242159668 891353989 /nfs/dbraw/zinc/35/39/89/891353989.db2.gz PWMMNJDFDLMORD-UHFFFAOYSA-N -2 0 316.269 1.717 20 0 DDADRL COc1ncnc(OC)c1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242162058 891355570 /nfs/dbraw/zinc/35/55/70/891355570.db2.gz BMQNVEUVVOPKRV-UHFFFAOYSA-N -2 0 304.258 1.557 20 0 DDADRL NC(=O)c1c(F)cncc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242163496 891356458 /nfs/dbraw/zinc/35/64/58/891356458.db2.gz XRNCHFXGXXOVER-UHFFFAOYSA-N -2 0 304.233 1.383 20 0 DDADRL COC(=O)Cc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccn1 ZINC001242162637 891356969 /nfs/dbraw/zinc/35/69/69/891356969.db2.gz ICFLGDWMZSYPPT-UHFFFAOYSA-N -2 0 315.281 1.861 20 0 DDADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(F)ccn2)c1 ZINC001260209163 899091391 /nfs/dbraw/zinc/09/13/91/899091391.db2.gz KRPSITWTIWIMHS-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ncccc2O)c1 ZINC001260208940 899091925 /nfs/dbraw/zinc/09/19/25/899091925.db2.gz CNXAYLCGDPMANR-UHFFFAOYSA-N -2 0 312.278 1.425 20 0 DDADRL C[C@H]1CN(C(=O)NCc2ccc(C(=O)[O-])cc2)CC[C@@H]1C(=O)[O-] ZINC000626766775 367734404 /nfs/dbraw/zinc/73/44/04/367734404.db2.gz QSQHNLOAXDZDKW-GWCFXTLKSA-N -2 0 320.345 1.637 20 0 DDADRL O=C([O-])CC1(NS(=O)(=O)c2cc(F)cc(F)c2)CCC1 ZINC000094291121 193355865 /nfs/dbraw/zinc/35/58/65/193355865.db2.gz OUMLDYOIQSQPDV-UHFFFAOYSA-N -2 0 305.302 1.641 20 0 DDADRL CC(C)n1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cn1 ZINC000350728651 284250119 /nfs/dbraw/zinc/25/01/19/284250119.db2.gz DPDQNKJOGUSFKN-UHFFFAOYSA-N -2 0 309.347 1.963 20 0 DDADRL O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282919742 217325449 /nfs/dbraw/zinc/32/54/49/217325449.db2.gz NSXSUYKNZBFINQ-ZETCQYMHSA-N -2 0 324.287 1.102 20 0 DDADRL Cc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1 ZINC000021057162 182263743 /nfs/dbraw/zinc/26/37/43/182263743.db2.gz LYLYCOPJLGIXEI-UHFFFAOYSA-N -2 0 301.349 1.289 20 0 DDADRL CCN(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)c1ccccc1 ZINC000151545893 248295050 /nfs/dbraw/zinc/29/50/50/248295050.db2.gz JVQJOFCPSLYJRN-UHFFFAOYSA-N -2 0 324.340 1.999 20 0 DDADRL COc1cncc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c1 ZINC000337188335 249380663 /nfs/dbraw/zinc/38/06/63/249380663.db2.gz QHFHVENYJURYNP-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL O=C([O-])C[C@H]1CCCN(C(=O)N=c2ccc(C3CC3)n[n-]2)C1 ZINC000567477892 304222782 /nfs/dbraw/zinc/22/27/82/304222782.db2.gz MBKRGTXAILCCHN-SNVBAGLBSA-N -2 0 304.350 1.495 20 0 DDADRL Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc1C(=O)[O-] ZINC000013027312 406858503 /nfs/dbraw/zinc/85/85/03/406858503.db2.gz QRIIMEUPUIGYBM-NSHDSACASA-N -2 0 315.347 1.081 20 0 DDADRL CC(C)n1cnc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000261614110 407554911 /nfs/dbraw/zinc/55/49/11/407554911.db2.gz ARPJQVFLLBMYDE-CYBMUJFWSA-N -2 0 323.374 1.568 20 0 DDADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(C)cc1C(=O)[O-] ZINC000192844379 408661125 /nfs/dbraw/zinc/66/11/25/408661125.db2.gz LIWPSSURKGXQCC-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000164848926 408805101 /nfs/dbraw/zinc/80/51/01/408805101.db2.gz VFQBYHRSWTVIRQ-GXFFZTMASA-N -2 0 319.329 1.887 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)nn1C ZINC000319226884 164035684 /nfs/dbraw/zinc/03/56/84/164035684.db2.gz ULEORNUOFUGECG-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL CCc1oncc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000337859378 409515654 /nfs/dbraw/zinc/51/56/54/409515654.db2.gz LZJPLDDWYQFNOY-UHFFFAOYSA-N -2 0 314.294 1.875 20 0 DDADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-] ZINC000349114713 409699701 /nfs/dbraw/zinc/69/97/01/409699701.db2.gz VISUSBIYCUFONX-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000349116380 409699944 /nfs/dbraw/zinc/69/99/44/409699944.db2.gz ZOOWXZAAJGXFEA-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CC[C@H](CCC(=O)[O-])NS(=O)(=O)c1cn(CC(C)C)cn1 ZINC000297113458 409808878 /nfs/dbraw/zinc/80/88/78/409808878.db2.gz FYIDKMOAPZHVGK-LLVKDONJSA-N -2 0 317.411 1.461 20 0 DDADRL CC1(C(=O)[O-])CCN(C(=O)N=c2ccc(C3CC3)n[n-]2)CC1 ZINC000647697778 423002494 /nfs/dbraw/zinc/00/24/94/423002494.db2.gz KVPCNRLRJUHCDT-UHFFFAOYSA-N -2 0 304.350 1.495 20 0 DDADRL O=C([O-])COc1ccc(/C=C/c2cc(C(=O)[O-])ncn2)cc1 ZINC000535593717 421707671 /nfs/dbraw/zinc/70/76/71/421707671.db2.gz DOSPRWGIQAOXGG-DAFODLJHSA-N -2 0 300.270 1.809 20 0 DDADRL O=C([O-])c1ccc(C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[n-]2)cc1 ZINC000571562004 421726706 /nfs/dbraw/zinc/72/67/06/421726706.db2.gz ZREMGOIGZUDYCC-NSHDSACASA-N -2 0 316.317 1.576 20 0 DDADRL O=C([O-])Cc1ccc(-n2[n-]c(=O)c3c(c2=O)CCCC3)cc1 ZINC000634632882 422517104 /nfs/dbraw/zinc/51/71/04/422517104.db2.gz DAJZDQQCASLCQN-UHFFFAOYSA-N -2 0 300.314 1.444 20 0 DDADRL CC(C)(C)CC[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)C(=O)[O-] ZINC000653280664 423415787 /nfs/dbraw/zinc/41/57/87/423415787.db2.gz DLGBWMXSWDLSKF-NSHDSACASA-N -2 0 308.334 1.789 20 0 DDADRL O=C([O-])COc1ccc(C(=O)N(CC(=O)[O-])CC2CC2)cc1 ZINC000659763924 424232055 /nfs/dbraw/zinc/23/20/55/424232055.db2.gz MPVRVQXHBVXCMV-UHFFFAOYSA-N -2 0 307.302 1.087 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000263419890 280291236 /nfs/dbraw/zinc/29/12/36/280291236.db2.gz KWWSKPBYCCELBL-IUCAKERBSA-N -2 0 324.299 1.155 20 0 DDADRL O=C([O-])CCC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000365608877 300543681 /nfs/dbraw/zinc/54/36/81/300543681.db2.gz LTHMAQXBAAJJNK-UHFFFAOYSA-N -2 0 305.330 1.956 20 0 DDADRL C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000663057455 484633461 /nfs/dbraw/zinc/63/34/61/484633461.db2.gz RSZWBEHFUXFDDS-CMPLNLGQSA-N -2 0 321.329 1.475 20 0 DDADRL O=C([O-])C[C@H]1CCCN(C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000666566698 485275091 /nfs/dbraw/zinc/27/50/91/485275091.db2.gz CERXGOTXGUJSSE-GFCCVEGCSA-N -2 0 320.345 1.781 20 0 DDADRL O=C([O-])[C@@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000320676176 598220107 /nfs/dbraw/zinc/22/01/07/598220107.db2.gz KIIXDVZCAZABCP-UPJWGTAASA-N -2 0 305.330 1.820 20 0 DDADRL CSC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000738188959 599981703 /nfs/dbraw/zinc/98/17/03/599981703.db2.gz UQEHAWJKYDHDPN-LURJTMIESA-N -2 0 323.417 1.250 20 0 DDADRL C[C@@]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)(C(=O)[O-])C1CC1 ZINC000037908967 600239953 /nfs/dbraw/zinc/23/99/53/600239953.db2.gz BXHTUDSMWNLDFB-LBPRGKRZSA-N -2 0 323.292 1.636 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(Cl)cn2)c1C(=O)[O-] ZINC000738338746 600424046 /nfs/dbraw/zinc/42/40/46/600424046.db2.gz UWAKOOKTDCIXDH-UHFFFAOYSA-N -2 0 316.726 1.266 20 0 DDADRL CC(C)[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)C(=O)[O-] ZINC000736384812 600441740 /nfs/dbraw/zinc/44/17/40/600441740.db2.gz IVKORKOCCBEMQZ-SNVBAGLBSA-N -2 0 321.358 1.463 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1coc2ccccc12 ZINC000739696378 600466468 /nfs/dbraw/zinc/46/64/68/600466468.db2.gz ROWJJBUHOBLUTI-UHFFFAOYSA-N -2 0 311.315 1.357 20 0 DDADRL C[C@@H](CSCC1=Nc2ccccc2S(=O)(=O)[N-]1)C(=O)[O-] ZINC000736613052 600598221 /nfs/dbraw/zinc/59/82/21/600598221.db2.gz IYEDLURHXWFFFH-QMMMGPOBSA-N -2 0 314.388 1.462 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)no1 ZINC000036983918 600672106 /nfs/dbraw/zinc/67/21/06/600672106.db2.gz AQHAGKFJIUTTSE-UHFFFAOYSA-N -2 0 312.303 1.247 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cc1 ZINC000079705452 600981750 /nfs/dbraw/zinc/98/17/50/600981750.db2.gz FJQBNKVQVYVVPS-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL Cc1oc(S(=O)(=O)[N-]c2ccc(F)cn2)cc1C(=O)[O-] ZINC000833029715 601229686 /nfs/dbraw/zinc/22/96/86/601229686.db2.gz LIZXXNBJOHPSNV-UHFFFAOYSA-N -2 0 300.267 1.621 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])no1 ZINC000830223939 601362330 /nfs/dbraw/zinc/36/23/30/601362330.db2.gz AHQBGOKCMYISNW-UHFFFAOYSA-N -2 0 314.294 1.875 20 0 DDADRL O=C([O-])c1ccc(C(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])cn1 ZINC000833131660 601900600 /nfs/dbraw/zinc/90/06/00/601900600.db2.gz BNJKFWANVXOBLT-RYUDHWBXSA-N -2 0 320.345 1.933 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)C2=CCCC2)s1 ZINC000833148540 602242419 /nfs/dbraw/zinc/24/24/19/602242419.db2.gz LQCWERNSSXNQPF-UHFFFAOYSA-N -2 0 301.345 1.362 20 0 DDADRL C[C@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CC[C@@H]1NC(=O)[O-] ZINC000739191836 602787765 /nfs/dbraw/zinc/78/77/65/602787765.db2.gz QPBOBXAROOEYLX-IUCAKERBSA-N -2 0 322.390 1.875 20 0 DDADRL C[C@H]1CN(C(=O)c2c([O-])cc(F)cc2F)CC[C@H]1NC(=O)[O-] ZINC000739163928 602869285 /nfs/dbraw/zinc/86/92/85/602869285.db2.gz QZSOAGBEGQBHNR-OIBJUYFYSA-N -2 0 314.288 1.789 20 0 DDADRL C[C@@H](CCNC(=O)c1nn(-c2ccccc2)cc1[O-])NC(=O)[O-] ZINC000824802592 603543071 /nfs/dbraw/zinc/54/30/71/603543071.db2.gz MBWYNFVBAROHKM-JTQLQIEISA-N -2 0 318.333 1.354 20 0 DDADRL O=C([O-])NC[C@@H]1CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000832576903 603573326 /nfs/dbraw/zinc/57/33/26/603573326.db2.gz AVTWGLQKWHCGRU-QMMMGPOBSA-N -2 0 308.363 1.629 20 0 DDADRL Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H](C)CN(C)C(=O)[O-])c1 ZINC000830526951 604250439 /nfs/dbraw/zinc/25/04/39/604250439.db2.gz DVVSWIYCGAOOPN-SNVBAGLBSA-N -2 0 314.363 1.046 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)nc1C ZINC000833683140 604509960 /nfs/dbraw/zinc/50/99/60/604509960.db2.gz JRULBZFCIDTAQV-UHFFFAOYSA-N -2 0 315.376 1.772 20 0 DDADRL O=C(CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])NOCC(F)(F)F ZINC000831308847 605138333 /nfs/dbraw/zinc/13/83/33/605138333.db2.gz WQUKYRIIVHJHTD-CBLAIPOGSA-N -2 0 310.272 1.908 20 0 DDADRL O=C([O-])N1CC[C@@H](S(=O)(=O)[N-]C(=O)CC2=CCCCC2)C1 ZINC000831292766 605283749 /nfs/dbraw/zinc/28/37/49/605283749.db2.gz PJVNSTMLFWUTPI-LLVKDONJSA-N -2 0 316.379 1.075 20 0 DDADRL CN(CC(=O)N(CCCC(=O)[O-])Cc1ccccc1)C(=O)[O-] ZINC000833870798 605305999 /nfs/dbraw/zinc/30/59/99/605305999.db2.gz SWUGELJRXNETJO-UHFFFAOYSA-N -2 0 308.334 1.490 20 0 DDADRL C[C@H](CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)NC(=O)[O-] ZINC000833798646 605308377 /nfs/dbraw/zinc/30/83/77/605308377.db2.gz FUJUHMNNKQRDTH-NXEZZACHSA-N -2 0 300.355 1.382 20 0 DDADRL O=C([O-])N1C[C@H](O)C[C@H]1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000831779109 605797621 /nfs/dbraw/zinc/79/76/21/605797621.db2.gz ZTIDGYJQYUKFHJ-APPZFPTMSA-N -2 0 323.330 1.168 20 0 DDADRL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000834060452 606029489 /nfs/dbraw/zinc/02/94/89/606029489.db2.gz ZQINNQAZNZVTQN-OLZOCXBDSA-N -2 0 320.345 1.331 20 0 DDADRL O=C([O-])N[C@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000834251648 606031196 /nfs/dbraw/zinc/03/11/96/606031196.db2.gz JYNWSVJFAWNVHA-NEPJUHHUSA-N -2 0 306.318 1.319 20 0 DDADRL O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000834283301 606034836 /nfs/dbraw/zinc/03/48/36/606034836.db2.gz MXLMZJHRMDVREP-LLVKDONJSA-N -2 0 304.302 1.274 20 0 DDADRL O=C([O-])CC[C@@H](NC(=O)CC1CN(C(=O)[O-])C1)c1ccccc1 ZINC000834058768 606049742 /nfs/dbraw/zinc/04/97/42/606049742.db2.gz DHDKBVURMZIWEV-CYBMUJFWSA-N -2 0 320.345 1.709 20 0 DDADRL O=C([O-])CN(C(=O)[C@H]1CCCN(C(=O)[O-])C1)C1CCCCC1 ZINC000834060997 606051370 /nfs/dbraw/zinc/05/13/70/606051370.db2.gz ZXMLXYGXVYZZAT-NSHDSACASA-N -2 0 312.366 1.622 20 0 DDADRL O=C([O-])CN(C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)C1CCCCC1 ZINC000834060258 606051458 /nfs/dbraw/zinc/05/14/58/606051458.db2.gz OVJWZJUSAZDOIU-QWRGUYRKSA-N -2 0 312.366 1.669 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000834168008 606056491 /nfs/dbraw/zinc/05/64/91/606056491.db2.gz DYZNRDDQVHDNPS-JGVFFNPUSA-N -2 0 310.281 1.899 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000834173592 606065421 /nfs/dbraw/zinc/06/54/21/606065421.db2.gz SMBKNIDOVQASTI-FRRDWIJNSA-N -2 0 320.345 1.407 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])c1 ZINC000834064600 606066276 /nfs/dbraw/zinc/06/62/76/606066276.db2.gz CJHKXSNDXMCNCU-VXGBXAGGSA-N -2 0 306.318 1.689 20 0 DDADRL COC[C@@](C)(CC(=O)[O-])NC(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000833882609 606069357 /nfs/dbraw/zinc/06/93/57/606069357.db2.gz PIGJIPNIBCFGGG-OAHLLOKOSA-N -2 0 324.333 1.315 20 0 DDADRL O=C([O-])[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)[O-])Cc2ccccc21 ZINC000834061757 606112635 /nfs/dbraw/zinc/11/26/35/606112635.db2.gz ZLJPHXNEFDMQSB-QWHCGFSZSA-N -2 0 318.329 1.339 20 0 DDADRL O=C([O-])N[C@H](CC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000834120546 606112932 /nfs/dbraw/zinc/11/29/32/606112932.db2.gz HSNOYUFFMZBWBH-VXGBXAGGSA-N -2 0 306.318 1.319 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)C2(NC(=O)[O-])CCCC2)CC1 ZINC000834059973 606113506 /nfs/dbraw/zinc/11/35/06/606113506.db2.gz MKCOKFHCMSKUMJ-UHFFFAOYSA-N -2 0 312.366 1.670 20 0 DDADRL CCc1oncc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000800844458 700248099 /nfs/dbraw/zinc/24/80/99/700248099.db2.gz ZXUZZKUHMQTUSB-UHFFFAOYSA-N -2 0 314.294 1.875 20 0 DDADRL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)[C@@H](C)C(F)(F)F ZINC000819090107 704068666 /nfs/dbraw/zinc/06/86/66/704068666.db2.gz RTAWVGSDAGSGLD-FXQIFTODSA-N -2 0 305.318 1.602 20 0 DDADRL Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000863952122 706044655 /nfs/dbraw/zinc/04/46/55/706044655.db2.gz KOJZISDOGPHAKT-NSHDSACASA-N -2 0 313.375 1.547 20 0 DDADRL Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000863962181 706047137 /nfs/dbraw/zinc/04/71/37/706047137.db2.gz VOGNMOPGTXOEFI-LBPRGKRZSA-N -2 0 313.375 1.298 20 0 DDADRL Cc1cc(C)c(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)s1 ZINC000863964189 706047797 /nfs/dbraw/zinc/04/77/97/706047797.db2.gz ORBXLQSCSMDGPX-VIFPVBQESA-N -2 0 319.404 1.527 20 0 DDADRL CC[C@@H](C)N(OC)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000830474875 706522935 /nfs/dbraw/zinc/52/29/35/706522935.db2.gz PEBSRCLDVAOEBR-MRVPVSSYSA-N -2 0 306.322 1.547 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCCCC(=O)[O-] ZINC000836718104 707506749 /nfs/dbraw/zinc/50/67/49/707506749.db2.gz ZKJHDWCTWIDUMN-VIFPVBQESA-N -2 0 312.288 1.061 20 0 DDADRL O=C([O-])[C@]1(NC(=O)c2cc(F)c([O-])c(Cl)c2)CCOC1 ZINC000909379337 713004523 /nfs/dbraw/zinc/00/45/23/713004523.db2.gz YALGJTWBISTZTN-LBPRGKRZSA-N -2 0 303.673 1.158 20 0 DDADRL O=C([O-])[C@H]1CN(C(=O)N2CCc3ccccc32)CC[C@@H]1C(=O)[O-] ZINC000899923826 709238522 /nfs/dbraw/zinc/23/85/22/709238522.db2.gz MZYMPABKHHHSQL-RYUDHWBXSA-N -2 0 318.329 1.276 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000899942043 709244973 /nfs/dbraw/zinc/24/49/73/709244973.db2.gz DOOWNGHEZJZBDG-VGMNWLOBSA-N -2 0 317.329 1.748 20 0 DDADRL CCc1ccc(F)cc1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910185462 709802151 /nfs/dbraw/zinc/80/21/51/709802151.db2.gz ZVUBNYSLSJUMMP-MFKMUULPSA-N -2 0 323.320 1.778 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1ccccc1F ZINC000910186462 709802477 /nfs/dbraw/zinc/80/24/77/709802477.db2.gz RRZKYOBNPZTLDK-CMPLNLGQSA-N -2 0 309.293 1.145 20 0 DDADRL CN(CCCC(=O)[O-])C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000908638374 712827301 /nfs/dbraw/zinc/82/73/01/712827301.db2.gz IGJMZUCHOGEHAU-UHFFFAOYSA-N -2 0 321.308 1.654 20 0 DDADRL COCCN(CC(=O)[O-])C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000908855962 712870446 /nfs/dbraw/zinc/87/04/46/712870446.db2.gz IDKWFMFNLQRCIN-UHFFFAOYSA-N -2 0 305.689 1.358 20 0 DDADRL C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOP(=O)([O-])[O-] ZINC001181781713 743339518 /nfs/dbraw/zinc/33/95/18/743339518.db2.gz DMOYQZYLRSOZDZ-MRVPVSSYSA-N -2 0 323.669 1.333 20 0 DDADRL COC(=O)[C@H](CCC(=O)[O-])NC(=O)Cc1ccc([S-])cc1 ZINC001183187081 743792930 /nfs/dbraw/zinc/79/29/30/743792930.db2.gz KBPRNLZEDKBVAV-NSHDSACASA-N -2 0 311.359 1.040 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cc(C2CCC2)ccn1 ZINC001185314015 744202911 /nfs/dbraw/zinc/20/29/11/744202911.db2.gz PXSMFAIYFHPWRQ-UHFFFAOYSA-N -2 0 300.251 1.188 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])Nc1ccc(F)c(Cl)c1 ZINC001187712475 744595939 /nfs/dbraw/zinc/59/59/39/744595939.db2.gz VWAILDFDBVNGLV-UHFFFAOYSA-N -2 0 312.621 1.710 20 0 DDADRL Cc1cc(CNC(=O)c2ccccc2OP(=O)([O-])[O-])no1 ZINC001189860814 745003669 /nfs/dbraw/zinc/00/36/69/745003669.db2.gz OELKLVLLCKORPD-UHFFFAOYSA-N -2 0 312.218 1.385 20 0 DDADRL O=C(Nc1ccccc1CO)c1ccccc1OP(=O)([O-])[O-] ZINC001189888048 745042529 /nfs/dbraw/zinc/04/25/29/745042529.db2.gz UTCQZHRRHAEXOS-UHFFFAOYSA-N -2 0 323.241 1.903 20 0 DDADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccnnc2)cc1 ZINC001192107048 745692068 /nfs/dbraw/zinc/69/20/68/745692068.db2.gz WSAMJOBMUZGYMT-UHFFFAOYSA-N -2 0 307.331 1.295 20 0 DDADRL Cc1nccnc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192683088 745862203 /nfs/dbraw/zinc/86/22/03/745862203.db2.gz KXOUAQNUMRGJMD-UHFFFAOYSA-N -2 0 323.330 1.049 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)N[C@H]2[CH]CC=C2)c(F)cc1F ZINC001195267430 746560538 /nfs/dbraw/zinc/56/05/38/746560538.db2.gz BQMSIXPBQOYUHI-SSDOTTSWSA-N -2 0 302.278 1.474 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cncc(Cl)n1 ZINC001198738860 747585143 /nfs/dbraw/zinc/58/51/43/747585143.db2.gz GEEDAEHCWRVALX-UHFFFAOYSA-N -2 0 313.722 1.629 20 0 DDADRL Cn1ccc2nc(Cl)nc(NCCOP(=O)([O-])[O-])c21 ZINC001168587063 751182225 /nfs/dbraw/zinc/18/22/25/751182225.db2.gz NYNWBPHEGNHXMU-UHFFFAOYSA-N -2 0 306.646 1.143 20 0 DDADRL O=P([O-])([O-])OCCNc1ncc2cccc(Cl)c2n1 ZINC001168587134 751182984 /nfs/dbraw/zinc/18/29/84/751182984.db2.gz OTRBAHKKEAOMDS-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL CSc1nc(NCCOP(=O)([O-])[O-])cc(C(F)F)n1 ZINC001168589955 751206540 /nfs/dbraw/zinc/20/65/40/751206540.db2.gz RRYHQAOOLFICCJ-UHFFFAOYSA-N -2 0 315.238 1.657 20 0 DDADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cncc(N)c1 ZINC001174677201 777547400 /nfs/dbraw/zinc/54/74/00/777547400.db2.gz LDTDMKPGQKBDLC-UHFFFAOYSA-N -2 0 323.330 1.171 20 0 DDADRL COCCn1nc(C)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238885 778089942 /nfs/dbraw/zinc/08/99/42/778089942.db2.gz KUVLLIFCVFYVSP-UHFFFAOYSA-N -2 0 319.317 1.978 20 0 DDADRL CCC(F)(F)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000697557361 779663198 /nfs/dbraw/zinc/66/31/98/779663198.db2.gz LPQDUVXEINLQKB-UHFFFAOYSA-N -2 0 311.281 1.848 20 0 DDADRL Cc1cc(Br)c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)s1 ZINC001412181261 854301215 /nfs/dbraw/zinc/30/12/15/854301215.db2.gz NVIXOQMWKUPIOA-UHFFFAOYSA-N -2 0 319.140 1.206 20 0 DDADRL O=C(c1cc(F)cc(F)c1[O-])N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001412890021 855759138 /nfs/dbraw/zinc/75/91/38/855759138.db2.gz XWBBTNKJINHSKK-ZETCQYMHSA-N -2 0 324.287 1.514 20 0 DDADRL Cc1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc1Cl ZINC001228073053 883319633 /nfs/dbraw/zinc/31/96/33/883319633.db2.gz XYJQLEHWYGKINV-KCJUWKMLSA-N -2 0 316.693 1.090 20 0 DDADRL CC(C)(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1ccccc1 ZINC001223956927 881163361 /nfs/dbraw/zinc/16/33/61/881163361.db2.gz WRIBVFPRKOEDLH-PWSUYJOCSA-N -2 0 310.302 1.001 20 0 DDADRL Cc1ccc(C(C)C)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001227944621 883245478 /nfs/dbraw/zinc/24/54/78/883245478.db2.gz CQTCCIWCIJBLPY-RISCZKNCSA-N -2 0 324.329 1.560 20 0 DDADRL COc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc(OC)n1 ZINC001242159380 891353639 /nfs/dbraw/zinc/35/36/39/891353639.db2.gz IWPZHRBCNUJBAW-UHFFFAOYSA-N -2 0 304.258 1.557 20 0 DDADRL NC(=O)c1ccc(F)c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242163447 891357057 /nfs/dbraw/zinc/35/70/57/891357057.db2.gz YLLZZGRVFZNMKZ-UHFFFAOYSA-N -2 0 303.245 1.988 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2noc3cnccc23)cc1 ZINC001260222288 899095835 /nfs/dbraw/zinc/09/58/35/899095835.db2.gz UUJBEQLMTKXVND-UHFFFAOYSA-N -2 0 319.298 1.722 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2cnn(C)c2C)cc1C(=O)[O-] ZINC000348884794 539388970 /nfs/dbraw/zinc/38/89/70/539388970.db2.gz QLNBGTPNVWBROJ-UHFFFAOYSA-N -2 0 312.351 1.049 20 0 DDADRL O=C([O-])CSCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000262327491 304072117 /nfs/dbraw/zinc/07/21/17/304072117.db2.gz DLURXOKPSWNLIU-BBBLOLIVSA-N -2 0 301.364 1.049 20 0 DDADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000349086121 283837595 /nfs/dbraw/zinc/83/75/95/283837595.db2.gz RCGAOIUWFZLNQO-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL C[C@H]1CN(C(=O)NC2CCC(C(=O)[O-])CC2)CC[C@H]1C(=O)[O-] ZINC000626765554 367732343 /nfs/dbraw/zinc/73/23/43/367732343.db2.gz HWOIAAVXVBLITN-WNYYMSAVSA-N -2 0 312.366 1.382 20 0 DDADRL COc1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1O ZINC000351745291 284493410 /nfs/dbraw/zinc/49/34/10/284493410.db2.gz AYCSPQMPYYZKSS-UHFFFAOYSA-N -2 0 312.303 1.228 20 0 DDADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cncnc2)c1 ZINC000362213382 300029574 /nfs/dbraw/zinc/02/95/74/300029574.db2.gz IIWWHLUWUMLIMW-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL CCc1ccc([N-]S(=O)(=O)c2c[nH]nc2C)c(C(=O)[O-])c1 ZINC000314341931 164013962 /nfs/dbraw/zinc/01/39/62/164013962.db2.gz VCNVBXDCYRLMAB-UHFFFAOYSA-N -2 0 309.347 1.780 20 0 DDADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccccc2O)c1 ZINC000357023573 409803199 /nfs/dbraw/zinc/80/31/99/409803199.db2.gz XJWIKRFPKNCNEM-UHFFFAOYSA-N -2 0 307.327 1.820 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C)nc1 ZINC000343263543 410288927 /nfs/dbraw/zinc/28/89/27/410288927.db2.gz MNFPILQYNQTOGR-UHFFFAOYSA-N -2 0 321.358 1.846 20 0 DDADRL CC(C)(C)c1ccc(C(=O)N=c2ncn(CC(=O)[O-])[n-]2)cc1 ZINC000647780958 423044838 /nfs/dbraw/zinc/04/48/38/423044838.db2.gz VWWCFYUVXPIQAB-UHFFFAOYSA-N -2 0 302.334 1.334 20 0 DDADRL CC[C@H](C)Oc1ccc(C(=O)N=c2ncn(CC(=O)[O-])[n-]2)cc1 ZINC000647780794 423045467 /nfs/dbraw/zinc/04/54/67/423045467.db2.gz OBAHEIWVDQCBSO-JTQLQIEISA-N -2 0 318.333 1.214 20 0 DDADRL O=C([O-])Cn1cnc(=NC(=O)c2cc3c(s2)CCCCC3)[n-]1 ZINC000647782606 423046750 /nfs/dbraw/zinc/04/67/50/423046750.db2.gz UJVFPBSAPDSNBM-UHFFFAOYSA-N -2 0 320.374 1.367 20 0 DDADRL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ncccc2[O-])c1 ZINC000427650210 419709063 /nfs/dbraw/zinc/70/90/63/419709063.db2.gz FKYHNXUDMRSJPO-UHFFFAOYSA-N -2 0 322.342 1.539 20 0 DDADRL COc1cccc(C(=O)N=c2nc([C@@H](C)OC)[n-]s2)c1[O-] ZINC000436586824 420341962 /nfs/dbraw/zinc/34/19/62/420341962.db2.gz VBGDHTOQQRLAAP-SSDOTTSWSA-N -2 0 309.347 1.634 20 0 DDADRL CO[C@H](C)c1nc(=NC(=O)NCCCCCC(=O)[O-])s[n-]1 ZINC000417774723 420475499 /nfs/dbraw/zinc/47/54/99/420475499.db2.gz LOCGEECDBDGLRB-MRVPVSSYSA-N -2 0 316.383 1.434 20 0 DDADRL CO[C@@H](CS(=O)(=O)NCc1cc(C(=O)[O-])c(C)o1)C1CC1 ZINC000563072410 421450647 /nfs/dbraw/zinc/45/06/47/421450647.db2.gz OTHDAPQDGBURLN-LBPRGKRZSA-N -2 0 317.363 1.131 20 0 DDADRL CO[C@@H](C)c1nc(=NCCOc2ccc(C(=O)[O-])cc2)s[n-]1 ZINC000518192353 421642500 /nfs/dbraw/zinc/64/25/00/421642500.db2.gz FSYMNTOIVNVMNN-VIFPVBQESA-N -2 0 323.374 1.857 20 0 DDADRL O=C(N=c1nc(C2CCOCC2)[n-]s1)c1ccc(O)cc1[O-] ZINC000629101967 422477709 /nfs/dbraw/zinc/47/77/09/422477709.db2.gz MMTVGGLIVVWZJT-UHFFFAOYSA-N -3 0 321.358 1.518 20 0 DDADRL CC(C)(CCNC(=O)c1ccc(OCC(=O)[O-])cc1)C(=O)[O-] ZINC000659765827 424234258 /nfs/dbraw/zinc/23/42/58/424234258.db2.gz SMMAZQJSKWLTDK-UHFFFAOYSA-N -2 0 309.318 1.381 20 0 DDADRL CC(C)C[C@@H](CNC(=O)NC[C@H](C(=O)[O-])C(C)C)C(=O)[O-] ZINC000655879932 424690083 /nfs/dbraw/zinc/69/00/83/424690083.db2.gz STQHHXFZEZCFLY-QWRGUYRKSA-N -2 0 302.371 1.389 20 0 DDADRL CC(C)(CCNC(=O)NC[C@@H](C(=O)[O-])C1CCC1)C(=O)[O-] ZINC000665313326 424780059 /nfs/dbraw/zinc/78/00/59/424780059.db2.gz HKRHJFVFNILIRN-SNVBAGLBSA-N -2 0 300.355 1.287 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)[O-] ZINC000560418891 303810968 /nfs/dbraw/zinc/81/09/68/303810968.db2.gz FILHEICDMLRXTC-RQJHMYQMSA-N -2 0 321.317 1.125 20 0 DDADRL O=C([O-])CN(C(=O)c1ccc(C(=O)[O-])cc1)C1CCOCC1 ZINC000578988900 308499152 /nfs/dbraw/zinc/49/91/52/308499152.db2.gz RCJFCNQIZUWMTJ-UHFFFAOYSA-N -2 0 307.302 1.091 20 0 DDADRL C/C=C\C[C@@H](NS(=O)(=O)c1cnc(CC)s1)C(=O)[O-] ZINC000582358365 326018114 /nfs/dbraw/zinc/01/81/14/326018114.db2.gz SXSSATDTAXDUFQ-QIUOEGRZSA-N -2 0 304.393 1.403 20 0 DDADRL CC(C)[C@H](CNC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC000655896807 483989399 /nfs/dbraw/zinc/98/93/99/483989399.db2.gz OHSIZFLDXFUNQP-OUAUKWLOSA-N -2 0 300.355 1.095 20 0 DDADRL O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)C1(C(=O)[O-])CCC1 ZINC000663026185 484608893 /nfs/dbraw/zinc/60/88/93/484608893.db2.gz MRXBJTNOFRKIJR-CYBMUJFWSA-N -2 0 319.357 1.834 20 0 DDADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000663043295 484621289 /nfs/dbraw/zinc/62/12/89/484621289.db2.gz DKQSRVXLEGULIO-JTQLQIEISA-N -2 0 319.321 1.053 20 0 DDADRL C[C@@](CNC(=O)[C@@]1(C(=O)[O-])CC1(C)C)(C(=O)[O-])c1ccccc1 ZINC000663121022 484685155 /nfs/dbraw/zinc/68/51/55/484685155.db2.gz WCLSCXWHMXDGIO-DLBZAZTESA-N -2 0 319.357 1.646 20 0 DDADRL C[C@H](NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000663121190 484685428 /nfs/dbraw/zinc/68/54/28/484685428.db2.gz GYYQQPFAHGHSQI-MMWGEVLESA-N -2 0 313.394 1.985 20 0 DDADRL CCC(CC)(C(=O)[O-])C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000663137815 484696036 /nfs/dbraw/zinc/69/60/36/484696036.db2.gz CHIPRRSUKGKBRV-UHFFFAOYSA-N -2 0 311.338 1.532 20 0 DDADRL CCC(C)(C)N(C)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000684895614 486454572 /nfs/dbraw/zinc/45/45/72/486454572.db2.gz FLSZSDOYOURHIQ-VHSXEESVSA-N -2 0 300.355 1.334 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]Cc1nc(C(=O)[O-])cs1 ZINC000275039603 545653612 /nfs/dbraw/zinc/65/36/12/545653612.db2.gz VFHZVCFPUIEREE-SCSAIBSYSA-N -2 0 318.298 1.212 20 0 DDADRL CSc1nc(=O)[nH]c(C)c1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000037433302 597442900 /nfs/dbraw/zinc/44/29/00/597442900.db2.gz YCJOVIPBILNIFC-UHFFFAOYSA-N -2 0 311.363 1.149 20 0 DDADRL O=C([O-])[C@@H]1CCN(C(=O)c2ccc3c(=O)[nH]c(=S)[n-]c3c2)C1 ZINC000819275850 597505360 /nfs/dbraw/zinc/50/53/60/597505360.db2.gz ZRIFQWDASRUVCT-MRVPVSSYSA-N -2 0 319.342 1.171 20 0 DDADRL O=C([O-])[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000739548241 599729024 /nfs/dbraw/zinc/72/90/24/599729024.db2.gz OWLAZMZRYVGBKT-RQJHMYQMSA-N -2 0 321.713 1.005 20 0 DDADRL CCCc1ccc(S(=O)(=O)[N-]C(=O)CCNC(=O)[O-])cc1 ZINC000737049790 599797121 /nfs/dbraw/zinc/79/71/21/599797121.db2.gz DHDPVKRPHUQDDL-UHFFFAOYSA-N -2 0 314.363 1.102 20 0 DDADRL Cn1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)n1 ZINC000739038794 599854093 /nfs/dbraw/zinc/85/40/93/599854093.db2.gz NLBURVSPYGPSIJ-UHFFFAOYSA-N -2 0 309.347 1.238 20 0 DDADRL CC[C@H](C)[C@H](NS(=O)(=O)c1ccccc1C(=O)[O-])C(=O)[O-] ZINC000737238173 599870776 /nfs/dbraw/zinc/87/07/76/599870776.db2.gz UZSCOKKPUFUWBR-KWQFWETISA-N -2 0 315.347 1.162 20 0 DDADRL Cc1cccnc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000314194981 600101671 /nfs/dbraw/zinc/10/16/71/600101671.db2.gz HDHYDAHSEZPXHU-UHFFFAOYSA-N -2 0 322.342 1.654 20 0 DDADRL CC(C)[C@@H](NC(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC000736386549 600441726 /nfs/dbraw/zinc/44/17/26/600441726.db2.gz XUABKKIURIRFMN-SECBINFHSA-N -2 0 316.151 1.994 20 0 DDADRL CC(C)(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccccc1 ZINC000736224142 600464748 /nfs/dbraw/zinc/46/47/48/600464748.db2.gz WOSNQOZTHZMVCJ-UHFFFAOYSA-N -2 0 313.375 1.275 20 0 DDADRL COc1cccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c1 ZINC000124118821 600515157 /nfs/dbraw/zinc/51/51/57/600515157.db2.gz SPFRRIQCSSSXPI-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)cc1C(=O)[O-] ZINC000314427205 600658590 /nfs/dbraw/zinc/65/85/90/600658590.db2.gz YLRMSOLVORRSAN-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL COCCN(CCC(=O)[O-])C(=O)c1c([O-])cc(F)cc1F ZINC000831725448 600765758 /nfs/dbraw/zinc/76/57/58/600765758.db2.gz XKSBSSYWBQVCNS-UHFFFAOYSA-N -2 0 303.261 1.234 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)cc1C(=O)[O-] ZINC000728508990 600814466 /nfs/dbraw/zinc/81/44/66/600814466.db2.gz BBFYKIVAYRIEKD-UHFFFAOYSA-N -2 0 322.346 1.192 20 0 DDADRL CCN(CCC(=O)[O-])C(=O)CSc1n[n-]c(=S)s1 ZINC000829697561 601197839 /nfs/dbraw/zinc/19/78/39/601197839.db2.gz RCUKCJKNJVYWSA-UHFFFAOYSA-N -2 0 307.422 1.242 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000828858949 601239881 /nfs/dbraw/zinc/23/98/81/601239881.db2.gz IPGQSWJVCMPBFY-VXGBXAGGSA-N -2 0 319.423 1.760 20 0 DDADRL Cc1cc(F)c(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1F ZINC000832887386 601983384 /nfs/dbraw/zinc/98/33/84/601983384.db2.gz VMJOQEVRYHBSAG-UHFFFAOYSA-N -2 0 321.301 1.198 20 0 DDADRL CCC(=CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)CC ZINC000828550235 602384785 /nfs/dbraw/zinc/38/47/85/602384785.db2.gz SXCUGVHWJZSHRE-UHFFFAOYSA-N -2 0 311.359 1.936 20 0 DDADRL CN(Cc1ccccc1[N-]S(=O)(=O)c1ccn(C)n1)C(=O)[O-] ZINC000739713234 602654399 /nfs/dbraw/zinc/65/43/99/602654399.db2.gz BREAIJPOXBNHFA-UHFFFAOYSA-N -2 0 324.362 1.331 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000737788457 602748183 /nfs/dbraw/zinc/74/81/83/602748183.db2.gz VWHZOLKCYRYESC-NSHDSACASA-N -2 0 320.411 1.259 20 0 DDADRL C[C@H](CC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)NC(=O)[O-] ZINC000824557662 603278283 /nfs/dbraw/zinc/27/82/83/603278283.db2.gz ILAWKWQLLSPAHA-SSDOTTSWSA-N -2 0 324.362 1.402 20 0 DDADRL O=C([O-])N1CCC[C@@H](NC(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000831590026 603800490 /nfs/dbraw/zinc/80/04/90/603800490.db2.gz AGMWQZZOMUGKJO-SECBINFHSA-N -2 0 321.358 1.989 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)c1 ZINC000827707984 603873977 /nfs/dbraw/zinc/87/39/77/603873977.db2.gz ZZOXQMQZTYZRMB-UHFFFAOYSA-N -2 0 310.335 1.794 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)nc1C ZINC000833683444 604510504 /nfs/dbraw/zinc/51/05/04/604510504.db2.gz PJRLHZFYQCNJDK-UHFFFAOYSA-N -2 0 312.351 1.049 20 0 DDADRL C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000833408431 604880804 /nfs/dbraw/zinc/88/08/04/604880804.db2.gz VGTFMMWZQYFKEV-LURJTMIESA-N -2 0 321.738 1.132 20 0 DDADRL CC(C)C[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000824211605 605091671 /nfs/dbraw/zinc/09/16/71/605091671.db2.gz RBGXVQTVFBCOGY-SECBINFHSA-N -2 0 320.392 1.235 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cnc(C)nc2)c(C(=O)[O-])c1 ZINC000833750827 605187993 /nfs/dbraw/zinc/18/79/93/605187993.db2.gz BOCOTNLZEPMGIY-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000833601509 605188084 /nfs/dbraw/zinc/18/80/84/605188084.db2.gz LLFHVIUGVQTGFU-HTQZYQBOSA-N -2 0 317.388 1.687 20 0 DDADRL C[C@@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000141595777 605243771 /nfs/dbraw/zinc/24/37/71/605243771.db2.gz VAGZICJVOULMOI-UWTATZPHSA-N -2 0 319.207 1.134 20 0 DDADRL Cc1cc([N-]C(=O)c2nc(C[C@H](C)N(C)C(=O)[O-])no2)no1 ZINC000830116724 605318859 /nfs/dbraw/zinc/31/88/59/605318859.db2.gz MGOPYTRAOMOXNQ-LURJTMIESA-N -2 0 309.282 1.159 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)CC2(NC(=O)[O-])CCC2)cc1 ZINC000834065350 605689579 /nfs/dbraw/zinc/68/95/79/605689579.db2.gz KYBHLGNNOUZMFG-UHFFFAOYSA-N -2 0 322.317 1.669 20 0 DDADRL O=C([O-])[C@@H]1CC12CCN(C(=O)C1CCN(C(=O)[O-])CC1)CC2 ZINC000834058236 606033794 /nfs/dbraw/zinc/03/37/94/606033794.db2.gz LDZVOAIHGAFFCT-NSHDSACASA-N -2 0 310.350 1.090 20 0 DDADRL O=C([O-])[C@H](NC(=O)CN(CC1CC1)C(=O)[O-])c1ccccc1 ZINC000834007229 606047898 /nfs/dbraw/zinc/04/78/98/606047898.db2.gz SOCJHRDVMXVFTD-CYBMUJFWSA-N -2 0 306.318 1.319 20 0 DDADRL C[C@H](C(=O)[O-])[C@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)c1ccccc1 ZINC000833788826 606053359 /nfs/dbraw/zinc/05/33/59/606053359.db2.gz DHKLLNKXEQEBPD-UHTWSYAYSA-N -2 0 320.345 1.565 20 0 DDADRL Cc1oc(CN(C)C(=O)C(C)(C)CNC(=O)[O-])cc1C(=O)[O-] ZINC000833934352 606054998 /nfs/dbraw/zinc/05/49/98/606054998.db2.gz HNFCAMOOAFFRKN-UHFFFAOYSA-N -2 0 312.322 1.538 20 0 DDADRL C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000833895611 606066405 /nfs/dbraw/zinc/06/64/05/606066405.db2.gz ZLGRICQCZSALKM-SECBINFHSA-N -2 0 310.306 1.525 20 0 DDADRL O=C([O-])Nc1ccc(CC(=O)N[C@@]2(C(=O)[O-])CCSC2)cc1 ZINC000834256816 606068831 /nfs/dbraw/zinc/06/88/31/606068831.db2.gz UFDMHOGNQMOAOR-AWEZNQCLSA-N -2 0 324.358 1.396 20 0 DDADRL CCc1onc(C)c1C(=O)[N-]NC(=O)c1cc(Cl)ccc1O ZINC000161555453 697324109 /nfs/dbraw/zinc/32/41/09/697324109.db2.gz JLMIPLAZMOSFND-UHFFFAOYSA-N -2 0 323.736 1.979 20 0 DDADRL CCO[N-]C(=O)CNC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000824003991 705353057 /nfs/dbraw/zinc/35/30/57/705353057.db2.gz MBFZZKRZPADYHX-UHFFFAOYSA-N -2 0 307.133 1.497 20 0 DDADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000863953801 706045508 /nfs/dbraw/zinc/04/55/08/706045508.db2.gz ZCYYULIFVYYPHM-LLVKDONJSA-N -2 0 313.375 1.380 20 0 DDADRL Cc1cc(C(=O)[O-])cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C)c1 ZINC000863954474 706045700 /nfs/dbraw/zinc/04/57/00/706045700.db2.gz BWWGWORMQCZFTQ-UHFFFAOYSA-N -2 0 313.375 1.799 20 0 DDADRL O=C([O-])CC1(C(=O)[N-]S(=O)(=O)c2ccsc2)CCC1 ZINC000863956838 706046283 /nfs/dbraw/zinc/04/62/83/706046283.db2.gz UKRUWXFDDRYHLE-UHFFFAOYSA-N -2 0 303.361 1.198 20 0 DDADRL Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)c1 ZINC000863959881 706046850 /nfs/dbraw/zinc/04/68/50/706046850.db2.gz QPRBJNGXXAGHMO-LBPRGKRZSA-N -2 0 313.375 1.298 20 0 DDADRL CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000864494455 706181552 /nfs/dbraw/zinc/18/15/52/706181552.db2.gz HXTWLVCHUOBAPQ-MRVPVSSYSA-N -2 0 321.782 1.919 20 0 DDADRL CN(CCCC(=O)[O-])S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000864495000 706181638 /nfs/dbraw/zinc/18/16/38/706181638.db2.gz ZHHWQLGLKKVTCU-UHFFFAOYSA-N -2 0 307.755 1.531 20 0 DDADRL O=C([O-])[C@H](CC(F)(F)F)NC(=O)NCc1ccc(O)c(F)c1 ZINC000909050115 712926092 /nfs/dbraw/zinc/92/60/92/712926092.db2.gz XGKKYWUHZOKXHN-QMMMGPOBSA-N -2 0 324.230 1.736 20 0 DDADRL CCSCC[C@@H](C)NS(=O)(=O)c1occc1C(=O)[O-] ZINC000871994326 707273313 /nfs/dbraw/zinc/27/33/13/707273313.db2.gz VOZJICDREGCFGQ-MRVPVSSYSA-N -2 0 307.393 1.788 20 0 DDADRL COc1cc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc(Cl)c1O ZINC000909307527 712987468 /nfs/dbraw/zinc/98/74/68/712987468.db2.gz LZNGIJHERYQLOO-CYBMUJFWSA-N -2 0 317.700 1.693 20 0 DDADRL O=C([O-])[C@H]1CCN(C(=O)N2CCc3ccccc32)C[C@H]1C(=O)[O-] ZINC000899923825 709238538 /nfs/dbraw/zinc/23/85/38/709238538.db2.gz MZYMPABKHHHSQL-NWDGAFQWSA-N -2 0 318.329 1.276 20 0 DDADRL CC(C)n1cccc1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910183456 709800847 /nfs/dbraw/zinc/80/08/47/709800847.db2.gz BKLGCKUVRDFNIV-ZYHUDNBSSA-N -2 0 308.334 1.459 20 0 DDADRL Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c(C)n1C ZINC000910183472 709800937 /nfs/dbraw/zinc/80/09/37/709800937.db2.gz BNWMDNCPLMPMIW-JQWIXIFHSA-N -2 0 308.334 1.032 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@H]2CCCCS2)C1 ZINC000910185840 709801805 /nfs/dbraw/zinc/80/18/05/709801805.db2.gz YXJYFQVWPHYVIT-OPRDCNLKSA-N -2 0 301.364 1.049 20 0 DDADRL CC(C)(C)SCC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910186056 709802374 /nfs/dbraw/zinc/80/23/74/709802374.db2.gz MRSJKCDTIVNDSI-RKDXNWHRSA-N -2 0 303.380 1.295 20 0 DDADRL CN(C)c1cccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910186899 709802389 /nfs/dbraw/zinc/80/23/89/709802389.db2.gz WSBOSNUPFBKDEN-YPMHNXCESA-N -2 0 320.345 1.143 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2ccccc2F)C1 ZINC000910186463 709802598 /nfs/dbraw/zinc/80/25/98/709802598.db2.gz RRZKYOBNPZTLDK-JQWIXIFHSA-N -2 0 309.293 1.145 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCc2ccsc2)C1 ZINC000910187170 709803115 /nfs/dbraw/zinc/80/31/15/709803115.db2.gz BJDSBOFLFMTFRZ-MNOVXSKESA-N -2 0 311.359 1.457 20 0 DDADRL Cc1ccccc1CCC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910189188 709804068 /nfs/dbraw/zinc/80/40/68/709804068.db2.gz QYHYJTCHXKRONW-ZIAGYGMSSA-N -2 0 319.357 1.704 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000907732141 712619762 /nfs/dbraw/zinc/61/97/62/712619762.db2.gz SMAPSRDGJXEBJX-JZRPKSSGSA-N -2 0 309.362 1.589 20 0 DDADRL CC(C)[C@H](CO)O[N-]C(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC000907850028 712635655 /nfs/dbraw/zinc/63/56/55/712635655.db2.gz JKAHRNKUBKROJO-XEZPLFJOSA-N -2 0 307.346 1.310 20 0 DDADRL CCCC[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC000916107748 713442524 /nfs/dbraw/zinc/44/25/24/713442524.db2.gz DRZHQEYXSHRCKX-LLVKDONJSA-N -2 0 315.347 1.307 20 0 DDADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cncc(N)c1 ZINC001211620813 735411929 /nfs/dbraw/zinc/41/19/29/735411929.db2.gz IBOMCIURKIZFDJ-UHFFFAOYSA-N -2 0 307.331 1.471 20 0 DDADRL CCc1cccc(C)c1NC(=O)NCCOP(=O)([O-])[O-] ZINC001189998522 745074763 /nfs/dbraw/zinc/07/47/63/745074763.db2.gz DMIPVMZNJBKSRV-UHFFFAOYSA-N -2 0 302.267 1.788 20 0 DDADRL O=C(Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21)c1cccc([S-])c1 ZINC001186162512 744347524 /nfs/dbraw/zinc/34/75/24/744347524.db2.gz BHMLEBLEWBWWAF-UHFFFAOYSA-N -2 0 303.303 1.257 20 0 DDADRL CC1(C)[C@H](NC(=O)c2ccccc2OP(=O)([O-])[O-])C[C@@H]1O ZINC001189899299 745048572 /nfs/dbraw/zinc/04/85/72/745048572.db2.gz NYAXQRRTRRSEDK-MNOVXSKESA-N -2 0 315.262 1.047 20 0 DDADRL CC[C@H](C)NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189932311 745055415 /nfs/dbraw/zinc/05/54/15/745055415.db2.gz AIWFHJCUBXFBMP-ZETCQYMHSA-N -2 0 301.320 1.160 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccno2)c(Cl)cc1F ZINC001193972608 746245173 /nfs/dbraw/zinc/24/51/73/746245173.db2.gz FWJJQWLAGUKURS-UHFFFAOYSA-N -2 0 320.685 1.966 20 0 DDADRL COc1ncccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC001194718639 746449177 /nfs/dbraw/zinc/44/91/77/746449177.db2.gz IYLQTKQTTJEKLK-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL Cc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)o1 ZINC001195185214 746540565 /nfs/dbraw/zinc/54/05/65/746540565.db2.gz LFIPWMWSBHCDDZ-UHFFFAOYSA-N -2 0 319.245 1.155 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)Nc1cnncc1Cl ZINC001198740484 747585820 /nfs/dbraw/zinc/58/58/20/747585820.db2.gz HSADHOCWMCJMNW-UHFFFAOYSA-N -2 0 313.722 1.629 20 0 DDADRL O=P([O-])([O-])OCCNC(=S)Nc1ccccc1Cl ZINC001200867884 748366061 /nfs/dbraw/zinc/36/60/61/748366061.db2.gz VRILAMUSTOEXBO-UHFFFAOYSA-N -2 0 310.699 1.736 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(Cl)cc(C(F)(F)F)n1 ZINC001168585950 751175108 /nfs/dbraw/zinc/17/51/08/751175108.db2.gz BDFYGULXDIAQKO-UHFFFAOYSA-N -2 0 321.579 1.670 20 0 DDADRL O=P([O-])([O-])OCCNc1cncc(Oc2ccccc2)n1 ZINC001168587049 751181752 /nfs/dbraw/zinc/18/17/52/751181752.db2.gz NTTRHDYPPHTSIS-UHFFFAOYSA-N -2 0 311.234 1.790 20 0 DDADRL CC(=O)O[C@H]1Cc2ccc(NCCOP(=O)([O-])[O-])cc2C1 ZINC001168590987 751214969 /nfs/dbraw/zinc/21/49/69/751214969.db2.gz FPDFLULWTONKSD-ZDUSSCGKSA-N -2 0 315.262 1.238 20 0 DDADRL CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000828504975 759665487 /nfs/dbraw/zinc/66/54/87/759665487.db2.gz MCVYDFRAEVDCHS-SNVBAGLBSA-N -2 0 311.378 1.837 20 0 DDADRL COC(=O)[C@@H](Nc1ccc(P(=O)([O-])[O-])cc1)C(F)(F)F ZINC001171014015 772099171 /nfs/dbraw/zinc/09/91/71/772099171.db2.gz DCKBKVLXVLUHTL-MRVPVSSYSA-N -2 0 313.168 1.005 20 0 DDADRL COc1cc(Nc2cc(=O)[nH]c(N(C)C)n2)ccc1C(=O)[O-] ZINC001174682868 777550309 /nfs/dbraw/zinc/55/03/09/777550309.db2.gz PBPFUZRGNNJZIV-UHFFFAOYSA-N -2 0 304.306 1.699 20 0 DDADRL CC(C)=CCC[C@H](C)CCOC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001224710543 881507919 /nfs/dbraw/zinc/50/79/19/881507919.db2.gz UUVVALPLCJAMNZ-NWDGAFQWSA-N -2 0 324.310 1.772 20 0 DDADRL O=C([O-])C[C@H](C(=O)Oc1ccc2c(c1)CCCC2)[C@@H](O)C(=O)[O-] ZINC001226760885 882635490 /nfs/dbraw/zinc/63/54/90/882635490.db2.gz OYKBLINJGUSHML-GXTWGEPZSA-N -2 0 322.313 1.007 20 0 DDADRL COC(C)(C)C[C@@H](C)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21 ZINC001226887112 882701527 /nfs/dbraw/zinc/70/15/27/882701527.db2.gz ZHBCQIWBHAEGQG-ZCFIWIBFSA-N -2 0 310.310 1.119 20 0 DDADRL O=C(CSc1n[nH]c(=O)[n-]1)Nc1cc(O)c(F)cc1F ZINC001362984509 885145959 /nfs/dbraw/zinc/14/59/59/885145959.db2.gz MGNMBSYDKDEEBU-UHFFFAOYSA-N -2 0 302.262 1.225 20 0 DDADRL CCOC(=O)[C@H](Oc1ccc(OP(=O)([O-])[O-])cc1)C1CC1 ZINC001234335057 887875535 /nfs/dbraw/zinc/87/55/35/887875535.db2.gz KAESIARNQBJMSY-GFCCVEGCSA-N -2 0 316.246 1.879 20 0 DDADRL COc1nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc(C)c1F ZINC001242159155 891354372 /nfs/dbraw/zinc/35/43/72/891354372.db2.gz IHNRKYWDFYIPNP-UHFFFAOYSA-N -2 0 306.249 1.996 20 0 DDADRL COc1cc(C(=O)[O-])cc(-c2cccc(S(=O)(=O)[O-])n2)c1 ZINC001244175399 891811684 /nfs/dbraw/zinc/81/16/84/891811684.db2.gz KOJQSYGWLMUDMR-UHFFFAOYSA-N -2 0 309.299 1.702 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2noc3cnccc23)c1 ZINC001260184044 899075909 /nfs/dbraw/zinc/07/59/09/899075909.db2.gz PBQXHXVNIQQUEZ-UHFFFAOYSA-N -2 0 319.298 1.722 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnc3ccnn3c2)c1 ZINC001260184007 899077090 /nfs/dbraw/zinc/07/70/90/899077090.db2.gz NCCOORDCVVVGHT-UHFFFAOYSA-N -2 0 318.314 1.228 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(CO)n2)cc1 ZINC001260222249 899096215 /nfs/dbraw/zinc/09/62/15/899096215.db2.gz SLYFVNBRSWMAHD-UHFFFAOYSA-N -2 0 308.315 1.073 20 0 DDADRL N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000386607646 901025038 /nfs/dbraw/zinc/02/50/38/901025038.db2.gz YOTBFRAGXHZWGI-UHFFFAOYSA-N -2 0 318.310 1.763 20 0 DDADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1C ZINC000007708607 352126060 /nfs/dbraw/zinc/12/60/60/352126060.db2.gz BCYPEUVROJIUDE-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c[nH]1 ZINC000230026943 354324433 /nfs/dbraw/zinc/32/44/33/354324433.db2.gz HJRJNDXXQCRTRT-UHFFFAOYSA-N -2 0 315.738 1.871 20 0 DDADRL COc1ccc(=NC(=O)N=c2cc(-c3ccc(C)o3)[n-][nH]2)[n-]n1 ZINC000346628792 283137323 /nfs/dbraw/zinc/13/73/23/283137323.db2.gz HEPKVDDKKXHIIK-UHFFFAOYSA-N -2 0 314.305 1.265 20 0 DDADRL C[C@@H]1CN(C(=O)NC2CCC(C(=O)[O-])CC2)CC[C@@H]1C(=O)[O-] ZINC000626765556 367732090 /nfs/dbraw/zinc/73/20/90/367732090.db2.gz HWOIAAVXVBLITN-YYJSSNLHSA-N -2 0 312.366 1.382 20 0 DDADRL Cn1nccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000044593608 183425199 /nfs/dbraw/zinc/42/51/99/183425199.db2.gz AAMDXSVFKVNFNA-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL CC(C)Oc1ccc(=NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)[n-]n1 ZINC000567879411 304251027 /nfs/dbraw/zinc/25/10/27/304251027.db2.gz SNJJYRRHVXDECR-QWRGUYRKSA-N -2 0 322.365 1.260 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2cnoc2C)cc1C(=O)[O-] ZINC000433809014 533072298 /nfs/dbraw/zinc/07/22/98/533072298.db2.gz HTIZEFVUPZWJDM-UHFFFAOYSA-N -2 0 312.303 1.491 20 0 DDADRL CO[C@H](C)c1nc(=NC(=O)NCCC(C)(C)C(=O)[O-])s[n-]1 ZINC000424388337 533119018 /nfs/dbraw/zinc/11/90/18/533119018.db2.gz JXXFNRJJKSYHCL-SSDOTTSWSA-N -2 0 316.383 1.290 20 0 DDADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000111309571 407406726 /nfs/dbraw/zinc/40/67/26/407406726.db2.gz ZWEGJVKETRQRPE-JTQLQIEISA-N -2 0 315.347 1.314 20 0 DDADRL CS[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000235173848 407717262 /nfs/dbraw/zinc/71/72/62/407717262.db2.gz OMILQKOTTJCJCY-RKDXNWHRSA-N -2 0 319.404 1.930 20 0 DDADRL Cc1c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cnn1C ZINC000313986447 164012191 /nfs/dbraw/zinc/01/21/91/164012191.db2.gz NEGQDYKSYYPBJK-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL CCc1ccc([N-]S(=O)(=O)c2cn(C)cn2)c(C(=O)[O-])c1 ZINC000314274054 164013909 /nfs/dbraw/zinc/01/39/09/164013909.db2.gz MSCHZQCEDWRASP-UHFFFAOYSA-N -2 0 309.347 1.482 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c2OCO3)cc1 ZINC000359845789 410913195 /nfs/dbraw/zinc/91/31/95/410913195.db2.gz FMMWNTYXEKCAAY-UHFFFAOYSA-N -2 0 321.310 1.914 20 0 DDADRL O=C(N=c1nc(-c2cccnc2)[n-]s1)c1c([O-])cccc1O ZINC000436647216 420347545 /nfs/dbraw/zinc/34/75/45/420347545.db2.gz KTFHDYSCFKAMIQ-UHFFFAOYSA-N -2 0 314.326 1.686 20 0 DDADRL O=C([O-])Cn1cc(/C=C\c2nc3cc(C(=O)[O-])ccc3o2)nn1 ZINC000439280656 420504281 /nfs/dbraw/zinc/50/42/81/420504281.db2.gz WZWZOAQTNAJMPI-RQOWECAXSA-N -2 0 314.257 1.373 20 0 DDADRL CC(C)c1ccccc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-] ZINC000526060487 421327785 /nfs/dbraw/zinc/32/77/85/421327785.db2.gz RNPVZDRYVBUUHJ-SNVBAGLBSA-N -2 0 315.347 1.016 20 0 DDADRL CCCSc1nc(=NC(=O)NC[C@H](C)C(=O)[O-])s[n-]1 ZINC000653540689 423519841 /nfs/dbraw/zinc/51/98/41/423519841.db2.gz QKFMPMAPBIUGNX-LURJTMIESA-N -2 0 304.397 1.304 20 0 DDADRL CCC(=O)c1ccc([O-])c([N-]S(=O)(=O)C2(COC)CC2)c1 ZINC000641687363 423859159 /nfs/dbraw/zinc/85/91/59/423859159.db2.gz PMPSJFGGNGDKJZ-UHFFFAOYSA-N -2 0 313.375 1.906 20 0 DDADRL C[C@@H](NC(=O)NCCCCC(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655879285 424689886 /nfs/dbraw/zinc/68/98/86/424689886.db2.gz MTWVJGSPWLALEH-OUAUKWLOSA-N -2 0 314.382 1.676 20 0 DDADRL C[C@@H](CNC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)C(=O)[O-] ZINC000655883029 424690803 /nfs/dbraw/zinc/69/08/03/424690803.db2.gz SPTDYBNSICMDQX-ZUZCIYMTSA-N -2 0 308.334 1.049 20 0 DDADRL CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000263553137 281469136 /nfs/dbraw/zinc/46/91/36/281469136.db2.gz MJJUOANCSVURFY-UTUOFQBUSA-N -2 0 305.330 1.155 20 0 DDADRL O=C([O-])Cn1cc(/C=C\c2ccc3cc(C(=O)[O-])ccc3n2)nn1 ZINC000361497612 299879876 /nfs/dbraw/zinc/87/98/76/299879876.db2.gz DUZZYLWYQZRGIQ-PLNGDYQASA-N -2 0 324.296 1.780 20 0 DDADRL CN(CCC(=O)[O-])c1ccc(=NCc2ccccc2F)[nH]n1 ZINC000564731432 308004431 /nfs/dbraw/zinc/00/44/31/308004431.db2.gz DZDFNPZJTKLNDE-UHFFFAOYSA-N -2 0 304.325 1.561 20 0 DDADRL O=C([O-])[C@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC000663022176 484606762 /nfs/dbraw/zinc/60/67/62/484606762.db2.gz GOQRBDHGJQMKNS-VIFPVBQESA-N -2 0 319.292 1.264 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)CC1 ZINC000663129567 484691576 /nfs/dbraw/zinc/69/15/76/484691576.db2.gz YBKLMAABCRXWDD-MRXNPFEDSA-N -2 0 309.362 1.901 20 0 DDADRL O=C([O-])[C@@H](C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)C1CC1 ZINC000663132977 484693417 /nfs/dbraw/zinc/69/34/17/484693417.db2.gz NAVURYLNUXYFEL-CHWSQXEVSA-N -2 0 303.314 1.308 20 0 DDADRL CCN(CC)C(=O)N[C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684562154 486384237 /nfs/dbraw/zinc/38/42/37/486384237.db2.gz SRRYCWRPHSBSNX-CYBMUJFWSA-N -2 0 322.361 1.361 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cn1C ZINC000229620241 527013677 /nfs/dbraw/zinc/01/36/77/527013677.db2.gz VSUMCGLUIJSHDB-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000819626108 597313933 /nfs/dbraw/zinc/31/39/33/597313933.db2.gz INGMNYSPKSGLHD-UHFFFAOYSA-N -3 0 324.314 1.141 20 0 DDADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)n1 ZINC000739920523 599739784 /nfs/dbraw/zinc/73/97/84/599739784.db2.gz QMNSXFJXPAYZGJ-UHFFFAOYSA-N -2 0 321.358 1.257 20 0 DDADRL O=C([O-])CSCCNC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000389461015 599891097 /nfs/dbraw/zinc/89/10/97/599891097.db2.gz FVPFBZNCEIHRAY-UHFFFAOYSA-N -2 0 306.343 1.076 20 0 DDADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2cccs2)n1 ZINC000040162556 600050878 /nfs/dbraw/zinc/05/08/78/600050878.db2.gz RRMVINWQYZQMPQ-UHFFFAOYSA-N -2 0 304.374 1.633 20 0 DDADRL CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736354799 600241714 /nfs/dbraw/zinc/24/17/14/600241714.db2.gz LHVIDVSJMIKGCE-JTQLQIEISA-N -2 0 313.375 1.623 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccn2)c(F)cc1F ZINC000740089579 600247164 /nfs/dbraw/zinc/24/71/64/600247164.db2.gz FYPAOAAQCWAZDI-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000079701414 600513685 /nfs/dbraw/zinc/51/36/85/600513685.db2.gz BRWKGNVRGGJVLZ-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL CN(C(=O)CSc1n[n-]c(=S)s1)C(C)(C)C(=O)[O-] ZINC000830496076 601282024 /nfs/dbraw/zinc/28/20/24/601282024.db2.gz VYGORSFPOAYPJK-UHFFFAOYSA-N -2 0 307.422 1.241 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])no1 ZINC000830224022 601362346 /nfs/dbraw/zinc/36/23/46/601362346.db2.gz DFPNURHJAHXJIH-UHFFFAOYSA-N -2 0 314.319 1.946 20 0 DDADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C2CC2)cc1 ZINC000833315267 601364217 /nfs/dbraw/zinc/36/42/17/601364217.db2.gz PZYDQEUFZCFPHR-CHWSQXEVSA-N -2 0 323.370 1.377 20 0 DDADRL CC(C)(CNC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000826607389 601819688 /nfs/dbraw/zinc/81/96/88/601819688.db2.gz SSMYXFXKHOMKOG-UHFFFAOYSA-N -2 0 303.318 1.419 20 0 DDADRL Cc1c2cc(F)ccc2oc1S(=O)(=O)N[C@H](C)C(=O)[O-] ZINC000261664280 602173710 /nfs/dbraw/zinc/17/37/10/602173710.db2.gz JPHDYCWWLVCFSI-SSDOTTSWSA-N -2 0 301.295 1.632 20 0 DDADRL CCC[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000739322234 602670058 /nfs/dbraw/zinc/67/00/58/602670058.db2.gz YUTJTVIBAJLIEZ-SECBINFHSA-N -2 0 318.326 1.067 20 0 DDADRL CCC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000739320585 602671101 /nfs/dbraw/zinc/67/11/01/602671101.db2.gz PSIPPHVSZJXOSB-NSHDSACASA-N -2 0 320.411 1.449 20 0 DDADRL COCCN(CC(=O)Nc1cccc(Cl)c1[O-])C(=O)[O-] ZINC000739823403 603310124 /nfs/dbraw/zinc/31/01/24/603310124.db2.gz VCAZDWGMRGMQQA-UHFFFAOYSA-N -2 0 302.714 1.611 20 0 DDADRL CC(C)(CNC(=O)[O-])C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000823965271 603652360 /nfs/dbraw/zinc/65/23/60/603652360.db2.gz VBVIJFWKTIYWML-UHFFFAOYSA-N -2 0 320.305 1.262 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)C1(CNC(=O)[O-])CCCC1 ZINC000826576180 603787921 /nfs/dbraw/zinc/78/79/21/603787921.db2.gz RJPPPWVPMOKFFP-UHFFFAOYSA-N -2 0 320.411 1.449 20 0 DDADRL CN(C(=O)c1ccc2[n-]c(=S)oc2c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827939434 603872298 /nfs/dbraw/zinc/87/22/98/603872298.db2.gz ZPBLRSGOYYAKML-SECBINFHSA-N -2 0 321.358 1.941 20 0 DDADRL C[C@@H](CN(C)C(=O)[O-])C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000824869027 604255232 /nfs/dbraw/zinc/25/52/32/604255232.db2.gz TZHSAKIGTIBADU-VIFPVBQESA-N -2 0 306.384 1.011 20 0 DDADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2ccsc2)s1 ZINC000833311491 604413517 /nfs/dbraw/zinc/41/35/17/604413517.db2.gz UNHFMNSDFXTLOZ-UHFFFAOYSA-N -2 0 317.369 1.627 20 0 DDADRL CC(C)CS(=O)(=O)[N-]C(=O)CCc1ccccc1C(=O)[O-] ZINC000833492184 604777270 /nfs/dbraw/zinc/77/72/70/604777270.db2.gz RWNZUSVZBPHWLG-UHFFFAOYSA-N -2 0 313.375 1.419 20 0 DDADRL Cn1nccc1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])c(F)c1 ZINC000833759272 605265241 /nfs/dbraw/zinc/26/52/41/605265241.db2.gz AKBCCOZDRHZSLX-UHFFFAOYSA-N -2 0 314.298 1.450 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000834174976 605308344 /nfs/dbraw/zinc/30/83/44/605308344.db2.gz YLKBCIXCPXYFEW-QWHCGFSZSA-N -2 0 320.345 1.480 20 0 DDADRL O=C([O-])N[C@@H](Cc1ccccc1)C(=O)[N-]OCc1cccnc1 ZINC000834148625 605665420 /nfs/dbraw/zinc/66/54/20/605665420.db2.gz ALWIFPLBVOJOIJ-AWEZNQCLSA-N -2 0 315.329 1.508 20 0 DDADRL O=C([O-])N1CCC[C@H](NC(=O)c2nnc3ccccc3c2O)C1 ZINC000739389420 605696003 /nfs/dbraw/zinc/69/60/03/605696003.db2.gz SNDVNIDLKJXORH-VIFPVBQESA-N -2 0 316.317 1.208 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2nc3c(cccc3C(=O)[O-])[nH]2)o1 ZINC000833750834 605785282 /nfs/dbraw/zinc/78/52/82/605785282.db2.gz BRXHJMWNHDOQFF-UHFFFAOYSA-N -2 0 321.314 1.963 20 0 DDADRL O=C([O-])c1ccc(CNC(=O)CN(CC2CC2)C(=O)[O-])cc1 ZINC000834006876 606027104 /nfs/dbraw/zinc/02/71/04/606027104.db2.gz OPJCTSPUOYGDIM-UHFFFAOYSA-N -2 0 306.318 1.391 20 0 DDADRL CC(C)[C@@H](NC(=O)C[C@H](NC(=O)[O-])c1ccccc1)C(=O)[O-] ZINC000833792682 606032582 /nfs/dbraw/zinc/03/25/82/606032582.db2.gz LZYJYGPWIZOSIS-WCQYABFASA-N -2 0 308.334 1.611 20 0 DDADRL O=C([O-])[C@H]1CC12CCN(C(=O)CC1CCN(C(=O)[O-])CC1)CC2 ZINC000834058328 606033764 /nfs/dbraw/zinc/03/37/64/606033764.db2.gz MDSAOBYSIOSJJJ-GFCCVEGCSA-N -2 0 324.377 1.480 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)c2ccc(CNC(=O)[O-])o2)c1 ZINC000834069660 606067049 /nfs/dbraw/zinc/06/70/49/606067049.db2.gz WASUUYMOQYJENJ-UHFFFAOYSA-N -2 0 318.285 1.927 20 0 DDADRL O=C([O-])N[C@@H](CC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000834120545 606112748 /nfs/dbraw/zinc/11/27/48/606112748.db2.gz HSNOYUFFMZBWBH-RYUDHWBXSA-N -2 0 306.318 1.319 20 0 DDADRL O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[O-])Cc2ccccc21 ZINC000834061758 606112846 /nfs/dbraw/zinc/11/28/46/606112846.db2.gz ZLJPHXNEFDMQSB-STQMWFEESA-N -2 0 318.329 1.339 20 0 DDADRL Cc1nn(C)cc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000746291506 700016593 /nfs/dbraw/zinc/01/65/93/700016593.db2.gz IPWSCMQDAQDGGI-UHFFFAOYSA-N -2 0 314.305 1.039 20 0 DDADRL C[C@H]1CN(C(=O)c2cc(F)c(F)c([O-])c2F)CC[C@H]1C(=O)[O-] ZINC000318984268 698708594 /nfs/dbraw/zinc/70/85/94/698708594.db2.gz JGZUAVMEDGZJSU-NKWVEPMBSA-N -2 0 317.263 1.992 20 0 DDADRL Cc1cccc(S(=O)(=O)[N-]C(=O)CC(C)(C)NC(=O)[O-])c1 ZINC000740172953 699786397 /nfs/dbraw/zinc/78/63/97/699786397.db2.gz KJNYREZUPIMSBY-UHFFFAOYSA-N -2 0 314.363 1.236 20 0 DDADRL CCCN(C)C(=O)N[C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000794917034 699835542 /nfs/dbraw/zinc/83/55/42/699835542.db2.gz SPWHVQUDKNEQLY-CYBMUJFWSA-N -2 0 322.361 1.361 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000816733432 702168886 /nfs/dbraw/zinc/16/88/86/702168886.db2.gz WLHUVRGUSGRRGZ-UHFFFAOYSA-N -2 0 321.680 1.382 20 0 DDADRL CCCCOc1ccc(C(=O)NCC(=O)[N-]OCC)c(O)c1 ZINC000846490396 703282308 /nfs/dbraw/zinc/28/23/08/703282308.db2.gz JZOGHNRMMIWKGD-UHFFFAOYSA-N -2 0 310.350 1.369 20 0 DDADRL Cc1ccccc1S(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCC1 ZINC000863952466 706045062 /nfs/dbraw/zinc/04/50/62/706045062.db2.gz XLUSUDONIOQMBF-UHFFFAOYSA-N -2 0 311.359 1.445 20 0 DDADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000863954300 706045404 /nfs/dbraw/zinc/04/54/04/706045404.db2.gz VKIBIFUDCDFWJF-ZDUSSCGKSA-N -2 0 303.380 1.266 20 0 DDADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)CCCC(F)(F)F ZINC000863956900 706046346 /nfs/dbraw/zinc/04/63/46/706046346.db2.gz IFFGNYYRHAGNMB-UHFFFAOYSA-N -2 0 319.301 1.420 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@@H]1CC2CCC1CC2 ZINC000863963646 706047537 /nfs/dbraw/zinc/04/75/37/706047537.db2.gz CTTFEKWPAHBLOI-KIDURHIOSA-N -2 0 317.407 1.368 20 0 DDADRL CS[C@H]1CC[C@@H](NS(=O)(=O)c2occc2C(=O)[O-])C1 ZINC000871994538 707273277 /nfs/dbraw/zinc/27/32/77/707273277.db2.gz XAKFOZZILIAPRA-SFYZADRCSA-N -2 0 305.377 1.540 20 0 DDADRL CC(C)O[N-]C(=O)C(C)(C)OC(C)(C)C(=O)[N-]OC(C)C ZINC000836800229 707518143 /nfs/dbraw/zinc/51/81/43/707518143.db2.gz SWJOHMPPTRUSOD-UHFFFAOYSA-N -2 0 304.387 1.473 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC000910181307 709800419 /nfs/dbraw/zinc/80/04/19/709800419.db2.gz CVTLZZUUGVRODO-IJLUTSLNSA-N -2 0 309.362 1.733 20 0 DDADRL Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc(C)c1F ZINC000910183042 709801203 /nfs/dbraw/zinc/80/12/03/709801203.db2.gz KOWFFGWUNKZVIY-JQWIXIFHSA-N -2 0 323.320 1.833 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)C2CCC3(CC3)CC2)C1 ZINC000910185116 709801498 /nfs/dbraw/zinc/80/14/98/709801498.db2.gz ZFLUKCBFPQKFBF-NEPJUHHUSA-N -2 0 309.362 1.733 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccsc1Cl ZINC000910185035 709801681 /nfs/dbraw/zinc/80/16/81/709801681.db2.gz XCASTAWHSCFWIA-POYBYMJQSA-N -2 0 317.750 1.792 20 0 DDADRL Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1F ZINC000910185408 709801843 /nfs/dbraw/zinc/80/18/43/709801843.db2.gz JDQBIASMXRJAPD-JQWIXIFHSA-N -2 0 309.293 1.524 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)C2CCC(F)(F)CC2)C1 ZINC000910191769 709804991 /nfs/dbraw/zinc/80/49/91/709804991.db2.gz LWEOLNQECGCUPY-UWVGGRQHSA-N -2 0 319.304 1.588 20 0 DDADRL Cc1ccc(CS(=O)(=O)[N-]CC(F)(F)C(=O)[O-])c(F)c1 ZINC000905999651 712216239 /nfs/dbraw/zinc/21/62/39/712216239.db2.gz MQODTHJQLAGNOP-UHFFFAOYSA-N -2 0 311.281 1.273 20 0 DDADRL C[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2[O-])[C@H]1C(=O)[O-] ZINC000906788734 712411817 /nfs/dbraw/zinc/41/18/17/712411817.db2.gz MGAXYRHWDBBNOI-GMSGAONNSA-N -2 0 319.766 1.529 20 0 DDADRL O=C([O-])[C@]1(C(=O)[N-]O[C@H]2CCCCO2)C[C@@H]1c1ccccc1 ZINC000907852494 712635988 /nfs/dbraw/zinc/63/59/88/712635988.db2.gz YJMPJTHFUVFFJB-DVOMOZLQSA-N -2 0 305.330 1.819 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2nonc2C2CC2)cc1C(=O)[O-] ZINC001184667351 744080817 /nfs/dbraw/zinc/08/08/17/744080817.db2.gz KGPGYJROPRADLJ-UHFFFAOYSA-N -2 0 323.330 1.754 20 0 DDADRL COc1ccc(NC(=O)NCCOP(=O)([O-])[O-])cc1Cl ZINC001188484771 744707730 /nfs/dbraw/zinc/70/77/30/744707730.db2.gz QSGHLCZOVXXYPV-UHFFFAOYSA-N -2 0 324.657 1.579 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cc(-c2cccs2)on1 ZINC001189193268 744840573 /nfs/dbraw/zinc/84/05/73/744840573.db2.gz BEZDTMWFXASCNK-UHFFFAOYSA-N -2 0 318.247 1.242 20 0 DDADRL Cc1cc(CNC(=O)c2ccccc2OP(=O)([O-])[O-])[nH]n1 ZINC001189900216 745048577 /nfs/dbraw/zinc/04/85/77/745048577.db2.gz VOTYSMCSZRJJLP-UHFFFAOYSA-N -2 0 311.234 1.120 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnc(Cl)cn1 ZINC001198738728 747585418 /nfs/dbraw/zinc/58/54/18/747585418.db2.gz FPFMRYRANQKQHX-UHFFFAOYSA-N -2 0 313.722 1.629 20 0 DDADRL C[C@H](O)c1ccnc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198748781 747589865 /nfs/dbraw/zinc/58/98/65/747589865.db2.gz FSMDEJPESIZZON-VIFPVBQESA-N -2 0 322.342 1.634 20 0 DDADRL Cc1cc(C(F)(F)F)nc(NCCOP(=O)([O-])[O-])n1 ZINC001168587662 751185769 /nfs/dbraw/zinc/18/57/69/751185769.db2.gz UQDPWYRCRSXLOT-UHFFFAOYSA-N -2 0 301.161 1.325 20 0 DDADRL CCOC(=O)c1cccc(NCCOP(=O)([O-])[O-])c1C ZINC001168595385 751263572 /nfs/dbraw/zinc/26/35/72/751263572.db2.gz JUJQBGUTQKIGGN-UHFFFAOYSA-N -2 0 303.251 1.693 20 0 DDADRL COc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(N)cn1 ZINC001176238917 778090016 /nfs/dbraw/zinc/09/00/16/778090016.db2.gz KXJVAQMWXTVZQT-UHFFFAOYSA-N -2 0 303.274 1.812 20 0 DDADRL O=C([N-]c1noc2nccnc12)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155171705 861797443 /nfs/dbraw/zinc/79/74/43/861797443.db2.gz WZKLGJGIZHSJPA-UHFFFAOYSA-N -2 0 315.680 1.795 20 0 DDADRL O=C(NCCCC[P@](=O)([O-])O)c1ccnc2cccnc21 ZINC001154306789 860971942 /nfs/dbraw/zinc/97/19/42/860971942.db2.gz CAQVLBNLGXRSJL-UHFFFAOYSA-N -2 0 309.262 1.318 20 0 DDADRL Cc1cccc(Cl)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001226389011 882401314 /nfs/dbraw/zinc/40/13/14/882401314.db2.gz UBTVIWPQSLRTFG-XVKPBYJWSA-N -2 0 316.693 1.090 20 0 DDADRL O=C([O-])C[C@H](C(=O)OCCCCc1ccccc1)[C@H](O)C(=O)[O-] ZINC001209833637 875140765 /nfs/dbraw/zinc/14/07/65/875140765.db2.gz ROGSGOZSHLPAJH-JSGCOSHPSA-N -2 0 324.329 1.089 20 0 DDADRL CC(C)c1cccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001223949050 881157362 /nfs/dbraw/zinc/15/73/62/881157362.db2.gz RROWFMMVGQQFQH-OCCSQVGLSA-N -2 0 324.329 1.390 20 0 DDADRL COCCOc1cnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001242163576 891358676 /nfs/dbraw/zinc/35/86/76/891358676.db2.gz AKWALCRFVRQUJV-UHFFFAOYSA-N -2 0 318.285 1.565 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccn3ccnc23)c1 ZINC001260183237 899076094 /nfs/dbraw/zinc/07/60/94/899076094.db2.gz FOAAJQPGUNRGBH-UHFFFAOYSA-N -2 0 317.326 1.833 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(CO)n2)c1 ZINC001260184637 899079193 /nfs/dbraw/zinc/07/91/93/899079193.db2.gz UTZLQGXEOOMKNN-UHFFFAOYSA-N -2 0 308.315 1.073 20 0 DDADRL Cc1nccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC001260209019 899091526 /nfs/dbraw/zinc/09/15/26/899091526.db2.gz GIUVJXUIVUROFX-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL COc1cccnc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260392937 899135058 /nfs/dbraw/zinc/13/50/58/899135058.db2.gz VKIWMXBFRGCUEF-UHFFFAOYSA-N -2 0 324.314 1.295 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c1 ZINC000092890196 185348098 /nfs/dbraw/zinc/34/80/98/185348098.db2.gz UAEPVQMWWVGZEN-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000070415761 190886716 /nfs/dbraw/zinc/88/67/16/190886716.db2.gz ZERRJPDIXJRBTE-UHFFFAOYSA-N -2 0 301.711 1.562 20 0 DDADRL C[C@@H](CCC(=O)[O-])NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000262193498 295846684 /nfs/dbraw/zinc/84/66/84/295846684.db2.gz NQUCACVCZIRHMO-VIFPVBQESA-N -2 0 314.363 1.041 20 0 DDADRL C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(Br)c(O)c1 ZINC000235169189 354331958 /nfs/dbraw/zinc/33/19/58/354331958.db2.gz YIQGUERIMCFTBV-ZCFIWIBFSA-N -2 0 302.124 1.700 20 0 DDADRL CCc1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cn1 ZINC000350804589 284262896 /nfs/dbraw/zinc/26/28/96/284262896.db2.gz YTUDYKUQESXBIB-UHFFFAOYSA-N -2 0 321.358 1.846 20 0 DDADRL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC000037744466 406992392 /nfs/dbraw/zinc/99/23/92/406992392.db2.gz NIVYPZPVQWWOPP-UHFFFAOYSA-N -2 0 301.711 1.562 20 0 DDADRL Cn1cnc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c1 ZINC000052096026 407147822 /nfs/dbraw/zinc/14/78/22/407147822.db2.gz GGFUDUGJUPEDGU-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnn(C)c2)cc1 ZINC000181768607 408037559 /nfs/dbraw/zinc/03/75/59/408037559.db2.gz UUSVFVJFAVPWRW-SNVBAGLBSA-N -2 0 323.374 1.799 20 0 DDADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000263159020 408042498 /nfs/dbraw/zinc/04/24/98/408042498.db2.gz FZIAWIKJSIROEC-RNFRBKRXSA-N -2 0 317.263 1.992 20 0 DDADRL CO[C@@H](C)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000276326502 408836555 /nfs/dbraw/zinc/83/65/55/408836555.db2.gz PUMBVQLZSZIELE-BQBZGAKWSA-N -2 0 323.317 1.365 20 0 DDADRL COc1ccc(C(=O)CSc2n[nH]c(=O)[n-]2)c2occ([O-])c21 ZINC000351649884 410131457 /nfs/dbraw/zinc/13/14/57/410131457.db2.gz LHISQCVTROXTDL-UHFFFAOYSA-N -2 0 321.314 1.069 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2cccc3c2OCO3)cc1C(=O)[O-] ZINC000359833984 410907998 /nfs/dbraw/zinc/90/79/98/410907998.db2.gz NUTFTNMPHVRPHK-UHFFFAOYSA-N -2 0 324.314 1.253 20 0 DDADRL CCC(=O)c1ccc([O-])c([N-]S(=O)(=O)CCC(=O)OC)c1 ZINC000436608857 420344639 /nfs/dbraw/zinc/34/46/39/420344639.db2.gz QTAPACIMEXBIRO-UHFFFAOYSA-N -2 0 315.347 1.290 20 0 DDADRL CCCc1nc(=NC(=O)NC2CCC(C(=O)[O-])CC2)s[n-]1 ZINC000417784922 420478479 /nfs/dbraw/zinc/47/84/79/420478479.db2.gz CRHCCFQJZGXORP-UHFFFAOYSA-N -2 0 312.395 1.677 20 0 DDADRL O=C([O-])CCCNC(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000417803283 420484401 /nfs/dbraw/zinc/48/44/01/420484401.db2.gz XRNRCNBDHOKEBR-UHFFFAOYSA-N -2 0 312.376 1.675 20 0 DDADRL Cc1ncc(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])n1C ZINC000629290766 422586548 /nfs/dbraw/zinc/58/65/48/422586548.db2.gz UFYNVGHAZUHWEV-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC000653327449 423442789 /nfs/dbraw/zinc/44/27/89/423442789.db2.gz YPJLRJNSDRAZRI-PJQZNRQZSA-N -2 0 317.341 1.917 20 0 DDADRL COc1cc(C(=O)[O-])ccc1CCN=c1[n-]c(C(C)C)no1 ZINC000649407979 423874563 /nfs/dbraw/zinc/87/45/63/423874563.db2.gz FHTJKJZPWLUXDN-UHFFFAOYSA-N -2 0 305.334 1.976 20 0 DDADRL C[C@@H](NC(=O)NC[C@H](C)C(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655882579 424691317 /nfs/dbraw/zinc/69/13/17/424691317.db2.gz JMFGSKYFTWPSRG-QCLAVDOMSA-N -2 0 300.355 1.142 20 0 DDADRL O=C([O-])[C@H](CNC(=O)NC[C@@H](C(=O)[O-])C1CCC1)C1CCC1 ZINC000665317048 424781263 /nfs/dbraw/zinc/78/12/63/424781263.db2.gz TZSSYMNPRDUZBZ-VXGBXAGGSA-N -2 0 312.366 1.287 20 0 DDADRL CC(C)(CCNC(=O)N=c1[n-]nc(-c2ccco2)s1)C(=O)[O-] ZINC000424462443 278605259 /nfs/dbraw/zinc/60/52/59/278605259.db2.gz ARHXAICSDDRPGY-UHFFFAOYSA-N -2 0 324.362 1.842 20 0 DDADRL O=C([O-])COc1cccc(/C=C/c2cc(C(=O)[O-])ncn2)c1 ZINC000534148435 303327302 /nfs/dbraw/zinc/32/73/02/303327302.db2.gz TXSKJBKJUJAKBP-SNAWJCMRSA-N -2 0 300.270 1.809 20 0 DDADRL CC[C@@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000557149794 307865347 /nfs/dbraw/zinc/86/53/47/307865347.db2.gz MLHCSXHESCWKQH-ZCFIWIBFSA-N -2 0 315.244 1.385 20 0 DDADRL COc1cccc(S(=O)(=O)N[C@](C)(C(=O)[O-])C2CC2)c1F ZINC000656179314 483998808 /nfs/dbraw/zinc/99/88/08/483998808.db2.gz DKHIVRYXOOOETQ-ZDUSSCGKSA-N -2 0 317.338 1.366 20 0 DDADRL C[C@H]1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC000663058606 484634298 /nfs/dbraw/zinc/63/42/98/484634298.db2.gz VZWKZWWZLLDQEU-GXFFZTMASA-N -2 0 321.329 1.333 20 0 DDADRL O=C([O-])CC1(NC(=O)c2ccc(C(=O)[O-])nc2)CCCCC1 ZINC000663120174 484683933 /nfs/dbraw/zinc/68/39/33/484683933.db2.gz SRYOPFJPVRXTOY-UHFFFAOYSA-N -2 0 306.318 1.687 20 0 DDADRL O=C([O-])C1(NC(=O)c2cc(F)c([O-])c(F)c2)CCOCC1 ZINC000663143994 484701203 /nfs/dbraw/zinc/70/12/03/484701203.db2.gz NVKSKVNWWVRHHS-UHFFFAOYSA-N -2 0 301.245 1.034 20 0 DDADRL CN(CC(=O)[O-])C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000739626274 597108273 /nfs/dbraw/zinc/10/82/73/597108273.db2.gz YMZSNHRAHBHPFH-UHFFFAOYSA-N -2 0 322.542 1.965 20 0 DDADRL O=C([O-])CCCCCNC(=O)c1nnc2ccccc2c1O ZINC000238167427 597153727 /nfs/dbraw/zinc/15/37/27/597153727.db2.gz KBUKHEHTQYTKRJ-UHFFFAOYSA-N -2 0 303.318 1.298 20 0 DDADRL CC(=O)Nc1ccc(O)c(C(=O)NCCCCCC(=O)[O-])c1 ZINC000817715967 597237074 /nfs/dbraw/zinc/23/70/74/597237074.db2.gz SHENRJUBHNEGBM-UHFFFAOYSA-N -2 0 308.334 1.725 20 0 DDADRL O=C([O-])c1ccc(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)cc1 ZINC000821544553 598160712 /nfs/dbraw/zinc/16/07/12/598160712.db2.gz DDLIIEYSHRYPDU-CYBMUJFWSA-N -2 0 323.312 1.417 20 0 DDADRL CC(C)c1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1 ZINC000736520275 599738828 /nfs/dbraw/zinc/73/88/28/599738828.db2.gz BMAWJSOPSCFGAM-UHFFFAOYSA-N -2 0 323.374 1.892 20 0 DDADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000739919605 599739351 /nfs/dbraw/zinc/73/93/51/599739351.db2.gz BRZCHMBMPQGULZ-UHFFFAOYSA-N -2 0 321.767 1.483 20 0 DDADRL CC/C=C(/C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736947853 599910613 /nfs/dbraw/zinc/91/06/13/599910613.db2.gz GEMAGADSTQVAFM-DAXSKMNVSA-N -2 0 303.361 1.608 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c[nH]1 ZINC000738887532 600099418 /nfs/dbraw/zinc/09/94/18/600099418.db2.gz CBZXCNXPZYUNPT-UHFFFAOYSA-N -2 0 314.298 1.748 20 0 DDADRL Cc1cc([N-]C(=O)c2nc(-c3ccc(C(=O)[O-])cc3)no2)no1 ZINC000738452735 600114719 /nfs/dbraw/zinc/11/47/19/600114719.db2.gz RVXUSDJVRHAXKZ-UHFFFAOYSA-N -2 0 314.257 1.984 20 0 DDADRL COc1cccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])c1 ZINC000738106969 600229292 /nfs/dbraw/zinc/22/92/92/600229292.db2.gz RCACULUSPBFWGZ-UHFFFAOYSA-N -2 0 311.319 1.226 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1C(=O)[O-] ZINC000738827008 600229321 /nfs/dbraw/zinc/22/93/21/600229321.db2.gz DKRRLGUJMYLQTH-UHFFFAOYSA-N -2 0 315.738 1.871 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccccc2Cl)c1C(=O)[O-] ZINC000738827062 600229332 /nfs/dbraw/zinc/22/93/32/600229332.db2.gz HFTPILXCHTUXMP-UHFFFAOYSA-N -2 0 315.738 1.871 20 0 DDADRL CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736355601 600241716 /nfs/dbraw/zinc/24/17/16/600241716.db2.gz PPSFGZNBUZOCRS-SSDOTTSWSA-N -2 0 305.377 1.543 20 0 DDADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000315972343 600576374 /nfs/dbraw/zinc/57/63/74/600576374.db2.gz NAKKCXRDUHQQQH-UHFFFAOYSA-N -2 0 323.286 1.489 20 0 DDADRL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000827213855 600679822 /nfs/dbraw/zinc/67/98/22/600679822.db2.gz UHAXKSXQASYWTO-QMMMGPOBSA-N -2 0 324.362 1.681 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)CC2CCC2)s1 ZINC000833093984 600941379 /nfs/dbraw/zinc/94/13/79/600941379.db2.gz ODDWCZYRZOCWLF-UHFFFAOYSA-N -2 0 303.361 1.441 20 0 DDADRL CC1(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CCC1 ZINC000827976852 601141259 /nfs/dbraw/zinc/14/12/59/601141259.db2.gz ZAILQJLLTWKEOB-UHFFFAOYSA-N -2 0 303.361 1.441 20 0 DDADRL CC(C)[C@@H](NC(=O)CSc1n[n-]c(=S)s1)C(=O)[O-] ZINC000817937937 601273992 /nfs/dbraw/zinc/27/39/92/601273992.db2.gz LXYYJGYKDZJXCA-ZCFIWIBFSA-N -2 0 307.422 1.144 20 0 DDADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000833347090 601603222 /nfs/dbraw/zinc/60/32/22/601603222.db2.gz UCYVIDNPNQZGPQ-UHFFFAOYSA-N -2 0 320.298 1.920 20 0 DDADRL COC[C@](C)(NC(=O)c1ccc2[n-]c(=S)oc2c1)C(=O)[O-] ZINC000831623416 601699841 /nfs/dbraw/zinc/69/98/41/601699841.db2.gz BXNCONKARBAJRE-ZDUSSCGKSA-N -2 0 310.331 1.336 20 0 DDADRL C[C@H]1CN(Cc2c([O-])nnn2-c2ccccc2)C[C@H]1C(=O)[O-] ZINC000828457711 601816914 /nfs/dbraw/zinc/81/69/14/601816914.db2.gz WXCSVNCICXGABP-CMPLNLGQSA-N -2 0 302.334 1.125 20 0 DDADRL O=C([O-])NC[C@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000740647028 601961442 /nfs/dbraw/zinc/96/14/42/601961442.db2.gz WGQADZVQDDETOQ-MRVPVSSYSA-N -2 0 308.363 1.486 20 0 DDADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000165996781 602158487 /nfs/dbraw/zinc/15/84/87/602158487.db2.gz VUTATDTXEWIQBF-UHFFFAOYSA-N -2 0 315.738 1.871 20 0 DDADRL C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1c([O-])cc(F)cc1F ZINC000739155254 602424820 /nfs/dbraw/zinc/42/48/20/602424820.db2.gz RYLBRLZZTHJWAU-ZETCQYMHSA-N -2 0 300.261 1.495 20 0 DDADRL O=C([O-])NCCCC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000739960942 602473289 /nfs/dbraw/zinc/47/32/89/602473289.db2.gz NMLMRWFDNMCBKG-UHFFFAOYSA-N -2 0 306.278 1.016 20 0 DDADRL O=C([O-])NC[C@H](C(=O)[N-]O[C@H]1CCCCO1)c1ccccc1 ZINC000832407113 602786142 /nfs/dbraw/zinc/78/61/42/602786142.db2.gz FWYLQAFHBDDHJW-STQMWFEESA-N -2 0 308.334 1.612 20 0 DDADRL CC(C)[C@@H](CNC(=O)c1c([O-])cc(F)cc1F)NC(=O)[O-] ZINC000738780936 602810338 /nfs/dbraw/zinc/81/03/38/602810338.db2.gz CDOJRIZJTHHGNX-SECBINFHSA-N -2 0 302.277 1.692 20 0 DDADRL Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)[O-])C(C)C)c1 ZINC000738743856 604373887 /nfs/dbraw/zinc/37/38/87/604373887.db2.gz FRYSTQDEZWQALY-NSHDSACASA-N -2 0 314.363 1.092 20 0 DDADRL CC1(C)C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000833557563 605117402 /nfs/dbraw/zinc/11/74/02/605117402.db2.gz ZQKUQMKUBZPCEI-NSHDSACASA-N -2 0 311.359 1.377 20 0 DDADRL CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000824176268 605279782 /nfs/dbraw/zinc/27/97/82/605279782.db2.gz KZTCJEDVWWIYRE-JTQLQIEISA-N -2 0 320.411 1.257 20 0 DDADRL O=C([O-])N[C@H](CC(=O)N[C@H](CC1CC1)C(=O)[O-])c1ccccc1 ZINC000834122423 605306888 /nfs/dbraw/zinc/30/68/88/605306888.db2.gz LLVFLXIYFJVYPO-CHWSQXEVSA-N -2 0 320.345 1.755 20 0 DDADRL CN(CCN(C)C(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000833874078 605520045 /nfs/dbraw/zinc/52/00/45/605520045.db2.gz XRHLLRGSDNXWHU-UHFFFAOYSA-N -2 0 318.333 1.260 20 0 DDADRL O=C([O-])N[C@H](C[N-]S(=O)(=O)c1c(F)cccc1F)C1CC1 ZINC000834149800 605806105 /nfs/dbraw/zinc/80/61/05/605806105.db2.gz IMVIZRRUCRPBDI-SNVBAGLBSA-N -2 0 320.317 1.289 20 0 DDADRL O=C([O-])Nc1ccc(C(=O)N[C@H]2CCc3[nH]cnc3C2)c(O)c1 ZINC000834257852 605960283 /nfs/dbraw/zinc/96/02/83/605960283.db2.gz QDDTXPNZHGPKNG-QMMMGPOBSA-N -2 0 316.317 1.493 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000834173865 606030461 /nfs/dbraw/zinc/03/04/61/606030461.db2.gz SYORQDBVHDJEOI-UPJWGTAASA-N -2 0 320.345 1.235 20 0 DDADRL O=C([O-])NC1(CC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CCC1 ZINC000834154440 606034959 /nfs/dbraw/zinc/03/49/59/606034959.db2.gz GQLQEAZGZSTJCV-JTQLQIEISA-N -2 0 310.350 1.280 20 0 DDADRL C[C@H](CC(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-])NC(=O)[O-] ZINC000833800661 606045840 /nfs/dbraw/zinc/04/58/40/606045840.db2.gz PKMQNHMHFCMDCR-VXGBXAGGSA-N -2 0 322.361 1.782 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)CN(CC2CC2)C(=O)[O-])c1 ZINC000834006619 606056290 /nfs/dbraw/zinc/05/62/90/606056290.db2.gz MPYSCSIIFIPMKE-UHFFFAOYSA-N -2 0 306.318 1.391 20 0 DDADRL O=C([O-])[C@@H](CNC(=O)CN(CC1CC1)C(=O)[O-])c1ccccc1 ZINC000834005093 606064905 /nfs/dbraw/zinc/06/49/05/606064905.db2.gz AGAOHKJLHDLUEM-ZDUSSCGKSA-N -2 0 320.345 1.361 20 0 DDADRL CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC000013028106 696052895 /nfs/dbraw/zinc/05/28/95/696052895.db2.gz XHFJSDAUIWHYSC-KWQFWETISA-N -2 0 315.347 1.162 20 0 DDADRL Cn1ncc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1C1CC1 ZINC000769867411 701259744 /nfs/dbraw/zinc/25/97/44/701259744.db2.gz AGYJBRDXWKRDQL-UHFFFAOYSA-N -2 0 310.335 1.125 20 0 DDADRL O=C([O-])Cc1ccccc1NC(=O)C(=O)[N-]OC1CCCCC1 ZINC000817880612 702507632 /nfs/dbraw/zinc/50/76/32/702507632.db2.gz ASBXUFUJCRQBSC-UHFFFAOYSA-N -2 0 320.345 1.633 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000843295747 702855648 /nfs/dbraw/zinc/85/56/48/702855648.db2.gz MXLZQTIDXWINLW-BIIVOSGPSA-N -2 0 303.302 1.500 20 0 DDADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000863954405 706045721 /nfs/dbraw/zinc/04/57/21/706045721.db2.gz XPXZNVBRYCGMTR-NSHDSACASA-N -2 0 319.423 1.760 20 0 DDADRL Cc1cc(C(=O)[O-])cc(C(=O)[N-]S(=O)(=O)C2CCCC2)c1 ZINC000863956417 706046257 /nfs/dbraw/zinc/04/62/57/706046257.db2.gz JROWIGIGXGYJJM-UHFFFAOYSA-N -2 0 311.359 1.695 20 0 DDADRL CS[C@@H]1CC[C@@H](NS(=O)(=O)c2occc2C(=O)[O-])C1 ZINC000871994536 707272957 /nfs/dbraw/zinc/27/29/57/707272957.db2.gz XAKFOZZILIAPRA-HTQZYQBOSA-N -2 0 305.377 1.540 20 0 DDADRL CCOC(=O)c1n[nH]c([C@H](C)[N-]C(=O)C(F)(F)C(F)F)n1 ZINC000912364555 711293302 /nfs/dbraw/zinc/29/33/02/711293302.db2.gz YAZQZDGAWXPFLE-BYPYZUCNSA-N -2 0 312.223 1.059 20 0 DDADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000905998734 712215846 /nfs/dbraw/zinc/21/58/46/712215846.db2.gz ASFKDFNTDGPPPT-UHFFFAOYSA-N -2 0 313.709 1.479 20 0 DDADRL CCN(Cc1ccccc1)S(=O)(=O)[N-]CC(F)(F)C(=O)[O-] ZINC000906000460 712216748 /nfs/dbraw/zinc/21/67/48/712216748.db2.gz YKMLDNAEWSFFFQ-UHFFFAOYSA-N -2 0 322.333 1.063 20 0 DDADRL CCn1cnc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC001184669448 744074574 /nfs/dbraw/zinc/07/45/74/744074574.db2.gz BHERUNQGHNTQGA-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncncc1C ZINC001185878712 744307852 /nfs/dbraw/zinc/30/78/52/744307852.db2.gz BPWQGAXFCHDTJT-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL Cc1cnn(C)c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186144550 744350062 /nfs/dbraw/zinc/35/00/62/744350062.db2.gz ZQLZPHZOFRMCCR-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])NC12CC3CC(CC(C3)C1)C2 ZINC001186699697 744436803 /nfs/dbraw/zinc/43/68/03/744436803.db2.gz PNDPITSMXMNDFG-UHFFFAOYSA-N -2 0 318.310 1.364 20 0 DDADRL CCOCCS(=O)(=O)[N-]c1ccc(Br)cc1O ZINC001187280723 744533466 /nfs/dbraw/zinc/53/34/66/744533466.db2.gz ZICSFPDJZQGLEW-UHFFFAOYSA-N -2 0 324.196 1.933 20 0 DDADRL O=S(=O)([O-])c1cccc([N-]S(=O)(=O)c2ccoc2)c1 ZINC001188606581 744726437 /nfs/dbraw/zinc/72/64/37/744726437.db2.gz GNHNSRITUHXPCD-UHFFFAOYSA-N -2 0 303.317 1.327 20 0 DDADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CC(F)(C2CC2)C1 ZINC001189860892 745003693 /nfs/dbraw/zinc/00/36/93/745003693.db2.gz OTHGUBCVYASAMC-UHFFFAOYSA-N -2 0 315.237 1.732 20 0 DDADRL Cn1ncc2c1CN(C(=O)c1ccccc1OP(=O)([O-])[O-])C2 ZINC001189877093 745013258 /nfs/dbraw/zinc/01/32/58/745013258.db2.gz FKBIIYYIWULEIU-UHFFFAOYSA-N -2 0 323.245 1.048 20 0 DDADRL O=C([O-])c1cc(C(=O)Nc2ccccc2)cc(S(=O)(=O)[O-])c1 ZINC001189914847 745030112 /nfs/dbraw/zinc/03/01/12/745030112.db2.gz SFPLSQXVHKZCGS-UHFFFAOYSA-N -2 0 321.310 1.884 20 0 DDADRL O=C(NC[C@H]1C[C@H](F)C1)c1ccccc1OP(=O)([O-])[O-] ZINC001189900077 745048469 /nfs/dbraw/zinc/04/84/69/745048469.db2.gz PDNLBJQGVXDERM-KYZUINATSA-N -2 0 303.226 1.636 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]CC(F)(F)F)c(F)cc1F ZINC001195186058 746540442 /nfs/dbraw/zinc/54/04/42/746540442.db2.gz DSFDPLLFGKJLGD-UHFFFAOYSA-N -2 0 319.207 1.504 20 0 DDADRL O=C(Nc1ccccc1-c1nn[nH]n1)c1cc(Cl)ncc1[O-] ZINC001196396065 746854372 /nfs/dbraw/zinc/85/43/72/746854372.db2.gz OAIQVYWNDFVLRG-UHFFFAOYSA-N -2 0 316.708 1.873 20 0 DDADRL CCOc1cc(NCCOP(=O)([O-])[O-])nc(SC)n1 ZINC001168587565 751183839 /nfs/dbraw/zinc/18/38/39/751183839.db2.gz RPJIIPVCKIWYMI-UHFFFAOYSA-N -2 0 309.284 1.118 20 0 DDADRL CCOC(=O)C1(CNc2ccc(P(=O)([O-])[O-])cc2)CCC1 ZINC001169561709 762508572 /nfs/dbraw/zinc/50/85/72/762508572.db2.gz NNVRSUQRKRFDCU-UHFFFAOYSA-N -2 0 313.290 1.635 20 0 DDADRL O=P([O-])([O-])c1ccc(NC[C@H](CO)Cc2ccccc2)cc1 ZINC001169902594 762743364 /nfs/dbraw/zinc/74/33/64/762743364.db2.gz CNZFCBSOQNVDOH-CQSZACIVSA-N -2 0 321.313 1.753 20 0 DDADRL Cc1cnn(CCO)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238064 778088452 /nfs/dbraw/zinc/08/84/52/778088452.db2.gz MIVDFLZPCCIKEM-UHFFFAOYSA-N -2 0 305.290 1.324 20 0 DDADRL COC(=O)c1ccnnc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176239555 778090030 /nfs/dbraw/zinc/09/00/30/778090030.db2.gz QTXPSRMNPCGOPB-UHFFFAOYSA-N -2 0 317.257 1.403 20 0 DDADRL CCOC(=O)c1nc(N)cn1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238884 778090235 /nfs/dbraw/zinc/09/02/35/778090235.db2.gz UYVROCCNSWEMOY-UHFFFAOYSA-N -2 0 319.273 1.028 20 0 DDADRL O=C([O-])Cn1cc([N-]c2nnc(Br)s2)cn1 ZINC001176264786 778111141 /nfs/dbraw/zinc/11/11/41/778111141.db2.gz WJEWWTXPESJPSX-UHFFFAOYSA-N -2 0 304.129 1.325 20 0 DDADRL C[C@H](Cc1ccccc1)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c12 ZINC001226888024 882704398 /nfs/dbraw/zinc/70/43/98/882704398.db2.gz MKOYUGQPJOQGAA-MRVPVSSYSA-N -2 0 314.301 1.547 20 0 DDADRL O=C([O-])C[C@H](C(=O)OCc1cc2ccccc2o1)[C@@H](O)C(=O)[O-] ZINC001223640165 881037197 /nfs/dbraw/zinc/03/71/97/881037197.db2.gz IWBSSMSQJJUIMJ-GXFFZTMASA-N -2 0 322.269 1.012 20 0 DDADRL CC(C)c1cccc(COC(=O)[C@H](O)COP(=O)([O-])[O-])c1 ZINC001223949281 881160486 /nfs/dbraw/zinc/16/04/86/881160486.db2.gz VGZQTBYWMOJDMW-GFCCVEGCSA-N -2 0 318.262 1.323 20 0 DDADRL O=C([O-])CC[C@@H](O)C(=O)Oc1cc(Cl)c([O-])cc1Cl ZINC001227640614 883119047 /nfs/dbraw/zinc/11/90/47/883119047.db2.gz DVAVYTBYPAHMPC-SSDOTTSWSA-N -2 0 309.101 1.830 20 0 DDADRL CC(C)CN(Cc1nnn[n-]1)C(=O)c1cc(F)cc(F)c1[O-] ZINC001363812403 887287248 /nfs/dbraw/zinc/28/72/48/887287248.db2.gz YOHAUXUIOZHPJP-UHFFFAOYSA-N -2 0 311.292 1.482 20 0 DDADRL COC(C[C@@H](C)Oc1ccc(OP(=O)([O-])[O-])cc1)OC ZINC001234331039 887869852 /nfs/dbraw/zinc/86/98/52/887869852.db2.gz BCGDIDVEZDGCIG-SECBINFHSA-N -2 0 306.251 1.934 20 0 DDADRL CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccc(C(=O)[O-])cc2)nc1 ZINC001236057146 889087006 /nfs/dbraw/zinc/08/70/06/889087006.db2.gz RWIJHVWNOHAIFS-UHFFFAOYSA-N -2 0 320.326 1.272 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3c(n2)NC(=O)CO3)c1 ZINC001242159294 891353600 /nfs/dbraw/zinc/35/36/00/891353600.db2.gz KZUCEJCLVMDTFW-UHFFFAOYSA-N -2 0 314.253 1.476 20 0 DDADRL COc1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C)n1 ZINC001260222260 899094936 /nfs/dbraw/zinc/09/49/36/899094936.db2.gz SYOPVGOVWSFASN-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL CCOc1nccnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260221694 899095939 /nfs/dbraw/zinc/09/59/39/899095939.db2.gz OOFXFTVDGZYXJH-UHFFFAOYSA-N -2 0 323.330 1.374 20 0 DDADRL CCc1nccnc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260393415 899133959 /nfs/dbraw/zinc/13/39/59/899133959.db2.gz IJUAJAAKVVRQNK-UHFFFAOYSA-N -2 0 323.330 1.244 20 0 DDADRL COc1ccnc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC001260393257 899134521 /nfs/dbraw/zinc/13/45/21/899134521.db2.gz QVGYYIPAMWOJQN-UHFFFAOYSA-N -2 0 324.314 1.295 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cn1C ZINC000087844875 185233074 /nfs/dbraw/zinc/23/30/74/185233074.db2.gz SVIRGUCJFGKHOJ-UHFFFAOYSA-N -2 0 309.347 1.156 20 0 DDADRL CCn1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 ZINC000024577287 352189855 /nfs/dbraw/zinc/18/98/55/352189855.db2.gz VHYVVXKUKPKQSH-UHFFFAOYSA-N -2 0 323.374 1.721 20 0 DDADRL O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000013469614 352148137 /nfs/dbraw/zinc/14/81/37/352148137.db2.gz XYKLOOPNRKJLAP-VHSXEESVSA-N -2 0 306.274 1.906 20 0 DDADRL COC(=O)Cc1c(C)[n-]n(-c2ccc(CC(=O)[O-])cc2)c1=O ZINC000601950954 358750270 /nfs/dbraw/zinc/75/02/70/358750270.db2.gz WDWPKYXVJRERJD-GFCCVEGCSA-N -2 0 304.302 1.216 20 0 DDADRL O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)N1CC(C(=O)[O-])C1 ZINC000621835700 365052257 /nfs/dbraw/zinc/05/22/57/365052257.db2.gz JJZWRYGGZNWBDL-ZDUSSCGKSA-N -2 0 320.345 1.189 20 0 DDADRL C[C@@H]1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000626768734 367734884 /nfs/dbraw/zinc/73/48/84/367734884.db2.gz OYDKRKLBVWVFFX-NXEZZACHSA-N -2 0 300.355 1.240 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnoc2)ccc1Cl ZINC000060393591 184148121 /nfs/dbraw/zinc/14/81/21/184148121.db2.gz RMOVGQRDLWUVCD-UHFFFAOYSA-N -2 0 302.695 1.827 20 0 DDADRL C[C@H]1CCN(C(=O)N=c2ccc(C3CC3)n[n-]2)C[C@@H]1C(=O)[O-] ZINC000568884086 304319612 /nfs/dbraw/zinc/31/96/12/304319612.db2.gz GLXIEWSYVPQBOU-ONGXEEELSA-N -2 0 304.350 1.350 20 0 DDADRL O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000029006779 406920666 /nfs/dbraw/zinc/92/06/66/406920666.db2.gz IJABJRBRUZXSIA-NXEZZACHSA-N -2 0 306.274 1.906 20 0 DDADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2c[nH]c(C)n2)c1 ZINC000112335386 407427086 /nfs/dbraw/zinc/42/70/86/407427086.db2.gz GAOZRCXTJQQTNV-UHFFFAOYSA-N -2 0 311.319 1.226 20 0 DDADRL Cc1cc(C(=O)N[C@H](C)CCC(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000151470066 407441594 /nfs/dbraw/zinc/44/15/94/407441594.db2.gz NHFSRPQQSQVTNJ-SNVBAGLBSA-N -2 0 318.377 1.887 20 0 DDADRL C[C@H](CCC[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000229517154 407664480 /nfs/dbraw/zinc/66/44/80/407664480.db2.gz QMUUWAOHKROXDD-MRVPVSSYSA-N -2 0 307.318 1.744 20 0 DDADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1 ZINC000184631417 408660450 /nfs/dbraw/zinc/66/04/50/408660450.db2.gz WWQDDMWADZQFSR-UHFFFAOYSA-N -2 0 309.347 1.963 20 0 DDADRL C[C@@H](CN(C)C(=O)c1cc(F)c([O-])c(Cl)c1)c1nnn[n-]1 ZINC000278834270 409097652 /nfs/dbraw/zinc/09/76/52/409097652.db2.gz VNLLBRVBKYPQDI-LURJTMIESA-N -2 0 313.720 1.574 20 0 DDADRL CN=c1[n-]nc(CC(=O)Nc2cc(F)cc(Cl)c2[O-])s1 ZINC000353888931 409540635 /nfs/dbraw/zinc/54/06/35/409540635.db2.gz MQDUIPHMFCZMTM-UHFFFAOYSA-N -2 0 316.745 1.681 20 0 DDADRL Cc1noc(C)c1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000353653836 411099754 /nfs/dbraw/zinc/09/97/54/411099754.db2.gz BSSALNWPVDDMPA-UHFFFAOYSA-N -2 0 315.289 1.602 20 0 DDADRL O=C([O-])c1cccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC000516926740 421579673 /nfs/dbraw/zinc/57/96/73/421579673.db2.gz JKJZPMDYLDVZNO-LLVKDONJSA-N -2 0 316.317 1.228 20 0 DDADRL CCc1ccc([N-]S(=O)(=O)c2cnc(C)n2C)c(C(=O)[O-])c1 ZINC000629288626 422585447 /nfs/dbraw/zinc/58/54/47/422585447.db2.gz CWEFEFGCPXSBGR-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)NCC1CCC1 ZINC000645951176 423261114 /nfs/dbraw/zinc/26/11/14/423261114.db2.gz GUSPJUNFPGIOLB-UHFFFAOYSA-N -2 0 317.338 1.611 20 0 DDADRL CC(C)C[C@H](CNC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)C(=O)[O-] ZINC000424429771 279152512 /nfs/dbraw/zinc/15/25/12/279152512.db2.gz KMXZXHDIHLPWOX-IJLUTSLNSA-N -2 0 314.382 1.486 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])sc1C ZINC000538093591 303381999 /nfs/dbraw/zinc/38/19/99/303381999.db2.gz FKQXSKALPRYLMA-UHFFFAOYSA-N -2 0 315.376 1.597 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccsc1 ZINC000547611717 307740828 /nfs/dbraw/zinc/74/08/28/307740828.db2.gz GUXZIIYEZCYIQV-CAHLUQPWSA-N -2 0 317.310 1.744 20 0 DDADRL C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000578135451 308440368 /nfs/dbraw/zinc/44/03/68/308440368.db2.gz FWQWIJFBHBSUTN-WRWORJQWSA-N -2 0 301.320 1.010 20 0 DDADRL CO[C@@H](CS(=O)(=O)[N-]c1ccccc1O)[C@@H]1CCOC1 ZINC000656613683 484243477 /nfs/dbraw/zinc/24/34/77/484243477.db2.gz NWXHTALHKUQWCJ-MFKMUULPSA-N -2 0 301.364 1.185 20 0 DDADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000663119756 484684312 /nfs/dbraw/zinc/68/43/12/484684312.db2.gz MSMUDSHHVUDGAA-XWCIJXRUSA-N -2 0 317.341 1.917 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)C1 ZINC000663134268 484694176 /nfs/dbraw/zinc/69/41/76/484694176.db2.gz HLLXZYIMAFWQKY-MISXGVKJSA-N -2 0 317.341 1.698 20 0 DDADRL CC(C)C[C@H](CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)CC(=O)[O-] ZINC000663139371 484698650 /nfs/dbraw/zinc/69/86/50/484698650.db2.gz BCQKPNXJUWKSIH-JQWIXIFHSA-N -2 0 301.383 1.987 20 0 DDADRL CC(C)C[C@@H](CNC(=O)NC[C@H](CC(C)C)C(=O)[O-])C(=O)[O-] ZINC000424434595 528323724 /nfs/dbraw/zinc/32/37/24/528323724.db2.gz UHIFEYBAKWCCQA-RYUDHWBXSA-N -2 0 316.398 1.779 20 0 DDADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000053200373 597313507 /nfs/dbraw/zinc/31/35/07/597313507.db2.gz CNMRGPXUUJRUGA-UHFFFAOYSA-N -2 0 310.306 1.649 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-])c(C)s1 ZINC000738478941 599800742 /nfs/dbraw/zinc/80/07/42/599800742.db2.gz FTRVOPCOZDNTKJ-UHFFFAOYSA-N -2 0 320.392 1.218 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c[nH]1 ZINC000157853864 599852041 /nfs/dbraw/zinc/85/20/41/599852041.db2.gz RCNLQFLMOHBKMR-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1sccc1C1CC1 ZINC000739696390 600462023 /nfs/dbraw/zinc/46/20/23/600462023.db2.gz UUPRBRHXZLVSAN-UHFFFAOYSA-N -2 0 317.388 1.550 20 0 DDADRL Cn1c(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc2ccccc21 ZINC000739004535 600464254 /nfs/dbraw/zinc/46/42/54/600464254.db2.gz RRNQVBNTZXCSFA-UHFFFAOYSA-N -2 0 324.358 1.103 20 0 DDADRL Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cnccc1C(=O)[O-] ZINC000316205230 600513881 /nfs/dbraw/zinc/51/38/81/600513881.db2.gz MXPLDJDYNGCLFT-UHFFFAOYSA-N -2 0 317.326 1.761 20 0 DDADRL CCc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1 ZINC000038030420 600529269 /nfs/dbraw/zinc/52/92/69/600529269.db2.gz CBDXIKYZCSZWFY-UHFFFAOYSA-N -2 0 309.347 1.331 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cc1 ZINC000736896168 600549786 /nfs/dbraw/zinc/54/97/86/600549786.db2.gz ZIJTVVQINAGEPZ-UHFFFAOYSA-N -2 0 313.375 1.881 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])no1 ZINC000037300398 601360819 /nfs/dbraw/zinc/36/08/19/601360819.db2.gz RICMXYXNERMXHT-UHFFFAOYSA-N -2 0 300.292 1.692 20 0 DDADRL O=C([O-])[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000833178166 601364894 /nfs/dbraw/zinc/36/48/94/601364894.db2.gz BOIRUMXJDAYWCK-RKDXNWHRSA-N -2 0 317.750 1.007 20 0 DDADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)C2CCCC2)s1 ZINC000833311645 601599984 /nfs/dbraw/zinc/59/99/84/601599984.db2.gz XTKFQPURLMZWEX-UHFFFAOYSA-N -2 0 303.361 1.449 20 0 DDADRL CN(C(=O)[O-])[C@@H]1CCCN(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC000739582545 602036551 /nfs/dbraw/zinc/03/65/51/602036551.db2.gz JRROCJFMOPLWMT-SECBINFHSA-N -2 0 314.288 1.885 20 0 DDADRL O=C([O-])N1CC[C@@H]([N-]S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000740505793 602569267 /nfs/dbraw/zinc/56/92/67/602569267.db2.gz DMUBDJHAFAKXNO-SSDOTTSWSA-N -2 0 324.280 1.135 20 0 DDADRL CC(C)(CNC(=O)[O-])C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000823965255 603785556 /nfs/dbraw/zinc/78/55/56/603785556.db2.gz UTFUJCJSVSFERZ-UHFFFAOYSA-N -2 0 320.411 1.307 20 0 DDADRL CCC[C@H](NC(=O)Cc1ccc(NC(=O)[O-])cc1)c1nnn[n-]1 ZINC000826742775 604002596 /nfs/dbraw/zinc/00/25/96/604002596.db2.gz DRQZGVVHELIEPF-NSHDSACASA-N -2 0 318.337 1.490 20 0 DDADRL CC(C)C[C@H](NC(=O)[O-])C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000833479559 605106648 /nfs/dbraw/zinc/10/66/48/605106648.db2.gz NEZIJOZPJSNCQS-LBPRGKRZSA-N -2 0 308.334 1.683 20 0 DDADRL CC1(CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CCCCC1 ZINC000833565141 605162064 /nfs/dbraw/zinc/16/20/64/605162064.db2.gz XOHYMRROZXRFOG-UHFFFAOYSA-N -2 0 305.396 1.658 20 0 DDADRL COC[C@@](C)(CC(=O)[O-])NC(=O)c1cccc(Cl)c1[O-] ZINC000833721733 605256794 /nfs/dbraw/zinc/25/67/94/605256794.db2.gz FPJKUTOEPLESFV-CYBMUJFWSA-N -2 0 301.726 1.655 20 0 DDADRL O=C([O-])CC[C@H]1CCCN(C(=O)CN(CC2CC2)C(=O)[O-])C1 ZINC000834060105 605309625 /nfs/dbraw/zinc/30/96/25/605309625.db2.gz NNMFJMHSICMKEB-LLVKDONJSA-N -2 0 312.366 1.480 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000834060630 605310159 /nfs/dbraw/zinc/31/01/59/605310159.db2.gz TZNURFYVHBLKTD-NWDGAFQWSA-N -2 0 312.366 1.480 20 0 DDADRL O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CN(CC1CC1)C(=O)[O-] ZINC000834057892 606030938 /nfs/dbraw/zinc/03/09/38/606030938.db2.gz ITXYHAUVTXLFLI-AGIUHOORSA-N -2 0 324.377 1.621 20 0 DDADRL O=C([O-])NC1(CC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])CCC1 ZINC000834156029 606031745 /nfs/dbraw/zinc/03/17/45/606031745.db2.gz UKAFIBNWCKLWFL-UTUOFQBUSA-N -2 0 324.377 1.811 20 0 DDADRL O=C([O-])NC[C@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000834209098 606031880 /nfs/dbraw/zinc/03/18/80/606031880.db2.gz CJXHKQXNOJJMOM-OLZOCXBDSA-N -2 0 320.345 1.361 20 0 DDADRL O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000834283951 606034848 /nfs/dbraw/zinc/03/48/48/606034848.db2.gz ZQFXYCIJYITIMF-GFCCVEGCSA-N -2 0 318.329 1.664 20 0 DDADRL O=C([O-])CN(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)C1CC1 ZINC000834066682 606048604 /nfs/dbraw/zinc/04/86/04/606048604.db2.gz VNQKZPMCDPOPFH-ZDUSSCGKSA-N -2 0 320.345 1.851 20 0 DDADRL O=C([O-])CN(C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)C1CCCCC1 ZINC000834060262 606051578 /nfs/dbraw/zinc/05/15/78/606051578.db2.gz OVJWZJUSAZDOIU-WDEREUQCSA-N -2 0 312.366 1.669 20 0 DDADRL O=C([O-])Cc1ccccc1NC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000834066921 606052717 /nfs/dbraw/zinc/05/27/17/606052717.db2.gz BWZNUBCKFQKMNV-LLVKDONJSA-N -2 0 306.318 1.785 20 0 DDADRL COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000833882974 606069239 /nfs/dbraw/zinc/06/92/39/606069239.db2.gz SBBPHEAKCGVMJM-OAHLLOKOSA-N -2 0 324.333 1.064 20 0 DDADRL O=C(CSc1n[n-]c(=S)s1)[N-]OCc1cccnc1 ZINC000747580198 700076539 /nfs/dbraw/zinc/07/65/39/700076539.db2.gz BXLRWFCDPIXYEC-UHFFFAOYSA-N -2 0 314.417 1.562 20 0 DDADRL CCCCC[C@@H](NC(=O)c1nnc2ccccc2c1O)C(=O)[O-] ZINC000236848791 697800219 /nfs/dbraw/zinc/80/02/19/697800219.db2.gz NFAMNWBFTXKGEA-GFCCVEGCSA-N -2 0 317.345 1.686 20 0 DDADRL O=C(NCCc1n[n-]c(=S)o1)c1cc(F)c([O-])c(F)c1 ZINC000779540246 698432410 /nfs/dbraw/zinc/43/24/10/698432410.db2.gz OWVZKQHHJTUCGS-UHFFFAOYSA-N -2 0 301.274 1.315 20 0 DDADRL Cc1cc(NC(=O)C(=O)[N-]OCCOC(C)C)ccc1C(=O)[O-] ZINC000817881033 702507486 /nfs/dbraw/zinc/50/74/86/702507486.db2.gz JSXPSGQTVBJVIW-UHFFFAOYSA-N -2 0 324.333 1.105 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCCOC2)c(F)cc1F ZINC000844893780 703081782 /nfs/dbraw/zinc/08/17/82/703081782.db2.gz LPXPDHJAUXSQIX-SSDOTTSWSA-N -2 0 321.301 1.120 20 0 DDADRL C[C@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccn(C)n2)cc1 ZINC000825448952 705672908 /nfs/dbraw/zinc/67/29/08/705672908.db2.gz IGSXLWSQXNDUJZ-VIFPVBQESA-N -2 0 324.362 1.550 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)cc1C ZINC000863951734 706044791 /nfs/dbraw/zinc/04/47/91/706044791.db2.gz AXZVTUJHITUYRT-UHFFFAOYSA-N -2 0 323.370 1.529 20 0 DDADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2)C1CC1 ZINC000863953474 706045560 /nfs/dbraw/zinc/04/55/60/706045560.db2.gz PVBUAGFXCHHMMO-ZDUSSCGKSA-N -2 0 323.370 1.091 20 0 DDADRL O=C([O-])[C@@H]1CSCCN1C(=O)NCc1ccc(O)c(F)c1 ZINC000909049768 712925925 /nfs/dbraw/zinc/92/59/25/712925925.db2.gz UJUCJEOJWHXKSL-JTQLQIEISA-N -2 0 314.338 1.243 20 0 DDADRL CO[C@H]1CCN(C(=O)c2ccc([O-])c(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC000909980633 709716521 /nfs/dbraw/zinc/71/65/21/709716521.db2.gz CHYIIWFRXFAWPY-GXSJLCMTSA-N -2 0 313.737 1.750 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)C2CC3(CC3(F)F)C2)C1 ZINC000910181771 709800339 /nfs/dbraw/zinc/80/03/39/709800339.db2.gz FKZOSYDZKUFMNP-ODSXBYNZSA-N -2 0 317.288 1.198 20 0 DDADRL Cc1ccccc1CCC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910189184 709803820 /nfs/dbraw/zinc/80/38/20/709803820.db2.gz QYHYJTCHXKRONW-KGLIPLIRSA-N -2 0 319.357 1.704 20 0 DDADRL O=C([O-])C[C@@H]1CCCN(C(=O)C2(C(=O)[O-])CCSCC2)C1 ZINC000901454881 710045340 /nfs/dbraw/zinc/04/53/40/710045340.db2.gz YULHGJKEKVLGPM-JTQLQIEISA-N -2 0 315.391 1.298 20 0 DDADRL C[C@@H]1CN(C(=O)C2(C(=O)[O-])CCCCCC2)CC[C@H]1C(=O)[O-] ZINC000902174912 710648559 /nfs/dbraw/zinc/64/85/59/710648559.db2.gz CGLCKNBEBUNIGT-VXGBXAGGSA-N -2 0 311.378 1.981 20 0 DDADRL CCCN(CC(F)F)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906844157 712421010 /nfs/dbraw/zinc/42/10/10/712421010.db2.gz FJXKYEILRNVKDR-UHFFFAOYSA-N -2 0 323.317 1.756 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC000907730341 712619480 /nfs/dbraw/zinc/61/94/80/712619480.db2.gz JMQSBMKRJPOAAS-OLPJOPMJSA-N -2 0 307.346 1.055 20 0 DDADRL O=C([O-])CN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])C1CC1 ZINC000908898170 712882624 /nfs/dbraw/zinc/88/26/24/712882624.db2.gz XVWPVNBVYPNFOK-UHFFFAOYSA-N -2 0 319.292 1.406 20 0 DDADRL COc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)no1 ZINC001184664286 744080326 /nfs/dbraw/zinc/08/03/26/744080326.db2.gz QAXWGUNTGVSNBI-UHFFFAOYSA-N -2 0 312.303 1.491 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccncn2)ccc1Cl ZINC001188273079 744684489 /nfs/dbraw/zinc/68/44/89/744684489.db2.gz YOWCCQADKIUXQO-UHFFFAOYSA-N -2 0 313.722 1.629 20 0 DDADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ncccc2O)cc1 ZINC001192683130 745862048 /nfs/dbraw/zinc/86/20/48/745862048.db2.gz LUQMLHRQXZIMBS-UHFFFAOYSA-N -2 0 324.314 1.051 20 0 DDADRL O=P([O-])([O-])OCCNC(=S)NCc1ccc(Cl)cc1 ZINC001197586952 747213264 /nfs/dbraw/zinc/21/32/64/747213264.db2.gz ARNDWUSOOUNDBG-UHFFFAOYSA-N -2 0 324.726 1.413 20 0 DDADRL CCOc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])no1 ZINC001198746296 747589076 /nfs/dbraw/zinc/58/90/76/747589076.db2.gz BYBKFKGPLQUZLT-UHFFFAOYSA-N -2 0 312.303 1.572 20 0 DDADRL COc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])ncc1C ZINC001198750694 747598619 /nfs/dbraw/zinc/59/86/19/747598619.db2.gz SQIWOJUFWGQTCZ-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL Cc1nc(NCCOP(=O)([O-])[O-])cc(-c2ccccc2)n1 ZINC001168588125 751192107 /nfs/dbraw/zinc/19/21/07/751192107.db2.gz ZIXVPULKYVDDJN-UHFFFAOYSA-N -2 0 309.262 1.973 20 0 DDADRL CSc1c[nH]c2ncnc(NCCOP(=O)([O-])[O-])c12 ZINC001168590172 751207294 /nfs/dbraw/zinc/20/72/94/751207294.db2.gz UDMNUTJDJZVPEP-UHFFFAOYSA-N -2 0 304.268 1.153 20 0 DDADRL CCN(CC)C(=O)c1ccc(NCCOP(=O)([O-])[O-])cc1 ZINC001168590933 751213933 /nfs/dbraw/zinc/21/39/33/751213933.db2.gz CPGQKSFLVHUDJW-UHFFFAOYSA-N -2 0 316.294 1.690 20 0 DDADRL O=C(c1ccccc1NCCOP(=O)([O-])[O-])N1CCCC1 ZINC001168590957 751214280 /nfs/dbraw/zinc/21/42/80/751214280.db2.gz DSQAPUFEPIFODT-UHFFFAOYSA-N -2 0 314.278 1.444 20 0 DDADRL Cc1cc(C)c(CNC(=O)C(F)(F)C(F)(F)C(=O)[O-])c(=O)[nH]1 ZINC001180175596 779635011 /nfs/dbraw/zinc/63/50/11/779635011.db2.gz ATUPUHRJMRRIMU-UHFFFAOYSA-N -2 0 324.230 1.375 20 0 DDADRL O=P([O-])([O-])OCCNc1nc2ncccc2nc1Cl ZINC001157790713 864143967 /nfs/dbraw/zinc/14/39/67/864143967.db2.gz DUWBGDFOABCUQS-UHFFFAOYSA-N -2 0 304.630 1.199 20 0 DDADRL Nc1nc(=O)c2sc(=O)[nH]c2n1-c1cc([S-])cc([S-])c1 ZINC001163048676 868030940 /nfs/dbraw/zinc/03/09/40/868030940.db2.gz FBMJLUFFYQYBEE-UHFFFAOYSA-N -2 0 324.412 1.950 20 0 DDADRL Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(C(C)C)c1 ZINC001229126281 883837969 /nfs/dbraw/zinc/83/79/69/883837969.db2.gz VHTPPKWDTWKCDZ-FZMZJTMJSA-N -2 0 324.329 1.560 20 0 DDADRL O=C([N-]CC1CN(Cc2ccc(O)c(F)c2F)C1)C(F)(F)F ZINC001363669910 886936693 /nfs/dbraw/zinc/93/66/93/886936693.db2.gz ALZGPSLAIIHTKB-UHFFFAOYSA-N -2 0 324.249 1.781 20 0 DDADRL CS(=O)(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1 ZINC001242161261 891355543 /nfs/dbraw/zinc/35/55/43/891355543.db2.gz WGNUPGMNAZUQPO-UHFFFAOYSA-N -2 0 321.310 1.549 20 0 DDADRL CCCc1nnc(-c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)o1 ZINC001254026174 896219444 /nfs/dbraw/zinc/21/94/44/896219444.db2.gz IWEZWIYISPFVFC-UHFFFAOYSA-N -2 0 312.303 1.634 20 0 DDADRL O=P([O-])([O-])Oc1ccccc1-c1nnc([C@@H]2CCOC2)o1 ZINC001255618043 897054152 /nfs/dbraw/zinc/05/41/52/897054152.db2.gz SUNJGWZSDVUZMG-MRVPVSSYSA-N -2 0 312.218 1.712 20 0 DDADRL O=P([O-])([O-])Oc1ccccc1-c1nnc([C@H]2CCOC2)o1 ZINC001255618050 897054394 /nfs/dbraw/zinc/05/43/94/897054394.db2.gz SUNJGWZSDVUZMG-QMMMGPOBSA-N -2 0 312.218 1.712 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccnc2CO)c1 ZINC001260184585 899078199 /nfs/dbraw/zinc/07/81/99/899078199.db2.gz RNMKPCHVVJGYMU-UHFFFAOYSA-N -2 0 308.315 1.073 20 0 DDADRL COc1cccc(O)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260227657 899100553 /nfs/dbraw/zinc/10/05/53/899100553.db2.gz RAOSICWOOUTEID-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000079478460 185173214 /nfs/dbraw/zinc/17/32/14/185173214.db2.gz NGDJJIKIHWNPLM-ZDUSSCGKSA-N -2 0 303.236 1.889 20 0 DDADRL CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1 ZINC000358491459 299171660 /nfs/dbraw/zinc/17/16/60/299171660.db2.gz KBOAVQDYGNLUQG-MRVPVSSYSA-N -2 0 324.362 1.817 20 0 DDADRL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000123917665 354035303 /nfs/dbraw/zinc/03/53/03/354035303.db2.gz FTIZWUFNDVEPHU-MRVPVSSYSA-N -2 0 307.318 1.744 20 0 DDADRL O=C([O-])CSCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000262327488 304072065 /nfs/dbraw/zinc/07/20/65/304072065.db2.gz DLURXOKPSWNLIU-AEJSXWLSSA-N -2 0 301.364 1.049 20 0 DDADRL C[C@@H]1CN(C(=O)NCc2ccc(C(=O)[O-])cc2)CC[C@@H]1C(=O)[O-] ZINC000626766777 367733622 /nfs/dbraw/zinc/73/36/22/367733622.db2.gz QSQHNLOAXDZDKW-MFKMUULPSA-N -2 0 320.345 1.637 20 0 DDADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C)c(C(=O)[O-])c1 ZINC000110988139 194377201 /nfs/dbraw/zinc/37/72/01/194377201.db2.gz VHRORLQQFPBCRL-UHFFFAOYSA-N -2 0 309.347 1.834 20 0 DDADRL CCCc1ccc([N-]S(=O)(=O)c2cn[nH]c2)c(C(=O)[O-])c1 ZINC000352604277 285169277 /nfs/dbraw/zinc/16/92/77/285169277.db2.gz VDKMMDDTRPRKGB-UHFFFAOYSA-N -2 0 309.347 1.861 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2O)c[nH]1 ZINC000360629704 299708805 /nfs/dbraw/zinc/70/88/05/299708805.db2.gz ODEQYFCSOXNIEJ-UHFFFAOYSA-N -2 0 300.267 1.358 20 0 DDADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)CCC(=O)[O-])n1 ZINC000262734299 407911837 /nfs/dbraw/zinc/91/18/37/407911837.db2.gz CVRNJDLOKDVIAT-UHFFFAOYSA-N -2 0 321.308 1.572 20 0 DDADRL CCc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cn1 ZINC000269449316 408313271 /nfs/dbraw/zinc/31/32/71/408313271.db2.gz BVXNHDKIJBZWDL-UHFFFAOYSA-N -2 0 311.319 1.439 20 0 DDADRL CC[C@](C)(CNS(=O)(=O)c1cncc(Cl)c1)C(=O)[O-] ZINC000274953880 408574521 /nfs/dbraw/zinc/57/45/21/408574521.db2.gz IIYUQPZOFXPJTI-LLVKDONJSA-N -2 0 306.771 1.514 20 0 DDADRL Cc1c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cnn1C ZINC000313926928 164012444 /nfs/dbraw/zinc/01/24/44/164012444.db2.gz BYWKTMPTKMFYDQ-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CCn1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cn1 ZINC000357022793 409802973 /nfs/dbraw/zinc/80/29/73/409802973.db2.gz UTPLMYNEGHFKBL-UHFFFAOYSA-N -2 0 309.347 1.331 20 0 DDADRL CCn1cncc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000548240670 421413771 /nfs/dbraw/zinc/41/37/71/421413771.db2.gz LZAKWJURNZOUEW-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL COc1cc(C(=O)[O-])ccc1-n1[n-]c2c(c1=O)CSCC2 ZINC000634612209 422507154 /nfs/dbraw/zinc/50/71/54/422507154.db2.gz ROHFXTNGWBBBMF-VIFPVBQESA-N -2 0 306.343 1.849 20 0 DDADRL CC(C)Oc1ccc(=NC(=O)NC[C@@H](C(=O)[O-])C(C)C)[n-]n1 ZINC000653543729 423521205 /nfs/dbraw/zinc/52/12/05/423521205.db2.gz XOHSWQXGYHYVBV-SNVBAGLBSA-N -2 0 310.354 1.164 20 0 DDADRL CCN(C(=O)c1nn(-c2ccccc2F)cc1[O-])[C@H](C)C(=O)[O-] ZINC000663124811 484688224 /nfs/dbraw/zinc/68/82/24/484688224.db2.gz RDVUUTISTXGZDK-SECBINFHSA-N -2 0 321.308 1.652 20 0 DDADRL CCCc1nc(=NC(=O)NC[C@H](CC(C)C)C(=O)[O-])s[n-]1 ZINC000424391148 528688540 /nfs/dbraw/zinc/68/85/40/528688540.db2.gz PRIUALWSSRAEOJ-VIFPVBQESA-N -2 0 314.411 1.781 20 0 DDADRL O=C([O-])Cc1ccccc1NC(=O)c1ccnc(C(=O)[O-])c1 ZINC000821539059 598195686 /nfs/dbraw/zinc/19/56/86/598195686.db2.gz PWLOGLIHJCRUGT-UHFFFAOYSA-N -2 0 300.270 1.659 20 0 DDADRL C[C@@H](CN(C)C(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC000736576082 600100239 /nfs/dbraw/zinc/10/02/39/600100239.db2.gz TVSBBPQFUHQLNN-ZETCQYMHSA-N -2 0 316.151 1.947 20 0 DDADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)C(C)(C)C ZINC000736217147 600203200 /nfs/dbraw/zinc/20/32/00/600203200.db2.gz VJBIGQHBUIIKTC-VIFPVBQESA-N -2 0 313.375 1.872 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(CN(C)C(=O)[O-])cc1 ZINC000738249380 600301316 /nfs/dbraw/zinc/30/13/16/600301316.db2.gz QAXBQHMHLBGOKP-UHFFFAOYSA-N -2 0 324.362 1.629 20 0 DDADRL CCCS(=O)(=O)[N-]C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000737035457 600510959 /nfs/dbraw/zinc/51/09/59/600510959.db2.gz KXGRRPOMRDYQLO-UHFFFAOYSA-N -2 0 324.358 1.196 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)c1cccc(C(=O)[O-])c1 ZINC000736894632 600549649 /nfs/dbraw/zinc/54/96/49/600549649.db2.gz IITJPADSJCVNQR-UHFFFAOYSA-N -2 0 313.375 1.881 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000833228714 600947474 /nfs/dbraw/zinc/94/74/74/600947474.db2.gz WBXYCQFVXXPXAE-VXGBXAGGSA-N -2 0 317.407 1.514 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)nc1 ZINC000832419564 600985899 /nfs/dbraw/zinc/98/58/99/600985899.db2.gz MZIGSSHZKQTJSM-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL CC[C@](C)(NC(=O)CSc1n[n-]c(=S)s1)C(=O)[O-] ZINC000828686302 601198979 /nfs/dbraw/zinc/19/89/79/601198979.db2.gz ZCXTUMQUGJBDQN-VIFPVBQESA-N -2 0 307.422 1.288 20 0 DDADRL CC(C)c1nc(S(=O)(=O)Oc2ccccc2CC(=O)[O-])c[nH]1 ZINC000827153138 601249430 /nfs/dbraw/zinc/24/94/30/601249430.db2.gz NKMVHJUFFULHKV-UHFFFAOYSA-N -2 0 324.358 1.928 20 0 DDADRL Cc1nnc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)s1 ZINC000123516631 601501999 /nfs/dbraw/zinc/50/19/99/601501999.db2.gz JBJVUUNASUTJCI-UHFFFAOYSA-N -2 0 313.360 1.654 20 0 DDADRL CC1CC(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000828156116 601546245 /nfs/dbraw/zinc/54/62/45/601546245.db2.gz DCQPDCCZORXHJJ-UHFFFAOYSA-N -2 0 303.361 1.297 20 0 DDADRL O=C([O-])Cc1ccccc1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000238104516 601662806 /nfs/dbraw/zinc/66/28/06/601662806.db2.gz JWQGMNCBSLKRJO-UHFFFAOYSA-N -2 0 323.308 1.803 20 0 DDADRL CC[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)C(=O)[O-] ZINC000828976652 601761805 /nfs/dbraw/zinc/76/18/05/601761805.db2.gz ZVNCHYZGTZTNGW-QMMMGPOBSA-N -2 0 307.331 1.217 20 0 DDADRL CCc1nnc([N-]S(=O)(=O)c2csnc2C(=O)[O-])s1 ZINC000830335351 601769049 /nfs/dbraw/zinc/76/90/49/601769049.db2.gz OYONFIROJVCLRM-UHFFFAOYSA-N -2 0 320.377 1.056 20 0 DDADRL COc1cccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000832563200 601830490 /nfs/dbraw/zinc/83/04/90/601830490.db2.gz WDUWDACOLWFVEW-UHFFFAOYSA-N -2 0 314.344 1.651 20 0 DDADRL C[C@@]1(C(=O)[N-]S(=O)(=O)C2CCCCC2)CCN(C(=O)[O-])C1 ZINC000825678128 604185241 /nfs/dbraw/zinc/18/52/41/604185241.db2.gz OEHQUISAKMFUEN-CYBMUJFWSA-N -2 0 318.395 1.155 20 0 DDADRL CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000826806665 604369097 /nfs/dbraw/zinc/36/90/97/604369097.db2.gz HRYPYCNIPQQKTJ-GFCCVEGCSA-N -2 0 308.334 1.935 20 0 DDADRL O=C([O-])NC1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000832176183 604641117 /nfs/dbraw/zinc/64/11/17/604641117.db2.gz URNFWUZQDRHLCR-UHFFFAOYSA-N -2 0 324.767 1.007 20 0 DDADRL CC(C)C[C@@H](NC(=O)[O-])C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000833481975 604705158 /nfs/dbraw/zinc/70/51/58/604705158.db2.gz YLEBJMKFDZZPOK-VQXHTEKXSA-N -2 0 300.355 1.428 20 0 DDADRL COc1cc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])ncn1 ZINC000833728887 605266719 /nfs/dbraw/zinc/26/67/19/605266719.db2.gz CHSNPUYSSNOQLW-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL C[C@@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000833610050 605486410 /nfs/dbraw/zinc/48/64/10/605486410.db2.gz VIJYZCSRHDAYLT-SKDRFNHKSA-N -2 0 311.359 1.626 20 0 DDADRL CN(CCCNC(=O)[O-])C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000828302470 605626326 /nfs/dbraw/zinc/62/63/26/605626326.db2.gz PKGAIEOXPGMEQN-UHFFFAOYSA-N -2 0 304.705 1.914 20 0 DDADRL CN(C(=O)CC(C)(C)NC(=O)[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC000833868615 606050838 /nfs/dbraw/zinc/05/08/38/606050838.db2.gz DIJIYQKMVRKGKD-LBPRGKRZSA-N -2 0 308.334 1.707 20 0 DDADRL O=C([O-])CC1(NC(=O)c2ccc(NC(=O)[O-])cc2)CCOCC1 ZINC000834059916 606051977 /nfs/dbraw/zinc/05/19/77/606051977.db2.gz DDTBOGINTKPTKA-UHFFFAOYSA-N -2 0 322.317 1.530 20 0 DDADRL O=C([O-])CC1(NC(=O)CN(CC2CC2)C(=O)[O-])CCCCC1 ZINC000834061713 606052856 /nfs/dbraw/zinc/05/28/56/606052856.db2.gz YLMBCSHZFHDGPG-UHFFFAOYSA-N -2 0 312.366 1.670 20 0 DDADRL O=C([O-])[C@@H](CNC(=O)[C@@H]1CCN(C(=O)[O-])C1)Cc1ccccc1 ZINC000834058888 606058347 /nfs/dbraw/zinc/05/83/47/606058347.db2.gz PFLAJMZHJHTNRW-CHWSQXEVSA-N -2 0 320.345 1.046 20 0 DDADRL O=C([O-])Cn1ccc2cc(NC(=O)C3(NC(=O)[O-])CC3)ccc21 ZINC000834066978 606059800 /nfs/dbraw/zinc/05/98/00/606059800.db2.gz CHQVFKQLZFHMFX-UHFFFAOYSA-N -2 0 317.301 1.465 20 0 DDADRL O=C([O-])[C@H](CNC(=O)[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000834019472 606065286 /nfs/dbraw/zinc/06/52/86/606065286.db2.gz ONIZEZRDVBCNBF-QWHCGFSZSA-N -2 0 320.345 1.361 20 0 DDADRL CCCCC[C@@H](NC(=O)CC1CCN(C(=O)[O-])CC1)C(=O)[O-] ZINC000833853458 606067794 /nfs/dbraw/zinc/06/77/94/606067794.db2.gz PZEQFTPPAUASGU-GFCCVEGCSA-N -2 0 314.382 1.916 20 0 DDADRL O=C(CC1CCN(C(=O)[O-])CC1)[N-]S(=O)(=O)CC1CCC1 ZINC000833986992 606091477 /nfs/dbraw/zinc/09/14/77/606091477.db2.gz CJDRIHNKXZQRCC-UHFFFAOYSA-N -2 0 318.395 1.013 20 0 DDADRL CC(C)OCCNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000137664394 696858924 /nfs/dbraw/zinc/85/89/24/696858924.db2.gz RGKAECVDISHNHF-UHFFFAOYSA-N -2 0 323.317 1.366 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cnn1C ZINC000756802023 700641497 /nfs/dbraw/zinc/64/14/97/700641497.db2.gz KOVQJFIFXHRKCI-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)C(F)F ZINC000817420473 702378200 /nfs/dbraw/zinc/37/82/00/702378200.db2.gz WBTPMOFSSQWHGY-UHFFFAOYSA-N -2 0 309.290 1.677 20 0 DDADRL CCOc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])cc1 ZINC000863952164 706044828 /nfs/dbraw/zinc/04/48/28/706044828.db2.gz MKUOBTSFYYKPBH-UHFFFAOYSA-N -2 0 315.347 1.001 20 0 DDADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000863953248 706044991 /nfs/dbraw/zinc/04/49/91/706044991.db2.gz QKOXBFNVRRGKOW-HVHJFMEUSA-N -2 0 323.370 1.604 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000863952791 706045202 /nfs/dbraw/zinc/04/52/02/706045202.db2.gz HWAIOMAOFFHCMX-AYSSICMYSA-N -2 0 323.370 1.604 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000863954912 706045924 /nfs/dbraw/zinc/04/59/24/706045924.db2.gz RJJXKSPKXOXXAW-PWSUYJOCSA-N -2 0 319.423 1.760 20 0 DDADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC=CC1 ZINC000863955504 706046322 /nfs/dbraw/zinc/04/63/22/706046322.db2.gz NTCRCDBZLMIJDT-NSHDSACASA-N -2 0 323.370 1.615 20 0 DDADRL CCc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000863960210 706046880 /nfs/dbraw/zinc/04/68/80/706046880.db2.gz KWOLCHUXDDUCBI-LBPRGKRZSA-N -2 0 311.359 1.165 20 0 DDADRL O=C([O-])CC1(C(=O)[N-]S(=O)(=O)CCC(F)(F)F)CCC1 ZINC000863960801 706047057 /nfs/dbraw/zinc/04/70/57/706047057.db2.gz DBXJOGFQEYYZMD-UHFFFAOYSA-N -2 0 317.285 1.030 20 0 DDADRL CCCCSCCC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910189137 709803963 /nfs/dbraw/zinc/80/39/63/709803963.db2.gz QSURVSJSHWFFCN-GHMZBOCLSA-N -2 0 317.407 1.686 20 0 DDADRL Cc1ccc(CC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1C ZINC000910192183 709805694 /nfs/dbraw/zinc/80/56/94/709805694.db2.gz OVXIXQWIIXMPOH-ZIAGYGMSSA-N -2 0 319.357 1.622 20 0 DDADRL O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000910443377 709944620 /nfs/dbraw/zinc/94/46/20/709944620.db2.gz RMYIYWIVKONJDW-RCOVLWMOSA-N -2 0 305.664 1.822 20 0 DDADRL O=C([O-])C[C@H]1CCCCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000901997307 710196852 /nfs/dbraw/zinc/19/68/52/710196852.db2.gz BHTGXGYLWACIHQ-GFCCVEGCSA-N -2 0 305.330 1.783 20 0 DDADRL CC[C@H](C)[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC000916110345 713442828 /nfs/dbraw/zinc/44/28/28/713442828.db2.gz XHFJSDAUIWHYSC-GZMMTYOYSA-N -2 0 315.347 1.162 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](CC)C(=O)[O-] ZINC000917721125 713511431 /nfs/dbraw/zinc/51/14/31/713511431.db2.gz XERXDGXFPOOLGL-SNVBAGLBSA-N -2 0 315.347 1.089 20 0 DDADRL O=C([O-])[C@H](CCF)NS(=O)(=O)c1cscc1C(F)F ZINC000926486392 715075516 /nfs/dbraw/zinc/07/55/16/715075516.db2.gz QPWBWFJFIJLYIZ-LURJTMIESA-N -2 0 317.310 1.777 20 0 DDADRL C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(N[C@@H]2CO[N-]C2=O)cc1 ZINC001167522542 734659964 /nfs/dbraw/zinc/65/99/64/734659964.db2.gz IKOLGPLJCBERSS-OIBJUYFYSA-N -2 0 317.267 1.268 20 0 DDADRL CCCc1cc(C(=O)NCCOP(=O)([O-])[O-])ccc1F ZINC001191993877 745660429 /nfs/dbraw/zinc/66/04/29/745660429.db2.gz RXTACSUIIWTQBL-UHFFFAOYSA-N -2 0 305.242 1.617 20 0 DDADRL CCOC(=O)c1cnc(NC(=O)c2ccc([O-])c(F)c2F)[n-]1 ZINC001192826577 745905608 /nfs/dbraw/zinc/90/56/08/745905608.db2.gz FDZWCFOYZXOCEI-UHFFFAOYSA-N -2 0 311.244 1.823 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])N[C@@H]1CCc2ccccc21 ZINC001193004596 745948574 /nfs/dbraw/zinc/94/85/74/745948574.db2.gz TVGWBOSYSJHHAK-LLVKDONJSA-N -2 0 300.251 1.082 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnco2)c(Cl)cc1F ZINC001193966008 746242869 /nfs/dbraw/zinc/24/28/69/746242869.db2.gz ZCIVFHKVGUAPQU-UHFFFAOYSA-N -2 0 321.673 1.361 20 0 DDADRL CCOC(=O)c1cnc(NC(=O)c2cc(Cl)ncc2[O-])[n-]1 ZINC001196387496 746851287 /nfs/dbraw/zinc/85/12/87/746851287.db2.gz OVEKPXNLRCCHLQ-UHFFFAOYSA-N -2 0 310.697 1.593 20 0 DDADRL CC(C)c1ccc(C(=O)NCCOP(=O)([O-])[O-])c(Cl)n1 ZINC001199704317 747957520 /nfs/dbraw/zinc/95/75/20/747957520.db2.gz STDLFTLDADBDHQ-UHFFFAOYSA-N -2 0 322.685 1.698 20 0 DDADRL O=P([O-])([O-])OCCNc1cc(Cl)nc(C(F)(F)F)n1 ZINC001168587871 751188039 /nfs/dbraw/zinc/18/80/39/751188039.db2.gz YWRIHLCSRUNLCG-UHFFFAOYSA-N -2 0 321.579 1.670 20 0 DDADRL O=P([O-])([O-])OCCNc1ccc(OC(F)(F)F)nc1 ZINC001168592500 751228025 /nfs/dbraw/zinc/22/80/25/751228025.db2.gz RWWSYZQHMOYWGC-UHFFFAOYSA-N -2 0 302.145 1.501 20 0 DDADRL COC(=O)[C@@H](Nc1ccc(P(=O)([O-])[O-])cc1)C(C)(C)C ZINC001163512248 753651244 /nfs/dbraw/zinc/65/12/44/753651244.db2.gz AKQVMSHQLQRPDH-LLVKDONJSA-N -2 0 301.279 1.489 20 0 DDADRL Cc1ncc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])nc1C ZINC001148915184 773633186 /nfs/dbraw/zinc/63/31/86/773633186.db2.gz KLVJSBDANKWQNJ-UHFFFAOYSA-N -2 0 323.330 1.298 20 0 DDADRL Nc1ccc(F)cc1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001174954448 777647154 /nfs/dbraw/zinc/64/71/54/777647154.db2.gz LBAVKZHTIXAHOO-UHFFFAOYSA-N -2 0 324.333 1.836 20 0 DDADRL COc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc(OC)n1 ZINC001176236103 778087635 /nfs/dbraw/zinc/08/76/35/778087635.db2.gz BRXJDFMASLSSCI-UHFFFAOYSA-N -2 0 319.273 1.634 20 0 DDADRL Cn1cnc2c1ncnc2Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176240195 778090167 /nfs/dbraw/zinc/09/01/67/778090167.db2.gz XJPLRQGHDYZGHK-UHFFFAOYSA-N -2 0 313.273 1.503 20 0 DDADRL Nc1c2c(nn1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1)CCCC2 ZINC001176239770 778090349 /nfs/dbraw/zinc/09/03/49/778090349.db2.gz RXEISRPDXXFLIB-UHFFFAOYSA-N -2 0 301.302 1.730 20 0 DDADRL CC(C)c1ccc(OCC(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001180544651 779822612 /nfs/dbraw/zinc/82/26/12/779822612.db2.gz CCIVACFAHHSBKH-UHFFFAOYSA-N -2 0 317.278 1.414 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cc2cccc(F)c2[nH]1 ZINC001150764483 862456695 /nfs/dbraw/zinc/45/66/95/862456695.db2.gz NUPWSPMAZYGGBF-UHFFFAOYSA-N -2 0 302.198 1.146 20 0 DDADRL O=P([O-])([O-])OCCNc1ncnc2cc(Cl)cnc21 ZINC001157792253 864145968 /nfs/dbraw/zinc/14/59/68/864145968.db2.gz ZHKRTAFUWPIZJL-UHFFFAOYSA-N -2 0 304.630 1.199 20 0 DDADRL Cc1cnc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)o1 ZINC001333973065 867202967 /nfs/dbraw/zinc/20/29/67/867202967.db2.gz RJLTVEDIBJYXPY-UHFFFAOYSA-N -2 0 301.262 1.293 20 0 DDADRL O=C([O-])c1cc(Nc2cccc(S(=O)(=O)[O-])c2)cnc1F ZINC001215109891 876567392 /nfs/dbraw/zinc/56/73/92/876567392.db2.gz QPEUICCEKZVRPN-UHFFFAOYSA-N -2 0 312.278 1.909 20 0 DDADRL O=C([O-])c1sccc1Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001215394989 876695698 /nfs/dbraw/zinc/69/56/98/876695698.db2.gz DEZPJYRHLLWJQV-UHFFFAOYSA-N -2 0 324.339 1.622 20 0 DDADRL CC[C@H](OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1ccccc1 ZINC001223704208 881068124 /nfs/dbraw/zinc/06/81/24/881068124.db2.gz FDODHUYJZCDMKP-GVXVVHGQSA-N -2 0 310.302 1.217 20 0 DDADRL O=C(c1ccc(Cl)c([O-])c1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001362588030 884161211 /nfs/dbraw/zinc/16/12/11/884161211.db2.gz WKPZQODBEQJARJ-SECBINFHSA-N -2 0 322.752 1.889 20 0 DDADRL CN1C(=O)Cc2c1ncnc2-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242160349 891354253 /nfs/dbraw/zinc/35/42/53/891354253.db2.gz ILRHFQCUVBMWON-UHFFFAOYSA-N -2 0 313.269 1.059 20 0 DDADRL CNC(=O)c1cccnc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242158899 891354468 /nfs/dbraw/zinc/35/44/68/891354468.db2.gz BOIINODRTDCMLM-UHFFFAOYSA-N -2 0 300.270 1.505 20 0 DDADRL CCOC(=O)c1ncncc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242163403 891355525 /nfs/dbraw/zinc/35/55/25/891355525.db2.gz XAXCISGDSHLVQT-UHFFFAOYSA-N -2 0 316.269 1.717 20 0 DDADRL COCCOc1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cn1 ZINC001244449035 891857143 /nfs/dbraw/zinc/85/71/43/891857143.db2.gz FKNNZCRXQDCNEB-UHFFFAOYSA-N -2 0 309.258 1.577 20 0 DDADRL CN(C)c1ccncc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000386063950 901019510 /nfs/dbraw/zinc/01/95/10/901019510.db2.gz IAKYTWOAGCYXNT-UHFFFAOYSA-N -2 0 321.358 1.647 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2ccccc2O)cc1C(=O)[O-] ZINC000348888954 539389290 /nfs/dbraw/zinc/38/92/90/539389290.db2.gz RSZSNAIFJIYWIE-UHFFFAOYSA-N -2 0 310.331 1.713 20 0 DDADRL Cc1cnccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000073472071 353252974 /nfs/dbraw/zinc/25/29/74/353252974.db2.gz YUPXBTVDXDNDNX-UHFFFAOYSA-N -2 0 311.301 1.288 20 0 DDADRL O=C([O-])Cn1cnc(=NC(=O)c2ccc(C3CCCC3)cc2)[n-]1 ZINC000622043564 365208518 /nfs/dbraw/zinc/20/85/18/365208518.db2.gz DKNCLEOOTSRQLF-UHFFFAOYSA-N -2 0 314.345 1.695 20 0 DDADRL O=C([O-])c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000351516373 284357458 /nfs/dbraw/zinc/35/74/58/284357458.db2.gz GCLRDWBGNLJYPS-CQSZACIVSA-N -2 0 313.309 1.811 20 0 DDADRL C[C@@H](CN(C)C(=O)c1cc(F)c(F)c([O-])c1F)c1nnn[n-]1 ZINC000274770415 408524460 /nfs/dbraw/zinc/52/44/60/408524460.db2.gz LZDWCPVPYPVCKX-YFKPBYRVSA-N -2 0 315.255 1.198 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cnn1C ZINC000357154935 409908620 /nfs/dbraw/zinc/90/86/20/409908620.db2.gz ZFDLYROQKJVTCO-UHFFFAOYSA-N -2 0 309.347 1.156 20 0 DDADRL Cn1cnc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)c1 ZINC000358618312 410498312 /nfs/dbraw/zinc/49/83/12/410498312.db2.gz VPQWMHZWNPYTBQ-UHFFFAOYSA-N -2 0 320.330 1.400 20 0 DDADRL COc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000435718805 420278844 /nfs/dbraw/zinc/27/88/44/420278844.db2.gz YWKNIGWBLSTYLJ-UHFFFAOYSA-N -2 0 324.358 1.841 20 0 DDADRL CCn1nccc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000471920612 420957231 /nfs/dbraw/zinc/95/72/31/420957231.db2.gz QDZUXRDPORVJRL-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL O=C(c1ccc(F)cc1[O-])N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000552015398 421567066 /nfs/dbraw/zinc/56/70/66/421567066.db2.gz PSIHQBGVSYOJPI-UHFFFAOYSA-N -2 0 306.297 1.375 20 0 DDADRL C[C@H]1OCC[C@H]1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000575992667 422355108 /nfs/dbraw/zinc/35/51/08/422355108.db2.gz FTVVWIOICZRSIS-GMSGAONNSA-N -2 0 301.320 1.010 20 0 DDADRL O=C([O-])c1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cn1 ZINC000653278810 423416522 /nfs/dbraw/zinc/41/65/22/423416522.db2.gz QMQGZUGYASAUPS-WQAKAFBOSA-N -2 0 318.329 1.638 20 0 DDADRL Cc1n[n-]c(=NC(=O)N[C@H](C(=O)[O-])C2CCCCCC2)s1 ZINC000653472326 423487455 /nfs/dbraw/zinc/48/74/55/423487455.db2.gz MOVUXLLZUQCTSE-JTQLQIEISA-N -2 0 312.395 1.814 20 0 DDADRL Cc1ccc(-c2noc(=NCC3(C(=O)[O-])CCOCC3)[n-]2)cc1 ZINC000647457861 424046635 /nfs/dbraw/zinc/04/66/35/424046635.db2.gz DDFGQNHFAKGERV-UHFFFAOYSA-N -2 0 317.345 1.760 20 0 DDADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000659764722 424232219 /nfs/dbraw/zinc/23/22/19/424232219.db2.gz MYEVSSCAZAFVER-JQWIXIFHSA-N -2 0 321.329 1.333 20 0 DDADRL CC(C)C[C@H](CNC(=O)N1CC[C@@](C)(C(=O)[O-])C1)C(=O)[O-] ZINC000424430227 279151338 /nfs/dbraw/zinc/15/13/38/279151338.db2.gz MIJXNCZOSMKIGQ-QMTHXVAHSA-N -2 0 300.355 1.240 20 0 DDADRL Cn1ncc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1C(=O)[O-] ZINC000537639606 303377455 /nfs/dbraw/zinc/37/74/55/303377455.db2.gz BIHGCHUVXHJSFK-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL CC(C)(C)CC[C@H]([N-]S(=O)(=O)CC(F)(F)F)C(=O)[O-] ZINC000563572417 307975835 /nfs/dbraw/zinc/97/58/35/307975835.db2.gz VPMXACDPMYHCCX-ZETCQYMHSA-N -2 0 305.318 1.748 20 0 DDADRL CC(C)[C@H](CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1)C(=O)[O-] ZINC000655896649 483988140 /nfs/dbraw/zinc/98/81/40/483988140.db2.gz MZLDWBMKDOGFEQ-QWRGUYRKSA-N -2 0 300.355 1.240 20 0 DDADRL CC(C)[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)C(=O)[O-] ZINC000655896808 483989483 /nfs/dbraw/zinc/98/94/83/483989483.db2.gz OHSIZFLDXFUNQP-VWYCJHECSA-N -2 0 300.355 1.095 20 0 DDADRL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000085326229 484002809 /nfs/dbraw/zinc/00/28/09/484002809.db2.gz UWOMMPQJOPXCOH-XCBNKYQSSA-N -2 0 305.302 1.496 20 0 DDADRL C[C@H](NC(=O)[C@@]1(C(=O)[O-])CC1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000663122029 484686038 /nfs/dbraw/zinc/68/60/38/484686038.db2.gz XHYAAQDGMMSXPP-UASCKYALSA-N -2 0 311.378 1.739 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000663128522 484690017 /nfs/dbraw/zinc/69/00/17/484690017.db2.gz IMMNXZJSHIJTBP-UHFFFAOYSA-N -2 0 306.318 1.497 20 0 DDADRL Cc1cn(C)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000663266743 484774103 /nfs/dbraw/zinc/77/41/03/484774103.db2.gz TUWZTSDDWYFPHO-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL CC1N=NC(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)=C1[O-] ZINC000676631207 486273059 /nfs/dbraw/zinc/27/30/59/486273059.db2.gz PAOUBAKCVPRYFN-UHFFFAOYSA-N -2 0 301.262 1.019 20 0 DDADRL CCN(CC)C(=O)N[C@@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684562155 486384208 /nfs/dbraw/zinc/38/42/08/486384208.db2.gz SRRYCWRPHSBSNX-ZDUSSCGKSA-N -2 0 322.361 1.361 20 0 DDADRL CCC(CC)(CNC(=O)N=c1nc2n([n-]1)CCCC2)C(=O)[O-] ZINC000424386105 528672295 /nfs/dbraw/zinc/67/22/95/528672295.db2.gz HJJSBSVWDVPSJU-UHFFFAOYSA-N -2 0 309.370 1.049 20 0 DDADRL CC(C)N(CC(=O)[O-])C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000820006498 598077373 /nfs/dbraw/zinc/07/73/73/598077373.db2.gz GQCNRHMFFUDYEB-UHFFFAOYSA-N -2 0 321.358 1.559 20 0 DDADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000314348753 599735045 /nfs/dbraw/zinc/73/50/45/599735045.db2.gz LEETVXPKVBIDEW-UHFFFAOYSA-N -2 0 324.314 1.737 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)o1 ZINC000315407006 599735906 /nfs/dbraw/zinc/73/59/06/599735906.db2.gz HBDZZRACHAIWMB-UHFFFAOYSA-N -2 0 324.270 1.213 20 0 DDADRL CC(C)n1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cn1 ZINC000736533360 600099176 /nfs/dbraw/zinc/09/91/76/600099176.db2.gz VOVRSYWFVDQFFG-UHFFFAOYSA-N -2 0 309.347 1.963 20 0 DDADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000079705310 600576263 /nfs/dbraw/zinc/57/62/63/600576263.db2.gz GZMDECBGBYNEMP-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL C[C@H](CS(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C(=O)[O-] ZINC000827570479 601240985 /nfs/dbraw/zinc/24/09/85/601240985.db2.gz DLSDYWJBLVBLPP-ZCFIWIBFSA-N -2 0 321.738 1.501 20 0 DDADRL Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000063476195 601326661 /nfs/dbraw/zinc/32/66/61/601326661.db2.gz VQMNDZTUAKYMFK-UHFFFAOYSA-N -2 0 314.294 1.930 20 0 DDADRL Cn1cnc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)ccc21 ZINC000833058183 601340308 /nfs/dbraw/zinc/34/03/08/601340308.db2.gz GVXIUGLKDWGULS-UHFFFAOYSA-N -2 0 321.314 1.665 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C2CC2)s1 ZINC000833324542 601364310 /nfs/dbraw/zinc/36/43/10/601364310.db2.gz GOXYVPVYALYGHT-HTQZYQBOSA-N -2 0 315.372 1.297 20 0 DDADRL Cc1cccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1O ZINC000832973354 601486227 /nfs/dbraw/zinc/48/62/27/601486227.db2.gz XYCZEDHNLLPPMT-UHFFFAOYSA-N -2 0 314.344 1.656 20 0 DDADRL C[C@@H](CS(=O)(=O)Nc1cc(F)c(F)cc1C(=O)[O-])C(=O)[O-] ZINC000827571492 601615749 /nfs/dbraw/zinc/61/57/49/601615749.db2.gz KPPZAMXKJDGAIL-YFKPBYRVSA-N -2 0 323.273 1.125 20 0 DDADRL O=C([O-])c1nscc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000833345895 602202146 /nfs/dbraw/zinc/20/21/46/602202146.db2.gz BLUMOIWTDMTKRY-SSDOTTSWSA-N -2 0 306.365 1.152 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=NC[C@H](NC(=O)[O-])C(C)C)cc1 ZINC000740105180 602781893 /nfs/dbraw/zinc/78/18/93/602781893.db2.gz GDFYXKLUXGEDPT-LBPRGKRZSA-N -2 0 304.354 1.097 20 0 DDADRL O=C([O-])NC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)C1CC1 ZINC000740612460 603069957 /nfs/dbraw/zinc/06/99/57/603069957.db2.gz JYPQDVIJWNIDJO-SNVBAGLBSA-N -2 0 320.317 1.289 20 0 DDADRL CN(C(=O)c1c([O-])cc(F)cc1F)C1CCN(C(=O)[O-])CC1 ZINC000827927565 603739534 /nfs/dbraw/zinc/73/95/34/603739534.db2.gz SBXQJTSBIVVVJH-UHFFFAOYSA-N -2 0 314.288 1.885 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1cccc2c1CCN2C(=O)[O-] ZINC000829832934 604014087 /nfs/dbraw/zinc/01/40/87/604014087.db2.gz CYWHYELMKRMSIT-UHFFFAOYSA-N -2 0 322.346 1.559 20 0 DDADRL CCCS(=O)(=O)[N-]C(=O)C[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000826944825 604417274 /nfs/dbraw/zinc/41/72/74/604417274.db2.gz JXGAXWWFWUINNX-WDEREUQCSA-N -2 0 320.411 1.259 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)nc1 ZINC000833733125 604501073 /nfs/dbraw/zinc/50/10/73/604501073.db2.gz HPMVSPXBWRFGTQ-UHFFFAOYSA-N -2 0 312.303 1.491 20 0 DDADRL O=C([O-])N1CC(NC(=O)c2cccc(Br)c2[O-])C1 ZINC000831610867 604770981 /nfs/dbraw/zinc/77/09/81/604770981.db2.gz WRBBXEUPFATDBM-UHFFFAOYSA-N -2 0 315.123 1.247 20 0 DDADRL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000833601623 605188320 /nfs/dbraw/zinc/18/83/20/605188320.db2.gz NABVJFCYFKEPHJ-UWVGGRQHSA-N -2 0 311.359 1.626 20 0 DDADRL O=C([O-])NCCOCC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000832668043 605758104 /nfs/dbraw/zinc/75/81/04/605758104.db2.gz ILHMDGKCVJLMJF-UHFFFAOYSA-N -2 0 311.319 1.339 20 0 DDADRL O=C([O-])NC[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)C1CC1 ZINC000834206654 605857427 /nfs/dbraw/zinc/85/74/27/605857427.db2.gz MEAPDQQDZFPEMF-SNVBAGLBSA-N -2 0 300.261 1.446 20 0 DDADRL O=C([O-])C[C@@H](NC(=O)[C@H]1CCN(C(=O)[O-])C1)c1ccccc1 ZINC000834061061 606029687 /nfs/dbraw/zinc/02/96/87/606029687.db2.gz NTCNSFWNGUKWIS-NWDGAFQWSA-N -2 0 306.318 1.319 20 0 DDADRL O=C([O-])C[C@H](NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1ccccc1 ZINC000834061748 606030443 /nfs/dbraw/zinc/03/04/43/606030443.db2.gz ZHEATHFDCZCOQN-AGIUHOORSA-N -2 0 320.345 1.755 20 0 DDADRL CCN(CCC(=O)[O-])C(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000833857365 606046783 /nfs/dbraw/zinc/04/67/83/606046783.db2.gz JGDKTSSVIOSZGD-NEPJUHHUSA-N -2 0 314.382 1.916 20 0 DDADRL O=C([O-])N1CC(CC(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)C1 ZINC000833988352 606049737 /nfs/dbraw/zinc/04/97/37/606049737.db2.gz SIXYNCXYGHCDJG-INIZCTEOSA-N -2 0 318.329 1.029 20 0 DDADRL C[C@H](C(=O)[O-])[C@@H](NC(=O)CCCN(C)C(=O)[O-])c1ccccc1 ZINC000833790912 606053670 /nfs/dbraw/zinc/05/36/70/606053670.db2.gz QRIQOKVVNZQDRT-SMDDNHRTSA-N -2 0 322.361 1.955 20 0 DDADRL O=C([O-])/C=C\c1ccc(NC(=O)[C@@H]2COCCN2C(=O)[O-])cc1 ZINC000834061326 606056101 /nfs/dbraw/zinc/05/61/01/606056101.db2.gz SYZBSAJYUHAXEJ-RYBZSIHZSA-N -2 0 320.301 1.102 20 0 DDADRL CC(C)C[C@@H](CNC(=O)c1ccc(CNC(=O)[O-])o1)C(=O)[O-] ZINC000833794578 606064648 /nfs/dbraw/zinc/06/46/48/606064648.db2.gz LJJHMKUOYYJHSU-VIFPVBQESA-N -2 0 312.322 1.524 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000834173594 606065778 /nfs/dbraw/zinc/06/57/78/606065778.db2.gz SMBKNIDOVQASTI-RWMBFGLXSA-N -2 0 320.345 1.407 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000834059132 606113442 /nfs/dbraw/zinc/11/34/42/606113442.db2.gz GSFFLLPUFCBRHU-LBPRGKRZSA-N -2 0 312.366 1.480 20 0 DDADRL CC(=O)[N-][N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000187170003 697542008 /nfs/dbraw/zinc/54/20/08/697542008.db2.gz LONYNLMVVUXBNM-UHFFFAOYSA-N -2 0 316.688 1.688 20 0 DDADRL CC(C)C[C@H](C)S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000776718101 698133205 /nfs/dbraw/zinc/13/32/05/698133205.db2.gz MYGQQIYLGATWGD-GXFFZTMASA-N -2 0 321.395 1.002 20 0 DDADRL COCCS(=O)(=O)[N-]c1cc(C(=O)[O-])cc2cccnc21 ZINC000821106696 704372478 /nfs/dbraw/zinc/37/24/78/704372478.db2.gz MJXSHVXAPSUTPW-UHFFFAOYSA-N -2 0 310.331 1.321 20 0 DDADRL CC(C)(C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000823766487 705313117 /nfs/dbraw/zinc/31/31/17/705313117.db2.gz OSRFFHBNCIQFOZ-ZJUUUORDSA-N -2 0 320.411 1.305 20 0 DDADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000863953348 706045370 /nfs/dbraw/zinc/04/53/70/706045370.db2.gz NZOXITAIUSDVEQ-CQSZACIVSA-N -2 0 311.359 1.134 20 0 DDADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CC1 ZINC000863955709 706046363 /nfs/dbraw/zinc/04/63/63/706046363.db2.gz VTQKFGVIJNJBCX-BXKDBHETSA-N -2 0 311.359 1.304 20 0 DDADRL O=C([O-])[C@H](NC(=O)c1ccc([O-])c(Cl)c1)C1CCOCC1 ZINC000910016264 709736831 /nfs/dbraw/zinc/73/68/31/709736831.db2.gz STUXJWYVYNJRQS-GFCCVEGCSA-N -2 0 313.737 1.655 20 0 DDADRL CN(C)c1cccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910186897 709802555 /nfs/dbraw/zinc/80/25/55/709802555.db2.gz WSBOSNUPFBKDEN-DGCLKSJQSA-N -2 0 320.345 1.143 20 0 DDADRL CC1CCC(=CC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])CC1 ZINC000910188974 709804101 /nfs/dbraw/zinc/80/41/01/709804101.db2.gz NXQKHUDLZRFDFL-SOYIIFOFSA-N -2 0 309.362 1.899 20 0 DDADRL CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000910219034 709821089 /nfs/dbraw/zinc/82/10/89/709821089.db2.gz MKLFLRRQRDRXOZ-ZDUSSCGKSA-N -2 0 317.700 1.500 20 0 DDADRL CC[C@@H](CS(=O)(=O)[N-]c1cc(C(C)=O)cc(F)c1[O-])OC ZINC000901953219 710183403 /nfs/dbraw/zinc/18/34/03/710183403.db2.gz VCIMWFPPZCSHME-JTQLQIEISA-N -2 0 319.354 1.901 20 0 DDADRL C[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C[C@@H]1F ZINC000906921032 712439393 /nfs/dbraw/zinc/43/93/93/712439393.db2.gz UBTFBOHAXOSOKD-WPRPVWTQSA-N -2 0 317.338 1.459 20 0 DDADRL O=C(CCc1cnc2ccccc2c1)NCCOP(=O)([O-])[O-] ZINC001182297725 743554975 /nfs/dbraw/zinc/55/49/75/743554975.db2.gz MUEPVPMBELPLAB-UHFFFAOYSA-N -2 0 324.273 1.393 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncs2)ccc1F ZINC001186142833 744349536 /nfs/dbraw/zinc/34/95/36/744349536.db2.gz FIPYWGFKECXCRY-UHFFFAOYSA-N -2 0 302.308 1.781 20 0 DDADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2[CH]CC=C2)c1 ZINC001187606849 744585244 /nfs/dbraw/zinc/58/52/44/744585244.db2.gz ZCIQIPPXBBCIII-VIFPVBQESA-N -2 0 300.743 1.849 20 0 DDADRL O=C(NCCCC[P@](=O)([O-])O)c1cc(C(F)(F)F)c[nH]1 ZINC001187704271 744594445 /nfs/dbraw/zinc/59/44/45/744594445.db2.gz XUMVZZZPDVVJOM-UHFFFAOYSA-N -2 0 314.200 1.721 20 0 DDADRL O=c1ccn(-c2ccc([N-]S(=O)(=O)c3ncc[nH]3)cc2)[n-]1 ZINC001190736618 745313183 /nfs/dbraw/zinc/31/31/83/745313183.db2.gz FUJHHLDEUYKIRE-UHFFFAOYSA-N -2 0 305.319 1.102 20 0 DDADRL Cc1nocc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192109603 745692134 /nfs/dbraw/zinc/69/21/34/745692134.db2.gz HDHDHQWRSKEXGC-UHFFFAOYSA-N -2 0 310.331 1.801 20 0 DDADRL CC(C)c1cccc(S(=O)(=O)NCCOP(=O)([O-])[O-])c1 ZINC001195170973 746544795 /nfs/dbraw/zinc/54/47/95/746544795.db2.gz KSZIKFJZGWXBQG-UHFFFAOYSA-N -2 0 323.307 1.198 20 0 DDADRL CCOC([O-])=NC(=S)N=c1[nH]c(N(C)C)nc([O-])c1N=O ZINC001195459022 746606252 /nfs/dbraw/zinc/60/62/52/746606252.db2.gz WPQOLELWBFVANS-UHFFFAOYSA-N -2 0 314.327 1.089 20 0 DDADRL CC(C)(C)OC(=O)c1cccc(NCCOP(=O)([O-])[O-])n1 ZINC001168589407 751201281 /nfs/dbraw/zinc/20/12/81/751201281.db2.gz JQGHVTMFUIEJJR-UHFFFAOYSA-N -2 0 318.266 1.558 20 0 DDADRL C[Si](C)(C)c1c(F)cccc1NCCOP(=O)([O-])[O-] ZINC001168592194 751227435 /nfs/dbraw/zinc/22/74/35/751227435.db2.gz MLNFAEFODAIWDB-UHFFFAOYSA-N -2 0 307.334 1.892 20 0 DDADRL O=P([O-])([O-])OCCNc1cc(F)cc2ncnc(Cl)c21 ZINC001157791159 864144067 /nfs/dbraw/zinc/14/40/67/864144067.db2.gz KKNHTFXWELZNTA-UHFFFAOYSA-N -2 0 321.632 1.944 20 0 DDADRL O=P([O-])([O-])OCCNc1c(F)ccc2c(Cl)ncnc21 ZINC001157795709 864149687 /nfs/dbraw/zinc/14/96/87/864149687.db2.gz RWECMZGTQVJLST-UHFFFAOYSA-N -2 0 321.632 1.944 20 0 DDADRL O=C([O-])C[C@H](C(=O)Oc1cccc(C(F)F)c1)[C@@H](O)C(=O)[O-] ZINC001225544321 881896703 /nfs/dbraw/zinc/89/67/03/881896703.db2.gz SKUAUWBFXDJJPY-WCBMZHEXSA-N -2 0 318.228 1.066 20 0 DDADRL Cc1c(Cl)cccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225923349 882112918 /nfs/dbraw/zinc/11/29/18/882112918.db2.gz WYJQODSIQPINOB-WRWORJQWSA-N -2 0 316.693 1.090 20 0 DDADRL O=C([O-])C[C@H](C(=O)Oc1ccc2c(c1)CCCC2)[C@H](O)C(=O)[O-] ZINC001226760886 882637022 /nfs/dbraw/zinc/63/70/22/882637022.db2.gz OYKBLINJGUSHML-JSGCOSHPSA-N -2 0 322.313 1.007 20 0 DDADRL O=P([O-])([O-])Oc1ccc(O[C@@H]2CCc3nccn3C2)cc1 ZINC001234337031 887883256 /nfs/dbraw/zinc/88/32/56/887883256.db2.gz WFOPJAQVOOFRNA-GFCCVEGCSA-N -2 0 310.246 1.748 20 0 DDADRL COC(=O)c1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242159787 891354154 /nfs/dbraw/zinc/35/41/54/891354154.db2.gz RAVTVBAEKYZPBZ-UHFFFAOYSA-N -2 0 301.254 1.932 20 0 DDADRL COC(=O)c1nccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242160551 891356087 /nfs/dbraw/zinc/35/60/87/891356087.db2.gz NTHXVZGZRHPDFQ-UHFFFAOYSA-N -2 0 302.242 1.327 20 0 DDADRL Cc1ncnc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260221985 899094843 /nfs/dbraw/zinc/09/48/43/899094843.db2.gz FCUIGBLWZGPUDQ-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL CCC(CC)(CNC(=O)NC1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC000424401320 282099214 /nfs/dbraw/zinc/09/92/14/282099214.db2.gz ZMRDZRFJVKIVNP-UHFFFAOYSA-N -2 0 314.382 1.820 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2cccc3c2CCO3)cc1C(=O)[O-] ZINC000358491291 299171568 /nfs/dbraw/zinc/17/15/68/299171568.db2.gz JLMOIVYQQGCYAN-UHFFFAOYSA-N -2 0 322.342 1.459 20 0 DDADRL N#Cc1ccc(S(=O)(=O)NC[C@H](CC2CC2)C(=O)[O-])s1 ZINC000405414173 354678754 /nfs/dbraw/zinc/67/87/54/354678754.db2.gz VQHCYHNIJZMFDZ-VIFPVBQESA-N -2 0 314.388 1.399 20 0 DDADRL O=C([O-])CCCCCNC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000414627939 304047076 /nfs/dbraw/zinc/04/70/76/304047076.db2.gz NZLXAQFCVALRNP-XHDPSFHLSA-N -2 0 312.366 1.528 20 0 DDADRL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000285276141 218362932 /nfs/dbraw/zinc/36/29/32/218362932.db2.gz YVTKABAYWUJWPS-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL CC(C)Oc1ccc(=NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)[n-]n1 ZINC000567879409 304251116 /nfs/dbraw/zinc/25/11/16/304251116.db2.gz SNJJYRRHVXDECR-GHMZBOCLSA-N -2 0 322.365 1.260 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c[nH]1 ZINC000070419047 406815539 /nfs/dbraw/zinc/81/55/39/406815539.db2.gz GMQQFSXDUNHSOZ-UHFFFAOYSA-N -2 0 315.738 1.871 20 0 DDADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000091022064 407174464 /nfs/dbraw/zinc/17/44/64/407174464.db2.gz PZPXUGPGDVOUJG-UHFFFAOYSA-N -2 0 315.376 1.543 20 0 DDADRL O=C([O-])[C@H](C[N-]S(=O)(=O)c1c(F)cccc1F)CC1CC1 ZINC000405682317 418776431 /nfs/dbraw/zinc/77/64/31/418776431.db2.gz MLEWRCBPRAVULP-VIFPVBQESA-N -2 0 319.329 1.744 20 0 DDADRL Cc1oncc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000433803872 229236993 /nfs/dbraw/zinc/23/69/93/229236993.db2.gz WLLYHNLQKNTANZ-UHFFFAOYSA-N -2 0 310.331 1.801 20 0 DDADRL C[C@@H](CN(C)C(=O)N=c1[n-]nc(-c2ccccc2)s1)C(=O)[O-] ZINC000417733774 420463349 /nfs/dbraw/zinc/46/33/49/420463349.db2.gz QPVOVWATVHTEHB-VIFPVBQESA-N -2 0 320.374 1.811 20 0 DDADRL COC[C@@H](C)S(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000547544482 421342056 /nfs/dbraw/zinc/34/20/56/421342056.db2.gz HMNVNTHOPOTKMU-SSDOTTSWSA-N -2 0 318.307 1.070 20 0 DDADRL N#Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)c(F)c1 ZINC000547617400 421347720 /nfs/dbraw/zinc/34/77/20/421347720.db2.gz NRQIZIATXPGOKB-ZJUUUORDSA-N -2 0 310.306 1.005 20 0 DDADRL O=C([O-])c1ccc(NS(=O)(=O)c2ccccc2)cc1C(=O)[O-] ZINC000547871038 421376554 /nfs/dbraw/zinc/37/65/54/421376554.db2.gz WCHMHVMWFGMKCM-UHFFFAOYSA-N -2 0 321.310 1.884 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000548576661 421451122 /nfs/dbraw/zinc/45/11/22/421451122.db2.gz QCCVCXKBWMDEHE-ZWNOBZJWSA-N -2 0 321.395 1.004 20 0 DDADRL C[C@@H]([C@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-])C1CC1 ZINC000548866744 421481111 /nfs/dbraw/zinc/48/11/11/421481111.db2.gz SIAWUJBMZHOQQN-JKMUOGBPSA-N -2 0 303.302 1.356 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000653323945 423441352 /nfs/dbraw/zinc/44/13/52/423441352.db2.gz AWAKMTYHBGDARB-LRDDRELGSA-N -2 0 307.346 1.502 20 0 DDADRL CCCCc1n[n-]c(=NC(=O)c2ccc(C(=O)[O-])cn2)s1 ZINC000642207140 424130216 /nfs/dbraw/zinc/13/02/16/424130216.db2.gz KQAUOSSCVXDCKF-UHFFFAOYSA-N -2 0 306.347 1.648 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000263419885 280291389 /nfs/dbraw/zinc/29/13/89/280291389.db2.gz KWWSKPBYCCELBL-BDAKNGLRSA-N -2 0 324.299 1.155 20 0 DDADRL COCc1n[n-]c(=NCc2ccc(C(=O)[O-])c(OC)c2)s1 ZINC000565483243 308032349 /nfs/dbraw/zinc/03/23/49/308032349.db2.gz FVTJNKZBZUJGSO-UHFFFAOYSA-N -2 0 309.347 1.425 20 0 DDADRL O=C([O-])[C@@H](CCF)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000656163092 483987514 /nfs/dbraw/zinc/98/75/14/483987514.db2.gz NKCVTTXKEMCEMM-MRVPVSSYSA-N -2 0 315.244 1.195 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000085344808 484003976 /nfs/dbraw/zinc/00/39/76/484003976.db2.gz NMBKZTWAWIUZLB-LLVKDONJSA-N -2 0 315.347 1.081 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=NC[C@H](C(=O)[O-])C2CCC2)cc1 ZINC000662901129 484532547 /nfs/dbraw/zinc/53/25/47/484532547.db2.gz DMXUQMXPAWFQPE-ZDUSSCGKSA-N -2 0 301.350 1.305 20 0 DDADRL C[C@H](NC(=O)[C@]1(C(=O)[O-])CC1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000663122026 484685988 /nfs/dbraw/zinc/68/59/88/484685988.db2.gz XHYAAQDGMMSXPP-DGIRIXITSA-N -2 0 311.378 1.739 20 0 DDADRL O=C([O-])Cn1ccc(NC(=O)C2(C(=O)[O-])CCCCCC2)n1 ZINC000663145685 484702665 /nfs/dbraw/zinc/70/26/65/484702665.db2.gz YEPXKUKJEQSHJC-UHFFFAOYSA-N -2 0 309.322 1.331 20 0 DDADRL CC1(CS(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])CCCCC1 ZINC000681562765 486456931 /nfs/dbraw/zinc/45/69/31/486456931.db2.gz CWNQVYYUMOSUAK-SNVBAGLBSA-N -2 0 321.395 1.194 20 0 DDADRL CCSc1n[n-]c(=NC(=O)N(C)C[C@H](C)C(=O)[O-])s1 ZINC000417728503 529259396 /nfs/dbraw/zinc/25/93/96/529259396.db2.gz MOKPGZRBQXETBH-LURJTMIESA-N -2 0 304.397 1.256 20 0 DDADRL CCCn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cn1 ZINC000743262905 600686088 /nfs/dbraw/zinc/68/60/88/600686088.db2.gz DBEIBMSCHXEIMF-UHFFFAOYSA-N -2 0 309.347 1.792 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)nc1 ZINC000832419270 600985921 /nfs/dbraw/zinc/98/59/21/600985921.db2.gz GDQDDLPOMMSXFF-UHFFFAOYSA-N -2 0 314.344 1.651 20 0 DDADRL CCn1nccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000737920765 601358338 /nfs/dbraw/zinc/35/83/38/601358338.db2.gz GHKOWARRZHYLSB-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL O=C([O-])C[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])C1CC1 ZINC000833199813 601563376 /nfs/dbraw/zinc/56/33/76/601563376.db2.gz FTLQDKLCISWEBS-LBPRGKRZSA-N -2 0 315.329 1.561 20 0 DDADRL O=C([O-])C[C@@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)CCO1 ZINC000833219486 601739533 /nfs/dbraw/zinc/73/95/33/601739533.db2.gz OQXKDIQGURNQNU-SECBINFHSA-N -2 0 322.342 1.432 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)c1C(=O)[O-] ZINC000832990780 601851935 /nfs/dbraw/zinc/85/19/35/601851935.db2.gz HPBMRAIJDHKMBV-UHFFFAOYSA-N -2 0 313.339 1.064 20 0 DDADRL C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)[N-]O[C@H]1CCCCO1 ZINC000739206056 603125691 /nfs/dbraw/zinc/12/56/91/603125691.db2.gz XOAVSRXYFRDGJP-GUBZILKMSA-N -2 0 302.327 1.064 20 0 DDADRL O=C([O-])N1CCC[C@@H](NC(=O)c2c([O-])cc(F)cc2F)C1 ZINC000739386899 603274643 /nfs/dbraw/zinc/27/46/43/603274643.db2.gz JWQABBMKSWGINX-MRVPVSSYSA-N -2 0 300.261 1.543 20 0 DDADRL C[C@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cn(C)cn2)cc1 ZINC000825449404 603402151 /nfs/dbraw/zinc/40/21/51/603402151.db2.gz PSPQEVUJBRFPSJ-VIFPVBQESA-N -2 0 324.362 1.550 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000826576729 603447835 /nfs/dbraw/zinc/44/78/35/603447835.db2.gz ZPIXGCFPFRKMDB-BDAKNGLRSA-N -2 0 306.384 1.057 20 0 DDADRL CN(CCCNC(=O)c1ccc2[n-]c(=S)oc2c1)C(=O)[O-] ZINC000828302666 603670814 /nfs/dbraw/zinc/67/08/14/603670814.db2.gz SGVGADXRUPPJEY-UHFFFAOYSA-N -2 0 309.347 1.846 20 0 DDADRL O=C([O-])N1CCC[C@@H]1CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000831645268 603770495 /nfs/dbraw/zinc/77/04/95/603770495.db2.gz BDUREGVELAMOCC-SECBINFHSA-N -2 0 321.358 1.989 20 0 DDADRL CCCS(=O)(=O)[N-]C(=O)C[C@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000826944824 604417388 /nfs/dbraw/zinc/41/73/88/604417388.db2.gz JXGAXWWFWUINNX-QWRGUYRKSA-N -2 0 320.411 1.259 20 0 DDADRL CN(CC(=O)[N-]OCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000833692483 604880717 /nfs/dbraw/zinc/88/07/17/604880717.db2.gz QGEGRFSHMRTNEX-UHFFFAOYSA-N -2 0 306.240 1.863 20 0 DDADRL Cc1cc(F)ccc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000832889014 604938847 /nfs/dbraw/zinc/93/88/47/604938847.db2.gz BAISBHBSWVJIRY-UHFFFAOYSA-N -2 0 303.311 1.059 20 0 DDADRL Cc1ccc(F)c(NS(=O)(=O)C[C@H](C)C(=O)[O-])c1C(=O)[O-] ZINC000833749381 604944281 /nfs/dbraw/zinc/94/42/81/604944281.db2.gz IFESMXJQVHYASX-ZETCQYMHSA-N -2 0 319.310 1.295 20 0 DDADRL CC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000827524922 605249830 /nfs/dbraw/zinc/24/98/30/605249830.db2.gz TYSLJASCQOQLJV-KOLCDFICSA-N -2 0 314.363 1.240 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)c(C(=O)[O-])[nH]1 ZINC000833747485 605596788 /nfs/dbraw/zinc/59/67/88/605596788.db2.gz ZWZDJSKYDLZYFC-UHFFFAOYSA-N -2 0 324.362 1.355 20 0 DDADRL O=C(CN(C(=O)[O-])c1ccccc1)[N-]OCc1cccnc1 ZINC000834003180 605664607 /nfs/dbraw/zinc/66/46/07/605664607.db2.gz DFEOVCRGYZXJMJ-UHFFFAOYSA-N -2 0 301.302 1.814 20 0 DDADRL C[C@H](CNC(=O)[O-])CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000833807545 605825490 /nfs/dbraw/zinc/82/54/90/605825490.db2.gz VOAYBCKAESJQIR-ZETCQYMHSA-N -2 0 309.347 1.750 20 0 DDADRL O=C([O-])NCCCCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000834233985 605908116 /nfs/dbraw/zinc/90/81/16/605908116.db2.gz HDDLKVULNXSUDK-UHFFFAOYSA-N -2 0 318.326 1.069 20 0 DDADRL O=C([O-])C[C@@H](NC(=O)CCCNC(=O)[O-])c1ccc(F)cc1 ZINC000834060255 606030800 /nfs/dbraw/zinc/03/08/00/606030800.db2.gz HDPALLZFOUCMKW-LLVKDONJSA-N -2 0 312.297 1.506 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CC1CN(C(=O)[O-])C1 ZINC000834058448 606031039 /nfs/dbraw/zinc/03/10/39/606031039.db2.gz NCQYYTPVEOIQGH-TUAOUCFPSA-N -2 0 310.350 1.231 20 0 DDADRL O=C([O-])CN(C(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-])C1CC1 ZINC000834066422 606047674 /nfs/dbraw/zinc/04/76/74/606047674.db2.gz UBYBOGCSPAUXPM-GFCCVEGCSA-N -2 0 320.345 1.331 20 0 DDADRL O=C([O-])NCCCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000834229346 606048880 /nfs/dbraw/zinc/04/88/80/606048880.db2.gz FPGNUOANDBBTTL-GFCCVEGCSA-N -2 0 306.318 1.072 20 0 DDADRL O=C([O-])C[C@H](NC(=O)C[C@@H](NC(=O)[O-])c1ccccc1)C1CC1 ZINC000834061173 606054773 /nfs/dbraw/zinc/05/47/73/606054773.db2.gz PUFDRUZXLUZVRT-OLZOCXBDSA-N -2 0 320.345 1.755 20 0 DDADRL Cc1oc(CN(C)C(=O)[C@H]2CCCCN2C(=O)[O-])cc1C(=O)[O-] ZINC000833934826 606055273 /nfs/dbraw/zinc/05/52/73/606055273.db2.gz NRWOLGMHVJSUQO-GFCCVEGCSA-N -2 0 324.333 1.777 20 0 DDADRL O=C([O-])Nc1cnc(C(=O)NCc2ccc(O)c(F)c2)cn1 ZINC000834277251 606060801 /nfs/dbraw/zinc/06/08/01/606060801.db2.gz WLZPAURXAQYTOD-UHFFFAOYSA-N -2 0 306.253 1.341 20 0 DDADRL COc1ccc2c(ccn2CC(=O)[N-]OC[C@@H](C)NC(=O)[O-])c1 ZINC000833890714 606068044 /nfs/dbraw/zinc/06/80/44/606068044.db2.gz AITUSGWSDOIWCB-SNVBAGLBSA-N -2 0 321.333 1.354 20 0 DDADRL O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000834018766 606069437 /nfs/dbraw/zinc/06/94/37/606069437.db2.gz CLBKZMAOBPQSAX-QJPTWQEYSA-N -2 0 312.366 1.526 20 0 DDADRL COc1cc([N-]S(=O)(=O)C(F)F)c(C(=O)[O-])cc1OC ZINC000021811839 696075186 /nfs/dbraw/zinc/07/51/86/696075186.db2.gz XVOIHRVQRQXPJE-UHFFFAOYSA-N -2 0 311.262 1.366 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cc1C(=O)[O-] ZINC000317403298 698698210 /nfs/dbraw/zinc/69/82/10/698698210.db2.gz OCEAKLDPHQKWGA-UHFFFAOYSA-N -2 0 323.305 1.535 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)nc2)cc1F ZINC000385163247 699074459 /nfs/dbraw/zinc/07/44/59/699074459.db2.gz CEOGARGUFWYMDJ-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(F)(F)F ZINC000389362245 699088725 /nfs/dbraw/zinc/08/87/25/699088725.db2.gz SSFMVKJORHPACN-RXMQYKEDSA-N -2 0 315.244 1.753 20 0 DDADRL CCCN(C)C(=O)N[C@@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000794917036 699835387 /nfs/dbraw/zinc/83/53/87/699835387.db2.gz SPWHVQUDKNEQLY-ZDUSSCGKSA-N -2 0 322.361 1.361 20 0 DDADRL O=C([O-])c1ccccc1NC(=O)C(=O)[N-]OC1CCCCC1 ZINC000817880824 702507263 /nfs/dbraw/zinc/50/72/63/702507263.db2.gz IJQLXGNBMMWRCB-UHFFFAOYSA-N -2 0 306.318 1.704 20 0 DDADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)CCC1 ZINC000863952641 706044973 /nfs/dbraw/zinc/04/49/73/706044973.db2.gz BBMAIVGGYVRWJC-UHFFFAOYSA-N -2 0 319.285 1.025 20 0 DDADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)Cc2ccccc2)CC=CC1 ZINC000863952668 706045079 /nfs/dbraw/zinc/04/50/79/706045079.db2.gz BYRXZMYOOKJNHS-UHFFFAOYSA-N -2 0 309.343 1.054 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000863953263 706045450 /nfs/dbraw/zinc/04/54/50/706045450.db2.gz QQAJRRJJGVBWPR-IDVQTMNDSA-N -2 0 311.359 1.460 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000863954599 706045939 /nfs/dbraw/zinc/04/59/39/706045939.db2.gz GNWOIYFSGOHDRK-ZJUUUORDSA-N -2 0 307.412 1.616 20 0 DDADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000863964526 706047742 /nfs/dbraw/zinc/04/77/42/706047742.db2.gz VQZJTEDTWILQOJ-YCWTYVPXSA-N -2 0 315.391 1.122 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1C(=O)[O-] ZINC000833052805 707000041 /nfs/dbraw/zinc/00/00/41/707000041.db2.gz KAIIDCMOJWJGNI-UHFFFAOYSA-N -2 0 322.342 1.554 20 0 DDADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]OCc1ccccn1 ZINC000909542201 709508435 /nfs/dbraw/zinc/50/84/35/709508435.db2.gz RTTFMAPIZSPXNA-UHFFFAOYSA-N -2 0 305.256 1.087 20 0 DDADRL Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1C ZINC000910185847 709802114 /nfs/dbraw/zinc/80/21/14/709802114.db2.gz LOKMMAOSXIBYED-OLZOCXBDSA-N -2 0 305.330 1.693 20 0 DDADRL CCc1ccccc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910191460 709804949 /nfs/dbraw/zinc/80/49/49/709804949.db2.gz JQOPMIOTJOTXJB-AAEUAGOBSA-N -2 0 305.330 1.639 20 0 DDADRL O=C([O-])[C@H]1C[C@@H]2C[C@H](N=c3nn[n-]n3Cc3ccccc3)[C@@H]2C1 ZINC000910387390 709919010 /nfs/dbraw/zinc/91/90/10/709919010.db2.gz YJRRVKUIZQIWNL-RQJABVFESA-N -2 0 313.361 1.055 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CC(=O)[O-])C1CCCC1 ZINC000906005787 712218811 /nfs/dbraw/zinc/21/88/11/712218811.db2.gz VJEGWNLYGQHJIK-IONNQARKSA-N -2 0 317.329 1.890 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000907732143 712619768 /nfs/dbraw/zinc/61/97/68/712619768.db2.gz SMAPSRDGJXEBJX-OBPIAQAESA-N -2 0 309.362 1.589 20 0 DDADRL O=C(C[C@@H]1CCc2ccc(F)cc21)NCCOP(=O)([O-])[O-] ZINC001182596073 743673605 /nfs/dbraw/zinc/67/36/05/743673605.db2.gz PLGYIIDKDIMFKV-JTQLQIEISA-N -2 0 317.253 1.471 20 0 DDADRL O=c1cc(NS(=O)(=O)c2cccnc2Cl)nc(Cl)[n-]1 ZINC001184836088 744111342 /nfs/dbraw/zinc/11/13/42/744111342.db2.gz MMACXISJRQCNHE-UHFFFAOYSA-N -2 0 321.145 1.685 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nonc1C1CC1 ZINC001185879252 744307771 /nfs/dbraw/zinc/30/77/71/744307771.db2.gz KQQQJKKMAVIKNY-UHFFFAOYSA-N -2 0 323.330 1.754 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)ncn1C ZINC001186150608 744351543 /nfs/dbraw/zinc/35/15/43/744351543.db2.gz JATYVZHJPPESHF-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL O=C(Nc1cncc(O)c1)c1ccccc1OP(=O)([O-])[O-] ZINC001189860610 745003464 /nfs/dbraw/zinc/00/34/64/745003464.db2.gz KUFOGROPPWZEGX-UHFFFAOYSA-N -2 0 310.202 1.511 20 0 DDADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1Cc2cncnc2C1 ZINC001189860609 745003755 /nfs/dbraw/zinc/00/37/55/745003755.db2.gz KPFNDNVOMACDJQ-UHFFFAOYSA-N -2 0 321.229 1.104 20 0 DDADRL COc1ccc(NC(=S)NCCOP(=O)([O-])[O-])cc1 ZINC001195720939 746685692 /nfs/dbraw/zinc/68/56/92/746685692.db2.gz SBRUYJWOPZRBFM-UHFFFAOYSA-N -2 0 306.280 1.091 20 0 DDADRL O=P([O-])([O-])OCCNC(=S)NCc1cccc(Cl)c1 ZINC001195992314 746762575 /nfs/dbraw/zinc/76/25/75/746762575.db2.gz LYDFYLAKQFODBH-UHFFFAOYSA-N -2 0 324.726 1.413 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccn2nccc2c1 ZINC001198742157 747587297 /nfs/dbraw/zinc/58/72/97/747587297.db2.gz WVKKSHDQQFKMDW-UHFFFAOYSA-N -2 0 317.326 1.833 20 0 DDADRL Cc1nn(C)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000172818321 750969435 /nfs/dbraw/zinc/96/94/35/750969435.db2.gz ZMMIELNVUDUMOH-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL CSc1nc2ccnc(NCCOP(=O)([O-])[O-])c2s1 ZINC001168586568 751179715 /nfs/dbraw/zinc/17/97/15/751179715.db2.gz LNSYLIOSRDCZGN-UHFFFAOYSA-N -2 0 321.320 1.934 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc3c(s2)CCC3)C1 ZINC000827898062 759413219 /nfs/dbraw/zinc/41/32/19/759413219.db2.gz UNPIZPKGCAANTC-UWVGGRQHSA-N -2 0 323.370 1.627 20 0 DDADRL Cn1cnc2ncnc-2c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176239983 778089882 /nfs/dbraw/zinc/08/98/82/778089882.db2.gz ULVAVURIDYVNHH-UHFFFAOYSA-N -2 0 313.273 1.455 20 0 DDADRL CCOC(=O)c1cnc(NC(=O)C2(C(=O)[O-])CCCCC2)[n-]1 ZINC001180435272 779759612 /nfs/dbraw/zinc/75/96/12/779759612.db2.gz XFOOTCWMEYLAFK-UHFFFAOYSA-N -2 0 309.322 1.560 20 0 DDADRL O=P([O-])([O-])OCCNc1ccc2nccc(Cl)c2n1 ZINC001157791136 864143245 /nfs/dbraw/zinc/14/32/45/864143245.db2.gz JQLKNDFBSLCNBF-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL C[C@@H]1CCCN(c2cc(NCCOP(=O)([O-])[O-])ncn2)C1 ZINC001157795623 864148777 /nfs/dbraw/zinc/14/87/77/864148777.db2.gz HWBPWLMWZPTYLV-SNVBAGLBSA-N -2 0 316.298 1.234 20 0 DDADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(C2CC2)cc1)[C@H](O)C(=O)[O-] ZINC001230252878 884391853 /nfs/dbraw/zinc/39/18/53/884391853.db2.gz IWRWBURISDKOPN-YPMHNXCESA-N -2 0 308.286 1.006 20 0 DDADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1c[n-]ncc1=O ZINC001290526738 913445045 /nfs/dbraw/zinc/44/50/45/913445045.db2.gz BNGWTOFWKFJOGI-UHFFFAOYSA-N -2 0 317.330 1.165 20 0 DDADRL CC(C)n1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cnc1=O ZINC001242163012 891356281 /nfs/dbraw/zinc/35/62/81/891356281.db2.gz OKFLQZSYJYDZBK-UHFFFAOYSA-N -2 0 302.286 1.888 20 0 DDADRL O=P([O-])([O-])c1ccc(-c2cncc(N3CCOCC3)c2)cc1 ZINC001245275722 892064648 /nfs/dbraw/zinc/06/46/48/892064648.db2.gz RPTDSKWYKLWSCW-UHFFFAOYSA-N -2 0 320.285 1.388 20 0 DDADRL Cc1nccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260209228 899091297 /nfs/dbraw/zinc/09/12/97/899091297.db2.gz PQVNINCRKZUMGI-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])o1 ZINC000274921925 539279277 /nfs/dbraw/zinc/27/92/77/539279277.db2.gz AZHIUYXPJFWOOU-RXMQYKEDSA-N -2 0 301.242 1.348 20 0 DDADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000091021431 353804612 /nfs/dbraw/zinc/80/46/12/353804612.db2.gz ZQUWUIXKBYKMFA-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL CSC1(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)CCC1 ZINC000235049978 354332268 /nfs/dbraw/zinc/33/22/68/354332268.db2.gz BMRDFIDKNOIEQX-UHFFFAOYSA-N -2 0 305.377 1.542 20 0 DDADRL CC(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000037464422 182896523 /nfs/dbraw/zinc/89/65/23/182896523.db2.gz RLZXIEKVTZJQPB-UHFFFAOYSA-N -2 0 308.315 1.716 20 0 DDADRL COCCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000267880897 206317373 /nfs/dbraw/zinc/31/73/73/206317373.db2.gz PPBINQRMZUZWSH-UHFFFAOYSA-N -2 0 317.363 1.560 20 0 DDADRL Cc1onc(N)c1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000567436466 304218681 /nfs/dbraw/zinc/21/86/81/304218681.db2.gz QALKJNAETHHDJQ-UHFFFAOYSA-N -2 0 315.282 1.034 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccccc2)c1 ZINC000001760560 406677886 /nfs/dbraw/zinc/67/78/86/406677886.db2.gz PYWJGEJGHPUCHR-UHFFFAOYSA-N -2 0 321.310 1.884 20 0 DDADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1Cl ZINC000070415637 406815152 /nfs/dbraw/zinc/81/51/52/406815152.db2.gz UCXPHNRBTBLNGG-UHFFFAOYSA-N -2 0 301.711 1.562 20 0 DDADRL O=C(Nc1ccc(Cc2nn[nH]n2)cc1)c1c([O-])cccc1F ZINC000184322100 408590761 /nfs/dbraw/zinc/59/07/61/408590761.db2.gz UEKBTDHBIBXXEN-UHFFFAOYSA-N -2 0 313.292 1.888 20 0 DDADRL CO[C@H](C)[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000290437074 409402417 /nfs/dbraw/zinc/40/24/17/409402417.db2.gz BMKFRWNEODZFPQ-HTQZYQBOSA-N -2 0 305.327 1.226 20 0 DDADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc3n2CCC3)cc1 ZINC000361996335 418736517 /nfs/dbraw/zinc/73/65/17/418736517.db2.gz NZUMLJVVKVXCFT-UHFFFAOYSA-N -2 0 307.331 1.328 20 0 DDADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000643436719 423159391 /nfs/dbraw/zinc/15/93/91/423159391.db2.gz ZCXPYHBBQLKBFL-GXFFZTMASA-N -2 0 320.345 1.637 20 0 DDADRL CC(C)[C@@H](CNC(=O)N=c1[n-]nc(C(C)(C)C)s1)C(=O)[O-] ZINC000653536685 423517552 /nfs/dbraw/zinc/51/75/52/423517552.db2.gz DTXZUHBTJFOHCS-MRVPVSSYSA-N -2 0 314.411 1.736 20 0 DDADRL C[C@@H](CNC(=O)N=c1nc(-c2ccsc2)[n-]s1)C(=O)[O-] ZINC000653542134 423519578 /nfs/dbraw/zinc/51/95/78/423519578.db2.gz HMGJIPMNVYWEFX-LURJTMIESA-N -2 0 312.376 1.531 20 0 DDADRL CC(C)(C)c1nc(=NC(=O)c2ccc(C(=O)[O-])cn2)s[n-]1 ZINC000649465760 423931544 /nfs/dbraw/zinc/93/15/44/423931544.db2.gz GEKZAYAMRLQXOX-UHFFFAOYSA-N -2 0 306.347 1.603 20 0 DDADRL C[C@H]1CCCN(C(=O)c2ccc(OCC(=O)[O-])cc2)[C@H]1C(=O)[O-] ZINC000659765282 424236072 /nfs/dbraw/zinc/23/60/72/424236072.db2.gz VKNOBUBDQJBRGU-IINYFYTJSA-N -2 0 321.329 1.475 20 0 DDADRL CC(C)(CCNC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)C(=O)[O-] ZINC000424405983 278604980 /nfs/dbraw/zinc/60/49/80/278604980.db2.gz PWITZHOFLPAXKP-ZUZCIYMTSA-N -2 0 312.366 1.384 20 0 DDADRL CC(C)C[C@H](CNC(=O)NCc1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC000424401183 279154752 /nfs/dbraw/zinc/15/47/52/279154752.db2.gz YNHJNUSYAGBIJU-CYBMUJFWSA-N -2 0 322.361 1.931 20 0 DDADRL CO[C@H](C)c1nc(=NC[C@@H](C(=O)[O-])c2ccccc2)s[n-]1 ZINC000385862102 325756721 /nfs/dbraw/zinc/75/67/21/325756721.db2.gz JTVAFQHQDQNURM-MWLCHTKSSA-N -2 0 307.375 1.948 20 0 DDADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cnc3ccccc3c2O)C1 ZINC000398997530 337313572 /nfs/dbraw/zinc/31/35/72/337313572.db2.gz KXZYFTRLWLOPOD-WDEREUQCSA-N -2 0 314.341 1.711 20 0 DDADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1 ZINC000507566003 484259331 /nfs/dbraw/zinc/25/93/31/484259331.db2.gz KRCQPWDKRAAXAM-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL Cc1ccc(F)cc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000540290266 484312051 /nfs/dbraw/zinc/31/20/51/484312051.db2.gz FPJAUHCQDSRZIE-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)n1 ZINC000663139388 484698245 /nfs/dbraw/zinc/69/82/45/484698245.db2.gz BQEBGCWVIQIENW-AWEZNQCLSA-N -2 0 309.322 1.142 20 0 DDADRL Cc1ncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)s1 ZINC000229618663 527305879 /nfs/dbraw/zinc/30/58/79/527305879.db2.gz OSZPDGJVTFRWCG-UHFFFAOYSA-N -2 0 314.344 1.656 20 0 DDADRL CS(=O)(=O)[N-]c1ccccc1C(=O)OCCCCC(=O)[O-] ZINC000738138842 597827641 /nfs/dbraw/zinc/82/76/41/597827641.db2.gz KBPFJDQOBARWFM-UHFFFAOYSA-N -2 0 315.347 1.470 20 0 DDADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000821549445 598148492 /nfs/dbraw/zinc/14/84/92/598148492.db2.gz CLJZVHKEJQBFOP-UHFFFAOYSA-N -2 0 323.301 1.643 20 0 DDADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000821544286 598160074 /nfs/dbraw/zinc/16/00/74/598160074.db2.gz MRLFQIARBGEQTC-UHFFFAOYSA-N -2 0 311.340 1.565 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc(C(=O)[O-])c2)c(C)o1 ZINC000821045838 598195435 /nfs/dbraw/zinc/19/54/35/598195435.db2.gz HCRXQOPGTCVHQS-UHFFFAOYSA-N -2 0 323.326 1.713 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)o1 ZINC000037055733 599735498 /nfs/dbraw/zinc/73/54/98/599735498.db2.gz IPGDMPCPJJZJPP-UHFFFAOYSA-N -2 0 309.299 1.714 20 0 DDADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000386564710 599864662 /nfs/dbraw/zinc/86/46/62/599864662.db2.gz OQVGQJHAHNAORD-UHFFFAOYSA-N -2 0 322.342 1.736 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2)c(F)cc1F ZINC000740089916 600424785 /nfs/dbraw/zinc/42/47/85/600424785.db2.gz NORFYAYEULGEJY-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C)cn2)cc1C(=O)[O-] ZINC000387068381 600658992 /nfs/dbraw/zinc/65/89/92/600658992.db2.gz QIHDKHJLYNQRFN-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cn1 ZINC000314510108 600673416 /nfs/dbraw/zinc/67/34/16/600673416.db2.gz PMDZXXWGSGJYLW-UHFFFAOYSA-N -2 0 321.358 1.257 20 0 DDADRL CCn1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000830451374 600976717 /nfs/dbraw/zinc/97/67/17/600976717.db2.gz KMACNVCSQRXWIK-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL CCc1cnc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])s1 ZINC000830298823 600985379 /nfs/dbraw/zinc/98/53/79/600985379.db2.gz FTEKOKRCGDDLKZ-UHFFFAOYSA-N -2 0 316.364 1.236 20 0 DDADRL Cc1noc2ncc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc12 ZINC000738955887 601116952 /nfs/dbraw/zinc/11/69/52/601116952.db2.gz UZNSWQWLUMUADA-UHFFFAOYSA-N -2 0 323.286 1.623 20 0 DDADRL CCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000829033766 601141920 /nfs/dbraw/zinc/14/19/20/601141920.db2.gz WKOIWBURADDPPH-UHFFFAOYSA-N -2 0 311.359 1.521 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n[nH]c1C1CC1 ZINC000832853618 602103051 /nfs/dbraw/zinc/10/30/51/602103051.db2.gz OGDOZCNQEAEYHS-UHFFFAOYSA-N -2 0 310.335 1.423 20 0 DDADRL O=C([O-])NC[C@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000740628845 602379217 /nfs/dbraw/zinc/37/92/17/602379217.db2.gz DVMMTLSDAPOEDE-SECBINFHSA-N -2 0 322.390 1.877 20 0 DDADRL O=C([O-])N1CCc2ccc([N-]S(=O)(=O)c3cn[nH]c3)cc2C1 ZINC000740529323 602491006 /nfs/dbraw/zinc/49/10/06/602491006.db2.gz FYBIEGNRLMSCJL-UHFFFAOYSA-N -2 0 322.346 1.247 20 0 DDADRL CC(C)(CC(=O)Nc1cccc(OCCNC(=O)[O-])c1)C(=O)[O-] ZINC000738738894 602789598 /nfs/dbraw/zinc/78/95/98/602789598.db2.gz PFPFJBPJDPOAGE-UHFFFAOYSA-N -2 0 324.333 1.772 20 0 DDADRL CC(C)(CCC(=O)[N-]S(=O)(=O)c1cccs1)NC(=O)[O-] ZINC000738739655 602925504 /nfs/dbraw/zinc/92/55/04/602925504.db2.gz CKCNJLKSOKMQMX-UHFFFAOYSA-N -2 0 320.392 1.379 20 0 DDADRL CC(C)(CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1)NC(=O)[O-] ZINC000738735101 603160317 /nfs/dbraw/zinc/16/03/17/603160317.db2.gz OSJUULZWQOSJRN-UHFFFAOYSA-N -2 0 318.326 1.067 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CN(C)C(=O)[O-])cc1Cl ZINC000830414694 603438004 /nfs/dbraw/zinc/43/80/04/603438004.db2.gz LRYWJGGYGIMOKH-UHFFFAOYSA-N -2 0 320.754 1.063 20 0 DDADRL O=C([O-])NC[C@H]1CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000832576902 603573472 /nfs/dbraw/zinc/57/34/72/603573472.db2.gz AVTWGLQKWHCGRU-MRVPVSSYSA-N -2 0 308.363 1.629 20 0 DDADRL C[C@]1(C(=O)[N-]S(=O)(=O)C2CCCCC2)CCN(C(=O)[O-])C1 ZINC000825678129 604185156 /nfs/dbraw/zinc/18/51/56/604185156.db2.gz OEHQUISAKMFUEN-ZDUSSCGKSA-N -2 0 318.395 1.155 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CN(C)C(=O)[O-])cc1 ZINC000830415543 604250355 /nfs/dbraw/zinc/25/03/55/604250355.db2.gz UGSXPHRDUIFYGG-SNVBAGLBSA-N -2 0 314.363 1.046 20 0 DDADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)ncn1 ZINC000833729288 605266683 /nfs/dbraw/zinc/26/66/83/605266683.db2.gz JKIMVYDZMUPRNG-UHFFFAOYSA-N -2 0 315.332 1.046 20 0 DDADRL CC(C)CCS(=O)(=O)[N-]C(=O)CC[C@H]1CCN(C(=O)[O-])C1 ZINC000833794476 605502028 /nfs/dbraw/zinc/50/20/28/605502028.db2.gz NIQPMPSPIHOITK-NSHDSACASA-N -2 0 320.411 1.259 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000834059834 606030941 /nfs/dbraw/zinc/03/09/41/606030941.db2.gz URHVXWIGCOPZEI-RVMXOQNASA-N -2 0 324.377 1.763 20 0 DDADRL O=C([O-])N[C@@H](CC(=O)N1CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000834121636 606034626 /nfs/dbraw/zinc/03/46/26/606034626.db2.gz HQKDMPKNDPEUAS-STQMWFEESA-N -2 0 320.345 1.851 20 0 DDADRL O=C([O-])Cc1ccccc1NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000834067456 606052676 /nfs/dbraw/zinc/05/26/76/606052676.db2.gz DYEVWENTRJYNTN-GHMZBOCLSA-N -2 0 306.318 1.689 20 0 DDADRL CC(C)C[C@H](CNC(=O)c1ccc(CNC(=O)[O-])o1)C(=O)[O-] ZINC000833794577 606064635 /nfs/dbraw/zinc/06/46/35/606064635.db2.gz LJJHMKUOYYJHSU-SECBINFHSA-N -2 0 312.322 1.524 20 0 DDADRL O=C([O-])NCCCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000834229918 606066774 /nfs/dbraw/zinc/06/67/74/606066774.db2.gz PSDHFNFEIWNURZ-LLVKDONJSA-N -2 0 314.725 1.630 20 0 DDADRL O=C([O-])c1cccc(CCNC(=O)[C@@H]2CCCN2C(=O)[O-])c1 ZINC000834282513 606114006 /nfs/dbraw/zinc/11/40/06/606114006.db2.gz ANSAZYRQNSDJBR-LBPRGKRZSA-N -2 0 306.318 1.186 20 0 DDADRL CS[C@H]1CC[C@@H](NS(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000235050796 697792809 /nfs/dbraw/zinc/79/28/09/697792809.db2.gz JGMJABKCEOJKGY-RQJHMYQMSA-N -2 0 322.433 1.404 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)c(F)c1 ZINC000776428243 698106452 /nfs/dbraw/zinc/10/64/52/698106452.db2.gz WIHOIMUHHFPJLL-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL O=C([O-])/C=C\c1cnc(/C=C\c2cn(CC(=O)[O-])nn2)s1 ZINC000759083154 700736608 /nfs/dbraw/zinc/73/66/08/700736608.db2.gz HLPYCCKQJIZOIQ-CCAGOZQPSA-N -2 0 306.303 1.087 20 0 DDADRL O=C([O-])C[C@H]([N-]S(=O)(=O)C(F)F)c1ccc(F)cc1F ZINC000817419739 702377389 /nfs/dbraw/zinc/37/73/89/702377389.db2.gz GICJVDGRBXGPJJ-QMMMGPOBSA-N -2 0 315.244 1.623 20 0 DDADRL C[C@@H]([N-]C(=O)C(F)(F)F)[C@H](C)C(=O)Nc1ncccc1O ZINC000854455645 704400102 /nfs/dbraw/zinc/40/01/02/704400102.db2.gz PVMXZVOQNLCDHF-NKWVEPMBSA-N -2 0 305.256 1.429 20 0 DDADRL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)c1 ZINC000863952219 706044535 /nfs/dbraw/zinc/04/45/35/706044535.db2.gz ONHDVKOLEJUWAT-LBPRGKRZSA-N -2 0 313.375 1.465 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)C(CC)(CC)C(=O)[O-] ZINC000863954905 706045711 /nfs/dbraw/zinc/04/57/11/706045711.db2.gz RFOQJWRMUVDYHD-JTQLQIEISA-N -2 0 307.412 1.760 20 0 DDADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000863955712 706046185 /nfs/dbraw/zinc/04/61/85/706046185.db2.gz VTQKFGVIJNJBCX-SKDRFNHKSA-N -2 0 311.359 1.304 20 0 DDADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C)oc1C ZINC000863958257 706046642 /nfs/dbraw/zinc/04/66/42/706046642.db2.gz RFJXRSAPEBAKOY-UHFFFAOYSA-N -2 0 317.363 1.592 20 0 DDADRL Cc1ccccc1CS(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC=CC1 ZINC000863961553 706047106 /nfs/dbraw/zinc/04/71/06/706047106.db2.gz RFXIBIWJYJKYRB-UHFFFAOYSA-N -2 0 323.370 1.362 20 0 DDADRL C[C@H]1CCN(C(=O)NCc2ccc(O)c(F)c2)[C@H](C(=O)[O-])C1 ZINC000909050100 712926081 /nfs/dbraw/zinc/92/60/81/712926081.db2.gz WZGCFMKCIXPHLO-CABZTGNLSA-N -2 0 310.325 1.926 20 0 DDADRL C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000910183053 709800893 /nfs/dbraw/zinc/80/08/93/709800893.db2.gz KQRDGWZTSDWYEW-CYZMBNFOSA-N -2 0 305.330 1.567 20 0 DDADRL O=C([O-])C[C@@H]1CCCN(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000901451929 710044020 /nfs/dbraw/zinc/04/40/20/710044020.db2.gz BSDJFSNTGFTPPP-NSHDSACASA-N -2 0 305.330 1.641 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)N[C@H]1CCCC2(CC2)C1 ZINC000903545817 711182530 /nfs/dbraw/zinc/18/25/30/711182530.db2.gz BKGIUAUWUQLFPU-QMMMGPOBSA-N -2 0 316.404 1.842 20 0 DDADRL CN(C(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000905991901 712213105 /nfs/dbraw/zinc/21/31/05/712213105.db2.gz UAJMJLWVCJFVCT-NWDGAFQWSA-N -2 0 324.308 1.489 20 0 DDADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCC[C@@H](F)C2)c1 ZINC000907026783 712468277 /nfs/dbraw/zinc/46/82/77/712468277.db2.gz OORQJINTEHGBDY-SECBINFHSA-N -2 0 303.311 1.213 20 0 DDADRL O=C([O-])[C@]1(C(=O)[N-]OC[C@H]2CCOC2)C[C@H]1c1ccccc1 ZINC000907851633 712635737 /nfs/dbraw/zinc/63/57/37/712635737.db2.gz UBZGBRFYHFXZNJ-DETPVDSQSA-N -2 0 305.330 1.329 20 0 DDADRL O=C(CCn1ccc2ccccc21)NCCOP(=O)([O-])[O-] ZINC001180668990 742850134 /nfs/dbraw/zinc/85/01/34/742850134.db2.gz PQWXEZMOYCSCOR-UHFFFAOYSA-N -2 0 312.262 1.257 20 0 DDADRL O=C(Cc1c[nH]c2c1cccc2F)NCCOP(=O)([O-])[O-] ZINC001182575006 743667383 /nfs/dbraw/zinc/66/73/83/743667383.db2.gz DDTXNCNWKCNPGO-UHFFFAOYSA-N -2 0 316.225 1.075 20 0 DDADRL Cc1cccc2ccn(CC(=O)NCCOP(=O)([O-])[O-])c21 ZINC001184194800 743996210 /nfs/dbraw/zinc/99/62/10/743996210.db2.gz IQAZPJARXGSHLQ-UHFFFAOYSA-N -2 0 312.262 1.175 20 0 DDADRL O=C(C=C([O-])c1ccccc1Cl)NC1C(=O)N=CN=C1[O-] ZINC001185427093 744220571 /nfs/dbraw/zinc/22/05/71/744220571.db2.gz QRTQRMBQSQEIPE-UHFFFAOYSA-N -2 0 307.693 1.753 20 0 DDADRL C[Si](C)(C)CNC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189899852 745048240 /nfs/dbraw/zinc/04/82/40/745048240.db2.gz JPVOARJCPFAOOB-UHFFFAOYSA-N -2 0 303.327 1.765 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC2(F)F)c(F)cc1F ZINC001195245410 746555107 /nfs/dbraw/zinc/55/51/07/746555107.db2.gz RCUTZASMYLWVAJ-MRVPVSSYSA-N -2 0 313.228 1.349 20 0 DDADRL COc1cccnc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198739275 747585428 /nfs/dbraw/zinc/58/54/28/747585428.db2.gz PRAPQWLFMGKOIX-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL Cc1ccnc(NCCOP(=O)([O-])[O-])c1Br ZINC001168590913 751213854 /nfs/dbraw/zinc/21/38/54/751213854.db2.gz BNRUZRDKYSIETE-UHFFFAOYSA-N -2 0 311.072 1.674 20 0 DDADRL Cc1nc(Cl)nc(Cl)c1NCCOP(=O)([O-])[O-] ZINC001168590902 751213860 /nfs/dbraw/zinc/21/38/60/751213860.db2.gz AVERGYDHJSFJPI-UHFFFAOYSA-N -2 0 302.054 1.613 20 0 DDADRL CCOC(=O)c1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)on1 ZINC001176238206 778088436 /nfs/dbraw/zinc/08/84/36/778088436.db2.gz PBFPSNWQNGIAHT-UHFFFAOYSA-N -2 0 320.257 1.991 20 0 DDADRL Nc1nnc(C(F)(F)F)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237643 778088869 /nfs/dbraw/zinc/08/88/69/778088869.db2.gz YRXKZMXKKNTGBV-UHFFFAOYSA-N -2 0 316.195 1.265 20 0 DDADRL Cn1cnc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c2ncnc1-2 ZINC001176239806 778089587 /nfs/dbraw/zinc/08/95/87/778089587.db2.gz VYRBHTFWJCFTPH-UHFFFAOYSA-N -2 0 313.273 1.455 20 0 DDADRL COc1nccc(N)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176240479 778090934 /nfs/dbraw/zinc/09/09/34/778090934.db2.gz XOAFJIAPROILLM-UHFFFAOYSA-N -2 0 303.274 1.812 20 0 DDADRL Nc1ccccc1-c1ncn(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001176244853 778093649 /nfs/dbraw/zinc/09/36/49/778093649.db2.gz QYZUTPIEMWHODW-UHFFFAOYSA-N -2 0 324.296 1.913 20 0 DDADRL Cc1ccc(C(C)C)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001225225811 881730564 /nfs/dbraw/zinc/73/05/64/881730564.db2.gz YYKWWBPNJUHNSJ-LLVKDONJSA-N -2 0 318.262 1.494 20 0 DDADRL COC(=O)c1cc(Cl)cnc1NCCOP(=O)([O-])[O-] ZINC001157787564 864140346 /nfs/dbraw/zinc/14/03/46/864140346.db2.gz MRGGLENURRHJKJ-UHFFFAOYSA-N -2 0 310.630 1.043 20 0 DDADRL CSc1cc(NCCOP(=O)([O-])[O-])nc(SC)n1 ZINC001157795349 864148849 /nfs/dbraw/zinc/14/88/49/864148849.db2.gz KWMWNSGAJHDFCL-UHFFFAOYSA-N -2 0 311.325 1.442 20 0 DDADRL O=C([O-])C[C@@H](C(=O)Oc1ccc2ccccc2c1)[C@H](O)C(=O)[O-] ZINC001225267326 881752400 /nfs/dbraw/zinc/75/24/00/881752400.db2.gz KGRUWWWASXCKNY-OCCSQVGLSA-N -2 0 318.281 1.282 20 0 DDADRL COc1ccc(CCNc2ccc(P(=O)([O-])[O-])cc2)cc1O ZINC001163731933 868664545 /nfs/dbraw/zinc/66/45/45/868664545.db2.gz FWNKDXZHXPZXAN-UHFFFAOYSA-N -2 0 323.285 1.858 20 0 DDADRL CCCc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001227180022 882898216 /nfs/dbraw/zinc/89/82/16/882898216.db2.gz DECMTULZZFTMLV-DGCLKSJQSA-N -2 0 310.302 1.081 20 0 DDADRL COc1c([N-]S(=O)(=O)c2ccccc2N)cccc1C(=O)[O-] ZINC001211037768 875636106 /nfs/dbraw/zinc/63/61/06/875636106.db2.gz YIIUZJDLMFNWBI-UHFFFAOYSA-N -2 0 322.342 1.776 20 0 DDADRL Cc1cc(Cl)cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1 ZINC001227984927 883267861 /nfs/dbraw/zinc/26/78/61/883267861.db2.gz OLXDOLHPQICMBG-SECBINFHSA-N -2 0 310.626 1.024 20 0 DDADRL O=C(Nc1nccc(Br)c1[O-])c1ccc(O)cn1 ZINC001363170347 885617145 /nfs/dbraw/zinc/61/71/45/885617145.db2.gz FZKVFGDPMXOPKK-UHFFFAOYSA-N -2 0 310.107 1.903 20 0 DDADRL COC(=O)c1ccnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242159894 891354352 /nfs/dbraw/zinc/35/43/52/891354352.db2.gz WBOVLIFZAFUJFP-UHFFFAOYSA-N -2 0 302.242 1.327 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc(-n3ccnc3)ncn2)c1 ZINC001242159845 891355057 /nfs/dbraw/zinc/35/50/57/891355057.db2.gz TYGPEBBDVYQKSY-UHFFFAOYSA-N -2 0 310.269 1.726 20 0 DDADRL CCOC(=O)c1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cn1 ZINC001245255979 892053104 /nfs/dbraw/zinc/05/31/04/892053104.db2.gz KCFAACSOHXWFNH-UHFFFAOYSA-N -2 0 307.242 1.728 20 0 DDADRL Cc1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(C)n1 ZINC001260183994 899075874 /nfs/dbraw/zinc/07/58/74/899075874.db2.gz MIWLVXBJEGOQFR-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL CCOc1nccnc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260183451 899076195 /nfs/dbraw/zinc/07/61/95/899076195.db2.gz RGKGZRIPWKQRRU-UHFFFAOYSA-N -2 0 323.330 1.374 20 0 DDADRL CCOc1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cn1 ZINC001260221661 899096141 /nfs/dbraw/zinc/09/61/41/899096141.db2.gz MLGHNKUMSBCINS-UHFFFAOYSA-N -2 0 323.330 1.374 20 0 DDADRL O=C([O-])COc1ccc(CCN=c2[n-]c(C3CCC3)no2)cc1 ZINC000565042493 304039562 /nfs/dbraw/zinc/03/95/62/304039562.db2.gz WWQDTXUBUBDARR-UHFFFAOYSA-N -2 0 317.345 1.877 20 0 DDADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CCOC(C)C ZINC000093665582 193285837 /nfs/dbraw/zinc/28/58/37/193285837.db2.gz ZRTPDIZGPKUHFL-UHFFFAOYSA-N -2 0 317.363 1.560 20 0 DDADRL Cc1ccccc1-c1nc(=N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)s[n-]1 ZINC000629766904 422805497 /nfs/dbraw/zinc/80/54/97/422805497.db2.gz BWKMNKUOZWUHRR-MVWJERBFSA-N -2 0 319.386 1.571 20 0 DDADRL COc1cc(F)cc(-c2noc(=NCC3(C(=O)[O-])CCC3)[n-]2)c1 ZINC000629766788 422805816 /nfs/dbraw/zinc/80/58/16/422805816.db2.gz AGHDBXDGLDUDCY-UHFFFAOYSA-N -2 0 321.308 1.973 20 0 DDADRL Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)n1 ZINC000055575085 407205382 /nfs/dbraw/zinc/20/53/82/407205382.db2.gz UHOJBBOIGGYQIS-UHFFFAOYSA-N -2 0 321.358 1.408 20 0 DDADRL Cc1csc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)n1 ZINC000151453063 407439917 /nfs/dbraw/zinc/43/99/17/407439917.db2.gz FJIIHNYGZHRIIG-UHFFFAOYSA-N -2 0 317.330 1.349 20 0 DDADRL Cc1cc(C(=O)NCCC2=CCCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000179131599 407730573 /nfs/dbraw/zinc/73/05/73/407730573.db2.gz QAGMJGUUMRSHSQ-UHFFFAOYSA-N -2 0 314.345 1.562 20 0 DDADRL O=C(Cn1c(=O)c2ccccc2[n-]c1=S)[N-]OC1CCCC1 ZINC000272150674 407795062 /nfs/dbraw/zinc/79/50/62/407795062.db2.gz XEKFEBQEWDERIH-UHFFFAOYSA-N -2 0 319.386 1.676 20 0 DDADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000263385326 408125537 /nfs/dbraw/zinc/12/55/37/408125537.db2.gz YALUIGZYIRGPNU-MFKMUULPSA-N -2 0 320.345 1.637 20 0 DDADRL CC(C)c1nc(/C=C/c2cn(CC(=O)[O-])nn2)ncc1C(=O)[O-] ZINC000270473270 408542744 /nfs/dbraw/zinc/54/27/44/408542744.db2.gz ZMEINRAKEBUTOC-ONEGZZNKSA-N -2 0 317.305 1.145 20 0 DDADRL O=C([O-])c1ccc(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)cc1 ZINC000571562003 304471022 /nfs/dbraw/zinc/47/10/22/304471022.db2.gz ZREMGOIGZUDYCC-LLVKDONJSA-N -2 0 316.317 1.576 20 0 DDADRL CC(C)Cc1ccc(C(=O)N=c2ncn(CC(=O)[O-])[n-]2)cc1 ZINC000647782435 423046957 /nfs/dbraw/zinc/04/69/57/423046957.db2.gz MNEVWQOEQRSXJB-UHFFFAOYSA-N -2 0 302.334 1.235 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2OCCC3)c[nH]1 ZINC000366179574 418437947 /nfs/dbraw/zinc/43/79/47/418437947.db2.gz QJAMGKHCMUDLQY-UHFFFAOYSA-N -2 0 322.342 1.839 20 0 DDADRL Cc1nc(C=Cc2ccc(O)cc2)[nH]c(=O)c1CCC(=O)[O-] ZINC000195503488 222204294 /nfs/dbraw/zinc/20/42/94/222204294.db2.gz YEJLYKHJLFGIMO-XBXARRHUSA-N -2 0 300.314 1.972 20 0 DDADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cnc3n2CCC3)c1 ZINC000361996954 418736552 /nfs/dbraw/zinc/73/65/52/418736552.db2.gz SNAKOZXOYZPMDM-UHFFFAOYSA-N -2 0 307.331 1.328 20 0 DDADRL Cc1oncc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000436656905 420351824 /nfs/dbraw/zinc/35/18/24/420351824.db2.gz SABDMGBXVPVPQJ-UHFFFAOYSA-N -2 0 312.303 1.496 20 0 DDADRL O=C([O-])[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000551842301 421544163 /nfs/dbraw/zinc/54/41/63/421544163.db2.gz REDSJOALEWOIIV-NSHDSACASA-N -2 0 319.292 1.406 20 0 DDADRL O=C([O-])CCCCCNC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000556907805 421749799 /nfs/dbraw/zinc/74/97/99/421749799.db2.gz QWOZTJHGMOYFED-NSHDSACASA-N -2 0 300.355 1.528 20 0 DDADRL O=C([O-])[C@@]1(CN=c2nc(-c3ccccc3)[n-]s2)CCCOC1 ZINC000630463000 422117812 /nfs/dbraw/zinc/11/78/12/422117812.db2.gz HOSIRJAAIVLIGZ-OAHLLOKOSA-N -2 0 319.386 1.920 20 0 DDADRL O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000543784149 303466030 /nfs/dbraw/zinc/46/60/30/303466030.db2.gz FGQRTQGIKWMFKM-UHFFFAOYSA-N -2 0 309.347 1.618 20 0 DDADRL CCn1cncc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000547872110 303557413 /nfs/dbraw/zinc/55/74/13/303557413.db2.gz WYIAWGZVFOIVCT-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL CO[C@@H](C)c1nc(=N[C@@H](C)c2ncc(C(=O)[O-])s2)s[n-]1 ZINC000575320307 308274740 /nfs/dbraw/zinc/27/47/40/308274740.db2.gz PUCSRURFIKPTFI-WDSKDSINSA-N -2 0 314.392 1.995 20 0 DDADRL Cc1cc([C@@H](NC(=O)N=c2[n-]ncs2)C(=O)[O-])ccc1F ZINC000577340830 308379781 /nfs/dbraw/zinc/37/97/81/308379781.db2.gz VWEWAXVONQUQQG-SECBINFHSA-N -2 0 310.310 1.355 20 0 DDADRL CCC(CC)(CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1)C(=O)[O-] ZINC000580064343 308576965 /nfs/dbraw/zinc/57/69/65/308576965.db2.gz YCWFBVWWULNRFC-NSHDSACASA-N -2 0 314.382 1.774 20 0 DDADRL O=C([O-])c1cnc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)c(Cl)c1 ZINC000662895160 484527280 /nfs/dbraw/zinc/52/72/80/484527280.db2.gz BYFGSXYZESCWAL-CGMLFGJQSA-N -2 0 300.698 1.069 20 0 DDADRL C[C@H](CN(C)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)[O-] ZINC000663054768 484632230 /nfs/dbraw/zinc/63/22/30/484632230.db2.gz QMTYVHGTBAZTNN-SECBINFHSA-N -2 0 321.308 1.510 20 0 DDADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000663119753 484683880 /nfs/dbraw/zinc/68/38/80/484683880.db2.gz MSMUDSHHVUDGAA-PSTGCABASA-N -2 0 317.341 1.917 20 0 DDADRL CS(=O)(=O)[N-]c1cc(F)ccc1C(=O)OCCCC(=O)[O-] ZINC000738138851 597834768 /nfs/dbraw/zinc/83/47/68/597834768.db2.gz KPQXJYJLQJUDBN-UHFFFAOYSA-N -2 0 319.310 1.219 20 0 DDADRL O=C([O-])Cc1ccccc1NC(=O)c1cccc(C(=O)[O-])n1 ZINC000821539195 598195688 /nfs/dbraw/zinc/19/56/88/598195688.db2.gz SMSHJNJHQUIZAM-UHFFFAOYSA-N -2 0 300.270 1.659 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)s1 ZINC000021520168 600050961 /nfs/dbraw/zinc/05/09/61/600050961.db2.gz TYXFDFHMAYEYGZ-UHFFFAOYSA-N -2 0 318.401 1.941 20 0 DDADRL Cn1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])n1 ZINC000739038801 600093497 /nfs/dbraw/zinc/09/34/97/600093497.db2.gz NWSSSJPXKGMIJX-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL Cc1nn2c(S[C@@H](C(=O)[O-])c3ccccc3)n[n-]c2nc1=O ZINC000738377858 600379076 /nfs/dbraw/zinc/37/90/76/600379076.db2.gz FGOJVTTYDNOZEM-SECBINFHSA-N -2 0 317.330 1.039 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)Cc1cccc(Cl)c1 ZINC000739691418 600460671 /nfs/dbraw/zinc/46/06/71/600460671.db2.gz HZEJIFNXVLQNJT-UHFFFAOYSA-N -2 0 319.766 1.193 20 0 DDADRL CSc1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1 ZINC000738198514 600465499 /nfs/dbraw/zinc/46/54/99/600465499.db2.gz FJXWFEJZAHPWIH-UHFFFAOYSA-N -2 0 317.388 1.333 20 0 DDADRL C[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736626154 600462087 /nfs/dbraw/zinc/46/20/87/600462087.db2.gz KOYNSJLLJMXXEM-NSHDSACASA-N -2 0 313.375 1.176 20 0 DDADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000079701307 600513804 /nfs/dbraw/zinc/51/38/04/600513804.db2.gz DGSJDGMSOMLTQU-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000315542480 600671003 /nfs/dbraw/zinc/67/10/03/600671003.db2.gz MATDEQLMPPPNCJ-UHFFFAOYSA-N -2 0 324.314 1.520 20 0 DDADRL CCCn1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cn1 ZINC000175023888 600686248 /nfs/dbraw/zinc/68/62/48/600686248.db2.gz GCPFSHFWJKGTDK-UHFFFAOYSA-N -2 0 323.374 1.721 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)C2CC=CC2)s1 ZINC000740174212 600756743 /nfs/dbraw/zinc/75/67/43/600756743.db2.gz WCVMCMDYDMRWEC-UHFFFAOYSA-N -2 0 301.345 1.217 20 0 DDADRL Cc1ccc(-n2[n-]c(C(=O)N(C)C[C@@H](C)C(=O)[O-])cc2=O)cc1 ZINC000832910274 600949424 /nfs/dbraw/zinc/94/94/24/600949424.db2.gz WPBUAUXTGMLECL-LLVKDONJSA-N -2 0 317.345 1.267 20 0 DDADRL CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC000013028116 601356084 /nfs/dbraw/zinc/35/60/84/601356084.db2.gz AIHXOMIJUKLKCN-KWQFWETISA-N -2 0 315.347 1.162 20 0 DDADRL O=C([O-])CC1(NC(=O)CSc2n[n-]c(=S)s2)CCC1 ZINC000833203764 601434783 /nfs/dbraw/zinc/43/47/83/601434783.db2.gz QXIYNRWXGVNCBE-UHFFFAOYSA-N -2 0 319.433 1.433 20 0 DDADRL O=C([O-])[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)C2CCCC2)C1 ZINC000833185140 601599732 /nfs/dbraw/zinc/59/97/32/601599732.db2.gz VMXSWCWHFRSKNJ-UWVGGRQHSA-N -2 0 303.380 1.266 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])cc1 ZINC000832468973 601602793 /nfs/dbraw/zinc/60/27/93/601602793.db2.gz YABGMZVGPMGCJX-UHFFFAOYSA-N -2 0 314.344 1.651 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-])cc1Cl ZINC000832954419 602196543 /nfs/dbraw/zinc/19/65/43/602196543.db2.gz DMMUWHWKKDDBKM-QMMMGPOBSA-N -2 0 319.766 1.564 20 0 DDADRL CC(C)[C@H](NC(=O)[O-])C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000736378514 602472840 /nfs/dbraw/zinc/47/28/40/602472840.db2.gz WOWGGIOWXQYATL-JTQLQIEISA-N -2 0 320.305 1.261 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc([C@@H](C)NC(=O)[O-])cc2)c[nH]1 ZINC000830812385 603401088 /nfs/dbraw/zinc/40/10/88/603401088.db2.gz DVKMCYFZYBRJMN-MRVPVSSYSA-N -2 0 324.362 1.848 20 0 DDADRL CC(C)CCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000824245919 603441675 /nfs/dbraw/zinc/44/16/75/603441675.db2.gz YFURQOFKBDDIIE-QWRGUYRKSA-N -2 0 320.411 1.305 20 0 DDADRL O=C([O-])NC[C@@H]1CCCN(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000832532951 603750434 /nfs/dbraw/zinc/75/04/34/603750434.db2.gz GNPQSQJPCNZQPV-QMMMGPOBSA-N -2 0 314.288 1.790 20 0 DDADRL O=C([O-])NC[C@H]1CCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000832568435 603863606 /nfs/dbraw/zinc/86/36/06/603863606.db2.gz SCWFWAGXWYYQLD-SECBINFHSA-N -2 0 321.358 1.989 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cnc(C)s2)c(C(=O)[O-])[nH]1 ZINC000235901289 604502876 /nfs/dbraw/zinc/50/28/76/604502876.db2.gz GVJVFOJFUBEXKM-UHFFFAOYSA-N -2 0 301.349 1.587 20 0 DDADRL CC(C)(C(=O)[O-])[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccccc1 ZINC000826105796 604708229 /nfs/dbraw/zinc/70/82/29/604708229.db2.gz JSCNAYYNRPTSPX-VIFPVBQESA-N -2 0 304.306 1.092 20 0 DDADRL CC(C)C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC000013264862 604880743 /nfs/dbraw/zinc/88/07/43/604880743.db2.gz KLDXNKPVAWQXBD-NSHDSACASA-N -2 0 315.347 1.162 20 0 DDADRL CC(C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833467894 605118061 /nfs/dbraw/zinc/11/80/61/605118061.db2.gz VTUGTLDYJDHCBC-UHFFFAOYSA-N -2 0 305.739 1.499 20 0 DDADRL CN(C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)ccn1 ZINC000833692265 605183896 /nfs/dbraw/zinc/18/38/96/605183896.db2.gz ZCXFVXZNCZPHMV-UHFFFAOYSA-N -2 0 311.319 1.240 20 0 DDADRL CC(C)(C)CCCC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000823766424 605284192 /nfs/dbraw/zinc/28/41/92/605284192.db2.gz NNCPKPZUVFYLNW-JTQLQIEISA-N -2 0 320.411 1.401 20 0 DDADRL O=C([O-])N[C@H]1CCC[C@H]1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000834174974 605307858 /nfs/dbraw/zinc/30/78/58/605307858.db2.gz YLKBCIXCPXYFEW-OLZOCXBDSA-N -2 0 320.345 1.480 20 0 DDADRL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C[C@@H](C)C1 ZINC000833595369 605701457 /nfs/dbraw/zinc/70/14/57/605701457.db2.gz VDGDVGSGFVVBSN-URLYPYJESA-N -2 0 305.396 1.370 20 0 DDADRL O=C([O-])C[C@H](NC(=O)[C@H]1CCN(C(=O)[O-])C1)c1cccs1 ZINC000834061239 606034260 /nfs/dbraw/zinc/03/42/60/606034260.db2.gz RGRFVKKHVASBRF-IUCAKERBSA-N -2 0 312.347 1.380 20 0 DDADRL O=C([O-])[C@H]1c2ccccc2CCN1C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000834061706 606052732 /nfs/dbraw/zinc/05/27/32/606052732.db2.gz YGSDOEOVLSHWTA-WCQYABFASA-N -2 0 318.329 1.197 20 0 DDADRL O=C([O-])[C@H](CNC(=O)[C@@H]1CCN(C(=O)[O-])C1)Cc1ccccc1 ZINC000834058889 606058282 /nfs/dbraw/zinc/05/82/82/606058282.db2.gz PFLAJMZHJHTNRW-OLZOCXBDSA-N -2 0 320.345 1.046 20 0 DDADRL O=C([O-])C[C@H]1CN(C(=O)Cc2ccc(NC(=O)[O-])cc2)CCO1 ZINC000834060879 606061733 /nfs/dbraw/zinc/06/17/33/606061733.db2.gz LODKKLDGKFWFMT-LBPRGKRZSA-N -2 0 322.317 1.021 20 0 DDADRL O=C([O-])CCc1ccc(NC(=O)COC2CN(C(=O)[O-])C2)cc1 ZINC000834058735 606063080 /nfs/dbraw/zinc/06/30/80/606063080.db2.gz CSIOZTGWJIKQDO-UHFFFAOYSA-N -2 0 322.317 1.021 20 0 DDADRL O=C([O-])[C@@H](CNC(=O)[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000834019474 606065159 /nfs/dbraw/zinc/06/51/59/606065159.db2.gz ONIZEZRDVBCNBF-STQMWFEESA-N -2 0 320.345 1.361 20 0 DDADRL O=C([O-])[C@H]1CN(C(=O)[C@H]2CCN(C(=O)[O-])C2)Cc2ccccc21 ZINC000834061437 606112810 /nfs/dbraw/zinc/11/28/10/606112810.db2.gz UKFMBRLOUUSRAW-AAEUAGOBSA-N -2 0 318.329 1.197 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)[C@H]2CCC[C@H]2NC(=O)[O-])CC1 ZINC000834060640 606113390 /nfs/dbraw/zinc/11/33/90/606113390.db2.gz UGCZTKOUHWRWBC-NWDGAFQWSA-N -2 0 312.366 1.526 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000834059131 606113621 /nfs/dbraw/zinc/11/36/21/606113621.db2.gz GSFFLLPUFCBRHU-GFCCVEGCSA-N -2 0 312.366 1.480 20 0 DDADRL O=C([N-]N1Cc2ccccc2C1=O)c1c([O-])cc(F)cc1F ZINC000183849867 697495330 /nfs/dbraw/zinc/49/53/30/697495330.db2.gz ZDCGTDXFCVVYKU-UHFFFAOYSA-N -2 0 304.252 1.971 20 0 DDADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)c1 ZINC000776426191 698105884 /nfs/dbraw/zinc/10/58/84/698105884.db2.gz GYMGEWLNWDWHAD-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc(F)nc2)c1 ZINC000765142906 701000759 /nfs/dbraw/zinc/00/07/59/701000759.db2.gz LPLYXPSISXRHOB-UHFFFAOYSA-N -2 0 312.278 1.425 20 0 DDADRL COc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)C(F)F)cc1 ZINC000817419411 702376584 /nfs/dbraw/zinc/37/65/84/702376584.db2.gz GVKDRNQCSKQLAE-SECBINFHSA-N -2 0 309.290 1.353 20 0 DDADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC000842695021 702758118 /nfs/dbraw/zinc/75/81/18/702758118.db2.gz PMVGWTUARVVILH-MXWKQRLJSA-N -2 0 322.365 1.107 20 0 DDADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCC(F)F)c1Cl ZINC000844893493 703081602 /nfs/dbraw/zinc/08/16/02/703081602.db2.gz HVWWAEBLXOYJBG-UHFFFAOYSA-N -2 0 313.709 1.890 20 0 DDADRL Cc1csc(C(=O)[N-]n2c(=O)[n-][nH]c2=O)c1Br ZINC000820292095 704254055 /nfs/dbraw/zinc/25/40/55/704254055.db2.gz PKEGCXRSUMNINU-UHFFFAOYSA-N -2 0 319.140 1.206 20 0 DDADRL C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)C(=O)[O-] ZINC000856721687 704535387 /nfs/dbraw/zinc/53/53/87/704535387.db2.gz CZHDCMXJVGALNN-LURJTMIESA-N -2 0 321.738 1.037 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CC2)c(C)c1 ZINC000863952402 706045179 /nfs/dbraw/zinc/04/51/79/706045179.db2.gz VIILZJMZWFLOQC-GFCCVEGCSA-N -2 0 311.359 1.219 20 0 DDADRL Cc1ccccc1CS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C ZINC000863961591 706046877 /nfs/dbraw/zinc/04/68/77/706046877.db2.gz SJGVRMJKDIZOKI-LBPRGKRZSA-N -2 0 313.375 1.298 20 0 DDADRL Cc1ccsc1S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C ZINC000863962303 706046889 /nfs/dbraw/zinc/04/68/89/706046889.db2.gz YLRLVAYVXXHKED-MRVPVSSYSA-N -2 0 305.377 1.218 20 0 DDADRL Cc1ccc(CS(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])c(F)c1 ZINC000863960310 706047021 /nfs/dbraw/zinc/04/70/21/706047021.db2.gz LQIHTHBUSMATIQ-UHFFFAOYSA-N -2 0 317.338 1.191 20 0 DDADRL Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)c1 ZINC000863959897 706047044 /nfs/dbraw/zinc/04/70/44/706047044.db2.gz RGRKXBTYKUPEJO-LBPRGKRZSA-N -2 0 311.359 1.052 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@H]1CC2CCC1CC2 ZINC000863963647 706047264 /nfs/dbraw/zinc/04/72/64/706047264.db2.gz CTTFEKWPAHBLOI-MMVSWEMESA-N -2 0 317.407 1.368 20 0 DDADRL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@H]1CC2CCC1CC2 ZINC000863964267 706047911 /nfs/dbraw/zinc/04/79/11/706047911.db2.gz QAPYVRIPLVZXJM-RTBKNWGFSA-N -2 0 303.380 1.122 20 0 DDADRL O=C([O-])[C@H]1CSCCN1C(=O)NCc1ccc(O)c(F)c1 ZINC000909049769 712925986 /nfs/dbraw/zinc/92/59/86/712925986.db2.gz UJUCJEOJWHXKSL-SNVBAGLBSA-N -2 0 314.338 1.243 20 0 DDADRL C[C@@H]1CCN(C(=O)NCc2ccc(O)c(F)c2)[C@H](C(=O)[O-])C1 ZINC000909050102 712926009 /nfs/dbraw/zinc/92/60/09/712926009.db2.gz WZGCFMKCIXPHLO-SKDRFNHKSA-N -2 0 310.325 1.926 20 0 DDADRL Cc1c(F)cccc1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910181554 709800187 /nfs/dbraw/zinc/80/01/87/709800187.db2.gz CHZGJAFSMNBVCR-SKDRFNHKSA-N -2 0 309.293 1.524 20 0 DDADRL Cc1cc(C)c(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])s1 ZINC000910181454 709800259 /nfs/dbraw/zinc/80/02/59/709800259.db2.gz DMVDUOHKGASFPV-ZJUUUORDSA-N -2 0 311.359 1.755 20 0 DDADRL CCc1cccc(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910183889 709801002 /nfs/dbraw/zinc/80/10/02/709801002.db2.gz OSQPYQMDHJNRFU-KBPBESRZSA-N -2 0 319.357 1.568 20 0 DDADRL CC1(C)CCC(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])CC1 ZINC000910184336 709801580 /nfs/dbraw/zinc/80/15/80/709801580.db2.gz PJIJAPHHZQMCPK-NWDGAFQWSA-N -2 0 311.378 1.979 20 0 DDADRL C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccccc1 ZINC000910186625 709802453 /nfs/dbraw/zinc/80/24/53/709802453.db2.gz SUXJKRDUZCXILZ-XBFCOCLRSA-N -2 0 319.357 1.957 20 0 DDADRL Cc1cc(C)cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910186871 709802622 /nfs/dbraw/zinc/80/26/22/709802622.db2.gz WCOCRGULTSLMCE-DGCLKSJQSA-N -2 0 305.330 1.693 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccccc2Cl)C1 ZINC000910186400 709802686 /nfs/dbraw/zinc/80/26/86/709802686.db2.gz QEVJHIJVCGIEBI-KWQFWETISA-N -2 0 311.721 1.730 20 0 DDADRL C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccsc1 ZINC000910192501 709805787 /nfs/dbraw/zinc/80/57/87/709805787.db2.gz SANPKIAAWNVSQE-ATZCPNFKSA-N -2 0 311.359 1.628 20 0 DDADRL CSc1ccccc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910191794 709805842 /nfs/dbraw/zinc/80/58/42/709805842.db2.gz MEOGVTZSUDUTSR-GXSJLCMTSA-N -2 0 323.370 1.799 20 0 DDADRL O=C([O-])[C@@]1(CNC(=O)c2ccc([O-])c(Cl)c2)CCCOC1 ZINC000910307524 709880950 /nfs/dbraw/zinc/88/09/50/709880950.db2.gz ZIAZVFHDXSRBIP-CQSZACIVSA-N -2 0 313.737 1.657 20 0 DDADRL C[C@H]1CCCN(C(=O)Cc2ccccc2C(=O)[O-])[C@@H]1C(=O)[O-] ZINC000901693341 710120400 /nfs/dbraw/zinc/12/04/00/710120400.db2.gz BXTRJKCKBQTQSC-HZMBPMFUSA-N -2 0 305.330 1.639 20 0 DDADRL CCC[C@@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906821411 712417704 /nfs/dbraw/zinc/41/77/04/712417704.db2.gz UWQFLAAZTHTMAR-SECBINFHSA-N -2 0 301.364 1.900 20 0 DDADRL O=S(=O)([N-]c1ncc(Br)cc1[O-])C1CCC1 ZINC001188105083 744655101 /nfs/dbraw/zinc/65/51/01/744655101.db2.gz UGBMAKQEYULFKB-UHFFFAOYSA-N -2 0 307.169 1.844 20 0 DDADRL Cc1ccnc(CNC(=O)c2ccccc2OP(=O)([O-])[O-])n1 ZINC001189861472 745003490 /nfs/dbraw/zinc/00/34/90/745003490.db2.gz SQSDSGQJRGSLAC-UHFFFAOYSA-N -2 0 323.245 1.187 20 0 DDADRL CC1(C)C[C@H](CNC(=O)c2ccccc2OP(=O)([O-])[O-])O1 ZINC001189900271 745048524 /nfs/dbraw/zinc/04/85/24/745048524.db2.gz XKQLJLFAKQHEPB-SECBINFHSA-N -2 0 315.262 1.455 20 0 DDADRL CC[C@H](COC)NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189898785 745048553 /nfs/dbraw/zinc/04/85/53/745048553.db2.gz IARRUTIRQDLHAY-SECBINFHSA-N -2 0 303.251 1.313 20 0 DDADRL CC1(C)[C@H](O)C[C@H]1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189899297 745048563 /nfs/dbraw/zinc/04/85/63/745048563.db2.gz NYAXQRRTRRSEDK-GHMZBOCLSA-N -2 0 315.262 1.047 20 0 DDADRL CCOc1ccc(S(=O)(=O)[N-]c2ccncn2)cc1C(=O)[O-] ZINC001192608422 745841119 /nfs/dbraw/zinc/84/11/19/745841119.db2.gz LTENCTZQLVRILM-UHFFFAOYSA-N -2 0 323.330 1.374 20 0 DDADRL CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccc(F)c(F)c1[O-] ZINC001193061398 745976594 /nfs/dbraw/zinc/97/65/94/745976594.db2.gz VWPPBFJGAKXAJT-UHFFFAOYSA-N -2 0 323.317 1.754 20 0 DDADRL O=P([O-])([O-])OCCNc1ccc2ccc(Cl)nc2n1 ZINC001168585663 751174113 /nfs/dbraw/zinc/17/41/13/751174113.db2.gz ASROZRCLGFGMRK-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL COc1c(C)nc(C2CC2)nc1NCCOP(=O)([O-])[O-] ZINC001168589926 751205927 /nfs/dbraw/zinc/20/59/27/751205927.db2.gz QUPHEYNJYHQHNO-UHFFFAOYSA-N -2 0 303.255 1.192 20 0 DDADRL Cc1cc(C(F)(F)F)c(NCCOP(=O)([O-])[O-])nn1 ZINC001168590228 751207813 /nfs/dbraw/zinc/20/78/13/751207813.db2.gz WWSHQOSVIVDYAB-UHFFFAOYSA-N -2 0 301.161 1.325 20 0 DDADRL CCOC(=O)c1cnc(N)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237003 778087652 /nfs/dbraw/zinc/08/76/52/778087652.db2.gz SICNJUWONWMCPD-UHFFFAOYSA-N -2 0 319.273 1.028 20 0 DDADRL Cn1c(C(=O)NCCOP(=O)([O-])[O-])cc2ccc(F)cc21 ZINC001153851342 864157987 /nfs/dbraw/zinc/15/79/87/864157987.db2.gz XPMJKLLKPUGLHH-UHFFFAOYSA-N -2 0 316.225 1.157 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1ccc2cc(F)ccc2n1 ZINC001153898171 864207037 /nfs/dbraw/zinc/20/70/37/864207037.db2.gz QUKYMVGORSGMOB-UHFFFAOYSA-N -2 0 314.209 1.213 20 0 DDADRL O=C([O-])c1cc(Nc2ccc(S(=O)(=O)[O-])cc2)cnc1F ZINC001215111160 876570371 /nfs/dbraw/zinc/57/03/71/876570371.db2.gz CWDUMBSDKPAAQX-UHFFFAOYSA-N -2 0 312.278 1.909 20 0 DDADRL CC1=C[C@H](Oc2ccc(OP(=O)([O-])[O-])cc2)CC(=O)O1 ZINC001234338977 887882176 /nfs/dbraw/zinc/88/21/76/887882176.db2.gz MSHJMABWSQSAKM-NSHDSACASA-N -2 0 300.203 1.756 20 0 DDADRL O=P([O-])([O-])OCCNC(=S)Nc1c(F)cccc1F ZINC001247099470 893105799 /nfs/dbraw/zinc/10/57/99/893105799.db2.gz HUQQWGFUEKOQFI-UHFFFAOYSA-N -2 0 312.234 1.361 20 0 DDADRL O=S(=O)([O-])c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC001252347144 895087991 /nfs/dbraw/zinc/08/79/91/895087991.db2.gz KTRSHBWJHAZJIF-UHFFFAOYSA-N -2 0 305.255 1.195 20 0 DDADRL O=c1[nH]cnc([O-])c1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001259035636 898435662 /nfs/dbraw/zinc/43/56/62/898435662.db2.gz PKJLZJPQHXSIRE-UHFFFAOYSA-N -2 0 321.236 1.106 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2noc3cccnc23)cc1 ZINC001260220743 899092488 /nfs/dbraw/zinc/09/24/88/899092488.db2.gz KSQICPHRXGNRBQ-UHFFFAOYSA-N -2 0 319.298 1.722 20 0 DDADRL CC(C)(CCNC(=O)N1CCC[C@@H](CC(=O)[O-])C1)C(=O)[O-] ZINC000565358180 304064761 /nfs/dbraw/zinc/06/47/61/304064761.db2.gz LDYITFGOJYPXIV-JTQLQIEISA-N -2 0 300.355 1.384 20 0 DDADRL COC(=O)Cc1c(C)[n-]n(-c2cccc(C(=O)[O-])c2C)c1=O ZINC000601949051 358749718 /nfs/dbraw/zinc/74/97/18/358749718.db2.gz JLZPHFONEVXILX-NSHDSACASA-N -2 0 304.302 1.595 20 0 DDADRL Cn1cnc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1 ZINC000069774309 406772216 /nfs/dbraw/zinc/77/22/16/406772216.db2.gz JXBWQMZSXXRQFU-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000014097370 406869905 /nfs/dbraw/zinc/86/99/05/406869905.db2.gz XSXAFTSOWPYGRB-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL CC(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000273359436 408166518 /nfs/dbraw/zinc/16/65/18/408166518.db2.gz ASKDIVMVZPCNLG-LBPRGKRZSA-N -2 0 313.375 1.906 20 0 DDADRL CCc1ccc(S(=O)(=O)[N-]c2cncnc2)cc1C(=O)[O-] ZINC000231773587 163351602 /nfs/dbraw/zinc/35/16/02/163351602.db2.gz KBGQOUGWAYCBMN-UHFFFAOYSA-N -2 0 307.331 1.538 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](NC(=O)N=c2nc3cc(Cl)ccn3[n-]2)C1 ZINC000647703074 423005714 /nfs/dbraw/zinc/00/57/14/423005714.db2.gz MDFUENUBVLQTOV-APPZFPTMSA-N -2 0 323.740 1.179 20 0 DDADRL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2c(F)cc(F)cc2F)CC1 ZINC000650426083 423154137 /nfs/dbraw/zinc/15/41/37/423154137.db2.gz APGMNEWAJXZINS-LURJTMIESA-N -2 0 323.292 1.636 20 0 DDADRL O=C(c1ccc([O-])c(Cl)c1)N1CCc2c(=O)[nH]cnc2C1 ZINC000436827651 420372413 /nfs/dbraw/zinc/37/24/13/420372413.db2.gz FCIIGZWACBZJGU-UHFFFAOYSA-N -2 0 305.721 1.740 20 0 DDADRL CN(CCCC(=O)[O-])C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000417737805 420464223 /nfs/dbraw/zinc/46/42/23/420464223.db2.gz OLCKFLGXAOPPTO-UHFFFAOYSA-N -2 0 320.374 1.956 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCCC[C@]1(C)C(=O)[O-] ZINC000547886998 421376742 /nfs/dbraw/zinc/37/67/42/421376742.db2.gz LOOJDJZWRLHQKK-MRTMQBJTSA-N -2 0 317.329 1.890 20 0 DDADRL CCn1cncc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000548527061 421447800 /nfs/dbraw/zinc/44/78/00/421447800.db2.gz RTZINGSWSUHSDU-UHFFFAOYSA-N -2 0 311.319 1.108 20 0 DDADRL C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1cc([O-])cc(F)c1 ZINC000630444374 422106861 /nfs/dbraw/zinc/10/68/61/422106861.db2.gz XUOOZYBEWIPFRA-IUCAKERBSA-N -2 0 317.338 1.405 20 0 DDADRL O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC000653280693 423416593 /nfs/dbraw/zinc/41/65/93/423416593.db2.gz FFQSDARPSCCDEW-SNVBAGLBSA-N -2 0 306.318 1.497 20 0 DDADRL C[C@H](CNC(=O)N=c1nc(-c2ccsc2)[n-]s1)C(=O)[O-] ZINC000653542135 423519021 /nfs/dbraw/zinc/51/90/21/423519021.db2.gz HMGJIPMNVYWEFX-ZCFIWIBFSA-N -2 0 312.376 1.531 20 0 DDADRL O=C([O-])COc1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000659763311 424231789 /nfs/dbraw/zinc/23/17/89/424231789.db2.gz HWMDHSOLNQCKAF-WDEREUQCSA-N -2 0 307.302 1.133 20 0 DDADRL C[C@H]1CCCN(C(=O)c2cccc(OCC(=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000659764304 424232211 /nfs/dbraw/zinc/23/22/11/424232211.db2.gz OWBXOJNDRHBSOR-HZMBPMFUSA-N -2 0 321.329 1.475 20 0 DDADRL O=C([O-])C[C@H]1CCCN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000665318245 424781591 /nfs/dbraw/zinc/78/15/91/424781591.db2.gz SFPHGZJTXLSARV-ZYHUDNBSSA-N -2 0 312.366 1.384 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2cnc(C)nc2)sc1C(=O)[O-] ZINC000343274180 271710718 /nfs/dbraw/zinc/71/07/18/271710718.db2.gz JSRDHGUJFNGGOV-UHFFFAOYSA-N -2 0 313.360 1.654 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cn1 ZINC000357014615 306867591 /nfs/dbraw/zinc/86/75/91/306867591.db2.gz BPBRXQUFKDIZSX-UHFFFAOYSA-N -2 0 322.342 1.518 20 0 DDADRL O=C(NC1(c2nnn[n-]2)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000575923232 308282459 /nfs/dbraw/zinc/28/24/59/308282459.db2.gz LRILUOCZNOVXPZ-UHFFFAOYSA-N -2 0 314.132 1.631 20 0 DDADRL CC(C)(C(=O)[O-])n1cc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)cn1 ZINC000663128168 484689926 /nfs/dbraw/zinc/68/99/26/484689926.db2.gz FVOUOOOTKGRLHF-AWEZNQCLSA-N -2 0 309.322 1.142 20 0 DDADRL O=C([O-])[C@H](C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)C1CC1 ZINC000663132979 484693025 /nfs/dbraw/zinc/69/30/25/484693025.db2.gz NAVURYLNUXYFEL-OLZOCXBDSA-N -2 0 303.314 1.308 20 0 DDADRL C[C@H](C(=O)[O-])N(C)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000817768612 596934941 /nfs/dbraw/zinc/93/49/41/596934941.db2.gz GVHZZWZZZZOWGH-MRVPVSSYSA-N -2 0 307.281 1.262 20 0 DDADRL O=C([O-])NCCCC(=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000739956616 599797638 /nfs/dbraw/zinc/79/76/38/599797638.db2.gz HYHKELHHPHKDGP-NTMALXAHSA-N -2 0 312.347 1.151 20 0 DDADRL CCc1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])s1 ZINC000737257054 600465163 /nfs/dbraw/zinc/46/51/63/600465163.db2.gz XYVWOFOFOFGZAB-UHFFFAOYSA-N -2 0 305.377 1.235 20 0 DDADRL COc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C(=O)[O-])c1 ZINC000832403746 600669389 /nfs/dbraw/zinc/66/93/89/600669389.db2.gz ABXIIRHYYZRXNV-MNOVXSKESA-N -2 0 319.313 1.999 20 0 DDADRL CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000829208595 600940997 /nfs/dbraw/zinc/94/09/97/600940997.db2.gz MPEDMXRNDPWRTD-ZETCQYMHSA-N -2 0 305.377 1.687 20 0 DDADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)/C=C/C2CC2)cc1 ZINC000833093095 600943826 /nfs/dbraw/zinc/94/38/26/600943826.db2.gz TZXZKMMDUOEFEZ-VMPITWQZSA-N -2 0 309.343 1.297 20 0 DDADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000079704981 600981783 /nfs/dbraw/zinc/98/17/83/600981783.db2.gz SOFTWHXKUNEACC-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3[nH+]ccn3c2)c[n-]1 ZINC000833305990 600984907 /nfs/dbraw/zinc/98/49/07/600984907.db2.gz AMDQKKRKOPYXFJ-UHFFFAOYSA-N -2 0 306.303 1.161 20 0 DDADRL CCCN(CC(=O)[O-])C(=O)CSc1n[n-]c(=S)s1 ZINC000829468598 601277923 /nfs/dbraw/zinc/27/79/23/601277923.db2.gz BLPOIRLYVIRBMC-UHFFFAOYSA-N -2 0 307.422 1.242 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)no1 ZINC000830224402 601363684 /nfs/dbraw/zinc/36/36/84/601363684.db2.gz NCUKZPUZPSRSTB-UHFFFAOYSA-N -2 0 302.333 1.798 20 0 DDADRL COc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000094854489 601491702 /nfs/dbraw/zinc/49/17/02/601491702.db2.gz AMILVZVYQXTMHI-UHFFFAOYSA-N -2 0 315.278 1.926 20 0 DDADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000833347049 601603172 /nfs/dbraw/zinc/60/31/72/601603172.db2.gz SNEGOPJADMDFRE-UHFFFAOYSA-N -2 0 302.308 1.781 20 0 DDADRL C[C@@H](CS(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-])C(=O)[O-] ZINC000827571728 601615678 /nfs/dbraw/zinc/61/56/78/601615678.db2.gz QENQCUVNHWPPCC-LURJTMIESA-N -2 0 321.738 1.501 20 0 DDADRL C[C@@H]1CN(C(=O)CSc2n[n-]c(=S)s2)C[C@H]1C(=O)[O-] ZINC000828340518 601759316 /nfs/dbraw/zinc/75/93/16/601759316.db2.gz IZRKCBIGGVAPNE-PHDIDXHHSA-N -2 0 319.433 1.098 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)cc1F ZINC000832955874 601783614 /nfs/dbraw/zinc/78/36/14/601783614.db2.gz QCBAEKCHCVJKQC-UHFFFAOYSA-N -2 0 312.322 1.972 20 0 DDADRL Cn1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000833052576 601784862 /nfs/dbraw/zinc/78/48/62/601784862.db2.gz BCNCDOYYOGRNBN-UHFFFAOYSA-N -2 0 324.314 1.222 20 0 DDADRL O=C([O-])c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cn1 ZINC000833124406 601821939 /nfs/dbraw/zinc/82/19/39/601821939.db2.gz GJQSATBNLAZLEL-LBPRGKRZSA-N -2 0 318.260 1.475 20 0 DDADRL CSc1n[nH]c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000145447514 601847390 /nfs/dbraw/zinc/84/73/90/601847390.db2.gz HKWRNENYDUHUQI-UHFFFAOYSA-N -2 0 314.348 1.026 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3ccccc3n2)c[nH]1 ZINC000833306278 601848102 /nfs/dbraw/zinc/84/81/02/601848102.db2.gz MDPHVBOSGYWUNC-UHFFFAOYSA-N -2 0 318.314 1.457 20 0 DDADRL COc1ccsc1S(=O)(=O)[N-]c1cnccc1C(=O)[O-] ZINC000832642677 602101694 /nfs/dbraw/zinc/10/16/94/602101694.db2.gz AXFUEGAWNZCWGD-UHFFFAOYSA-N -2 0 314.344 1.651 20 0 DDADRL Cc1cc([N-]C(=O)c2nc([C@H](CC(C)C)NC(=O)[O-])no2)no1 ZINC000740091556 602410649 /nfs/dbraw/zinc/41/06/49/602410649.db2.gz QOLQBSXLMKQPLA-QMMMGPOBSA-N -2 0 323.309 1.973 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)[O-] ZINC000739303202 602728604 /nfs/dbraw/zinc/72/86/04/602728604.db2.gz ULVSOBJQIGPUDT-NXEZZACHSA-N -2 0 306.384 1.011 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000736964386 602728651 /nfs/dbraw/zinc/72/86/51/602728651.db2.gz DLBGFYWZEMEBCR-QWRGUYRKSA-N -2 0 322.427 1.551 20 0 DDADRL CCC[C@@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)c1nnn[n-]1 ZINC000826765622 603565383 /nfs/dbraw/zinc/56/53/83/603565383.db2.gz SMHUHXZUMXEJLC-LLVKDONJSA-N -2 0 318.337 1.239 20 0 DDADRL O=C([O-])NC[C@@H]1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000832590518 603730335 /nfs/dbraw/zinc/73/03/35/603730335.db2.gz VPNRNLCSMZLPLM-QMMMGPOBSA-N -2 0 321.358 1.846 20 0 DDADRL O=C([O-])C[C@H]1CN(C(=O)c2cc(F)cc(Cl)c2[O-])CCO1 ZINC000833218169 604304575 /nfs/dbraw/zinc/30/45/75/604304575.db2.gz UGXRDACELIZRGV-QMMMGPOBSA-N -2 0 317.700 1.500 20 0 DDADRL C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000828016646 604537956 /nfs/dbraw/zinc/53/79/56/604537956.db2.gz NDYTZNBAFSSYJN-HNNXBMFYSA-N -2 0 307.302 1.087 20 0 DDADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000316851805 604666558 /nfs/dbraw/zinc/66/65/58/604666558.db2.gz MOJSZINUVSHQJF-UHFFFAOYSA-N -2 0 320.326 1.516 20 0 DDADRL CCOc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833665800 605185435 /nfs/dbraw/zinc/18/54/35/605185435.db2.gz XZQQMXAYXJORGC-UHFFFAOYSA-N -2 0 312.303 1.572 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)C2CCN(C(=O)[O-])CC2)C1 ZINC000834060559 605310653 /nfs/dbraw/zinc/31/06/53/605310653.db2.gz RNQTYBBUKXACKO-NSHDSACASA-N -2 0 312.366 1.480 20 0 DDADRL C[C@@H](CNC(=O)[O-])N(C)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000824967520 605692045 /nfs/dbraw/zinc/69/20/45/605692045.db2.gz SAHFXFYRTPUGAW-LURJTMIESA-N -2 0 304.705 1.913 20 0 DDADRL O=C([O-])CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000834064693 606048094 /nfs/dbraw/zinc/04/80/94/606048094.db2.gz FHKOEXBSHSRJMM-CHWSQXEVSA-N -2 0 320.345 1.536 20 0 DDADRL O=C([O-])CC1(NC(=O)[C@H]2CCCN(C(=O)[O-])C2)CCCCC1 ZINC000834061195 606052804 /nfs/dbraw/zinc/05/28/04/606052804.db2.gz QFBHVZXWUHCNJG-NSHDSACASA-N -2 0 312.366 1.670 20 0 DDADRL O=C([O-])Cc1ccccc1NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000834067463 606052906 /nfs/dbraw/zinc/05/29/06/606052906.db2.gz DYEVWENTRJYNTN-WDEREUQCSA-N -2 0 306.318 1.689 20 0 DDADRL C[C@@H](C(=O)[O-])[C@H](NC(=O)CC1CN(C(=O)[O-])C1)c1ccccc1 ZINC000833791999 606054105 /nfs/dbraw/zinc/05/41/05/606054105.db2.gz XMVCIBUKBNCBHW-YGRLFVJLSA-N -2 0 320.345 1.565 20 0 DDADRL O=C([O-])[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)[O-])Cc1ccccc1 ZINC000834057512 606058264 /nfs/dbraw/zinc/05/82/64/606058264.db2.gz FISDFVSXMQAVCB-OLZOCXBDSA-N -2 0 320.345 1.189 20 0 DDADRL O=C([O-])NC1(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)CCCC1 ZINC000834151023 606065589 /nfs/dbraw/zinc/06/55/89/606065589.db2.gz IZXDBTXHRTWFLG-GFCCVEGCSA-N -2 0 320.345 1.551 20 0 DDADRL O=C(NCCc1n[n-]c(=S)o1)c1ccc2[n-]c(=S)oc2c1 ZINC000776536711 698114088 /nfs/dbraw/zinc/11/40/88/698114088.db2.gz MOEBACXMAZHNJN-UHFFFAOYSA-N -2 0 322.371 1.761 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](Cc1ccco1)C(=O)[O-] ZINC000776541698 698114698 /nfs/dbraw/zinc/11/46/98/698114698.db2.gz HSZMXCIOWOCVMZ-POYBYMJQSA-N -2 0 315.269 1.146 20 0 DDADRL Cc1oncc1[N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000768285083 701166501 /nfs/dbraw/zinc/16/65/01/701166501.db2.gz JKMAKPWNXCEFFT-UHFFFAOYSA-N -2 0 314.294 1.930 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1csc(-c2ccccc2F)n1 ZINC000816731797 702168418 /nfs/dbraw/zinc/16/84/18/702168418.db2.gz FWIWUDJCAKSQOV-UHFFFAOYSA-N -2 0 321.293 1.336 20 0 DDADRL CC(C)C[C@H](CNC(=O)N1CC[C@@](C)(C(=O)[O-])C1)CC(=O)[O-] ZINC000851650962 703822763 /nfs/dbraw/zinc/82/27/63/703822763.db2.gz HWFZLKYFMYWBQL-XHDPSFHLSA-N -2 0 314.382 1.630 20 0 DDADRL CC(C)C[C@@H](CNC(=O)C(=O)[N-]OCc1ccccc1)C(=O)[O-] ZINC000818659152 703953211 /nfs/dbraw/zinc/95/32/11/703953211.db2.gz LOKPOUULQNGGQJ-ZDUSSCGKSA-N -2 0 322.361 1.098 20 0 DDADRL CC(C)(C)CS(=O)(=O)[N-]C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000823766262 705313021 /nfs/dbraw/zinc/31/30/21/705313021.db2.gz LFHIAGXQZUXHGN-UHFFFAOYSA-N -2 0 318.351 1.153 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccs2)C1 ZINC000863952036 706044765 /nfs/dbraw/zinc/04/47/65/706044765.db2.gz HXXFJMVCUOXMEI-JGVFFNPUSA-N -2 0 303.361 1.054 20 0 DDADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000863952901 706045103 /nfs/dbraw/zinc/04/51/03/706045103.db2.gz HUGQYGPHKYQRQH-JTQLQIEISA-N -2 0 317.338 1.378 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])cc1 ZINC000863953757 706045502 /nfs/dbraw/zinc/04/55/02/706045502.db2.gz XQQJTKKDQZHRNW-UHFFFAOYSA-N -2 0 315.347 1.145 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000863959623 706046492 /nfs/dbraw/zinc/04/64/92/706046492.db2.gz LAERHZZLODXFGG-VIFPVBQESA-N -2 0 321.301 1.127 20 0 DDADRL Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)cc1 ZINC000863962179 706046885 /nfs/dbraw/zinc/04/68/85/706046885.db2.gz VOGNMOPGTXOEFI-GFCCVEGCSA-N -2 0 313.375 1.298 20 0 DDADRL CCc1ccccc1S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C ZINC000863960577 706047109 /nfs/dbraw/zinc/04/71/09/706047109.db2.gz VJRIAPGUSJLJQU-GFCCVEGCSA-N -2 0 313.375 1.411 20 0 DDADRL O=C([O-])c1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC000900469952 709611005 /nfs/dbraw/zinc/61/10/05/709611005.db2.gz PLPGEPPYRHUJGS-QWHCGFSZSA-N -2 0 303.314 1.568 20 0 DDADRL CC(C)(CC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])CC(F)F ZINC000910181835 709800527 /nfs/dbraw/zinc/80/05/27/709800527.db2.gz GNFCDMQVHCWZNV-IUCAKERBSA-N -2 0 321.320 1.834 20 0 DDADRL CC1(C)CCC[C@H](C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])C1 ZINC000910183501 709801149 /nfs/dbraw/zinc/80/11/49/709801149.db2.gz LOEOJSQXQOHDGP-SRVKXCTJSA-N -2 0 311.378 1.979 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000910185416 709802052 /nfs/dbraw/zinc/80/20/52/709802052.db2.gz ZHVXSUOHANBXMB-OHBODLIOSA-N -2 0 323.370 1.628 20 0 DDADRL CSC[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)C(=O)[O-] ZINC000910874369 710103041 /nfs/dbraw/zinc/10/30/41/710103041.db2.gz AFOQTWXIFGYREK-QMMMGPOBSA-N -2 0 307.730 1.731 20 0 DDADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)C1 ZINC000901652060 710108737 /nfs/dbraw/zinc/10/87/37/710108737.db2.gz UALQSLJUEVNPQZ-NXEZZACHSA-N -2 0 311.378 1.693 20 0 DDADRL C[C@H]1CN(C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)CC[C@@H]1C(=O)[O-] ZINC000902182611 710652708 /nfs/dbraw/zinc/65/27/08/710652708.db2.gz ZYHVFDFOBGDZNL-UWVGGRQHSA-N -2 0 311.378 1.693 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)N[C@@H]1CCCC2(CC2)C1 ZINC000903545816 711182466 /nfs/dbraw/zinc/18/24/66/711182466.db2.gz BKGIUAUWUQLFPU-MRVPVSSYSA-N -2 0 316.404 1.842 20 0 DDADRL CCc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cn1 ZINC001185876358 744297552 /nfs/dbraw/zinc/29/75/52/744297552.db2.gz NFOGWGVVILFJQP-UHFFFAOYSA-N -2 0 321.358 1.846 20 0 DDADRL COC1CC(CNC(=O)c2ccccc2OP(=O)([O-])[O-])C1 ZINC001189905754 745023225 /nfs/dbraw/zinc/02/32/25/745023225.db2.gz XZGMXSBGZIDMSH-UHFFFAOYSA-N -2 0 315.262 1.313 20 0 DDADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cncc(O)c2)cc1 ZINC001192682753 745860844 /nfs/dbraw/zinc/86/08/44/745860844.db2.gz DLWYBGCFNSFZEC-UHFFFAOYSA-N -2 0 324.314 1.051 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(Cl)ccc1C1OCCO1 ZINC001168589160 751200976 /nfs/dbraw/zinc/20/09/76/751200976.db2.gz FBBYVNRTKLDDFC-UHFFFAOYSA-N -2 0 324.657 1.302 20 0 DDADRL O=P([O-])([O-])OCCNc1cc(Cl)nc2cnccc21 ZINC001168590257 751208121 /nfs/dbraw/zinc/20/81/21/751208121.db2.gz YKHAIUSVRIHNNA-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL O=P([O-])([O-])OCCNc1nccc(Br)c1F ZINC001168591919 751224480 /nfs/dbraw/zinc/22/44/80/751224480.db2.gz ITHMPTGJYDZHMW-UHFFFAOYSA-N -2 0 315.035 1.504 20 0 DDADRL Nc1cncc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c1 ZINC001174949933 777645719 /nfs/dbraw/zinc/64/57/19/777645719.db2.gz LSZVCRCPDFLEPR-UHFFFAOYSA-N -2 0 307.331 1.092 20 0 DDADRL O=C(/C=C/c1cc(F)cc(F)c1)NCCOP(=O)([O-])[O-] ZINC001179568632 779408102 /nfs/dbraw/zinc/40/81/02/779408102.db2.gz QILOSKLBQCXWNA-OWOJBTEDSA-N -2 0 307.189 1.204 20 0 DDADRL CS(=O)(=O)c1cccc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001239838177 890755903 /nfs/dbraw/zinc/75/59/03/890755903.db2.gz DWSYTAXLYDLLMB-UHFFFAOYSA-N -2 0 312.283 1.560 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ncnc3c2COCC3)c1 ZINC001242158917 891353826 /nfs/dbraw/zinc/35/38/26/891353826.db2.gz CBARRLWGGCQBKS-UHFFFAOYSA-N -2 0 300.270 1.613 20 0 DDADRL CCOC(=O)c1cnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001242159288 891353915 /nfs/dbraw/zinc/35/39/15/891353915.db2.gz KTCYQOJIYFFGDI-UHFFFAOYSA-N -2 0 316.269 1.717 20 0 DDADRL O=C([O-])Cc1cccc(-c2ccc3c(c2)S(=O)(=O)[N-]C3=O)c1 ZINC001242263400 891379338 /nfs/dbraw/zinc/37/93/38/891379338.db2.gz CFCQHFDPSUHQAL-UHFFFAOYSA-N -2 0 317.322 1.413 20 0 DDADRL COC(=O)COc1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cn1 ZINC001243634415 891688995 /nfs/dbraw/zinc/68/89/95/891688995.db2.gz FQWJNGSJNWIKAZ-UHFFFAOYSA-N -2 0 323.241 1.103 20 0 DDADRL Cc1cc(=O)n(-c2ccc(-c3cnc(F)c(C(=O)[O-])c3)nn2)[n-]1 ZINC001244751173 891902203 /nfs/dbraw/zinc/90/22/03/891902203.db2.gz FEUCSMVOYCRDOC-UHFFFAOYSA-N -2 0 315.264 1.489 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)nc(F)c2)cc1 ZINC001260221742 899095676 /nfs/dbraw/zinc/09/56/76/899095676.db2.gz QMQUFNDSAHUBGT-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL CCOc1cncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001260222282 899095811 /nfs/dbraw/zinc/09/58/11/899095811.db2.gz UOCJFIKYMADRIH-UHFFFAOYSA-N -2 0 322.342 1.979 20 0 DDADRL COc1c(O)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260229165 899100376 /nfs/dbraw/zinc/10/03/76/899100376.db2.gz UCEVSKIOYSPLKT-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1 ZINC000092890038 185347989 /nfs/dbraw/zinc/34/79/89/185347989.db2.gz ADWGSZWEBAPRCP-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL Cc1ncccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000091495258 193063965 /nfs/dbraw/zinc/06/39/65/193063965.db2.gz FUOBLGNDBVVUTE-UHFFFAOYSA-N -2 0 306.343 1.818 20 0 DDADRL N=c1[n-]nc(CNC(=O)c2cccc(C(F)(F)F)c2[O-])o1 ZINC000622523152 365430781 /nfs/dbraw/zinc/43/07/81/365430781.db2.gz XLVCVXSNSHXEGJ-UHFFFAOYSA-N -2 0 302.212 1.137 20 0 DDADRL Cc1oncc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000350299495 284179396 /nfs/dbraw/zinc/17/93/96/284179396.db2.gz GYGNKUPLKYYOMC-UHFFFAOYSA-N -2 0 314.294 1.930 20 0 DDADRL Cc1oncc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000350315828 284181634 /nfs/dbraw/zinc/18/16/34/284181634.db2.gz WCJRXPLWCMTSCF-UHFFFAOYSA-N -2 0 300.267 1.621 20 0 DDADRL CCn1nc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1C1CC1 ZINC000267487895 206100469 /nfs/dbraw/zinc/10/04/69/206100469.db2.gz VYVFMVRJQOIPHG-UHFFFAOYSA-N -2 0 324.362 1.608 20 0 DDADRL CN(CCCC(=O)[O-])C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000566833234 304184070 /nfs/dbraw/zinc/18/40/70/304184070.db2.gz XASWOUSXFCDEOM-UHFFFAOYSA-N -2 0 321.308 1.654 20 0 DDADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)N=c1[n-]ncs1 ZINC000338994329 250238639 /nfs/dbraw/zinc/23/86/39/250238639.db2.gz IFZIRTDJXZJFMK-UHFFFAOYSA-N -2 0 322.375 1.334 20 0 DDADRL Cn1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC000340093401 250868223 /nfs/dbraw/zinc/86/82/23/250868223.db2.gz HCAIHAPTTUZRTP-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(C)c(C(=O)[O-])c1 ZINC000352437040 285049721 /nfs/dbraw/zinc/04/97/21/285049721.db2.gz LHIUEHPKYNQVIM-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cnn3c2OCCC3)c1 ZINC000568469003 304294287 /nfs/dbraw/zinc/29/42/87/304294287.db2.gz NCEZJKSAYKKGEF-UHFFFAOYSA-N -2 0 323.330 1.165 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cn1 ZINC000066580148 407254282 /nfs/dbraw/zinc/25/42/82/407254282.db2.gz BFXDZNPJODQOQU-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL Cc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000433813640 229237000 /nfs/dbraw/zinc/23/70/00/229237000.db2.gz DTWWOCXLMPWEKO-UHFFFAOYSA-N -2 0 312.303 1.496 20 0 DDADRL C[C@@H]1CCN(C(=O)NCCCCCC(=O)[O-])C[C@@H]1C(=O)[O-] ZINC000572032600 304502926 /nfs/dbraw/zinc/50/29/26/304502926.db2.gz SNFDNWCQQVUUEG-MNOVXSKESA-N -2 0 300.355 1.384 20 0 DDADRL Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000516787209 421568399 /nfs/dbraw/zinc/56/83/99/421568399.db2.gz QTPHMZCTMRPTOV-KYZUINATSA-N -2 0 307.350 1.381 20 0 DDADRL CC(C)(C)c1nc(=NC(=O)c2cc(=O)[nH]c(C3CC3)n2)s[n-]1 ZINC000572732697 421851598 /nfs/dbraw/zinc/85/15/98/421851598.db2.gz MGMVQCJNZHDIAC-UHFFFAOYSA-N -2 0 319.390 1.883 20 0 DDADRL CC1(C(=O)[O-])CCN(C(=O)NC2CCC(C(=O)[O-])CC2)CC1 ZINC000646162138 423374009 /nfs/dbraw/zinc/37/40/09/423374009.db2.gz OAMGNZAFQYGRJJ-UHFFFAOYSA-N -2 0 312.366 1.526 20 0 DDADRL O=C(c1c([O-])cc(F)cc1F)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000648888412 423521937 /nfs/dbraw/zinc/52/19/37/423521937.db2.gz XFDKUHOVVJLHJZ-UHFFFAOYSA-N -2 0 324.287 1.514 20 0 DDADRL C[C@H]1CCCN(C(=O)c2cccc(OCC(=O)[O-])c2)[C@H]1C(=O)[O-] ZINC000659764318 424233264 /nfs/dbraw/zinc/23/32/64/424233264.db2.gz OWBXOJNDRHBSOR-IINYFYTJSA-N -2 0 321.329 1.475 20 0 DDADRL C[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655578830 424579784 /nfs/dbraw/zinc/57/97/84/424579784.db2.gz XCACBEMSPYIQGU-XHNCKOQMSA-N -2 0 321.333 1.040 20 0 DDADRL C[C@@H](CNC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)C(=O)[O-] ZINC000655880385 424689743 /nfs/dbraw/zinc/68/97/43/424689743.db2.gz WQUQBYKRWACUJT-WCQYABFASA-N -2 0 322.361 1.482 20 0 DDADRL Cn1ncc([N-]S(=O)(=O)c2cc3ccccc3o2)c1C(=O)[O-] ZINC000538094216 303382177 /nfs/dbraw/zinc/38/21/77/303382177.db2.gz RNQDHGXWLAABGV-UHFFFAOYSA-N -2 0 321.314 1.665 20 0 DDADRL Cn1cnc(=NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])[n-]1 ZINC000554456709 303696423 /nfs/dbraw/zinc/69/64/23/303696423.db2.gz SEDHEPSBQDQERO-UHFFFAOYSA-N -2 0 318.724 1.034 20 0 DDADRL COc1cc(S(=O)(=O)N[C@@H](CF)C(=O)[O-])ccc1Cl ZINC000577507733 308394154 /nfs/dbraw/zinc/39/41/54/308394154.db2.gz SBORXYAOMRXYTE-QMMMGPOBSA-N -2 0 311.718 1.050 20 0 DDADRL O=C([O-])[C@@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC000663022175 484606941 /nfs/dbraw/zinc/60/69/41/484606941.db2.gz GOQRBDHGJQMKNS-SECBINFHSA-N -2 0 319.292 1.264 20 0 DDADRL N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1CC(=O)[O-] ZINC000385850972 597314448 /nfs/dbraw/zinc/31/44/48/597314448.db2.gz DEAYWRVMTXLARJ-UHFFFAOYSA-N -2 0 316.338 1.986 20 0 DDADRL O=C([O-])Cc1ccccc1NC(=O)C(=O)[N-]OC1CCCC1 ZINC000821539775 598176074 /nfs/dbraw/zinc/17/60/74/598176074.db2.gz PPQVOYAVASJOLT-UHFFFAOYSA-N -2 0 306.318 1.243 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000821552119 598181496 /nfs/dbraw/zinc/18/14/96/598181496.db2.gz PSSIECOOMUXDPO-CHWSQXEVSA-N -2 0 303.314 1.668 20 0 DDADRL CCC[C@@](C)(NC(=O)c1nnc2ccccc2c1O)C(=O)[O-] ZINC000236983985 600175089 /nfs/dbraw/zinc/17/50/89/600175089.db2.gz PNGQGELCVWDYMN-OAHLLOKOSA-N -2 0 303.318 1.296 20 0 DDADRL O=C([O-])CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000037057037 600245472 /nfs/dbraw/zinc/24/54/72/600245472.db2.gz DWFYZOMEOSEDJA-UHFFFAOYSA-N -2 0 321.738 1.645 20 0 DDADRL COCCN(CC(=O)[O-])C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000737775310 600670279 /nfs/dbraw/zinc/67/02/79/600670279.db2.gz QUYPQMOTUUMLBQ-UHFFFAOYSA-N -2 0 310.331 1.290 20 0 DDADRL Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccn1 ZINC000319775426 600981814 /nfs/dbraw/zinc/98/18/14/600981814.db2.gz RJFAJYBMBRIHIB-UHFFFAOYSA-N -2 0 317.326 1.761 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000833345748 601832743 /nfs/dbraw/zinc/83/27/43/601832743.db2.gz XDABVHQQOGEFGS-UHFFFAOYSA-N -2 0 320.298 1.920 20 0 DDADRL CC(C)n1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cn1 ZINC000827186640 601839305 /nfs/dbraw/zinc/83/93/05/601839305.db2.gz ZMHAOWLMGPBMQV-UHFFFAOYSA-N -2 0 316.364 1.420 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])c[nH]1 ZINC000740240510 601999580 /nfs/dbraw/zinc/99/95/80/601999580.db2.gz VOQPLJLDRLQGTN-UHFFFAOYSA-N -2 0 322.346 1.559 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cccc(Cl)c1F ZINC000833228427 602037570 /nfs/dbraw/zinc/03/75/70/602037570.db2.gz ORMCHMLXCZHVID-UHFFFAOYSA-N -2 0 323.729 1.404 20 0 DDADRL CCN(CC(=O)[N-]S(=O)(=O)c1ccccc1Cl)C(=O)[O-] ZINC000739395630 602865092 /nfs/dbraw/zinc/86/50/92/602865092.db2.gz XVODVZZYSVOMMR-UHFFFAOYSA-N -2 0 320.754 1.145 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)[O-])cc1Cl ZINC000830415651 603437986 /nfs/dbraw/zinc/43/79/86/603437986.db2.gz VJGPODXPTHBQSI-SSDOTTSWSA-N -2 0 320.754 1.109 20 0 DDADRL COCCO[N-]C(=O)[C@@H](NC(=O)[O-])c1cccc(Cl)c1 ZINC000829007660 604086255 /nfs/dbraw/zinc/08/62/55/604086255.db2.gz LJINBIFWBZZVQR-JTQLQIEISA-N -2 0 302.714 1.343 20 0 DDADRL Cc1ccc(C(=O)[N-]S(=O)(=O)C(C)C)cc1NC(=O)[O-] ZINC000830225760 604245271 /nfs/dbraw/zinc/24/52/71/604245271.db2.gz WTPJCRJYJQYQBS-UHFFFAOYSA-N -2 0 300.336 1.553 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cncc(Cl)c2)c(C(=O)[O-])[nH]1 ZINC000833747369 604661759 /nfs/dbraw/zinc/66/17/59/604661759.db2.gz WVGUSMJPJLZQNT-UHFFFAOYSA-N -2 0 315.738 1.871 20 0 DDADRL CCc1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)n1 ZINC000833676413 604701783 /nfs/dbraw/zinc/70/17/83/604701783.db2.gz KMSPPJRQBFRLHM-UHFFFAOYSA-N -2 0 313.360 1.600 20 0 DDADRL COC[C@@](C)(NC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)[O-] ZINC000833720785 604730923 /nfs/dbraw/zinc/73/09/23/604730923.db2.gz GOPQLNXBQCSGOS-GFCCVEGCSA-N -2 0 322.144 1.919 20 0 DDADRL CC(C)CCS(=O)(=O)[N-]C(=O)C1CCC(C(=O)[O-])CC1 ZINC000833484540 605117598 /nfs/dbraw/zinc/11/75/98/605117598.db2.gz SJENQUDYOWTLGH-UHFFFAOYSA-N -2 0 305.396 1.370 20 0 DDADRL CC(C)(C)CCC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000823765903 605278534 /nfs/dbraw/zinc/27/85/34/605278534.db2.gz CYLNDCKRVKODTQ-SECBINFHSA-N -2 0 306.384 1.011 20 0 DDADRL C[C@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000833610048 605486679 /nfs/dbraw/zinc/48/66/79/605486679.db2.gz VIJYZCSRHDAYLT-CABZTGNLSA-N -2 0 311.359 1.626 20 0 DDADRL O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(Cl)c1[O-] ZINC000834055121 605540247 /nfs/dbraw/zinc/54/02/47/605540247.db2.gz ZEOOBUIUVDHGEK-HZGVNTEJSA-N -2 0 300.698 1.097 20 0 DDADRL O=C([O-])NC[C@H]1CCCCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000834219782 605854645 /nfs/dbraw/zinc/85/46/45/605854645.db2.gz LZDAQNPEGPDFPA-SECBINFHSA-N -2 0 314.288 1.933 20 0 DDADRL O=C([O-])N[C@H]1CC[C@H](C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000834168804 606027898 /nfs/dbraw/zinc/02/78/98/606027898.db2.gz IETTWSZRZKUSHR-RYUDHWBXSA-N -2 0 306.318 1.437 20 0 DDADRL O=C([O-])C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)[O-])c1ccccc1 ZINC000834059295 606029522 /nfs/dbraw/zinc/02/95/22/606029522.db2.gz AQJUNJMODNLOTF-QWHCGFSZSA-N -2 0 320.345 1.851 20 0 DDADRL O=C([O-])NC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CCCC1 ZINC000834152534 606030417 /nfs/dbraw/zinc/03/04/17/606030417.db2.gz RKTVBRSFCRUZSH-LBPRGKRZSA-N -2 0 320.345 1.379 20 0 DDADRL O=C([O-])NC1(CC(=O)N[C@@H](C(=O)[O-])c2ccccc2)CCC1 ZINC000834156182 606049119 /nfs/dbraw/zinc/04/91/19/606049119.db2.gz YAAJRLDYZZKHRB-GFCCVEGCSA-N -2 0 306.318 1.509 20 0 DDADRL O=C([O-])N[C@H](CC(=O)N[C@@H](C(=O)[O-])C1CC1)Cc1ccccc1 ZINC000834122437 606052866 /nfs/dbraw/zinc/05/28/66/606052866.db2.gz LQRGODJQOAOLJA-GXTWGEPZSA-N -2 0 320.345 1.235 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)[C@@H]2CCCCN2C(=O)[O-])c1 ZINC000834283880 606058527 /nfs/dbraw/zinc/05/85/27/606058527.db2.gz XDBGAOGICGNGHB-LBPRGKRZSA-N -2 0 306.318 1.534 20 0 DDADRL O=C([O-])[C@H](NC(=O)CN(CC1CC1)C(=O)[O-])c1ccccc1F ZINC000834005395 606068202 /nfs/dbraw/zinc/06/82/02/606068202.db2.gz CCBOEEOHSJBXDI-CYBMUJFWSA-N -2 0 324.308 1.458 20 0 DDADRL O=C(CC1CN(C(=O)[O-])C1)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000833986894 606069121 /nfs/dbraw/zinc/06/91/21/606069121.db2.gz BOYSGHHKDQVOFY-RYUDHWBXSA-N -2 0 312.366 1.526 20 0 DDADRL CSCCO[N-]C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000794193260 699796961 /nfs/dbraw/zinc/79/69/61/699796961.db2.gz JGJPNYCNHZOEDR-ZETCQYMHSA-N -2 0 302.318 1.100 20 0 DDADRL Cc1oncc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000768285104 701166787 /nfs/dbraw/zinc/16/67/87/701166787.db2.gz JTEYUTZGCGWXQI-UHFFFAOYSA-N -2 0 318.257 1.760 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)c(C)c1 ZINC000863951743 706044592 /nfs/dbraw/zinc/04/45/92/706044592.db2.gz BDWORWDACOZASZ-GFCCVEGCSA-N -2 0 313.375 1.465 20 0 DDADRL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])c1 ZINC000863951797 706044683 /nfs/dbraw/zinc/04/46/83/706044683.db2.gz CPTXQMRHQGRPQN-UHFFFAOYSA-N -2 0 313.375 1.753 20 0 DDADRL CCc1ncc(S(=O)(=O)N[C@](C)(CC(=O)[O-])C2CC2)s1 ZINC000871996929 707274989 /nfs/dbraw/zinc/27/49/89/707274989.db2.gz NMRUGDOQGMPXAQ-GFCCVEGCSA-N -2 0 318.420 1.627 20 0 DDADRL CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910185179 709801444 /nfs/dbraw/zinc/80/14/44/709801444.db2.gz VHYDMINNOSLHRS-WRWGMCAJSA-N -2 0 311.378 1.835 20 0 DDADRL Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c(C)s1 ZINC000910188583 709803410 /nfs/dbraw/zinc/80/34/10/709803410.db2.gz MKXYDRIEJKQKJP-GXSJLCMTSA-N -2 0 311.359 1.755 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CC2CCSCC2)C1 ZINC000910190606 709804703 /nfs/dbraw/zinc/80/47/03/709804703.db2.gz ALRSTGVKUMLTNA-MNOVXSKESA-N -2 0 315.391 1.296 20 0 DDADRL O=C(c1cc(Cl)ccc1O)N1CCC(c2nnn[n-]2)CC1 ZINC000913742548 713291642 /nfs/dbraw/zinc/29/16/42/713291642.db2.gz IMESVZNQZUWOEP-UHFFFAOYSA-N -2 0 307.741 1.579 20 0 DDADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000907122628 712493018 /nfs/dbraw/zinc/49/30/18/712493018.db2.gz AMNVXIRJXLUBHJ-PHIMTYICSA-N -2 0 311.359 1.511 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000907732142 712619826 /nfs/dbraw/zinc/61/98/26/712619826.db2.gz SMAPSRDGJXEBJX-NWBUJAPZSA-N -2 0 309.362 1.589 20 0 DDADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccncn2)c1 ZINC001187545777 744578159 /nfs/dbraw/zinc/57/81/59/744578159.db2.gz WBOYLUJGQSXHOZ-UHFFFAOYSA-N -2 0 313.722 1.629 20 0 DDADRL Cc1ncc(CNC(=O)c2ccccc2OP(=O)([O-])[O-])cn1 ZINC001189899770 745048494 /nfs/dbraw/zinc/04/84/94/745048494.db2.gz HOWCNZAEJGYPPR-UHFFFAOYSA-N -2 0 323.245 1.187 20 0 DDADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cncs2)cc1 ZINC001192686600 745862956 /nfs/dbraw/zinc/86/29/56/745862956.db2.gz VROQUAMDTSSXKG-UHFFFAOYSA-N -2 0 314.344 1.407 20 0 DDADRL Cc1nc(C(C)(C)C)nc(NCCOP(=O)([O-])[O-])c1C ZINC001168589322 751200603 /nfs/dbraw/zinc/20/06/03/751200603.db2.gz GOHHQWSKHMEFJM-UHFFFAOYSA-N -2 0 303.299 1.912 20 0 DDADRL CC1(c2cccc(NCCOP(=O)([O-])[O-])c2)OCCO1 ZINC001168591533 751218857 /nfs/dbraw/zinc/21/88/57/751218857.db2.gz ATINDTLTMDCVAG-UHFFFAOYSA-N -2 0 303.251 1.427 20 0 DDADRL COC(=O)c1cc(NCCOP(=O)([O-])[O-])cc(OC)c1 ZINC001168594809 751257435 /nfs/dbraw/zinc/25/74/35/751257435.db2.gz BJMOLJVBNZTQMP-UHFFFAOYSA-N -2 0 305.223 1.003 20 0 DDADRL O=C(c1ccc2[n-]c(=S)oc2c1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001175553157 777838775 /nfs/dbraw/zinc/83/87/75/777838775.db2.gz UADWEHNMHMIECH-QMMMGPOBSA-N -2 0 316.346 1.259 20 0 DDADRL Nc1cc(OCC2CC2)nn1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236987 778087879 /nfs/dbraw/zinc/08/78/79/778087879.db2.gz DJZMVKUGWYDFLS-UHFFFAOYSA-N -2 0 317.301 1.640 20 0 DDADRL Cc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)n2ncnc2n1 ZINC001176237638 778088379 /nfs/dbraw/zinc/08/83/79/778088379.db2.gz YPFRJYZBAYPXGT-UHFFFAOYSA-N -2 0 313.273 1.573 20 0 DDADRL COC(=O)c1cc(Cl)cc(NCCOP(=O)([O-])[O-])n1 ZINC001157787522 864140309 /nfs/dbraw/zinc/14/03/09/864140309.db2.gz LLLLEKFUJXNYEG-UHFFFAOYSA-N -2 0 310.630 1.043 20 0 DDADRL Nc1cncc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c1 ZINC001213627507 876000123 /nfs/dbraw/zinc/00/01/23/876000123.db2.gz JAZHMDUHTSTMAA-UHFFFAOYSA-N -2 0 321.358 1.482 20 0 DDADRL O=C([O-])C[C@@H](C(=O)Oc1cccc2c1CCCC2)[C@H](O)C(=O)[O-] ZINC001227687278 883131227 /nfs/dbraw/zinc/13/12/27/883131227.db2.gz CQAINIQMHBFZMV-RISCZKNCSA-N -2 0 322.313 1.007 20 0 DDADRL CC(C)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001228100679 883334659 /nfs/dbraw/zinc/33/46/59/883334659.db2.gz RBQOSQVUXOVHID-AAEUAGOBSA-N -2 0 310.302 1.252 20 0 DDADRL CCn1cnc2c1ncnc2-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242161251 891356556 /nfs/dbraw/zinc/35/65/56/891356556.db2.gz VYBGWAGVPWPAPO-UHFFFAOYSA-N -2 0 312.285 1.910 20 0 DDADRL COc1ccc(C(N)=O)c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242162996 891357046 /nfs/dbraw/zinc/35/70/46/891357046.db2.gz OGANQXMMRQUQAH-UHFFFAOYSA-N -2 0 315.281 1.858 20 0 DDADRL CC(=O)c1ccncc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184255 899076669 /nfs/dbraw/zinc/07/66/69/899076669.db2.gz XGXRXJOEQLWMOX-UHFFFAOYSA-N -2 0 320.326 1.783 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnnc(Cl)c2)cc1 ZINC001260221553 899095615 /nfs/dbraw/zinc/09/56/15/899095615.db2.gz WUQPAJPZRWJYAB-UHFFFAOYSA-N -2 0 313.722 1.629 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cn3ccccc3n2)cc1 ZINC001260222051 899096239 /nfs/dbraw/zinc/09/62/39/899096239.db2.gz JAEWSVQLSDJYKQ-UHFFFAOYSA-N -2 0 317.326 1.833 20 0 DDADRL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n1 ZINC001260392896 899134147 /nfs/dbraw/zinc/13/41/47/899134147.db2.gz UMPGQXMIVMVUQX-UHFFFAOYSA-N -2 0 324.314 1.300 20 0 DDADRL COc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cn1 ZINC000384135544 900757233 /nfs/dbraw/zinc/75/72/33/900757233.db2.gz BUZXIWHVRPJCBM-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000346401650 283087393 /nfs/dbraw/zinc/08/73/93/283087393.db2.gz CIQMJQIXTURGIF-UHFFFAOYSA-N -2 0 310.331 1.538 20 0 DDADRL O=C([O-])CSCC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000596003059 356743412 /nfs/dbraw/zinc/74/34/12/356743412.db2.gz ONQSEQAVIINOJG-ZDUSSCGKSA-N -2 0 309.343 1.015 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000350742701 284253137 /nfs/dbraw/zinc/25/31/37/284253137.db2.gz YSMHKNYDGKYZKX-SECBINFHSA-N -2 0 323.374 1.782 20 0 DDADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(N)=O)c1 ZINC000336852441 249257507 /nfs/dbraw/zinc/25/75/07/249257507.db2.gz QRLAOVVOKRMKPQ-UHFFFAOYSA-N -2 0 324.314 1.186 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)c1 ZINC000285007444 218253536 /nfs/dbraw/zinc/25/35/36/218253536.db2.gz HKWPWWGHJBELFB-UHFFFAOYSA-N -2 0 321.358 1.718 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cn1 ZINC000360501364 299678964 /nfs/dbraw/zinc/67/89/64/299678964.db2.gz SUIBFONVMADSHF-UHFFFAOYSA-N -2 0 324.314 1.295 20 0 DDADRL CS[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000235153438 407718175 /nfs/dbraw/zinc/71/81/75/407718175.db2.gz OMILQKOTTJCJCY-BDAKNGLRSA-N -2 0 319.404 1.930 20 0 DDADRL Cn1ncc(Cl)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000227864113 163338621 /nfs/dbraw/zinc/33/86/21/163338621.db2.gz GUEOMRWCIMKERH-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL CCC[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1nnn[n-]1 ZINC000277863555 409025806 /nfs/dbraw/zinc/02/58/06/409025806.db2.gz BDGOKGGYEDYYLR-SECBINFHSA-N -2 0 313.720 1.969 20 0 DDADRL CCc1ccc([N-]S(=O)(=O)c2cn(CC)cn2)c(C(=O)[O-])c1 ZINC000319134565 164034876 /nfs/dbraw/zinc/03/48/76/164034876.db2.gz WSBMEVIZMSMPGF-UHFFFAOYSA-N -2 0 323.374 1.964 20 0 DDADRL Cc1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cn1 ZINC000357379469 410004158 /nfs/dbraw/zinc/00/41/58/410004158.db2.gz ISNIJTVROLEGEP-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL Cn1nccc1S(=O)(=O)[N-]c1ccc(CCCC(=O)[O-])cc1 ZINC000340181608 410732980 /nfs/dbraw/zinc/73/29/80/410732980.db2.gz RJGXZANJWKSNRW-UHFFFAOYSA-N -2 0 323.374 1.628 20 0 DDADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)cc1 ZINC000367915326 418655975 /nfs/dbraw/zinc/65/59/75/418655975.db2.gz DDNJTNGEYIMIIO-UHFFFAOYSA-N -2 0 321.358 1.718 20 0 DDADRL O=C(Nc1n[nH]c(-c2ccccn2)n1)C(=O)c1ccc(O)cc1 ZINC000438764855 420464001 /nfs/dbraw/zinc/46/40/01/420464001.db2.gz GQOIZRWQCJZZJO-UHFFFAOYSA-N -2 0 309.285 1.394 20 0 DDADRL CC(C)C[C@H](CNC(=O)NCC1(C(=O)[O-])CCC1)CC(=O)[O-] ZINC000659415461 423821313 /nfs/dbraw/zinc/82/13/13/423821313.db2.gz LJXMHGHLUOECSZ-NSHDSACASA-N -2 0 314.382 1.678 20 0 DDADRL CC[C@H](NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C(=O)[O-] ZINC000647257032 423918589 /nfs/dbraw/zinc/91/85/89/423918589.db2.gz OKGSGKFZRJJTIS-JTQLQIEISA-N -2 0 321.308 1.618 20 0 DDADRL O=C([O-])C1(CN=c2nc(-c3ccccc3)o[n-]2)CCOCC1 ZINC000647458020 424046648 /nfs/dbraw/zinc/04/66/48/424046648.db2.gz NIRADYSXRIANGS-UHFFFAOYSA-N -2 0 303.318 1.452 20 0 DDADRL CC(C)(C)CN(CC(=O)[O-])C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000659781798 424251035 /nfs/dbraw/zinc/25/10/35/424251035.db2.gz LFVHSQIGKMIIBG-UHFFFAOYSA-N -2 0 323.345 1.723 20 0 DDADRL O=C([O-])CCCCC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000655547363 424558155 /nfs/dbraw/zinc/55/81/55/424558155.db2.gz MKBZHGTWGMPYOL-KGLIPLIRSA-N -2 0 319.357 1.958 20 0 DDADRL Cc1cc(CS(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)on1 ZINC000548521946 307774693 /nfs/dbraw/zinc/77/46/93/307774693.db2.gz UOCTUCWDRUQQHW-UHFFFAOYSA-N -2 0 314.294 1.762 20 0 DDADRL CC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000572856173 308225864 /nfs/dbraw/zinc/22/58/64/308225864.db2.gz ARHDEBRMHBSCNT-SSDOTTSWSA-N -2 0 313.709 1.760 20 0 DDADRL O=C([O-])C[C@H](CNS(=O)(=O)c1cccs1)C(F)(F)F ZINC000577209594 308371027 /nfs/dbraw/zinc/37/10/27/308371027.db2.gz MOWMRHLHOQLPFR-ZCFIWIBFSA-N -2 0 317.310 1.680 20 0 DDADRL C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655900410 483992527 /nfs/dbraw/zinc/99/25/27/483992527.db2.gz SLGGJCOJFLVWFB-ZRUFSTJUSA-N -2 0 312.366 1.238 20 0 DDADRL O=C([O-])Cn1cc(NC(=O)C2(C(=O)[O-])CCCCCC2)cn1 ZINC000663057071 484633225 /nfs/dbraw/zinc/63/32/25/484633225.db2.gz FGDYYWHNWFXWQZ-UHFFFAOYSA-N -2 0 309.322 1.331 20 0 DDADRL C[C@H](NC(=O)[C@H](C(=O)[O-])C(C)(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000663121191 484685247 /nfs/dbraw/zinc/68/52/47/484685247.db2.gz GYYQQPFAHGHSQI-UKKRHICBSA-N -2 0 313.394 1.985 20 0 DDADRL CC(C)N(CC(=O)[O-])C(=O)CSc1n[n-]c(=S)s1 ZINC000820004076 598072801 /nfs/dbraw/zinc/07/28/01/598072801.db2.gz DGUTXJDRXAFHFJ-UHFFFAOYSA-N -2 0 307.422 1.241 20 0 DDADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2)c1 ZINC000821549532 598148493 /nfs/dbraw/zinc/14/84/93/598148493.db2.gz KXDRRRYILORAPE-UHFFFAOYSA-N -2 0 319.338 1.645 20 0 DDADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)n1 ZINC000739919735 599739262 /nfs/dbraw/zinc/73/92/62/599739262.db2.gz IVMPZOOQOUFUOA-VQHVLOKHSA-N -2 0 307.331 1.380 20 0 DDADRL CCc1c([O-])nc(SCC(=O)[O-])n(-c2ccccc2C)c1=O ZINC000737250641 599838095 /nfs/dbraw/zinc/83/80/95/599838095.db2.gz KBPPDDDMRCOBSD-UHFFFAOYSA-N -2 0 320.370 1.986 20 0 DDADRL O=C([O-])[C@H]1CCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC000739594398 600101997 /nfs/dbraw/zinc/10/19/97/600101997.db2.gz OJSAAHZZZIOGKF-ZETCQYMHSA-N -2 0 314.135 1.701 20 0 DDADRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000736196104 600228881 /nfs/dbraw/zinc/22/88/81/600228881.db2.gz ICXAISGCGDGPCA-UHFFFAOYSA-N -2 0 323.330 1.420 20 0 DDADRL CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736905494 600459501 /nfs/dbraw/zinc/45/95/01/600459501.db2.gz SSFBLTTXEAITLW-LBPRGKRZSA-N -2 0 319.423 1.904 20 0 DDADRL O=C([O-])CSCCNC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000833262955 600707393 /nfs/dbraw/zinc/70/73/93/600707393.db2.gz XWBDCIWKXLBKTN-UHFFFAOYSA-N -2 0 321.358 1.126 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(F)c2C)c1C(=O)[O-] ZINC000832992140 600818465 /nfs/dbraw/zinc/81/84/65/600818465.db2.gz YZKSTCJRVMEJDO-UHFFFAOYSA-N -2 0 313.310 1.665 20 0 DDADRL O=C([O-])[C@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)CCO1 ZINC000769525025 600929167 /nfs/dbraw/zinc/92/91/67/600929167.db2.gz HTTLTDQINODYHI-SNVBAGLBSA-N -2 0 308.315 1.042 20 0 DDADRL Cc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])o1 ZINC000832924621 600947117 /nfs/dbraw/zinc/94/71/17/600947117.db2.gz SEBDOJGCKSMSHW-SECBINFHSA-N -2 0 303.336 1.002 20 0 DDADRL CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c1 ZINC000316096170 600981818 /nfs/dbraw/zinc/98/18/18/600981818.db2.gz BANSNIIUYCGAKD-UHFFFAOYSA-N -2 0 320.326 1.783 20 0 DDADRL Cc1nnc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])s1 ZINC000833022183 601502833 /nfs/dbraw/zinc/50/28/33/601502833.db2.gz XOOLYTNHRJAYKM-UHFFFAOYSA-N -2 0 317.323 1.485 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnoc2)cc(F)c1F ZINC000751145967 601839497 /nfs/dbraw/zinc/83/94/97/601839497.db2.gz OCKIEYGLSBJCIB-UHFFFAOYSA-N -2 0 304.230 1.452 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n[nH]c1C1CC1 ZINC000832853690 602104007 /nfs/dbraw/zinc/10/40/07/602104007.db2.gz TWNLZZLXUOUWNS-UHFFFAOYSA-N -2 0 324.362 1.433 20 0 DDADRL Cc1noc(C)c1S(=O)(=O)[N-]c1csnc1C(=O)[O-] ZINC000833023355 602155618 /nfs/dbraw/zinc/15/56/18/602155618.db2.gz ZFDDPSSGPWUVNC-UHFFFAOYSA-N -2 0 303.321 1.247 20 0 DDADRL C[C@@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1 ZINC000825449759 603400398 /nfs/dbraw/zinc/40/03/98/603400398.db2.gz YLEKIMUZBJHUCQ-MRVPVSSYSA-N -2 0 310.335 1.539 20 0 DDADRL O=C([O-])N1CC[C@@H](NC(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000831600368 603781374 /nfs/dbraw/zinc/78/13/74/603781374.db2.gz ZPJOCQPJNAFEFO-MRVPVSSYSA-N -2 0 307.331 1.599 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)C(C)(C)CNC(=O)[O-] ZINC000826729438 603788042 /nfs/dbraw/zinc/78/80/42/603788042.db2.gz SEOOKGKQLXKWPP-SECBINFHSA-N -2 0 308.400 1.162 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)C2CCCCC2)C1 ZINC000832281087 604246190 /nfs/dbraw/zinc/24/61/90/604246190.db2.gz XRQGTTJCGIWXEA-VHSXEESVSA-N -2 0 318.395 1.201 20 0 DDADRL O=C([O-])NC1(CC(=O)[N-]S(=O)(=O)c2ccccc2)CCC1 ZINC000832211183 604250849 /nfs/dbraw/zinc/25/08/49/604250849.db2.gz RAAZCLFBIJBAQF-UHFFFAOYSA-N -2 0 312.347 1.072 20 0 DDADRL O=C([O-])C[C@@H]1CCCN1C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000833211296 604668260 /nfs/dbraw/zinc/66/82/60/604668260.db2.gz BOHZPBHZCMONOI-NSHDSACASA-N -2 0 317.301 1.109 20 0 DDADRL CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)n[nH]1 ZINC000833491176 604700449 /nfs/dbraw/zinc/70/04/49/604700449.db2.gz JUJHKUJJERJOHQ-UHFFFAOYSA-N -2 0 324.362 1.502 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000833255394 604766283 /nfs/dbraw/zinc/76/62/83/604766283.db2.gz FRVWUQHFYNRRAH-CHWSQXEVSA-N -2 0 319.313 1.756 20 0 DDADRL O=C([O-])N1CCO[C@H](C(=O)Nc2cccc(Cl)c2[O-])C1 ZINC000831786126 605305663 /nfs/dbraw/zinc/30/56/63/605305663.db2.gz XCDSKPKSGYNPEK-VIFPVBQESA-N -2 0 300.698 1.363 20 0 DDADRL C[C@@H](CC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)NC(=O)[O-] ZINC000833798648 605308474 /nfs/dbraw/zinc/30/84/74/605308474.db2.gz FUJUHMNNKQRDTH-UWVGGRQHSA-N -2 0 300.355 1.382 20 0 DDADRL C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000833829793 606029830 /nfs/dbraw/zinc/02/98/30/606029830.db2.gz KXCKLFNYPBFQDE-WDMOLILDSA-N -2 0 300.355 1.777 20 0 DDADRL O=C([O-])N[C@H]1CC[C@@H](C(=O)NCCc2ccc(C(=O)[O-])cc2)C1 ZINC000834168796 606031488 /nfs/dbraw/zinc/03/14/88/606031488.db2.gz ICUFLYUJTJDOBX-OLZOCXBDSA-N -2 0 320.345 1.480 20 0 DDADRL O=C([O-])N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000834150081 606033717 /nfs/dbraw/zinc/03/37/17/606033717.db2.gz LADYGJGFOUHNCA-STQMWFEESA-N -2 0 320.345 1.189 20 0 DDADRL O=C([O-])CCN(CC1CC1)C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000834060939 606047818 /nfs/dbraw/zinc/04/78/18/606047818.db2.gz YOEYFIJPRXYADI-UHFFFAOYSA-N -2 0 320.345 1.781 20 0 DDADRL CN(C(=O)CC1(NC(=O)[O-])CCC1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000833868425 606050649 /nfs/dbraw/zinc/05/06/49/606050649.db2.gz AVIWQMDYJIQOFW-CYBMUJFWSA-N -2 0 320.345 1.851 20 0 DDADRL Cc1oc(CN(C)C(=O)CC(C)(C)NC(=O)[O-])cc1C(=O)[O-] ZINC000833936111 606055360 /nfs/dbraw/zinc/05/53/60/606055360.db2.gz VHSGIOQMOYCIPJ-UHFFFAOYSA-N -2 0 312.322 1.681 20 0 DDADRL O=C([O-])COc1cccc(NC(=O)C2CCN(C(=O)[O-])CC2)c1 ZINC000834064514 606056239 /nfs/dbraw/zinc/05/62/39/606056239.db2.gz AMUCOQXRWALLLS-UHFFFAOYSA-N -2 0 322.317 1.479 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000834248821 606062338 /nfs/dbraw/zinc/06/23/38/606062338.db2.gz JKUADNWXNJQWAI-UHFFFAOYSA-N -2 0 318.285 1.675 20 0 DDADRL CCC1CCC(NC(=O)CCCNC(=O)[O-])(C(=O)[O-])CC1 ZINC000833844866 606066349 /nfs/dbraw/zinc/06/63/49/606066349.db2.gz KQKMWFPQKAJZAQ-UHFFFAOYSA-N -2 0 300.355 1.574 20 0 DDADRL O=C(CC1CN(C(=O)[O-])C1)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000833986897 606069259 /nfs/dbraw/zinc/06/92/59/606069259.db2.gz BOYSGHHKDQVOFY-VXGBXAGGSA-N -2 0 312.366 1.526 20 0 DDADRL C[C@H](CC[N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000128884517 696783167 /nfs/dbraw/zinc/78/31/67/696783167.db2.gz OWTHSDBCZURVEG-ZCFIWIBFSA-N -2 0 311.281 1.493 20 0 DDADRL O=C(CSc1n[n-]c(=S)s1)[N-]OC1CCOCC1 ZINC000775241369 697974442 /nfs/dbraw/zinc/97/44/42/697974442.db2.gz PPTRIQRZZXZBMQ-UHFFFAOYSA-N -2 0 307.422 1.146 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)s1 ZINC000863952560 706045036 /nfs/dbraw/zinc/04/50/36/706045036.db2.gz BLROVACJHJJYPK-VIFPVBQESA-N -2 0 305.377 1.218 20 0 DDADRL O=C([O-])CC1(C(=O)[N-]S(=O)(=O)CC2CCCCC2)CCC1 ZINC000863954150 706045580 /nfs/dbraw/zinc/04/55/80/706045580.db2.gz OUQWBBMOGJOEDT-UHFFFAOYSA-N -2 0 317.407 1.658 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)sc1C ZINC000863958079 706046488 /nfs/dbraw/zinc/04/64/88/706046488.db2.gz ZURSCJCRSWBTRI-UHFFFAOYSA-N -2 0 317.388 1.425 20 0 DDADRL CSc1ccc(O)c(C(=O)NCCc2n[n-]c(=S)o2)c1 ZINC000832363260 706897997 /nfs/dbraw/zinc/89/79/97/706897997.db2.gz JJJLYKURKPLYHT-UHFFFAOYSA-N -2 0 311.388 1.758 20 0 DDADRL CC(C)n1cccc1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910183454 709801132 /nfs/dbraw/zinc/80/11/32/709801132.db2.gz BKLGCKUVRDFNIV-PWSUYJOCSA-N -2 0 308.334 1.459 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)C2CCC3(CC3)CC2)C1 ZINC000910185119 709801547 /nfs/dbraw/zinc/80/15/47/709801547.db2.gz ZFLUKCBFPQKFBF-VXGBXAGGSA-N -2 0 309.362 1.733 20 0 DDADRL Cc1cc(F)cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910191248 709804944 /nfs/dbraw/zinc/80/49/44/709804944.db2.gz ZFOJYZWZAUETRZ-BXKDBHETSA-N -2 0 309.293 1.524 20 0 DDADRL O=C([O-])CCC(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC000902822422 710916750 /nfs/dbraw/zinc/91/67/50/710916750.db2.gz WZYHHXATXRTKQW-LLVKDONJSA-N -2 0 305.330 1.922 20 0 DDADRL O=C([O-])c1cn(CC(=O)[N-]O[C@@H]2CCCCO2)c2ccccc12 ZINC000911799623 710999005 /nfs/dbraw/zinc/99/90/05/710999005.db2.gz JKUFFJCPAMVIDZ-OAHLLOKOSA-N -2 0 318.329 1.914 20 0 DDADRL CO[C@H](CS(=O)(=O)[N-]CC(F)(F)C(=O)[O-])c1ccccc1 ZINC000906000400 712216762 /nfs/dbraw/zinc/21/67/62/712216762.db2.gz WQORWVXZOAGKKK-SNVBAGLBSA-N -2 0 323.317 1.013 20 0 DDADRL Nc1cncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1 ZINC001175158495 777694549 /nfs/dbraw/zinc/69/45/49/777694549.db2.gz PAHSXRMQDDMSCS-UHFFFAOYSA-N -2 0 311.294 1.302 20 0 DDADRL COc1ncc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(C)n1 ZINC001176239546 778090073 /nfs/dbraw/zinc/09/00/73/778090073.db2.gz QHEMIXJOINEUQC-UHFFFAOYSA-N -2 0 303.274 1.934 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1c[nH]c2c1cccc2Cl ZINC001154982501 861620483 /nfs/dbraw/zinc/62/04/83/861620483.db2.gz IQSPJZKVSJJHRG-UHFFFAOYSA-N -2 0 318.653 1.660 20 0 DDADRL O=C(Oc1cccc2ccccc21)[C@H](O)COP(=O)([O-])[O-] ZINC001225269812 881753054 /nfs/dbraw/zinc/75/30/54/881753054.db2.gz SPSXLNOIYKPPHT-LLVKDONJSA-N -2 0 312.214 1.215 20 0 DDADRL Cc1cccc(Cl)c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001226388722 882401268 /nfs/dbraw/zinc/40/12/68/882401268.db2.gz NSYGIRRVBOUBQL-MRVPVSSYSA-N -2 0 310.626 1.024 20 0 DDADRL O=C([O-])c1ccccc1-c1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001242879834 891543299 /nfs/dbraw/zinc/54/32/99/891543299.db2.gz JQMJWDNMZZRSAP-UHFFFAOYSA-N -2 0 303.295 1.484 20 0 DDADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(F)cn2)c1C(=O)[O-] ZINC000088248243 185243416 /nfs/dbraw/zinc/24/34/16/185243416.db2.gz OLURKIKXJJLSBZ-UHFFFAOYSA-N -2 0 314.294 1.930 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1 ZINC000092890149 185347888 /nfs/dbraw/zinc/34/78/88/185347888.db2.gz ZCXAEFWYSMCFNI-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL C[C@H]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C[C@H]1C(=O)[O-] ZINC000564925802 304026931 /nfs/dbraw/zinc/02/69/31/304026931.db2.gz UFHGDDFGZRGKBM-VHSXEESVSA-N -2 0 300.355 1.240 20 0 DDADRL O=C([O-])CCNC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263348193 304056118 /nfs/dbraw/zinc/05/61/18/304056118.db2.gz HCTJLWXUGORQKO-LBPRGKRZSA-N -2 0 308.334 1.236 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n(C)n1 ZINC000020007606 182176772 /nfs/dbraw/zinc/17/67/72/182176772.db2.gz RAUYBPIGBQLKRW-UHFFFAOYSA-N -2 0 301.349 1.289 20 0 DDADRL CCCc1nc(=NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)s[n-]1 ZINC000579691464 422815155 /nfs/dbraw/zinc/81/51/55/422815155.db2.gz TVNKDQKVVXTTSX-LKFCYVNXSA-N -2 0 324.406 1.631 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])cn1 ZINC000036981697 406984992 /nfs/dbraw/zinc/98/49/92/406984992.db2.gz HLMSVYVPXPEUHB-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1C(=O)[O-] ZINC000226856774 407624080 /nfs/dbraw/zinc/62/40/80/407624080.db2.gz VVFVQGQBAZPQNN-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL O=C([O-])[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000262293326 407788633 /nfs/dbraw/zinc/78/86/33/407788633.db2.gz LSNVISPAHHKUOP-NSHDSACASA-N -2 0 301.302 1.267 20 0 DDADRL Cc1c(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cnn1C ZINC000314673993 164016235 /nfs/dbraw/zinc/01/62/35/164016235.db2.gz JNVCDBBNMSCRAC-UHFFFAOYSA-N -2 0 309.347 1.156 20 0 DDADRL CC[C@@H](CCNS(=O)(=O)c1sc(C)nc1C)C(=O)[O-] ZINC000296839896 409658007 /nfs/dbraw/zinc/65/80/07/409658007.db2.gz BSUCMRGRTCLEIY-VIFPVBQESA-N -2 0 306.409 1.539 20 0 DDADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000346685388 410084275 /nfs/dbraw/zinc/08/42/75/410084275.db2.gz QFZXKNJSVKVEAU-UHFFFAOYSA-N -2 0 313.360 1.631 20 0 DDADRL Cc1cccc(N=c2[n-]nc(SCc3nnn[n-]3)s2)c1 ZINC000353304605 410912943 /nfs/dbraw/zinc/91/29/43/410912943.db2.gz WFJHFPHYNSKHBW-UHFFFAOYSA-N -2 0 305.392 1.817 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2cnn(C)c2C)sc1C(=O)[O-] ZINC000362429954 418754043 /nfs/dbraw/zinc/75/40/43/418754043.db2.gz KKCHVDRTKYSXGA-UHFFFAOYSA-N -2 0 315.376 1.597 20 0 DDADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cccc(O)c2)c1 ZINC000436705069 420358767 /nfs/dbraw/zinc/35/87/67/420358767.db2.gz MHLDJDWSLWCYEZ-UHFFFAOYSA-N -2 0 323.326 1.905 20 0 DDADRL COCCc1nc(=NC[C@H](C(=O)[O-])c2ccccc2)s[n-]1 ZINC000516869554 421573454 /nfs/dbraw/zinc/57/34/54/421573454.db2.gz KSHQSQBLMOIFNB-NSHDSACASA-N -2 0 307.375 1.429 20 0 DDADRL CCCN(CC(=O)[O-])S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000630442937 422107142 /nfs/dbraw/zinc/10/71/42/422107142.db2.gz WADPTIRTKWIADN-UHFFFAOYSA-N -2 0 307.755 1.531 20 0 DDADRL COCc1nc(=NC[C@@](C)(C(=O)[O-])c2ccccc2)s[n-]1 ZINC000650777079 423255778 /nfs/dbraw/zinc/25/57/78/423255778.db2.gz SLXIFTODVIIDLP-CQSZACIVSA-N -2 0 307.375 1.561 20 0 DDADRL O=C([O-])c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cn1 ZINC000653278811 423416689 /nfs/dbraw/zinc/41/66/89/423416689.db2.gz QMQGZUGYASAUPS-XDTLVQLUSA-N -2 0 318.329 1.638 20 0 DDADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H](C)C(=O)[O-])n1 ZINC000237501191 263578813 /nfs/dbraw/zinc/57/88/13/263578813.db2.gz OQBGDNLPWMJJPV-QMMMGPOBSA-N -2 0 307.281 1.228 20 0 DDADRL COC1(CS(=O)(=O)[N-]c2cc(F)cc(F)c2[O-])CCC1 ZINC000641692961 423872418 /nfs/dbraw/zinc/87/24/18/423872418.db2.gz VRHCFYJTVNEKDW-UHFFFAOYSA-N -2 0 307.318 1.981 20 0 DDADRL Cc1n[n-]c(=NC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000649536722 424009916 /nfs/dbraw/zinc/00/99/16/424009916.db2.gz DHMLZXGFCFQKJW-AWEZNQCLSA-N -2 0 320.374 1.432 20 0 DDADRL CC[C@@H](C(=O)[O-])N(C)c1cc(N(C)[C@@H](CC)C(=O)[O-])ncn1 ZINC000662884441 424797933 /nfs/dbraw/zinc/79/79/33/424797933.db2.gz UHQCEBBRLUCTFQ-UWVGGRQHSA-N -2 0 310.354 1.075 20 0 DDADRL COc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000317502430 271022573 /nfs/dbraw/zinc/02/25/73/271022573.db2.gz ONWDBJLUDHBFMT-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL Cc1ncc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cn1 ZINC000345796702 272337606 /nfs/dbraw/zinc/33/76/06/272337606.db2.gz NVVMJEXYZQYTFN-UHFFFAOYSA-N -2 0 312.289 1.095 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)nn1C ZINC000357143599 298977864 /nfs/dbraw/zinc/97/78/64/298977864.db2.gz FPTPRNHFMDQYHQ-UHFFFAOYSA-N -2 0 309.347 1.156 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2cncnc2)ccc1OCC(=O)[O-] ZINC000362214718 307015304 /nfs/dbraw/zinc/01/53/04/307015304.db2.gz LXMZRFWHPAGNJR-UHFFFAOYSA-N -2 0 323.330 1.049 20 0 DDADRL CCCc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1 ZINC000538741880 307677152 /nfs/dbraw/zinc/67/71/52/307677152.db2.gz RZCUHSJQGPZKOY-UHFFFAOYSA-N -2 0 323.374 1.872 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)cnn1C ZINC000551996401 307814399 /nfs/dbraw/zinc/81/43/99/307814399.db2.gz LOPZQFOSDJFEJD-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL CC(C)[C@H](CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C(=O)[O-] ZINC000656231737 484037076 /nfs/dbraw/zinc/03/70/76/484037076.db2.gz NQMNGKJYAAUWPE-NSHDSACASA-N -2 0 319.317 1.117 20 0 DDADRL Cc1cn(C)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000663264695 484772283 /nfs/dbraw/zinc/77/22/83/484772283.db2.gz HXLLASSEDHZWCT-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1O ZINC000674754999 485718338 /nfs/dbraw/zinc/71/83/38/485718338.db2.gz ORFHKCJZZJQFAW-UHFFFAOYSA-N -2 0 323.326 1.905 20 0 DDADRL O=C([O-])CC[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000776440709 598181766 /nfs/dbraw/zinc/18/17/66/598181766.db2.gz WMKRHXVFYBMYQS-UHFFFAOYSA-N -2 0 319.207 1.135 20 0 DDADRL Cc1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1C ZINC000035651636 600672706 /nfs/dbraw/zinc/67/27/06/600672706.db2.gz NVFIXJRUAHUERJ-UHFFFAOYSA-N -2 0 309.347 1.385 20 0 DDADRL Cc1ccc(F)cc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000035651669 600672994 /nfs/dbraw/zinc/67/29/94/600672994.db2.gz XIOODOZPEXWFMH-UHFFFAOYSA-N -2 0 313.310 1.216 20 0 DDADRL O=C(/C=C/C1CC1)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833092966 600938419 /nfs/dbraw/zinc/93/84/19/600938419.db2.gz QAHBQNPOAQTMPI-ONEGZZNKSA-N -2 0 301.345 1.217 20 0 DDADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C#N)cn1 ZINC000390320173 600980327 /nfs/dbraw/zinc/98/03/27/600980327.db2.gz AHYTZTVLBNCIRU-UHFFFAOYSA-N -2 0 317.326 1.183 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1Cl ZINC000832954496 601192986 /nfs/dbraw/zinc/19/29/86/601192986.db2.gz HTGDMEZFVFKKEO-BDAKNGLRSA-N -2 0 317.750 1.174 20 0 DDADRL Cn1cc(NC(=O)c2n[n-]c3ccccc3c2=O)cc1C(=O)[O-] ZINC000833051277 601313284 /nfs/dbraw/zinc/31/32/84/601313284.db2.gz RDXZOCRPDNONEX-UHFFFAOYSA-N -2 0 312.285 1.624 20 0 DDADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C2CC2)cc1 ZINC000833315271 601364411 /nfs/dbraw/zinc/36/44/11/601364411.db2.gz PZYDQEUFZCFPHR-QWHCGFSZSA-N -2 0 323.370 1.377 20 0 DDADRL CCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)s1 ZINC000232264143 601500475 /nfs/dbraw/zinc/50/04/75/601500475.db2.gz CKCUAKZYJSXEOF-UHFFFAOYSA-N -2 0 319.389 1.661 20 0 DDADRL CC1CC(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000828156551 601546248 /nfs/dbraw/zinc/54/62/48/601546248.db2.gz NHQRQSWIRCIACB-UHFFFAOYSA-N -2 0 311.359 1.377 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cnc1Cl ZINC000230145975 601575654 /nfs/dbraw/zinc/57/56/54/601575654.db2.gz FIWDSDBZJBANAM-UHFFFAOYSA-N -2 0 315.738 1.871 20 0 DDADRL O=C([O-])C[C@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)CCO1 ZINC000833219487 601739422 /nfs/dbraw/zinc/73/94/22/601739422.db2.gz OQXKDIQGURNQNU-VIFPVBQESA-N -2 0 322.342 1.432 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2c(F)cccc2F)cc1C(=O)[O-] ZINC000833051709 601784901 /nfs/dbraw/zinc/78/49/01/601784901.db2.gz WWCOJVYWKZSEML-UHFFFAOYSA-N -2 0 316.285 1.802 20 0 DDADRL Cc1cc(Cl)cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1 ZINC000832885517 602037420 /nfs/dbraw/zinc/03/74/20/602037420.db2.gz BYVROVLYLYQCTH-UHFFFAOYSA-N -2 0 319.766 1.573 20 0 DDADRL O=C(CC1(C(=O)[O-])CCCCC1)NC[C@H]1CCCN1C(=O)[O-] ZINC000740350730 602594067 /nfs/dbraw/zinc/59/40/67/602594067.db2.gz UCCRADRZKHPNAJ-LLVKDONJSA-N -2 0 312.366 1.670 20 0 DDADRL O=C([O-])CC1(CC(=O)NC[C@H]2CCCN2C(=O)[O-])CCCC1 ZINC000740481033 602594099 /nfs/dbraw/zinc/59/40/99/602594099.db2.gz QHEJIPHTXQRGSC-LLVKDONJSA-N -2 0 312.366 1.670 20 0 DDADRL CCCS(=O)(=O)[N-]C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739375552 602928692 /nfs/dbraw/zinc/92/86/92/602928692.db2.gz UYSQDNCGBWSOLZ-UHFFFAOYSA-N -2 0 304.299 1.385 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000826730049 603445373 /nfs/dbraw/zinc/44/53/73/603445373.db2.gz VUDYTPPKXJHBGH-DCAQKATOSA-N -2 0 320.411 1.305 20 0 DDADRL O=C([O-])NC[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)C1CC1 ZINC000832426773 603833109 /nfs/dbraw/zinc/83/31/09/603833109.db2.gz BPPYLFBQHYIBJM-SNVBAGLBSA-N -2 0 321.358 1.893 20 0 DDADRL CCc1ccccc1-n1cc([O-])c(C(=O)NCCNC(=O)[O-])n1 ZINC000827601264 603838980 /nfs/dbraw/zinc/83/89/80/603838980.db2.gz WCDPTJAJRVCFKH-UHFFFAOYSA-N -2 0 318.333 1.138 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)[O-])C(C)C)s1 ZINC000738652652 604374091 /nfs/dbraw/zinc/37/40/91/604374091.db2.gz QLRLYAWRJOLAIU-VIFPVBQESA-N -2 0 320.392 1.154 20 0 DDADRL CCn1nc(C)c(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)c1C ZINC000830441014 604890192 /nfs/dbraw/zinc/89/01/92/604890192.db2.gz PDCAUBLJVMLKRZ-UHFFFAOYSA-N -2 0 324.362 1.414 20 0 DDADRL CC(C)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cn1 ZINC000833494825 605186954 /nfs/dbraw/zinc/18/69/54/605186954.db2.gz ODQKOTYVVBIMJZ-UHFFFAOYSA-N -2 0 313.335 1.631 20 0 DDADRL C[C@@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833608984 605482910 /nfs/dbraw/zinc/48/29/10/605482910.db2.gz PEDZEFWRQNXVKU-HTQZYQBOSA-N -2 0 317.388 1.687 20 0 DDADRL O=C([O-])N1CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000834111385 605984349 /nfs/dbraw/zinc/98/43/49/605984349.db2.gz FXMWXZNEOKKFBH-UHFFFAOYSA-N -2 0 320.280 1.458 20 0 DDADRL O=C([O-])N[C@H](CNC(=O)c1c([O-])cc(F)cc1F)C1CC1 ZINC000834146071 605996351 /nfs/dbraw/zinc/99/63/51/605996351.db2.gz FNAKTLFKUMGERG-SECBINFHSA-N -2 0 300.261 1.446 20 0 DDADRL O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000834282735 606035248 /nfs/dbraw/zinc/03/52/48/606035248.db2.gz DIOUJMMLSNAFNO-CYBMUJFWSA-N -2 0 318.329 1.806 20 0 DDADRL O=C([O-])CCN(CC1CC1)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000834059858 606046789 /nfs/dbraw/zinc/04/67/89/606046789.db2.gz LOZUBQXMFZEVIX-UHFFFAOYSA-N -2 0 310.306 1.374 20 0 DDADRL C[C@@H](C(=O)[O-])N(C)C(=O)C[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000833792017 606050588 /nfs/dbraw/zinc/05/05/88/606050588.db2.gz XVTPICUAMCFYPJ-JQWIXIFHSA-N -2 0 308.334 1.187 20 0 DDADRL O=C([O-])CN(C(=O)C1CCN(C(=O)[O-])CC1)C1CCCCC1 ZINC000834064619 606051257 /nfs/dbraw/zinc/05/12/57/606051257.db2.gz CUXYVHDCRGIJLL-UHFFFAOYSA-N -2 0 312.366 1.622 20 0 DDADRL O=C([O-])CC1(NC(=O)c2ccc(CNC(=O)[O-])o2)CCCCC1 ZINC000834061729 606052590 /nfs/dbraw/zinc/05/25/90/606052590.db2.gz YWEYCZOJTNCTGD-UHFFFAOYSA-N -2 0 324.333 1.955 20 0 DDADRL O=C([O-])Cc1ccccc1NC(=O)CC1(NC(=O)[O-])CCC1 ZINC000834068842 606052661 /nfs/dbraw/zinc/05/26/61/606052661.db2.gz NKXJHVPKWWKOJF-UHFFFAOYSA-N -2 0 306.318 1.833 20 0 DDADRL C[C@@H](C(=O)[O-])[C@@H](NC(=O)CCCNC(=O)[O-])c1ccccc1 ZINC000833790159 606053960 /nfs/dbraw/zinc/05/39/60/606053960.db2.gz NJTABQIVUIGXLJ-ZWNOBZJWSA-N -2 0 308.334 1.612 20 0 DDADRL Cc1oc(CN(C)C(=O)[C@H]2CCCN(C(=O)[O-])C2)cc1C(=O)[O-] ZINC000833935511 606054936 /nfs/dbraw/zinc/05/49/36/606054936.db2.gz QOPZZBRBWJOGHJ-JTQLQIEISA-N -2 0 324.333 1.635 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)[C@@H]2CSCN2C(=O)[O-])c1 ZINC000834282616 606057895 /nfs/dbraw/zinc/05/78/95/606057895.db2.gz CMLKMESJNAZDMU-JTQLQIEISA-N -2 0 310.331 1.054 20 0 DDADRL O=C([O-])c1ccc(NC(=O)C2CCN(C(=O)[O-])CC2)cc1F ZINC000834282910 606065470 /nfs/dbraw/zinc/06/54/70/606065470.db2.gz ICXZVCOVFFODDC-UHFFFAOYSA-N -2 0 310.281 1.852 20 0 DDADRL O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2CCCCN2C(=O)[O-])c1 ZINC000834283917 606067731 /nfs/dbraw/zinc/06/77/31/606067731.db2.gz YQBHZZNONOODFZ-NSHDSACASA-N -2 0 310.281 1.995 20 0 DDADRL Cn1nc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1C(=O)[O-] ZINC000776428428 698106413 /nfs/dbraw/zinc/10/64/13/698106413.db2.gz ZCSGOWMCUKIEIK-UHFFFAOYSA-N -2 0 321.358 1.408 20 0 DDADRL O=C([O-])c1cccc(NC(=O)C(=O)[N-]OCCC(F)(F)F)c1 ZINC000843044739 702807153 /nfs/dbraw/zinc/80/71/53/702807153.db2.gz HGEHJOUSDQXUPG-UHFFFAOYSA-N -2 0 320.223 1.324 20 0 DDADRL CCC(C)(C)[C@@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000843293372 702855395 /nfs/dbraw/zinc/85/53/95/702855395.db2.gz GFGWUPFJEZLDPU-RQJHMYQMSA-N -2 0 305.318 1.746 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000863953031 706045119 /nfs/dbraw/zinc/04/51/19/706045119.db2.gz IRLHCGXVFNLFOH-JTQLQIEISA-N -2 0 319.766 1.502 20 0 DDADRL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)c1 ZINC000863952347 706045146 /nfs/dbraw/zinc/04/51/46/706045146.db2.gz SPCNLOZIOISGIA-UHFFFAOYSA-N -2 0 323.370 1.529 20 0 DDADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1)C1CCCC1 ZINC000863955932 706046188 /nfs/dbraw/zinc/04/61/88/706046188.db2.gz DWBOGFUWSRDOMR-SNVBAGLBSA-N -2 0 317.388 1.444 20 0 DDADRL CCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)cc1 ZINC000863959201 706046621 /nfs/dbraw/zinc/04/66/21/706046621.db2.gz XGMRWJVCTFRLRU-LBPRGKRZSA-N -2 0 311.359 1.165 20 0 DDADRL Cc1ccc(CS(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])c(C)c1 ZINC000863960587 706046901 /nfs/dbraw/zinc/04/69/01/706046901.db2.gz VPHBGNKEZMUMTG-UHFFFAOYSA-N -2 0 313.375 1.360 20 0 DDADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000863964402 706047673 /nfs/dbraw/zinc/04/76/73/706047673.db2.gz UICMSZWTXLDFFR-OUAUKWLOSA-N -2 0 303.380 1.266 20 0 DDADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)s1 ZINC000833311272 707005209 /nfs/dbraw/zinc/00/52/09/707005209.db2.gz HITTVQAVWYRITO-UHFFFAOYSA-N -2 0 317.266 1.068 20 0 DDADRL C[C@@H]1CCN(C(=O)NCc2ccc(O)c(F)c2)[C@@H](C(=O)[O-])C1 ZINC000909050099 712926037 /nfs/dbraw/zinc/92/60/37/712926037.db2.gz WZGCFMKCIXPHLO-BXKDBHETSA-N -2 0 310.325 1.926 20 0 DDADRL C[C@@H](CN(C)C(=O)c1nn(-c2cccc(F)c2)cc1[O-])C(=O)[O-] ZINC000909149832 712947620 /nfs/dbraw/zinc/94/76/20/712947620.db2.gz MFIXPMCPTSTNJR-VIFPVBQESA-N -2 0 321.308 1.510 20 0 DDADRL COC[C@](C)(NC(=O)c1cc(F)c([O-])c(Cl)c1)C(=O)[O-] ZINC000909364440 713000861 /nfs/dbraw/zinc/00/08/61/713000861.db2.gz HJGAZGALDZNXFP-LBPRGKRZSA-N -2 0 305.689 1.404 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CCc2ccccc2)C1 ZINC000910186923 709802561 /nfs/dbraw/zinc/80/25/61/709802561.db2.gz XTUSRQOOESXOTH-CHWSQXEVSA-N -2 0 305.330 1.396 20 0 DDADRL CC1CCC(=CC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])CC1 ZINC000910188973 709804138 /nfs/dbraw/zinc/80/41/38/709804138.db2.gz NXQKHUDLZRFDFL-SKVSWLLESA-N -2 0 309.362 1.899 20 0 DDADRL C[C@H](CC1CCCC1)C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910191125 709805107 /nfs/dbraw/zinc/80/51/07/709805107.db2.gz XUJKUDMSYASCLD-WXHSDQCUSA-N -2 0 311.378 1.979 20 0 DDADRL CCCCSCC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910192427 709805632 /nfs/dbraw/zinc/80/56/32/709805632.db2.gz PXSGKQQONVTNDR-ZJUUUORDSA-N -2 0 303.380 1.296 20 0 DDADRL O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000910588941 710012749 /nfs/dbraw/zinc/01/27/49/710012749.db2.gz ANCJUUXDDXGXTP-ONGXEEELSA-N -2 0 313.737 1.798 20 0 DDADRL C[C@@H]1CN(C(=O)Cc2ccccc2C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000902174872 710648366 /nfs/dbraw/zinc/64/83/66/710648366.db2.gz AJJYUCDJTMOIML-ZYHUDNBSSA-N -2 0 305.330 1.497 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncccc2O)ccc1F ZINC001186143299 744350205 /nfs/dbraw/zinc/35/02/05/744350205.db2.gz MZJLZSZOZWLJLY-UHFFFAOYSA-N -2 0 312.278 1.425 20 0 DDADRL Cc1cc(NC(=O)NCCOP(=O)([O-])[O-])ccc1Cl ZINC001191779366 745608649 /nfs/dbraw/zinc/60/86/49/745608649.db2.gz UWAOQVJGKBZULE-UHFFFAOYSA-N -2 0 308.658 1.879 20 0 DDADRL CC(C)(C)c1ccc(C(=O)N[C@H]2SC(=O)[N-]C2=O)c(O)c1 ZINC001192336461 745757838 /nfs/dbraw/zinc/75/78/38/745757838.db2.gz XCVFUTCETHLWDO-LBPRGKRZSA-N -2 0 308.359 1.729 20 0 DDADRL Cc1cnc(C(=O)NCCCC[P@@](=O)([O-])O)cc1Cl ZINC001197295454 747123839 /nfs/dbraw/zinc/12/38/39/747123839.db2.gz QZGNCUAFZPGLRR-UHFFFAOYSA-N -2 0 306.686 1.731 20 0 DDADRL CCOC(=O)c1cc(Cl)cc(NCCOP(=O)([O-])[O-])n1 ZINC001168587968 751188960 /nfs/dbraw/zinc/18/89/60/751188960.db2.gz WSHHDPMEABCODV-UHFFFAOYSA-N -2 0 324.657 1.433 20 0 DDADRL CSc1nc2ncnc(NCCOP(=O)([O-])[O-])c2s1 ZINC001157791112 766656414 /nfs/dbraw/zinc/65/64/14/766656414.db2.gz IYPYHSSIPZRPDT-UHFFFAOYSA-N -2 0 322.308 1.329 20 0 DDADRL CCN=c1ccc(N)cn1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176239502 778089637 /nfs/dbraw/zinc/08/96/37/778089637.db2.gz ZAXVUXRSARTPAK-UHFFFAOYSA-N -2 0 301.302 1.377 20 0 DDADRL Cc1cc(C(=O)NCCOP(=O)([O-])[O-])c2ccccc2n1 ZINC001150674686 862407618 /nfs/dbraw/zinc/40/76/18/862407618.db2.gz FCDZGDCVZCYXHD-UHFFFAOYSA-N -2 0 310.246 1.382 20 0 DDADRL CCCC[C@H](CC)COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001224708286 881506459 /nfs/dbraw/zinc/50/64/59/881506459.db2.gz ZPBVIKFGYXUHDW-HOSYDEDBSA-N -2 0 304.339 1.282 20 0 DDADRL O=P([O-])([O-])OCCNc1nccc(-c2ccc(F)cc2)n1 ZINC001157786832 864138383 /nfs/dbraw/zinc/13/83/83/864138383.db2.gz BNIVKAHBGVOYKL-UHFFFAOYSA-N -2 0 313.225 1.804 20 0 DDADRL CCc1nc(Cl)nc(Cl)c1NCCOP(=O)([O-])[O-] ZINC001157795175 864149584 /nfs/dbraw/zinc/14/95/84/864149584.db2.gz HCTWSJBYAYMCBH-UHFFFAOYSA-N -2 0 316.081 1.867 20 0 DDADRL Cc1ccc(C)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1C ZINC001225804028 882038497 /nfs/dbraw/zinc/03/84/97/882038497.db2.gz MIVVNMVBJANBOR-ZYHUDNBSSA-N -2 0 310.302 1.054 20 0 DDADRL O=C([O-])c1cc(-c2cccc(S(=O)(=O)[O-])n2)cc(F)c1F ZINC001206005408 871990672 /nfs/dbraw/zinc/99/06/72/871990672.db2.gz NQRFHSCHXHIHMM-UHFFFAOYSA-N -2 0 315.253 1.972 20 0 DDADRL COc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])nc1 ZINC001210176647 875259483 /nfs/dbraw/zinc/25/94/83/875259483.db2.gz YNUUNOPHIBVHTR-UHFFFAOYSA-N -2 0 323.330 1.171 20 0 DDADRL Cc1ccc(C(C)C)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1 ZINC001227944640 883247466 /nfs/dbraw/zinc/24/74/66/883247466.db2.gz CXYBZLCUXKYZEA-LLVKDONJSA-N -2 0 318.262 1.494 20 0 DDADRL CCS(=O)(CC)=NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC001364203856 888139504 /nfs/dbraw/zinc/13/95/04/888139504.db2.gz SRCVTILKOFWMOA-UHFFFAOYSA-N -2 0 324.362 1.392 20 0 DDADRL C[C@@H]1C(=O)Nc2ncnc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c21 ZINC001242159120 891354544 /nfs/dbraw/zinc/35/45/44/891354544.db2.gz HOJSBWMPNFMGIJ-LURJTMIESA-N -2 0 313.269 1.596 20 0 DDADRL Cc1cc(C)c(C(N)=O)c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242159558 891355067 /nfs/dbraw/zinc/35/50/67/891355067.db2.gz MSXJGNMGDGBVMZ-UHFFFAOYSA-N -2 0 314.297 1.861 20 0 DDADRL NS(=O)(=O)c1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242161472 891355407 /nfs/dbraw/zinc/35/54/07/891355407.db2.gz WZEMQVANCMJAME-UHFFFAOYSA-N -2 0 321.310 1.397 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3nccc(=O)n3c2)c1 ZINC001242162496 891356101 /nfs/dbraw/zinc/35/61/01/891356101.db2.gz HJOIFHXADVJOAA-UHFFFAOYSA-N -2 0 310.265 1.758 20 0 DDADRL Cc1c(C(=O)[O-])cccc1-c1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001245298724 892070472 /nfs/dbraw/zinc/07/04/72/892070472.db2.gz GDEZKOAMVWMUGO-UHFFFAOYSA-N -2 0 317.322 1.792 20 0 DDADRL C[C@H](NC(=S)NCCOP(=O)([O-])[O-])c1ccccc1 ZINC001245539472 892167489 /nfs/dbraw/zinc/16/74/89/892167489.db2.gz LCOVFVBIWBOEBE-VIFPVBQESA-N -2 0 304.308 1.321 20 0 DDADRL CC[C@@H](C)C(=O)N[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000055617610 352739658 /nfs/dbraw/zinc/73/96/58/352739658.db2.gz QBROKJDMOLTPSM-MRVPVSSYSA-N -2 0 314.363 1.049 20 0 DDADRL COc1cc(F)cc(-c2noc(=N[C@@H](C(=O)[O-])C(C)C)[n-]2)c1 ZINC000629764888 422804398 /nfs/dbraw/zinc/80/43/98/422804398.db2.gz OEDZCECJUZDBAZ-LLVKDONJSA-N -2 0 309.297 1.827 20 0 DDADRL O=C([O-])c1c(-c2ccc(C(=O)[O-])cc2CO)nc2n1CCCC2 ZINC000568265398 304282264 /nfs/dbraw/zinc/28/22/64/304282264.db2.gz WKUNNWGDJHBHLS-UHFFFAOYSA-N -2 0 316.313 1.775 20 0 DDADRL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000036965498 406985061 /nfs/dbraw/zinc/98/50/61/406985061.db2.gz XURYGRQBKLUIET-XVKPBYJWSA-N -2 0 307.318 1.742 20 0 DDADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000037592385 406991335 /nfs/dbraw/zinc/99/13/35/406991335.db2.gz ALSPQBQIXSQEFG-UHFFFAOYSA-N -2 0 312.303 1.496 20 0 DDADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1)C(=O)[O-] ZINC000184900456 408713473 /nfs/dbraw/zinc/71/34/73/408713473.db2.gz HPFPKMUKARUNJC-LLVKDONJSA-N -2 0 323.374 1.864 20 0 DDADRL O=C([O-])CCC[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000263567463 163986285 /nfs/dbraw/zinc/98/62/85/163986285.db2.gz XNYFJFKISSGLSI-UHFFFAOYSA-N -2 0 315.244 1.386 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cn1 ZINC000360231902 411107810 /nfs/dbraw/zinc/10/78/10/411107810.db2.gz VXEQOACFWLXCNA-UHFFFAOYSA-N -2 0 309.347 1.331 20 0 DDADRL CC(C)(C)CC[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)C(=O)[O-] ZINC000647733616 423020459 /nfs/dbraw/zinc/02/04/59/423020459.db2.gz QWSBMGLVDOMHEN-NSHDSACASA-N -2 0 308.334 1.789 20 0 DDADRL CC[C@@](C)(C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000211124952 287387591 /nfs/dbraw/zinc/38/75/91/287387591.db2.gz MDKXIMPZGYUYFZ-LBPRGKRZSA-N -2 0 307.318 1.744 20 0 DDADRL O=C([O-])CN(CCc1ccccc1)C(=O)c1ccc2n[nH]nc2c1 ZINC000191322987 222101263 /nfs/dbraw/zinc/10/12/63/222101263.db2.gz VTDNANVEOVBLHG-UHFFFAOYSA-N -2 0 324.340 1.727 20 0 DDADRL Cc1cc(C(=O)Nc2ccccc2O)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000436748934 420362516 /nfs/dbraw/zinc/36/25/16/420362516.db2.gz WHDPHZZGOGFJNF-UHFFFAOYSA-N -2 0 312.285 1.702 20 0 DDADRL Cn1[nH]c(=NC(=O)c2c([O-])cccc2F)cc1OC(F)F ZINC000436828689 420372827 /nfs/dbraw/zinc/37/28/27/420372827.db2.gz ZMQYKQNJVJOKCT-UHFFFAOYSA-N -2 0 301.224 1.540 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)[O-] ZINC000560418890 421261088 /nfs/dbraw/zinc/26/10/88/421261088.db2.gz FILHEICDMLRXTC-BQBZGAKWSA-N -2 0 321.317 1.125 20 0 DDADRL CN(Cc1ccccc1)C(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000548594570 421451973 /nfs/dbraw/zinc/45/19/73/421451973.db2.gz ZPCZHCSJUHYJQN-HNNXBMFYSA-N -2 0 308.334 1.394 20 0 DDADRL C[C@H]1CN(C(=O)N=c2[n-]nc(C(F)F)s2)CC[C@@H]1C(=O)[O-] ZINC000630560381 422179864 /nfs/dbraw/zinc/17/98/64/422179864.db2.gz COIGFZQANQANFF-WDSKDSINSA-N -2 0 320.321 1.472 20 0 DDADRL CC(C)[C@@H](CNC(=O)N=c1[n-]nc(C(F)F)s1)C(=O)[O-] ZINC000653536954 423517771 /nfs/dbraw/zinc/51/77/71/423517771.db2.gz NIAVHNPWYMNWPB-RXMQYKEDSA-N -2 0 308.310 1.376 20 0 DDADRL CCCCc1n[n-]c(=NC(=O)NC[C@@H](C(=O)[O-])C(C)C)s1 ZINC000653534569 423516658 /nfs/dbraw/zinc/51/66/58/423516658.db2.gz RMEGAPJESBIUEG-SECBINFHSA-N -2 0 314.411 1.781 20 0 DDADRL CC(C)[C@H](CNC(=O)c1ccc(OCC(=O)[O-])cc1)C(=O)[O-] ZINC000659765625 424236238 /nfs/dbraw/zinc/23/62/38/424236238.db2.gz HLGAERWMLWHYFY-LBPRGKRZSA-N -2 0 309.318 1.237 20 0 DDADRL CC(C)C[C@@H](CNC(=O)NC[C@H](C(=O)[O-])C1CCC1)C(=O)[O-] ZINC000665313916 424780893 /nfs/dbraw/zinc/78/08/93/424780893.db2.gz YDUJNIPFEIRACQ-RYUDHWBXSA-N -2 0 314.382 1.533 20 0 DDADRL CC(C)C[C@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC000424400625 279152965 /nfs/dbraw/zinc/15/29/65/279152965.db2.gz UMJCHOTYARSOCV-MOENNCHZSA-N -2 0 314.382 1.676 20 0 DDADRL CC(=O)c1cccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c1 ZINC000536685506 303368374 /nfs/dbraw/zinc/36/83/74/303368374.db2.gz UJAKDVGXIKYDFI-UHFFFAOYSA-N -2 0 323.330 1.122 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccnn1CC ZINC000547434511 303530653 /nfs/dbraw/zinc/53/06/53/303530653.db2.gz NJHIZHBVPYDIAB-UHFFFAOYSA-N -2 0 323.374 1.964 20 0 DDADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1C ZINC000566694257 308060104 /nfs/dbraw/zinc/06/01/04/308060104.db2.gz XLHITFCPFWXFEB-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CCC(CC)CS(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000571498219 308197088 /nfs/dbraw/zinc/19/70/88/308197088.db2.gz LRDISXSIKBFWMS-SNVBAGLBSA-N -2 0 309.384 1.050 20 0 DDADRL CO[C@H](C)c1nc(=NCCc2nc(C(=O)[O-])cs2)s[n-]1 ZINC000381993540 490778285 /nfs/dbraw/zinc/77/82/85/490778285.db2.gz HESDFZFVOCMKDD-ZCFIWIBFSA-N -2 0 314.392 1.477 20 0 DDADRL O=C([O-])c1ccccc1CCC(=O)NC1(C(=O)[O-])CCCC1 ZINC000821377509 598197831 /nfs/dbraw/zinc/19/78/31/598197831.db2.gz JTHDJFXJAAHVAT-UHFFFAOYSA-N -2 0 305.330 1.831 20 0 DDADRL CCCc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1 ZINC000737049665 599739057 /nfs/dbraw/zinc/73/90/57/599739057.db2.gz AEJSTEFMTYQIRO-UHFFFAOYSA-N -2 0 323.374 1.721 20 0 DDADRL O=C([O-])c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cn1 ZINC000739370090 599841521 /nfs/dbraw/zinc/84/15/21/599841521.db2.gz CYGQRHDLXLNVPR-GFCCVEGCSA-N -2 0 300.270 1.336 20 0 DDADRL O=C([O-])CCCS(=O)(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000739694988 600246200 /nfs/dbraw/zinc/24/62/00/600246200.db2.gz UCOPPLRTVOKWSY-UHFFFAOYSA-N -2 0 305.283 1.130 20 0 DDADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000079701048 600513010 /nfs/dbraw/zinc/51/30/10/600513010.db2.gz RZSRBKYJXCIDLX-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000316254363 600513688 /nfs/dbraw/zinc/51/36/88/600513688.db2.gz RBQFHPKKLZFXDF-UHFFFAOYSA-N -2 0 323.286 1.489 20 0 DDADRL CCc1ocnc1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000737290016 600657829 /nfs/dbraw/zinc/65/78/29/600657829.db2.gz LTXQFYZCFSGVGO-UHFFFAOYSA-N -2 0 324.314 1.054 20 0 DDADRL COCCN(CCC(=O)[O-])C(=O)c1ccc([O-])c(Cl)c1 ZINC000831730050 600765892 /nfs/dbraw/zinc/76/58/92/600765892.db2.gz RBXZOXSEJJGNNC-UHFFFAOYSA-N -2 0 301.726 1.609 20 0 DDADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)/C=C\C2CC2)cc1 ZINC000833093156 600943964 /nfs/dbraw/zinc/94/39/64/600943964.db2.gz TZXZKMMDUOEFEZ-YVMONPNESA-N -2 0 309.343 1.297 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)c[nH]1 ZINC000020373391 600977952 /nfs/dbraw/zinc/97/79/52/600977952.db2.gz KIHAQHDGPKJYEW-UHFFFAOYSA-N -2 0 301.711 1.562 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n(C)n1 ZINC000314422453 601358540 /nfs/dbraw/zinc/35/85/40/601358540.db2.gz XUEMEAYSPWTYJD-YVMONPNESA-N -2 0 321.358 1.627 20 0 DDADRL O=C([O-])C[C@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000833264560 601760480 /nfs/dbraw/zinc/76/04/80/601760480.db2.gz AHKQQAVFBRUDIC-QMMMGPOBSA-N -2 0 310.697 1.110 20 0 DDADRL CCC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000739321431 602669818 /nfs/dbraw/zinc/66/98/18/602669818.db2.gz VLZSPPMQBOCKII-JTQLQIEISA-N -2 0 318.326 1.067 20 0 DDADRL CCC[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)C[C@@H](C)CCC ZINC000739302575 602728460 /nfs/dbraw/zinc/72/84/60/602728460.db2.gz RNMLPAZNDQNTLQ-VHSXEESVSA-N -2 0 308.400 1.305 20 0 DDADRL C[C@@H]1CN(C(=O)[O-])CCN1Cc1c([O-])nnn1-c1ccccc1 ZINC000739156375 602864116 /nfs/dbraw/zinc/86/41/16/602864116.db2.gz QQIKBXYRVBHLFO-LLVKDONJSA-N -2 0 317.349 1.157 20 0 DDADRL CCCS(=O)(=O)[N-]C(=O)C[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000826944823 604417268 /nfs/dbraw/zinc/41/72/68/604417268.db2.gz JXGAXWWFWUINNX-MNOVXSKESA-N -2 0 320.411 1.259 20 0 DDADRL C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000833406454 604880783 /nfs/dbraw/zinc/88/07/83/604880783.db2.gz GTRLESJBGHKJQM-LURJTMIESA-N -2 0 321.738 1.132 20 0 DDADRL O=C([O-])NC[C@H]1CCCCN1C(=O)c1c([O-])cc(F)cc1F ZINC000832521595 604926248 /nfs/dbraw/zinc/92/62/48/604926248.db2.gz OUEMCAPKSLBKBK-SECBINFHSA-N -2 0 314.288 1.933 20 0 DDADRL O=C(CO[C@H]1CCCN(C(=O)[O-])C1)[N-]OCc1ccccc1 ZINC000831517347 605249317 /nfs/dbraw/zinc/24/93/17/605249317.db2.gz QHJRUUDQIWIABJ-ZDUSSCGKSA-N -2 0 308.334 1.393 20 0 DDADRL CC(C)(CC(=O)[O-])NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000833456203 605528978 /nfs/dbraw/zinc/52/89/78/605528978.db2.gz NRCBBDFMYOBKPD-UHFFFAOYSA-N -2 0 321.308 1.700 20 0 DDADRL C[C@H](CCNC(=O)c1cc(F)cc(Cl)c1[O-])NC(=O)[O-] ZINC000824802623 605553267 /nfs/dbraw/zinc/55/32/67/605553267.db2.gz MRLHXUDZAKPJHW-ZCFIWIBFSA-N -2 0 304.705 1.961 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)C2(NC(=O)[O-])CCCC2)cc1 ZINC000834065308 605689742 /nfs/dbraw/zinc/68/97/42/605689742.db2.gz KCQIOKXBJCAREL-UHFFFAOYSA-N -2 0 322.317 1.669 20 0 DDADRL O=C([O-])NC1(C(=O)NCc2ccc(C(=O)[O-])cc2)CCCC1 ZINC000834150349 606028046 /nfs/dbraw/zinc/02/80/46/606028046.db2.gz AILOIZSXSPBXEW-UHFFFAOYSA-N -2 0 306.318 1.581 20 0 DDADRL O=C([O-])[C@H]1CC12CCN(C(=O)[C@@H]1CCCN(C(=O)[O-])C1)CC2 ZINC000834057232 606033784 /nfs/dbraw/zinc/03/37/84/606033784.db2.gz BRSLWGUJNYBSHG-GHMZBOCLSA-N -2 0 310.350 1.090 20 0 DDADRL O=C([O-])CN(C(=O)[C@@H]1CCCN(C(=O)[O-])C1)C1CCCCC1 ZINC000834060996 606051196 /nfs/dbraw/zinc/05/11/96/606051196.db2.gz ZXMLXYGXVYZZAT-LLVKDONJSA-N -2 0 312.366 1.622 20 0 DDADRL O=C([O-])CN(C(=O)C[C@H]1CCCN1C(=O)[O-])C1CCCCC1 ZINC000834064629 606051349 /nfs/dbraw/zinc/05/13/49/606051349.db2.gz CZVVAOKXVXCBLH-GFCCVEGCSA-N -2 0 312.366 1.765 20 0 DDADRL O=C([O-])[C@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)c1ccccc1F ZINC000834015230 606068399 /nfs/dbraw/zinc/06/83/99/606068399.db2.gz PABNSFXXBRNZHM-LDYMZIIASA-N -2 0 310.281 1.068 20 0 DDADRL O=C([O-])C1(CNC(=O)c2cc(O)ccc2Cl)CCOCC1 ZINC000236421876 697795253 /nfs/dbraw/zinc/79/52/53/697795253.db2.gz UEEWIVGLQDZZAF-UHFFFAOYSA-N -2 0 313.737 1.657 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)C1(c2ccccc2)CC1 ZINC000739695828 699777631 /nfs/dbraw/zinc/77/76/31/699777631.db2.gz QPMSRXCKKBBNQP-UHFFFAOYSA-N -2 0 311.359 1.029 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)nn1C ZINC000817353526 702348505 /nfs/dbraw/zinc/34/85/05/702348505.db2.gz AWJMVEBWNIZUMA-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL COc1ccc([C@H](CCC(=O)[O-])NS(=O)(=O)C(F)F)cc1 ZINC000817419451 702376140 /nfs/dbraw/zinc/37/61/40/702376140.db2.gz AVMSBGYYXUMRFP-JTQLQIEISA-N -2 0 323.317 1.743 20 0 DDADRL O=C([O-])CCc1cccc(NC(=O)C(=O)[N-]OC2CCCC2)c1 ZINC000817878735 702507398 /nfs/dbraw/zinc/50/73/98/702507398.db2.gz HNVUHZPHZHKUQP-UHFFFAOYSA-N -2 0 320.345 1.633 20 0 DDADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1Cl)C1CC1 ZINC000863952832 706045018 /nfs/dbraw/zinc/04/50/18/706045018.db2.gz FGCYJFOSCRHBOJ-SNVBAGLBSA-N -2 0 317.750 1.256 20 0 DDADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000863953247 706045112 /nfs/dbraw/zinc/04/51/12/706045112.db2.gz QKOXBFNVRRGKOW-CDNLZTBQSA-N -2 0 323.370 1.604 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])CC2(C)C)c(C)o1 ZINC000863957764 706046679 /nfs/dbraw/zinc/04/66/79/706046679.db2.gz HLHUFYCAPLPDHL-ZDUSSCGKSA-N -2 0 315.347 1.202 20 0 DDADRL CCc1ccccc1S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CC1 ZINC000863960209 706047112 /nfs/dbraw/zinc/04/71/12/706047112.db2.gz KWOLCHUXDDUCBI-GFCCVEGCSA-N -2 0 311.359 1.165 20 0 DDADRL CC(C)Cn1[n-]c(CC(=O)[N-]Oc2ccccc2F)cc1=O ZINC000828984576 706268635 /nfs/dbraw/zinc/26/86/35/706268635.db2.gz DGRKCPPWCABHBL-UHFFFAOYSA-N -2 0 307.325 1.624 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2ncc(C)o2)cc1C(=O)[O-] ZINC000832468345 706920920 /nfs/dbraw/zinc/92/09/20/706920920.db2.gz AIORYFJDORPMRK-UHFFFAOYSA-N -2 0 312.303 1.491 20 0 DDADRL Cc1ccsc1CCNS(=O)(=O)c1occc1C(=O)[O-] ZINC000871994006 707273246 /nfs/dbraw/zinc/27/32/46/707273246.db2.gz REKHCPIGFRUONX-UHFFFAOYSA-N -2 0 315.372 1.869 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1(C(=O)[O-])CCCC1 ZINC000836717064 707507096 /nfs/dbraw/zinc/50/70/96/707507096.db2.gz RIXXBIGVKRJETQ-QMMMGPOBSA-N -2 0 324.299 1.203 20 0 DDADRL O=C([O-])C[C@@]1(C(=O)[O-])CCN(C(=O)N2CCc3ccccc32)C1 ZINC000899923327 709238596 /nfs/dbraw/zinc/23/85/96/709238596.db2.gz IDKGVVHGHSUPPQ-INIZCTEOSA-N -2 0 318.329 1.421 20 0 DDADRL O=C([O-])C[C@@H]1COCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000909618203 709542452 /nfs/dbraw/zinc/54/24/52/709542452.db2.gz YFJYXSRVTNEAOK-MRVPVSSYSA-N -2 0 317.700 1.500 20 0 DDADRL C[C@H]1C[C@H](C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])C[C@@H](C)C1 ZINC000910183538 709800954 /nfs/dbraw/zinc/80/09/54/709800954.db2.gz MHAXUJNWMDUYGS-OFTGVCEQSA-N -2 0 311.378 1.835 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000910183854 709801139 /nfs/dbraw/zinc/80/11/39/709801139.db2.gz ODKQXUZUFLOKNZ-SJHCENCUSA-N -2 0 307.346 1.365 20 0 DDADRL C[C@@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000910183058 709801200 /nfs/dbraw/zinc/80/12/00/709801200.db2.gz KQRDGWZTSDWYEW-KGYLQXTDSA-N -2 0 305.330 1.567 20 0 DDADRL CC[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccccc1 ZINC000910186424 709802508 /nfs/dbraw/zinc/80/25/08/709802508.db2.gz QTWKQMWMXZOXLX-IHRRRGAJSA-N -2 0 319.357 1.957 20 0 DDADRL CCc1ccsc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910189228 709804039 /nfs/dbraw/zinc/80/40/39/709804039.db2.gz REFYPLHHUIHXHY-VHSXEESVSA-N -2 0 311.359 1.701 20 0 DDADRL Cc1cccc(CC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910189786 709804413 /nfs/dbraw/zinc/80/44/13/709804413.db2.gz TXBLLVMXDTVAKJ-CHWSQXEVSA-N -2 0 305.330 1.314 20 0 DDADRL Cc1ccc(C)c(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910191293 709805236 /nfs/dbraw/zinc/80/52/36/709805236.db2.gz ZVJBPTYOYMHKQG-GXTWGEPZSA-N -2 0 319.357 1.622 20 0 DDADRL C[C@@H]1CCN(C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)C[C@@H]1C(=O)[O-] ZINC000901700292 710124133 /nfs/dbraw/zinc/12/41/33/710124133.db2.gz PSVAZUJEKACSKN-ZJUUUORDSA-N -2 0 311.378 1.693 20 0 DDADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)c1sccc1Cl ZINC000905999953 712216384 /nfs/dbraw/zinc/21/63/84/712216384.db2.gz PWIOOPOEYJYIGE-UHFFFAOYSA-N -2 0 305.711 1.400 20 0 DDADRL Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CC(=O)[O-])cc1C(=O)[O-] ZINC000917729639 713511384 /nfs/dbraw/zinc/51/13/84/713511384.db2.gz LAWKIJXZJSKCNU-VIFPVBQESA-N -2 0 315.347 1.143 20 0 DDADRL Cc1cc(C)c(S(=O)(=O)N[C@H](C)CC(=O)[O-])cc1C(=O)[O-] ZINC000917729638 713511409 /nfs/dbraw/zinc/51/14/09/713511409.db2.gz LAWKIJXZJSKCNU-SECBINFHSA-N -2 0 315.347 1.143 20 0 DDADRL CCOC(=O)c1sc(S(=O)(=O)[N-][C@H]2[CH]CC=C2)nc1C ZINC001184988063 744139449 /nfs/dbraw/zinc/13/94/49/744139449.db2.gz PTXZHIWJSHEGNO-SECBINFHSA-N -2 0 315.396 1.439 20 0 DDADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1C[C@@H]2C[C@H]1C[C@H]2F ZINC001189877132 745012773 /nfs/dbraw/zinc/01/27/73/745012773.db2.gz GTWCOWCCHCIGFC-ATZCPNFKSA-N -2 0 315.237 1.731 20 0 DDADRL CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ncc([O-])cc1Cl ZINC001193030410 745964994 /nfs/dbraw/zinc/96/49/94/745964994.db2.gz XEHLOEZKGSHZGX-UHFFFAOYSA-N -2 0 322.770 1.524 20 0 DDADRL Cn1ccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195185135 746540540 /nfs/dbraw/zinc/54/05/40/746540540.db2.gz JDABXOOFWUTBQW-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccc2nccn21 ZINC001198730178 747582761 /nfs/dbraw/zinc/58/27/61/747582761.db2.gz HSHGDFHUKGSKET-UHFFFAOYSA-N -2 0 317.326 1.833 20 0 DDADRL Cc1noc(-c2ccc(NCCOP(=O)([O-])[O-])cc2)c1N ZINC001168592535 751227816 /nfs/dbraw/zinc/22/78/16/751227816.db2.gz UPWLJAJQTIZMBV-UHFFFAOYSA-N -2 0 313.250 1.753 20 0 DDADRL CCOC(=O)c1ccc(OC)c(NCCOP(=O)([O-])[O-])c1 ZINC001168595330 751264050 /nfs/dbraw/zinc/26/40/50/751264050.db2.gz JEBXZEMMQXEHIW-UHFFFAOYSA-N -2 0 319.250 1.393 20 0 DDADRL O=C([O-])c1cncc(Nc2nc[n-]c(=O)c2Br)c1 ZINC001175840116 777922421 /nfs/dbraw/zinc/92/24/21/777922421.db2.gz HMQPKHYOWMNOPC-UHFFFAOYSA-N -2 0 311.095 1.782 20 0 DDADRL Cc1ccc2ncc([O-])c(C(=O)N=c3ncnc4[nH][nH]cc3-4)c2c1 ZINC001154528538 861177839 /nfs/dbraw/zinc/17/78/39/861177839.db2.gz YCKLJAYVXYWGBB-UHFFFAOYSA-N -2 0 320.312 1.541 20 0 DDADRL CC(C)(C)c1nc2[nH]ccc2c(NCCOP(=O)([O-])[O-])n1 ZINC001157791765 864146055 /nfs/dbraw/zinc/14/60/55/864146055.db2.gz UAYSXHJWQFUYRT-UHFFFAOYSA-N -2 0 314.282 1.777 20 0 DDADRL O=C([O-])C[C@H](C(=O)Oc1cccc2ccccc21)[C@H](O)C(=O)[O-] ZINC001225269541 881754245 /nfs/dbraw/zinc/75/42/45/881754245.db2.gz RNWOACGWAKWRHJ-FZMZJTMJSA-N -2 0 318.281 1.282 20 0 DDADRL Cc1c(Cl)cccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225923345 882112827 /nfs/dbraw/zinc/11/28/27/882112827.db2.gz WYJQODSIQPINOB-RDDDGLTNSA-N -2 0 316.693 1.090 20 0 DDADRL CC1(C)CC(=O)CC[C@@H]1Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21 ZINC001226888671 882703828 /nfs/dbraw/zinc/70/38/28/882703828.db2.gz UAXYJXXJVAKKQU-ZETCQYMHSA-N -2 0 320.305 1.063 20 0 DDADRL CC[C@H](C)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001227331502 882972774 /nfs/dbraw/zinc/97/27/74/882972774.db2.gz ZPNSPWFXFSKWHV-DUFXMDAXSA-N -2 0 324.329 1.642 20 0 DDADRL Nc1[nH]c(=S)[nH]c(=O)c1Nc1cc(CC(=O)[O-])ccc1F ZINC001216679007 877015494 /nfs/dbraw/zinc/01/54/94/877015494.db2.gz HMFWVQNUTJBDPS-UHFFFAOYSA-N -2 0 310.310 1.563 20 0 DDADRL CC(C)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001228100681 883334983 /nfs/dbraw/zinc/33/49/83/883334983.db2.gz RBQOSQVUXOVHID-WCQYABFASA-N -2 0 310.302 1.252 20 0 DDADRL Cc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc1C(C)C ZINC001228200308 883387171 /nfs/dbraw/zinc/38/71/71/883387171.db2.gz FNVGDUJBQLKZLY-JSGCOSHPSA-N -2 0 324.329 1.560 20 0 DDADRL NC(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1F ZINC001242162005 891356819 /nfs/dbraw/zinc/35/68/19/891356819.db2.gz AMFLPKZNUQHZAC-UHFFFAOYSA-N -2 0 303.245 1.988 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cn(CCF)cn2)c1 ZINC001260184446 899078667 /nfs/dbraw/zinc/07/86/67/899078667.db2.gz LRXPQCPEYGGRES-UHFFFAOYSA-N -2 0 313.310 1.352 20 0 DDADRL Cc1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)nc1C ZINC001260221457 899096402 /nfs/dbraw/zinc/09/64/02/899096402.db2.gz HDRNSVHJHUPFKB-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL Cc1cnc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c(C)n1 ZINC001260392947 899134044 /nfs/dbraw/zinc/13/40/44/899134044.db2.gz VVWSRKGTCZAAHO-UHFFFAOYSA-N -2 0 323.330 1.298 20 0 DDADRL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000287499231 282347249 /nfs/dbraw/zinc/34/72/49/282347249.db2.gz LGYZYHQBBPQVOS-SNVBAGLBSA-N -2 0 323.292 1.636 20 0 DDADRL O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000092181982 193171584 /nfs/dbraw/zinc/17/15/84/193171584.db2.gz LINBNEGENOJMON-XPUUQOCRSA-N -2 0 321.276 1.412 20 0 DDADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1 ZINC000044260515 183402047 /nfs/dbraw/zinc/40/20/47/183402047.db2.gz RGSXKYQQNKAXPN-UHFFFAOYSA-N -2 0 310.306 1.649 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000048807584 407108332 /nfs/dbraw/zinc/10/83/32/407108332.db2.gz COJZYUNRRIFNNF-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnoc2)cc1Cl ZINC000231657714 407698567 /nfs/dbraw/zinc/69/85/67/407698567.db2.gz JCQXTBYLMPCKPF-UHFFFAOYSA-N -2 0 302.695 1.827 20 0 DDADRL CS[C@@H]1CCCC[C@H]1NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000235050080 407717414 /nfs/dbraw/zinc/71/74/14/407717414.db2.gz FBDNDYYWUPKZKX-RKDXNWHRSA-N -2 0 319.408 1.060 20 0 DDADRL Cn1cnc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])c1 ZINC000281710529 408915069 /nfs/dbraw/zinc/91/50/69/408915069.db2.gz CJVQDHSVDHWTAZ-UHFFFAOYSA-N -2 0 323.374 1.628 20 0 DDADRL CC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(O)ccc2Cl)C1=O ZINC000289332714 409251401 /nfs/dbraw/zinc/25/14/01/409251401.db2.gz HXNIBFREIMKQEZ-ZDUSSCGKSA-N -2 0 311.725 1.411 20 0 DDADRL COCc1nc(=NC(=O)c2c(F)ccc(O)c2F)s[n-]1 ZINC000580245543 422907540 /nfs/dbraw/zinc/90/75/40/422907540.db2.gz UGRDARMJMJPZGB-UHFFFAOYSA-N -2 0 301.274 1.343 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](NC(=O)N=c2[n-]nc(C(F)F)s2)C1 ZINC000647694569 423000845 /nfs/dbraw/zinc/00/08/45/423000845.db2.gz AWAIKZFRFUGSRW-UHNVWZDZSA-N -2 0 306.294 1.272 20 0 DDADRL CC[C@@H](NS(=O)(=O)c1ncccc1C(F)(F)F)C(=O)[O-] ZINC000646019678 423293195 /nfs/dbraw/zinc/29/31/95/423293195.db2.gz UXITXYHKNUZXQO-SSDOTTSWSA-N -2 0 312.269 1.242 20 0 DDADRL CCCCCc1n[n-]c(=NC(=O)NC[C@H](C)C(=O)[O-])s1 ZINC000653534380 423516384 /nfs/dbraw/zinc/51/63/84/423516384.db2.gz JHWSHVINORWUBA-QMMMGPOBSA-N -2 0 300.384 1.535 20 0 DDADRL COCc1nc(=N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)s[n-]1 ZINC000649403355 423861887 /nfs/dbraw/zinc/86/18/87/423861887.db2.gz AYCKATPJLACZNH-WDEREUQCSA-N -2 0 305.359 1.832 20 0 DDADRL C[C@H](CC(=O)[O-])n1cc(-c2cc(C(=O)[O-])ccc2CO)cn1 ZINC000657207027 424212938 /nfs/dbraw/zinc/21/29/38/424212938.db2.gz JKHPUEMQNKJMHF-SECBINFHSA-N -2 0 304.302 1.776 20 0 DDADRL O=C([O-])CN(C(=O)c1cc(F)c(F)c([O-])c1F)C1CCC1 ZINC000655587719 424584013 /nfs/dbraw/zinc/58/40/13/424584013.db2.gz MFNLEKGQRNWUJS-UHFFFAOYSA-N -2 0 303.236 1.889 20 0 DDADRL Cc1cccc([C@@H](NC(=O)N=c2[n-]ncs2)C(=O)[O-])c1C ZINC000555760030 303722708 /nfs/dbraw/zinc/72/27/08/303722708.db2.gz FXHVLFKKZMYCFP-SNVBAGLBSA-N -2 0 306.347 1.524 20 0 DDADRL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000417425132 533698598 /nfs/dbraw/zinc/69/85/98/533698598.db2.gz XNCGKMZRKJVNLN-SCSAIBSYSA-N -2 0 315.244 1.385 20 0 DDADRL CO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O)C1CC1 ZINC000581548467 325873406 /nfs/dbraw/zinc/87/34/06/325873406.db2.gz IZSMQHRKWOCRAX-GFCCVEGCSA-N -2 0 315.347 1.257 20 0 DDADRL CCc1ccccc1-n1cc([O-])c(C(=O)NC[C@H](C)C(=O)[O-])n1 ZINC000656231832 484037169 /nfs/dbraw/zinc/03/71/69/484037169.db2.gz PNVBOUPHNWXVCZ-JTQLQIEISA-N -2 0 317.345 1.591 20 0 DDADRL CCCc1nc(=NC(=O)NCC(CC)(CC)C(=O)[O-])s[n-]1 ZINC000424385448 528688874 /nfs/dbraw/zinc/68/88/74/528688874.db2.gz GEXKKTMKEVFVCC-UHFFFAOYSA-N -2 0 314.411 1.925 20 0 DDADRL O=C([O-])[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000739548222 599729034 /nfs/dbraw/zinc/72/90/34/599729034.db2.gz OWLAZMZRYVGBKT-BQBZGAKWSA-N -2 0 321.713 1.005 20 0 DDADRL Cc1ccnc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000314366414 599882764 /nfs/dbraw/zinc/88/27/64/599882764.db2.gz XUGABIVFWVAYHH-UHFFFAOYSA-N -2 0 322.342 1.654 20 0 DDADRL Cc1noc(C)c1S(=O)(=O)[N-]c1nc(CC(=O)[O-])cs1 ZINC000021815872 600051237 /nfs/dbraw/zinc/05/12/37/600051237.db2.gz LZXXGZSGXZYVLJ-UHFFFAOYSA-N -2 0 317.348 1.176 20 0 DDADRL COc1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000738142346 600103826 /nfs/dbraw/zinc/10/38/26/600103826.db2.gz AFZKSMJESIICPO-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL Cc1nn(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1C ZINC000738546119 600126721 /nfs/dbraw/zinc/12/67/21/600126721.db2.gz GRVQDUAIOUWKRP-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL Cc1ccnc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000035296010 600244010 /nfs/dbraw/zinc/24/40/10/600244010.db2.gz GDEGUPZUDLWBMN-UHFFFAOYSA-N -2 0 306.343 1.818 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n(C)n1 ZINC000737252707 600246649 /nfs/dbraw/zinc/24/66/49/600246649.db2.gz QPSVCRKINRHQBQ-UHFFFAOYSA-N -2 0 309.347 1.482 20 0 DDADRL CCOc1ccccc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000737212727 600466330 /nfs/dbraw/zinc/46/63/30/600466330.db2.gz JLYHGYCXPNZTSG-UHFFFAOYSA-N -2 0 315.347 1.010 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)s1 ZINC000038030519 600530215 /nfs/dbraw/zinc/53/02/15/600530215.db2.gz IFKYRSOOBCEWTK-UHFFFAOYSA-N -2 0 301.349 1.138 20 0 DDADRL O=C([O-])CCc1nnc([N-]C(=O)c2scnc2Cl)s1 ZINC000739781166 600633905 /nfs/dbraw/zinc/63/39/05/600633905.db2.gz JGRXNPRRYDFFMP-UHFFFAOYSA-N -2 0 318.767 1.918 20 0 DDADRL O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000391970673 600874937 /nfs/dbraw/zinc/87/49/37/600874937.db2.gz XTRQFQOLXVCPSK-QWRGUYRKSA-N -2 0 315.333 1.696 20 0 DDADRL O=C([O-])C1(NC(=O)CSc2n[n-]c(=S)s2)CCCC1 ZINC000819165414 601197949 /nfs/dbraw/zinc/19/79/49/601197949.db2.gz GKBHFAVARFVPOA-UHFFFAOYSA-N -2 0 319.433 1.433 20 0 DDADRL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1F ZINC000050196020 601257843 /nfs/dbraw/zinc/25/78/43/601257843.db2.gz FQJYWMLONCXSRF-UHFFFAOYSA-N -2 0 307.318 1.887 20 0 DDADRL CC(C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)no1 ZINC000827113003 601362521 /nfs/dbraw/zinc/36/25/21/601362521.db2.gz SWCQZUHCPNMDGM-UHFFFAOYSA-N -2 0 313.335 1.636 20 0 DDADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000832265032 601362948 /nfs/dbraw/zinc/36/29/48/601362948.db2.gz JNXYMBXGYRDTCJ-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)C2CCCC2)C1 ZINC000833185142 601599734 /nfs/dbraw/zinc/59/97/34/601599734.db2.gz VMXSWCWHFRSKNJ-VHSXEESVSA-N -2 0 303.380 1.266 20 0 DDADRL CCc1csc([N-]S(=O)(=O)c2csnc2C(=O)[O-])n1 ZINC000830298780 601768074 /nfs/dbraw/zinc/76/80/74/601768074.db2.gz DTTLCELQAKOLLE-UHFFFAOYSA-N -2 0 319.389 1.661 20 0 DDADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000827304233 602188352 /nfs/dbraw/zinc/18/83/52/602188352.db2.gz RNYVQNINKHIKBX-VIFPVBQESA-N -2 0 322.342 1.151 20 0 DDADRL O=C([O-])NCCCC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000739960361 602325833 /nfs/dbraw/zinc/32/58/33/602325833.db2.gz JCLGYNYFUJMHFS-UHFFFAOYSA-N -2 0 306.278 1.016 20 0 DDADRL CCC[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C)s1 ZINC000739321070 602669856 /nfs/dbraw/zinc/66/98/56/602669856.db2.gz UMEBABNIRAYRHJ-MRVPVSSYSA-N -2 0 320.392 1.298 20 0 DDADRL O=C([O-])N1CC[C@H](C(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)C1 ZINC000740456931 602959723 /nfs/dbraw/zinc/95/97/23/602959723.db2.gz LPTVQITUHPNGRW-UPZNUWHASA-N -2 0 324.358 1.103 20 0 DDADRL O=C([O-])NC1CCC(NC(=O)c2cc3c(cc2O)OCO3)CC1 ZINC000740557344 603111253 /nfs/dbraw/zinc/11/12/53/603111253.db2.gz BARMJDKVPQGYLG-UHFFFAOYSA-N -2 0 322.317 1.430 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000826576675 603447902 /nfs/dbraw/zinc/44/79/02/603447902.db2.gz XWWZVRBOHCIWCG-ZJUUUORDSA-N -2 0 320.411 1.447 20 0 DDADRL CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cn1 ZINC000833495413 604689971 /nfs/dbraw/zinc/68/99/71/604689971.db2.gz YNTUGJBRJIDIMM-UHFFFAOYSA-N -2 0 324.362 1.433 20 0 DDADRL COc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833733785 604691092 /nfs/dbraw/zinc/69/10/92/604691092.db2.gz PUYWCVLHFSEBSI-UHFFFAOYSA-N -2 0 324.314 1.295 20 0 DDADRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833403136 605183167 /nfs/dbraw/zinc/18/31/67/605183167.db2.gz BHFCGTAZDRSQCP-UHFFFAOYSA-N -2 0 309.299 1.981 20 0 DDADRL O=C([O-])N1CCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000834111576 605317317 /nfs/dbraw/zinc/31/73/17/605317317.db2.gz LJAGSKOKAFRKPE-UHFFFAOYSA-N -2 0 320.280 1.458 20 0 DDADRL CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000826992183 605421208 /nfs/dbraw/zinc/42/12/08/605421208.db2.gz CMTUGJISOLOIKP-UHFFFAOYSA-N -2 0 315.351 1.011 20 0 DDADRL O=C([O-])c1cn(C2CN(C(=O)c3cccc(Cl)c3[O-])C2)nn1 ZINC000833783987 605542612 /nfs/dbraw/zinc/54/26/12/605542612.db2.gz SFMCAMFMHHKDTH-UHFFFAOYSA-N -2 0 322.708 1.032 20 0 DDADRL CC(C)(CNC(=O)c1cc(F)cc(Cl)c1[O-])NC(=O)[O-] ZINC000823997320 605673754 /nfs/dbraw/zinc/67/37/54/605673754.db2.gz MYRRCLHJUHNCHN-UHFFFAOYSA-N -2 0 304.705 1.961 20 0 DDADRL O=C([O-])CC1(CC(=O)NCC2CN(C(=O)[O-])C2)CCCCC1 ZINC000834061253 605721023 /nfs/dbraw/zinc/72/10/23/605721023.db2.gz RPENHEBGPMOBTB-UHFFFAOYSA-N -2 0 312.366 1.528 20 0 DDADRL O=C([O-])N1CC(CNC(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000834036609 605786114 /nfs/dbraw/zinc/78/61/14/605786114.db2.gz MXTSKOXYMIAJJU-UHFFFAOYSA-N -2 0 302.689 1.524 20 0 DDADRL O=C([O-])C[C@H](NC(=O)CC1CN(C(=O)[O-])C1)c1ccccc1 ZINC000834061129 606029675 /nfs/dbraw/zinc/02/96/75/606029675.db2.gz OXMDAQNPUKOQTG-LBPRGKRZSA-N -2 0 306.318 1.319 20 0 DDADRL O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CC1CN(C(=O)[O-])C1 ZINC000834061518 606048179 /nfs/dbraw/zinc/04/81/79/606048179.db2.gz WMFVKGRAKREDRC-CYBMUJFWSA-N -2 0 318.329 1.024 20 0 DDADRL Cc1oc(CN(C)C(=O)CN(CC2CC2)C(=O)[O-])cc1C(=O)[O-] ZINC000833936616 606054945 /nfs/dbraw/zinc/05/49/45/606054945.db2.gz ZPZWRORNBUMFOO-UHFFFAOYSA-N -2 0 324.333 1.635 20 0 DDADRL O=C([O-])/C=C\c1ccc(NC(=O)[C@@H]2CSCN2C(=O)[O-])cc1 ZINC000834059891 606055085 /nfs/dbraw/zinc/05/50/85/606055085.db2.gz DAXRRCOCNHSDGH-UUSYTGMJSA-N -2 0 322.342 1.776 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000834171829 606056580 /nfs/dbraw/zinc/05/65/80/606056580.db2.gz GSSBRQJYEFLBGE-GZMMTYOYSA-N -2 0 310.281 1.899 20 0 DDADRL O=C([O-])Nc1cccc(C(=O)NCc2nc(C(=O)[O-])cs2)c1 ZINC000834264359 606062370 /nfs/dbraw/zinc/06/23/70/606062370.db2.gz KMKFCVJBIPYNJY-UHFFFAOYSA-N -2 0 321.314 1.861 20 0 DDADRL O=C([O-])[C@H](CNC(=O)[C@@H]1CSCN1C(=O)[O-])c1ccccc1 ZINC000834057185 606064839 /nfs/dbraw/zinc/06/48/39/606064839.db2.gz BCWMTVXNQOQELS-MNOVXSKESA-N -2 0 324.358 1.024 20 0 DDADRL O=C([O-])[C@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])c1ccccc1F ZINC000833987296 606067467 /nfs/dbraw/zinc/06/74/67/606067467.db2.gz HMRXIFIOIJNHKD-NOZJJQNGSA-N -2 0 324.308 1.600 20 0 DDADRL O=C([O-])[C@H]1CCN(C(=O)[C@H]2c3ccccc3CCN2C(=O)[O-])C1 ZINC000834061691 606112919 /nfs/dbraw/zinc/11/29/19/606112919.db2.gz XWGOWLDRVLXZGP-WCQYABFASA-N -2 0 318.329 1.197 20 0 DDADRL O=C(c1cccc(Cl)c1[O-])N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000839758656 701813316 /nfs/dbraw/zinc/81/33/16/701813316.db2.gz PQVNFXYNXNJRGQ-QMMMGPOBSA-N -2 0 322.752 1.889 20 0 DDADRL O=C([O-])c1cc2cccnc2c([N-]S(=O)(=O)c2c[nH]cn2)c1 ZINC000821106093 704372087 /nfs/dbraw/zinc/37/20/87/704372087.db2.gz CICWUMCCEFTPTH-UHFFFAOYSA-N -2 0 318.314 1.457 20 0 DDADRL CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)C(=O)[O-] ZINC000856722843 704535312 /nfs/dbraw/zinc/53/53/12/704535312.db2.gz RPFXJZYESDWZLA-SECBINFHSA-N -2 0 321.738 1.180 20 0 DDADRL Cc1cccc(S(=O)(=O)[N-]C(=O)C2(CC(=O)[O-])CCC2)c1 ZINC000863953186 706044966 /nfs/dbraw/zinc/04/49/66/706044966.db2.gz OWCUZMPQYNEWSV-UHFFFAOYSA-N -2 0 311.359 1.445 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCC1 ZINC000863954945 706045709 /nfs/dbraw/zinc/04/57/09/706045709.db2.gz TXSMEWKTPUCCRK-SNVBAGLBSA-N -2 0 305.396 1.514 20 0 DDADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CC1 ZINC000863955711 706046243 /nfs/dbraw/zinc/04/62/43/706046243.db2.gz VTQKFGVIJNJBCX-JOYOIKCWSA-N -2 0 311.359 1.304 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)c(C)o1 ZINC000863958367 706046533 /nfs/dbraw/zinc/04/65/33/706046533.db2.gz VZPRCTGSNAWCMC-JTQLQIEISA-N -2 0 303.336 1.058 20 0 DDADRL O=C([N-]OC/C=C/Cl)C(F)(F)C(=O)[N-]OC/C=C/Cl ZINC000865998876 706589784 /nfs/dbraw/zinc/58/97/84/706589784.db2.gz CTLUFOMEUWFORJ-ZPUQHVIOSA-N -2 0 319.091 1.222 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000871770888 707195579 /nfs/dbraw/zinc/19/55/79/707195579.db2.gz OSFBBPIEYSGTAM-XGEHTFHBSA-N -2 0 317.329 1.746 20 0 DDADRL COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc([O-])c(Cl)c1 ZINC000909376283 713003409 /nfs/dbraw/zinc/00/34/09/713003409.db2.gz JTJQMSGNJMGCAY-CYBMUJFWSA-N -2 0 301.726 1.655 20 0 DDADRL O=C([O-])c1cccc(-n2[n-]c3c(c2=O)CC2(CC3)OCCO2)c1 ZINC000887287025 709007765 /nfs/dbraw/zinc/00/77/65/709007765.db2.gz JIUVAVAUDFQPJL-GFCCVEGCSA-N -2 0 316.313 1.631 20 0 DDADRL C/C(=C/C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1cccs1 ZINC000910183261 709801055 /nfs/dbraw/zinc/80/10/55/709801055.db2.gz LZOWHXCXYHRIDT-ZNWQGHSCSA-N -2 0 323.370 1.928 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1ccccc1 ZINC000910186925 709802436 /nfs/dbraw/zinc/80/24/36/709802436.db2.gz XTUSRQOOESXOTH-QWHCGFSZSA-N -2 0 305.330 1.396 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCc2cccs2)C1 ZINC000910187844 709803053 /nfs/dbraw/zinc/80/30/53/709803053.db2.gz HCJJIKUCOHEHKG-KOLCDFICSA-N -2 0 311.359 1.457 20 0 DDADRL O=C([O-])C1=NN(c2ccccc2)[C@H](C(=O)[N-]OCC(F)F)C1 ZINC000911803822 711002195 /nfs/dbraw/zinc/00/21/95/711002195.db2.gz VJGOVLQWEZHZES-JTQLQIEISA-N -2 0 313.260 1.019 20 0 DDADRL O=C(c1cc(F)cc(F)c1[O-])N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000935036568 714960905 /nfs/dbraw/zinc/96/09/05/714960905.db2.gz DMMMNXRKHBGDEF-SSDOTTSWSA-N -2 0 309.276 1.203 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2ncccc2O)cc1C(=O)[O-] ZINC001184659560 744079149 /nfs/dbraw/zinc/07/91/49/744079149.db2.gz IUHDFLBNLNUUCM-UHFFFAOYSA-N -2 0 308.315 1.595 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cncc(O)c2)cc1C(=O)[O-] ZINC001184664154 744080225 /nfs/dbraw/zinc/08/02/25/744080225.db2.gz NDDHVMLIMRORFC-UHFFFAOYSA-N -2 0 308.315 1.595 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CO)n1 ZINC001185877705 744306991 /nfs/dbraw/zinc/30/69/91/744306991.db2.gz SIHSHFXLIMZBRD-UHFFFAOYSA-N -2 0 322.342 1.381 20 0 DDADRL COC(=O)CCCCS(=O)(=O)[N-]c1ncc(F)cc1[O-] ZINC001196925199 746998299 /nfs/dbraw/zinc/99/82/99/746998299.db2.gz PTNHZWNOIQDRHT-UHFFFAOYSA-N -2 0 306.315 1.011 20 0 DDADRL Cc1ccc(N)cc1S(=O)(=O)[N-]c1cncc(C(=O)[O-])c1 ZINC001175842005 777923570 /nfs/dbraw/zinc/92/35/70/777923570.db2.gz JWJUGICRNHKMGY-UHFFFAOYSA-N -2 0 307.331 1.471 20 0 DDADRL Nc1ccc2c(c1)c(=O)[nH]n2-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241780 778092440 /nfs/dbraw/zinc/09/24/40/778092440.db2.gz XAYNKYIZDOHJBA-UHFFFAOYSA-N -2 0 313.269 1.710 20 0 DDADRL COc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC001176712976 778231031 /nfs/dbraw/zinc/23/10/31/778231031.db2.gz WMJQABXVSFODKD-UHFFFAOYSA-N -2 0 322.342 1.776 20 0 DDADRL Cc1ccc2c(/C=C/C(=O)NCCOP(=O)([O-])[O-])c[nH]c2c1 ZINC001178496165 779054967 /nfs/dbraw/zinc/05/49/67/779054967.db2.gz QPDPENOKUMIAHN-HWKANZROSA-N -2 0 324.273 1.715 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cc2c(cccc2F)[nH]1 ZINC001151113240 862632348 /nfs/dbraw/zinc/63/23/48/862632348.db2.gz JMWQOYANABECTG-UHFFFAOYSA-N -2 0 302.198 1.146 20 0 DDADRL Cc1ccc2ncc([O-])c(C(=O)N=c3[nH]cnn4cccc34)c2c1 ZINC001154527961 861176694 /nfs/dbraw/zinc/17/66/94/861176694.db2.gz KLIZPNSWPHEZRJ-UHFFFAOYSA-N -2 0 319.324 1.966 20 0 DDADRL O=C([O-])C[C@H](C(=O)Oc1ccc(C(F)F)cc1)[C@H](O)C(=O)[O-] ZINC001229709341 884122581 /nfs/dbraw/zinc/12/25/81/884122581.db2.gz NDVAVYKPSZQOJA-WPRPVWTQSA-N -2 0 318.228 1.066 20 0 DDADRL O=C([O-])c1ccc(-c2ccc3c(c2)C(=O)[N-]S3(=O)=O)cc1 ZINC001236060517 889092355 /nfs/dbraw/zinc/09/23/55/889092355.db2.gz IYCSLVAYIVDVGD-UHFFFAOYSA-N -2 0 303.295 1.484 20 0 DDADRL O=C1COc2ccc(-c3ccc(P(=O)([O-])[O-])cc3)cc2N1 ZINC001239103413 890497235 /nfs/dbraw/zinc/49/72/35/890497235.db2.gz SOGPGJDQGWHPMW-UHFFFAOYSA-N -2 0 305.226 1.488 20 0 DDADRL CC(=O)NCc1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cc1 ZINC001240152458 890814535 /nfs/dbraw/zinc/81/45/35/890814535.db2.gz JZAWQZBWWMCPHH-UHFFFAOYSA-N -2 0 305.270 1.793 20 0 DDADRL Cc1cc(-c2ccc(P(=O)([O-])[O-])cc2)cc2c1OCC(=O)N2 ZINC001244068453 891791226 /nfs/dbraw/zinc/79/12/26/891791226.db2.gz INBCWEYNIZFAJY-UHFFFAOYSA-N -2 0 319.253 1.796 20 0 DDADRL Cc1cncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC001260208757 899090456 /nfs/dbraw/zinc/09/04/56/899090456.db2.gz WORVUBXFTRENGA-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL CC(=O)c1ncccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260222026 899095551 /nfs/dbraw/zinc/09/55/51/899095551.db2.gz HJDZZSUDFSVDSA-UHFFFAOYSA-N -2 0 320.326 1.783 20 0 DDADRL Cc1cnc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)nc1C ZINC001260391844 899133165 /nfs/dbraw/zinc/13/31/65/899133165.db2.gz WEWUZPOYZQNALR-UHFFFAOYSA-N -2 0 323.330 1.298 20 0 DDADRL CCc1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC000446990760 529759010 /nfs/dbraw/zinc/75/90/10/529759010.db2.gz LYPLRVOBMDLPIF-UHFFFAOYSA-N -2 0 307.331 1.538 20 0 DDADRL CC(C)COc1ccc(C(=O)N=c2ncn(CC(=O)[O-])[n-]2)cc1 ZINC000622043447 365208615 /nfs/dbraw/zinc/20/86/15/365208615.db2.gz AZCTZJKOTKDIRM-UHFFFAOYSA-N -2 0 318.333 1.072 20 0 DDADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)NCCCC(=O)[O-] ZINC000262588374 203340597 /nfs/dbraw/zinc/34/05/97/203340597.db2.gz HFOCNQVVBXROEH-UHFFFAOYSA-N -2 0 314.363 1.043 20 0 DDADRL COc1cc(C(=O)[O-])ccc1CCN=c1[n-]nc(C(C)C)o1 ZINC000566741005 304178203 /nfs/dbraw/zinc/17/82/03/304178203.db2.gz QWOACOYNAMEHJJ-UHFFFAOYSA-N -2 0 305.334 1.976 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c[nH]1 ZINC000070069698 406809359 /nfs/dbraw/zinc/80/93/59/406809359.db2.gz UBFVBNAJBHOOJR-UHFFFAOYSA-N -2 0 315.738 1.871 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000013059507 406858423 /nfs/dbraw/zinc/85/84/23/406858423.db2.gz XSSCVSKZVZCUCP-UHFFFAOYSA-N -2 0 321.310 1.884 20 0 DDADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccnc1 ZINC000111309644 407406535 /nfs/dbraw/zinc/40/65/35/407406535.db2.gz HPAHUVNBQWUIOQ-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]nc1C ZINC000111309660 407406637 /nfs/dbraw/zinc/40/66/37/407406637.db2.gz GCYQHQZDEHWOCV-UHFFFAOYSA-N -2 0 311.319 1.226 20 0 DDADRL CCC(CC)(CNC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)C(=O)[O-] ZINC000571163385 304441057 /nfs/dbraw/zinc/44/10/57/304441057.db2.gz BVSIDDQHOZLXNB-QWRGUYRKSA-N -2 0 314.382 1.630 20 0 DDADRL CCc1ccc([N-]S(=O)(=O)c2cnn(C)c2)c(C(=O)[O-])c1 ZINC000313825091 164011515 /nfs/dbraw/zinc/01/15/15/164011515.db2.gz LYUQMVRGKRPMID-UHFFFAOYSA-N -2 0 309.347 1.482 20 0 DDADRL O=C([O-])Cc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000357868861 410307303 /nfs/dbraw/zinc/30/73/03/410307303.db2.gz KCQFYLQPLXFZPX-UHFFFAOYSA-N -2 0 324.314 1.141 20 0 DDADRL CC[C@@H](CS(=O)(=O)[N-]c1cc(C(C)=O)ccc1[O-])OC ZINC000421150425 419502805 /nfs/dbraw/zinc/50/28/05/419502805.db2.gz IREDBLGKIXRCBC-NSHDSACASA-N -2 0 301.364 1.762 20 0 DDADRL COC[C@H](C)S(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000547544483 421342100 /nfs/dbraw/zinc/34/21/00/421342100.db2.gz HMNVNTHOPOTKMU-ZETCQYMHSA-N -2 0 318.307 1.070 20 0 DDADRL CN(CC(C)(C)C)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000548876834 421481695 /nfs/dbraw/zinc/48/16/95/421481695.db2.gz SFPXVQNZALEJQD-ZJUUUORDSA-N -2 0 300.355 1.192 20 0 DDADRL O=C([O-])[C@@]1(CN=c2nc(-c3ccccc3)o[n-]2)CCCOC1 ZINC000630463985 422118665 /nfs/dbraw/zinc/11/86/65/422118665.db2.gz STHYZHKZCSQMMK-OAHLLOKOSA-N -2 0 303.318 1.452 20 0 DDADRL C[C@](CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)(C(=O)[O-])c1ccccc1 ZINC000653324145 423440255 /nfs/dbraw/zinc/44/02/55/423440255.db2.gz JGWPCKYMYQUWFY-BWACUDIHSA-N -2 0 319.357 1.646 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC000653327448 423442700 /nfs/dbraw/zinc/44/27/00/423442700.db2.gz YPJLRJNSDRAZRI-GZZJDILISA-N -2 0 317.341 1.917 20 0 DDADRL CO[C@H](C)c1nc(=NC(=O)NC[C@@H](C(=O)[O-])C(C)C)s[n-]1 ZINC000653546146 423521192 /nfs/dbraw/zinc/52/11/92/423521192.db2.gz ZIPXPYQOYQLHBD-HTQZYQBOSA-N -2 0 316.383 1.146 20 0 DDADRL O=C([O-])COc1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000659761519 424230477 /nfs/dbraw/zinc/23/04/77/424230477.db2.gz MLJGRKYGGHISPR-UHFFFAOYSA-N -2 0 321.329 1.523 20 0 DDADRL C[C@@H](C(=O)[O-])N(C(=O)c1ccc(OCC(=O)[O-])cc1)C1CC1 ZINC000659764659 424231810 /nfs/dbraw/zinc/23/18/10/424231810.db2.gz MJDCBTSCTYJVQY-VIFPVBQESA-N -2 0 307.302 1.228 20 0 DDADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000659763132 424233306 /nfs/dbraw/zinc/23/33/06/424233306.db2.gz CKWSZAMEQITNBS-PWSUYJOCSA-N -2 0 321.329 1.333 20 0 DDADRL CCc1ncc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cn1 ZINC000357133154 298973605 /nfs/dbraw/zinc/97/36/05/298973605.db2.gz UCYHJOSFJGVSNG-UHFFFAOYSA-N -2 0 321.358 1.467 20 0 DDADRL Cc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000362433829 300062046 /nfs/dbraw/zinc/06/20/46/300062046.db2.gz IGLYAPKRVXKBPE-UHFFFAOYSA-N -2 0 323.326 1.905 20 0 DDADRL CC1(c2nc(=NC(=O)c3ccc4oc(=O)nc-4[n-]3)s[n-]2)CC1 ZINC000529695572 303145577 /nfs/dbraw/zinc/14/55/77/303145577.db2.gz AQZZPSWMCVWOFM-UHFFFAOYSA-N -2 0 317.330 1.506 20 0 DDADRL CCc1cccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c1 ZINC000540292373 303404893 /nfs/dbraw/zinc/40/48/93/303404893.db2.gz UZPXVADQMKJVHH-UHFFFAOYSA-N -2 0 309.347 1.482 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-] ZINC000547639661 307741602 /nfs/dbraw/zinc/74/16/02/307741602.db2.gz NVUIRRKCMIDTIH-NKWVEPMBSA-N -2 0 305.318 1.746 20 0 DDADRL Cc1n[n-]c(=NC(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)s1 ZINC000567563077 308084141 /nfs/dbraw/zinc/08/41/41/308084141.db2.gz GPIVVKWWOCEONM-LLVKDONJSA-N -2 0 320.374 1.833 20 0 DDADRL C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000663057457 484633134 /nfs/dbraw/zinc/63/31/34/484633134.db2.gz RSZWBEHFUXFDDS-JQWIXIFHSA-N -2 0 321.329 1.475 20 0 DDADRL O=C([O-])COc1ccc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000663118951 484683257 /nfs/dbraw/zinc/68/32/57/484683257.db2.gz IRDVRJRNQZYKFK-GFCCVEGCSA-N -2 0 321.329 1.619 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2cnoc2)cc1CC(=O)[O-] ZINC000678716249 485665948 /nfs/dbraw/zinc/66/59/48/485665948.db2.gz BMBIXWHAWCQRPU-UHFFFAOYSA-N -2 0 312.303 1.111 20 0 DDADRL Cc1[nH]nc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c1[O-] ZINC000676631263 486273186 /nfs/dbraw/zinc/27/31/86/486273186.db2.gz PFEMYNOSNNJREO-UHFFFAOYSA-N -2 0 319.346 1.406 20 0 DDADRL Cn1ncc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1C(F)F ZINC000677551177 486494452 /nfs/dbraw/zinc/49/44/52/486494452.db2.gz XJUBTQCPILZVPU-UHFFFAOYSA-N -2 0 320.277 1.185 20 0 DDADRL CCCc1nc(=NC(=O)NCCCCCC(=O)[O-])s[n-]1 ZINC000417804742 528688789 /nfs/dbraw/zinc/68/87/89/528688789.db2.gz ZHHJEDYDTAKTGQ-UHFFFAOYSA-N -2 0 300.384 1.679 20 0 DDADRL C[C@H](C(=O)[O-])N(C)C(=O)c1cccc(Br)c1[O-] ZINC000817762791 597469461 /nfs/dbraw/zinc/46/94/61/597469461.db2.gz YSKKKMOPUKKAFO-ZCFIWIBFSA-N -2 0 302.124 1.700 20 0 DDADRL O=C([O-])[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000739545765 599727696 /nfs/dbraw/zinc/72/76/96/599727696.db2.gz BWJUCCNRJIGMEO-CHWSQXEVSA-N -2 0 323.370 1.091 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2Cl)o1 ZINC000037463973 599734755 /nfs/dbraw/zinc/73/47/55/599734755.db2.gz HHUHKFKKHRYTNR-UHFFFAOYSA-N -2 0 302.695 1.827 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)o1 ZINC000037789786 599738117 /nfs/dbraw/zinc/73/81/17/599738117.db2.gz PCOJAQCBXSYMBM-UHFFFAOYSA-N -2 0 307.287 1.655 20 0 DDADRL Cc1ccc(/C=C\S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1 ZINC000738582949 599739391 /nfs/dbraw/zinc/73/93/91/599739391.db2.gz MYUITKGENQVGNH-CLFYSBASSA-N -2 0 321.358 1.689 20 0 DDADRL COc1cccnc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000738143308 600103818 /nfs/dbraw/zinc/10/38/18/600103818.db2.gz UYAZRCPCNMMUNI-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL Cc1nn(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1C ZINC000738917809 600126933 /nfs/dbraw/zinc/12/69/33/600126933.db2.gz FXUUERCJOGYONH-UHFFFAOYSA-N -2 0 315.376 1.597 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(C)c2C)c1C(=O)[O-] ZINC000738736753 600229372 /nfs/dbraw/zinc/22/93/72/600229372.db2.gz VILORHGSCAHMJU-UHFFFAOYSA-N -2 0 309.347 1.834 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c1C(=O)[O-] ZINC000738828240 600234309 /nfs/dbraw/zinc/23/43/09/600234309.db2.gz UPDNJHVWEAXCIR-UHFFFAOYSA-N -2 0 321.318 1.093 20 0 DDADRL C[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736562971 600465495 /nfs/dbraw/zinc/46/54/95/600465495.db2.gz QDKHXOOABVVRJQ-SNVBAGLBSA-N -2 0 305.396 1.514 20 0 DDADRL C[C@H](CS(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-])C(=O)[O-] ZINC000827571729 601615818 /nfs/dbraw/zinc/61/58/18/601615818.db2.gz QENQCUVNHWPPCC-ZCFIWIBFSA-N -2 0 321.738 1.501 20 0 DDADRL CC(C)N(CCC(=O)[O-])C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000826947041 602298722 /nfs/dbraw/zinc/29/87/22/602298722.db2.gz OOEQSXCVCXESIB-UHFFFAOYSA-N -2 0 317.345 1.903 20 0 DDADRL CC(C)CCS(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)NC(=O)[O-] ZINC000736435614 602651416 /nfs/dbraw/zinc/65/14/16/602651416.db2.gz IWVIHCBZTQYMMH-SNVBAGLBSA-N -2 0 308.400 1.161 20 0 DDADRL O=C([O-])[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccsc2)C1 ZINC000833184828 604413363 /nfs/dbraw/zinc/41/33/63/604413363.db2.gz UOJPEBRQOFPKMV-IUCAKERBSA-N -2 0 317.388 1.444 20 0 DDADRL CC(C)C[C@H](NS(=O)(=O)c1ccccc1C(=O)[O-])C(=O)[O-] ZINC000833491504 604881654 /nfs/dbraw/zinc/88/16/54/604881654.db2.gz YIZACDBTYNWESQ-JTQLQIEISA-N -2 0 315.347 1.162 20 0 DDADRL CC(C)CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826909928 604883065 /nfs/dbraw/zinc/88/30/65/604883065.db2.gz PWEDVKLULJLWBY-UHFFFAOYSA-N -2 0 303.311 1.240 20 0 DDADRL O=C([O-])[C@H](NC(=O)[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000834017403 606048336 /nfs/dbraw/zinc/04/83/36/606048336.db2.gz ZZVQHFJCSIQOOV-VXGBXAGGSA-N -2 0 306.318 1.319 20 0 DDADRL C[C@@H](C(=O)[O-])N(C)C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000833789829 606050803 /nfs/dbraw/zinc/05/08/03/606050803.db2.gz MBASOJNTOAPFTA-JQWIXIFHSA-N -2 0 308.334 1.707 20 0 DDADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C1(C(=O)[O-])CC1 ZINC000262302469 698463813 /nfs/dbraw/zinc/46/38/13/698463813.db2.gz LAZKSQCFVWMNSO-UHFFFAOYSA-N -2 0 307.331 1.220 20 0 DDADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC000842695020 702757928 /nfs/dbraw/zinc/75/79/28/702757928.db2.gz PMVGWTUARVVILH-HBNTYKKESA-N -2 0 322.365 1.107 20 0 DDADRL CCO[N-]C(=O)CNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000846494490 703283149 /nfs/dbraw/zinc/28/31/49/703283149.db2.gz UVDZQYUTEUQQPL-UHFFFAOYSA-N -2 0 307.133 1.497 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N(CC(=O)[O-])C1CCC1 ZINC000848454298 703552199 /nfs/dbraw/zinc/55/21/99/703552199.db2.gz LMCIPXOIRRCCAN-JTQLQIEISA-N -2 0 324.299 1.155 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000863952684 706044993 /nfs/dbraw/zinc/04/49/93/706044993.db2.gz CKQMSPOPXIJXNH-NSHDSACASA-N -2 0 317.338 1.129 20 0 DDADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000863956043 706046280 /nfs/dbraw/zinc/04/62/80/706046280.db2.gz HSWLFHQNILQXLG-NSHDSACASA-N -2 0 303.361 1.054 20 0 DDADRL CCCc1ccccc1S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-] ZINC000863964508 706047908 /nfs/dbraw/zinc/04/79/08/706047908.db2.gz VLRINZXGNOWNQK-UHFFFAOYSA-N -2 0 313.375 1.555 20 0 DDADRL Cc1cc(=O)[nH]c(CN2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)n1 ZINC000830121317 706459350 /nfs/dbraw/zinc/45/93/50/706459350.db2.gz BTZGTMAWIAHHLO-CHWSQXEVSA-N -2 0 320.393 1.845 20 0 DDADRL COc1cc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc(Cl)c1O ZINC000909307528 712987272 /nfs/dbraw/zinc/98/72/72/712987272.db2.gz LZNGIJHERYQLOO-ZDUSSCGKSA-N -2 0 317.700 1.693 20 0 DDADRL CO[C@@H]1CCN(C(=O)c2ccc([O-])c(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC000909980635 709716573 /nfs/dbraw/zinc/71/65/73/709716573.db2.gz CHYIIWFRXFAWPY-MWLCHTKSSA-N -2 0 313.737 1.750 20 0 DDADRL Cc1cc(C)c(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])s1 ZINC000910181451 709800602 /nfs/dbraw/zinc/80/06/02/709800602.db2.gz DMVDUOHKGASFPV-NXEZZACHSA-N -2 0 311.359 1.755 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cccc(Cl)c2)C1 ZINC000910186468 709802352 /nfs/dbraw/zinc/80/23/52/709802352.db2.gz RTBLSAYASQJKMX-MWLCHTKSSA-N -2 0 311.721 1.730 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2cccc(F)c2)C1 ZINC000910186453 709802532 /nfs/dbraw/zinc/80/25/32/709802532.db2.gz RIEGBTKSJBTHBN-PWSUYJOCSA-N -2 0 309.293 1.145 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CC1CCSCC1 ZINC000910190612 709804510 /nfs/dbraw/zinc/80/45/10/709804510.db2.gz ALRSTGVKUMLTNA-WDEREUQCSA-N -2 0 315.391 1.296 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)cc1 ZINC000910385366 709917821 /nfs/dbraw/zinc/91/78/21/709917821.db2.gz JLZZCCJHCJOGJM-AUZPSNTRSA-N -2 0 313.361 1.304 20 0 DDADRL Cn1[n-]nnc1=NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000910422370 709933585 /nfs/dbraw/zinc/93/35/85/709933585.db2.gz PFGZUEBLBVTULY-AWEZNQCLSA-N -2 0 311.345 1.141 20 0 DDADRL O=C([O-])C[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000906789956 712412130 /nfs/dbraw/zinc/41/21/30/712412130.db2.gz YVLRXJWPRZJDJA-QMMMGPOBSA-N -2 0 319.766 1.673 20 0 DDADRL CCCCN(CC)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906799205 712414037 /nfs/dbraw/zinc/41/40/37/712414037.db2.gz RSYPPLREROWCTA-UHFFFAOYSA-N -2 0 301.364 1.901 20 0 DDADRL Cc1nccc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)n1 ZINC001167935640 739730751 /nfs/dbraw/zinc/73/07/51/739730751.db2.gz BNVCEUYSCQKLHD-UHFFFAOYSA-N -2 0 305.274 1.870 20 0 DDADRL CC(=O)c1ccc(NC(=S)NCCOP(=O)([O-])[O-])cc1 ZINC001196577994 746912677 /nfs/dbraw/zinc/91/26/77/746912677.db2.gz VYXPRNBITZSOSB-UHFFFAOYSA-N -2 0 318.291 1.285 20 0 DDADRL Cc1nc(NCCOP(=O)([O-])[O-])cc(-c2cccnc2)n1 ZINC001168589878 751203928 /nfs/dbraw/zinc/20/39/28/751203928.db2.gz PIZLWTNBFJYPPC-UHFFFAOYSA-N -2 0 310.250 1.368 20 0 DDADRL Cc1nc(OCC(C)C)ccc1NCCOP(=O)([O-])[O-] ZINC001168594873 751258118 /nfs/dbraw/zinc/25/81/18/751258118.db2.gz CQZNXSAHHXAAEO-UHFFFAOYSA-N -2 0 304.283 1.946 20 0 DDADRL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-]C1(c2cccnc2)CC1 ZINC001180176785 779636333 /nfs/dbraw/zinc/63/63/33/779636333.db2.gz OOXOKSYQSXSKJM-UHFFFAOYSA-N -2 0 306.215 1.542 20 0 DDADRL O=P([O-])([O-])c1ccc(NCCc2ccc3c(c2)OCO3)cc1 ZINC001162087082 867242448 /nfs/dbraw/zinc/24/24/48/867242448.db2.gz AFDKJSLKGGTBTF-UHFFFAOYSA-N -2 0 321.269 1.873 20 0 DDADRL C[C@@H](Nc1ccc(P(=O)([O-])[O-])cc1)c1nnc2ccccn21 ZINC001162186578 867326197 /nfs/dbraw/zinc/32/61/97/867326197.db2.gz QZHMULKGJBIPQZ-SNVBAGLBSA-N -2 0 318.273 1.705 20 0 DDADRL O=C([O-])C[C@H](C(=O)Oc1ccc2sccc2c1)[C@H](O)C(=O)[O-] ZINC001229121392 883830480 /nfs/dbraw/zinc/83/04/80/883830480.db2.gz CBABFEINLJSBNX-CABZTGNLSA-N -2 0 324.310 1.343 20 0 DDADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(C2CCC2)cc1)[C@@H](O)C(=O)[O-] ZINC001234300928 887841663 /nfs/dbraw/zinc/84/16/63/887841663.db2.gz PUWLWNIMPFOJAV-TZMCWYRMSA-N -2 0 322.313 1.396 20 0 DDADRL Cc1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(C)c1C ZINC001234388927 887927468 /nfs/dbraw/zinc/92/74/68/887927468.db2.gz KXCHHWNYRYUSRA-YPMHNXCESA-N -2 0 310.302 1.054 20 0 DDADRL Cc1nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc(N(C)C)n1 ZINC001242159318 891354109 /nfs/dbraw/zinc/35/41/09/891354109.db2.gz MFSBCIQXRWXTKG-UHFFFAOYSA-N -2 0 302.290 1.309 20 0 DDADRL CNC(=O)c1cncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242162838 891355716 /nfs/dbraw/zinc/35/57/16/891355716.db2.gz KOAMKLQZPDFMPK-UHFFFAOYSA-N -2 0 300.270 1.505 20 0 DDADRL CN(C)c1nccnc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260183357 899077026 /nfs/dbraw/zinc/07/70/26/899077026.db2.gz MVPRXUDOAJKMQY-UHFFFAOYSA-N -2 0 322.346 1.042 20 0 DDADRL COc1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(C)n1 ZINC001260183890 899077144 /nfs/dbraw/zinc/07/71/44/899077144.db2.gz GZHHXLGNKNNYSB-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL Cn1cnc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)n1 ZINC001260867493 899286844 /nfs/dbraw/zinc/28/68/44/899286844.db2.gz ZXOAODIZGRJSKG-UHFFFAOYSA-N -2 0 323.161 1.628 20 0 DDADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)cn2)c1 ZINC000088248297 185243483 /nfs/dbraw/zinc/24/34/83/185243483.db2.gz RCONYIJLFAJTSE-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL O=C([O-])C[C@H](NS(=O)(=O)c1cccc2ccccc21)C(=O)[O-] ZINC000138589776 354122855 /nfs/dbraw/zinc/12/28/55/354122855.db2.gz LOKBWWCQPNFHHO-NSHDSACASA-N -2 0 323.326 1.046 20 0 DDADRL O=C([O-])CCNC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263348192 304056379 /nfs/dbraw/zinc/05/63/79/304056379.db2.gz HCTJLWXUGORQKO-GFCCVEGCSA-N -2 0 308.334 1.236 20 0 DDADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2cn(C)cn2)cc1)C(=O)[O-] ZINC000350729517 284249994 /nfs/dbraw/zinc/24/99/94/284249994.db2.gz LAYGVYIQDPQCNB-SNVBAGLBSA-N -2 0 323.374 1.484 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)cc1C(=O)[O-] ZINC000285199345 218329639 /nfs/dbraw/zinc/32/96/39/218329639.db2.gz WBPUTZCWZLKJNQ-UHFFFAOYSA-N -2 0 324.362 1.057 20 0 DDADRL Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000035306740 406971035 /nfs/dbraw/zinc/97/10/35/406971035.db2.gz SGKCNXAASOKCII-UHFFFAOYSA-N -2 0 314.294 1.930 20 0 DDADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccn(C)n2)c1 ZINC000156277043 408248920 /nfs/dbraw/zinc/24/89/20/408248920.db2.gz CZUGFLNZVPCGKI-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL Cc1ncc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000230017875 163344169 /nfs/dbraw/zinc/34/41/69/163344169.db2.gz YNBVVMIOVKBSBU-LLVKDONJSA-N -2 0 312.372 1.556 20 0 DDADRL COC(=O)c1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000314223244 164013970 /nfs/dbraw/zinc/01/39/70/164013970.db2.gz FCVDBTYJCFZCHQ-UHFFFAOYSA-N -2 0 324.314 1.300 20 0 DDADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cn(C)cn2)cc1 ZINC000317646916 164028229 /nfs/dbraw/zinc/02/82/29/164028229.db2.gz RHROEWCQFXZUQH-SNVBAGLBSA-N -2 0 323.374 1.799 20 0 DDADRL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000290736140 409502032 /nfs/dbraw/zinc/50/20/32/409502032.db2.gz WOAZFOJMMMTDOO-UHFFFAOYSA-N -2 0 323.374 1.465 20 0 DDADRL COC1(CS(=O)(=O)[N-]c2c(C)cccc2O)CCOCC1 ZINC000650184872 423076320 /nfs/dbraw/zinc/07/63/20/423076320.db2.gz CPCVZMKSEMJNQX-UHFFFAOYSA-N -2 0 315.391 1.638 20 0 DDADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnn3c2OCCC3)cc1 ZINC000647920072 423116998 /nfs/dbraw/zinc/11/69/98/423116998.db2.gz OUDIGNIHEVOQNS-UHFFFAOYSA-N -2 0 323.330 1.165 20 0 DDADRL COc1ccc(C(=O)N=c2nc([C@@H](C)OC)[n-]s2)c([O-])c1 ZINC000436592093 420341518 /nfs/dbraw/zinc/34/15/18/420341518.db2.gz ZLLLHNPPKWWTIS-SSDOTTSWSA-N -2 0 309.347 1.634 20 0 DDADRL CS[C@H]1CCC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000563071743 421450313 /nfs/dbraw/zinc/45/03/13/421450313.db2.gz HNDVAFQYQYQVDJ-UWVGGRQHSA-N -2 0 319.404 1.930 20 0 DDADRL CC(C)(CCNC(=O)N1CCC(C)(C(=O)[O-])CC1)C(=O)[O-] ZINC000646162885 423374829 /nfs/dbraw/zinc/37/48/29/423374829.db2.gz KFBHZXILABJYCQ-UHFFFAOYSA-N -2 0 300.355 1.384 20 0 DDADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H](CC)C(=O)[O-])n1 ZINC000647254614 423915865 /nfs/dbraw/zinc/91/58/65/423915865.db2.gz BPMQDRKUUKVLQK-NSHDSACASA-N -2 0 317.345 1.733 20 0 DDADRL CC(C)[C@H](CNC(=O)NC[C@H](C(=O)[O-])C1CCC1)C(=O)[O-] ZINC000665314679 424780732 /nfs/dbraw/zinc/78/07/32/424780732.db2.gz NAWBGCWGCWAOQR-QWRGUYRKSA-N -2 0 300.355 1.143 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCC(C)(C)C1 ZINC000560421960 303811436 /nfs/dbraw/zinc/81/14/36/303811436.db2.gz UUXSCDQBCWVWSA-XVKPBYJWSA-N -2 0 317.329 1.890 20 0 DDADRL O=C(N=c1cc([C@@H]2CCCO2)[nH][nH]1)c1c(F)ccc(O)c1F ZINC000570637621 308174598 /nfs/dbraw/zinc/17/45/98/308174598.db2.gz ZXONKDNOEZYFPC-JTQLQIEISA-N -2 0 309.272 1.919 20 0 DDADRL C[C@](CNC(=O)C1(C(=O)[O-])CC=CC1)(C(=O)[O-])c1ccccc1 ZINC000663120070 484683900 /nfs/dbraw/zinc/68/39/00/484683900.db2.gz OQSRIQKBRXVZLG-MRXNPFEDSA-N -2 0 317.341 1.566 20 0 DDADRL CC[C@@H](C(=O)[O-])N(C)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000663119819 484684007 /nfs/dbraw/zinc/68/40/07/484684007.db2.gz PHQQKKVEYROMBL-NSHDSACASA-N -2 0 321.308 1.652 20 0 DDADRL Cc1nc([N-]S(=O)(=O)c2csnc2C(=O)[O-])sc1C ZINC000833002578 601767797 /nfs/dbraw/zinc/76/77/97/601767797.db2.gz CJGNEEKBTDATAQ-UHFFFAOYSA-N -2 0 319.389 1.715 20 0 DDADRL CC(C)C[C@H](NC(=O)c1nnc2ccccc2c1O)C(=O)[O-] ZINC000236640448 597106078 /nfs/dbraw/zinc/10/60/78/597106078.db2.gz DQNOXTCBQXZYFH-NSHDSACASA-N -2 0 303.318 1.152 20 0 DDADRL CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000314228374 599735702 /nfs/dbraw/zinc/73/57/02/599735702.db2.gz CQDVKLPQLQANMI-UHFFFAOYSA-N -2 0 324.314 1.138 20 0 DDADRL CC1(C)CC(=O)C(C(=O)Nc2ccccc2C(=O)[O-])=C([O-])C1 ZINC000736727445 599801037 /nfs/dbraw/zinc/80/10/37/599801037.db2.gz WKGWGBNWRMLMDK-UHFFFAOYSA-N -2 0 303.314 1.898 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cn1C ZINC000388159837 599852514 /nfs/dbraw/zinc/85/25/14/599852514.db2.gz IGQVEBNHSGIQRV-UHFFFAOYSA-N -2 0 323.374 1.547 20 0 DDADRL CC(C)CCS(=O)(=O)[N-]C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736436936 600422590 /nfs/dbraw/zinc/42/25/90/600422590.db2.gz YYXGMPDKKDYHGX-UHFFFAOYSA-N -2 0 314.363 1.882 20 0 DDADRL CCOc1cccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1 ZINC000737210867 600461095 /nfs/dbraw/zinc/46/10/95/600461095.db2.gz MKCCKDCQECNOTF-UHFFFAOYSA-N -2 0 315.347 1.010 20 0 DDADRL CC(C)c1ccsc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736522994 600463840 /nfs/dbraw/zinc/46/38/40/600463840.db2.gz MMACHDQQIMWROV-UHFFFAOYSA-N -2 0 319.404 1.796 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(Cl)cc1F ZINC000739692597 600465977 /nfs/dbraw/zinc/46/59/77/600465977.db2.gz SGHDXVNIVXNHMQ-UHFFFAOYSA-N -2 0 323.729 1.404 20 0 DDADRL Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccn1 ZINC000316308394 600576090 /nfs/dbraw/zinc/57/60/90/600576090.db2.gz WXSNAMFHCOHUFI-UHFFFAOYSA-N -2 0 317.326 1.761 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2ncccc2C)cc1C(=O)[O-] ZINC000387068264 600658876 /nfs/dbraw/zinc/65/88/76/600658876.db2.gz QGCARHKWJDGCID-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL CCc1cccc(C)c1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000314269656 600673360 /nfs/dbraw/zinc/67/33/60/600673360.db2.gz UKOIBPYFAFQASI-UHFFFAOYSA-N -2 0 323.374 1.639 20 0 DDADRL CCc1nc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)sc1C ZINC000049158653 600976306 /nfs/dbraw/zinc/97/63/06/600976306.db2.gz HNYPGQSJSFLJMC-UHFFFAOYSA-N -2 0 315.376 1.841 20 0 DDADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cnoc1 ZINC000831949788 601204270 /nfs/dbraw/zinc/20/42/70/601204270.db2.gz FTGHSGFKOBABGE-UHFFFAOYSA-N -2 0 304.305 1.244 20 0 DDADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000832265533 601362968 /nfs/dbraw/zinc/36/29/68/601362968.db2.gz PEXRVGXUGMTDSL-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL C[C@H]1CC/C(=C\C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000828200475 601546266 /nfs/dbraw/zinc/54/62/66/601546266.db2.gz GMRQTCFSKSDTMX-NGPGYTDTSA-N -2 0 323.370 1.936 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000738620891 601948942 /nfs/dbraw/zinc/94/89/42/601948942.db2.gz AHOWJHHSFJWZSI-CHWSQXEVSA-N -2 0 303.314 1.919 20 0 DDADRL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-])c1 ZINC000832888071 602198811 /nfs/dbraw/zinc/19/88/11/602198811.db2.gz ORNWZWHLMOLZRN-MRVPVSSYSA-N -2 0 303.311 1.050 20 0 DDADRL CN(C[C@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)C1)C(=O)[O-] ZINC000739665664 602540018 /nfs/dbraw/zinc/54/00/18/602540018.db2.gz MVMHIPPVPBHCKN-SECBINFHSA-N -2 0 322.390 1.829 20 0 DDADRL CCN(CC[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000739435038 602552582 /nfs/dbraw/zinc/55/25/82/602552582.db2.gz XVSHNVDSXKKQTO-UHFFFAOYSA-N -2 0 308.306 1.243 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000826576672 603447851 /nfs/dbraw/zinc/44/78/51/603447851.db2.gz XWWZVRBOHCIWCG-NXEZZACHSA-N -2 0 320.411 1.447 20 0 DDADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)s1 ZINC000833755046 605165340 /nfs/dbraw/zinc/16/53/40/605165340.db2.gz XDOJAHINUWGAOS-UHFFFAOYSA-N -2 0 313.360 1.654 20 0 DDADRL C[C@@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000825874030 605283421 /nfs/dbraw/zinc/28/34/21/605283421.db2.gz YOKSKRHLIXFSMQ-VWYCJHECSA-N -2 0 318.395 1.011 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000834174971 605308117 /nfs/dbraw/zinc/30/81/17/605308117.db2.gz YLKBCIXCPXYFEW-CHWSQXEVSA-N -2 0 320.345 1.480 20 0 DDADRL O=C([O-])Cc1csc(NC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])n1 ZINC000834069089 606027942 /nfs/dbraw/zinc/02/79/42/606027942.db2.gz PFXYYUAKWNLSEB-JGVFFNPUSA-N -2 0 313.335 1.145 20 0 DDADRL O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000834283952 606035263 /nfs/dbraw/zinc/03/52/63/606035263.db2.gz ZQFXYCIJYITIMF-LBPRGKRZSA-N -2 0 318.329 1.664 20 0 DDADRL O=C([O-])c1cc(NC(=O)[C@@H]2CCCCN2C(=O)[O-])ccc1F ZINC000834283721 606056673 /nfs/dbraw/zinc/05/66/73/606056673.db2.gz UWOJDPJFOXSUGS-NSHDSACASA-N -2 0 310.281 1.995 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)C2CCN(C(=O)[O-])CC2)c1 ZINC000834283507 606057622 /nfs/dbraw/zinc/05/76/22/606057622.db2.gz PZJRMJCJQDDEFA-UHFFFAOYSA-N -2 0 306.318 1.391 20 0 DDADRL O=C([O-])CCSCc1cccc(NC(=O)CNC(=O)[O-])c1 ZINC000834059138 606060763 /nfs/dbraw/zinc/06/07/63/606060763.db2.gz GYOJOZLZUQKVBG-UHFFFAOYSA-N -2 0 312.347 1.601 20 0 DDADRL O=C([O-])C[C@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2)CCO1 ZINC000834061474 606061824 /nfs/dbraw/zinc/06/18/24/606061824.db2.gz VHQPBWGCYDCUGB-NSHDSACASA-N -2 0 308.290 1.092 20 0 DDADRL O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)Cc2ccccc21 ZINC000834061440 606112786 /nfs/dbraw/zinc/11/27/86/606112786.db2.gz UKFMBRLOUUSRAW-YPMHNXCESA-N -2 0 318.329 1.197 20 0 DDADRL O=C([O-])[C@H]1CN(C(=O)CC2CN(C(=O)[O-])C2)Cc2ccccc21 ZINC000834060088 606112821 /nfs/dbraw/zinc/11/28/21/606112821.db2.gz GALYIKSTOQTNIG-ZDUSSCGKSA-N -2 0 318.329 1.197 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)[C@H]2CCCCN2C(=O)[O-])CC1 ZINC000834058356 606113421 /nfs/dbraw/zinc/11/34/21/606113421.db2.gz BXXHRGKLDJYFHY-GFCCVEGCSA-N -2 0 312.366 1.622 20 0 DDADRL O=C([O-])c1cccc(CCNC(=O)[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000834283391 606113901 /nfs/dbraw/zinc/11/39/01/606113901.db2.gz OFERTJOKOBLGAL-LBPRGKRZSA-N -2 0 306.318 1.043 20 0 DDADRL CC(C)OCCS(=O)(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000313322086 698682265 /nfs/dbraw/zinc/68/22/65/698682265.db2.gz PWQRGDNFRQZGCW-UHFFFAOYSA-N -2 0 323.317 1.830 20 0 DDADRL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)C(F)(F)F ZINC000389275086 699088547 /nfs/dbraw/zinc/08/85/47/699088547.db2.gz OBCMUUUKAAYFCH-SCSAIBSYSA-N -2 0 303.283 1.675 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)cc1F ZINC000790005507 699432238 /nfs/dbraw/zinc/43/22/38/699432238.db2.gz MMYXIQPNIKPQEC-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)/C=C\c1ccccc1F ZINC000739696050 699777662 /nfs/dbraw/zinc/77/76/62/699777662.db2.gz YAEDQUPDZLQCMV-FPLPWBNLSA-N -2 0 315.322 1.150 20 0 DDADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H](C)CC(=O)[O-])n1 ZINC000842697582 702758636 /nfs/dbraw/zinc/75/86/36/702758636.db2.gz YTSGEMVFJULWRR-SNVBAGLBSA-N -2 0 317.345 1.733 20 0 DDADRL CC(=O)[N-]S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC000844205686 702991685 /nfs/dbraw/zinc/99/16/85/702991685.db2.gz RJLVAUCJEBBJDR-UHFFFAOYSA-N -2 0 319.338 1.877 20 0 DDADRL CCc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)c1 ZINC000821089647 704370732 /nfs/dbraw/zinc/37/07/32/704370732.db2.gz LRMQLUSGMMXSKD-UHFFFAOYSA-N -2 0 309.347 1.482 20 0 DDADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000863952273 706044809 /nfs/dbraw/zinc/04/48/09/706044809.db2.gz QMOKUOTWDAVCTD-SNVBAGLBSA-N -2 0 317.338 1.378 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCC1 ZINC000863954372 706045716 /nfs/dbraw/zinc/04/57/16/706045716.db2.gz AMMUBWXBHTXWBK-UHFFFAOYSA-N -2 0 305.396 1.514 20 0 DDADRL Cc1ncc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C)s1 ZINC000863959770 706046670 /nfs/dbraw/zinc/04/66/70/706046670.db2.gz BRWKOUCXMQGDJF-QMMMGPOBSA-N -2 0 320.392 1.003 20 0 DDADRL Cc1ccccc1CS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000863960708 706047005 /nfs/dbraw/zinc/04/70/05/706047005.db2.gz ABIZDYSCPRJTJI-LBPRGKRZSA-N -2 0 311.359 1.052 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)CCC1CCCC1 ZINC000863963224 706047442 /nfs/dbraw/zinc/04/74/42/706047442.db2.gz PGGMAQJOAXLQCC-LLVKDONJSA-N -2 0 305.396 1.370 20 0 DDADRL C[C@H]1CCN(C(=O)NCc2ccc(O)c(F)c2)[C@@H](C(=O)[O-])C1 ZINC000909050101 712926027 /nfs/dbraw/zinc/92/60/27/712926027.db2.gz WZGCFMKCIXPHLO-JOYOIKCWSA-N -2 0 310.325 1.926 20 0 DDADRL COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc([O-])c(Cl)c1 ZINC000909376284 713003423 /nfs/dbraw/zinc/00/34/23/713003423.db2.gz JTJQMSGNJMGCAY-ZDUSSCGKSA-N -2 0 301.726 1.655 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1ccccc1F ZINC000910186024 709801886 /nfs/dbraw/zinc/80/18/86/709801886.db2.gz MEOPZQPVQRVESU-WCQYABFASA-N -2 0 323.320 1.535 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)C2CCC(C3CC3)CC2)C1 ZINC000910185450 709802058 /nfs/dbraw/zinc/80/20/58/709802058.db2.gz ZRVQDZUOQPZCPV-NWINJMCUSA-N -2 0 323.389 1.979 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CCc2ccsc2)C1 ZINC000910187169 709803021 /nfs/dbraw/zinc/80/30/21/709803021.db2.gz BJDSBOFLFMTFRZ-GHMZBOCLSA-N -2 0 311.359 1.457 20 0 DDADRL Cc1ccc(C)c(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910191294 709805299 /nfs/dbraw/zinc/80/52/99/709805299.db2.gz ZVJBPTYOYMHKQG-JSGCOSHPSA-N -2 0 319.357 1.622 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)cc1 ZINC000910385372 709918136 /nfs/dbraw/zinc/91/81/36/709918136.db2.gz JLZZCCJHCJOGJM-UZGDPCLZSA-N -2 0 313.361 1.304 20 0 DDADRL C[C@@H]1CCN(C(=O)Cc2ccccc2C(=O)[O-])C[C@H]1C(=O)[O-] ZINC000901696037 710121772 /nfs/dbraw/zinc/12/17/72/710121772.db2.gz MHWAZUKRLMRRPD-ZWNOBZJWSA-N -2 0 305.330 1.497 20 0 DDADRL O=C([O-])CN(C1CC1)S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000906787211 712411638 /nfs/dbraw/zinc/41/16/38/712411638.db2.gz AIWWNELNTJMMJU-UHFFFAOYSA-N -2 0 305.739 1.283 20 0 DDADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCC23CCCC3)c1 ZINC000907025345 712468096 /nfs/dbraw/zinc/46/80/96/712468096.db2.gz UXNBWVFCXWRKSA-UHFFFAOYSA-N -2 0 311.359 1.798 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000907732144 712619843 /nfs/dbraw/zinc/61/98/43/712619843.db2.gz SMAPSRDGJXEBJX-OFTGVCEQSA-N -2 0 309.362 1.589 20 0 DDADRL CC(C)[C@H](C)NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189913857 745029484 /nfs/dbraw/zinc/02/94/84/745029484.db2.gz FEXKNJCTVIUJRW-QMMMGPOBSA-N -2 0 315.347 1.406 20 0 DDADRL CO[C@H](C)C1CN(C(=O)c2ccccc2OP(=O)([O-])[O-])C1 ZINC001189888387 745042616 /nfs/dbraw/zinc/04/26/16/745042616.db2.gz YROWYMDLNNRYLD-SECBINFHSA-N -2 0 315.262 1.265 20 0 DDADRL COc1nc(NCCOP(=O)([O-])[O-])nc2ccsc21 ZINC001168587038 751181905 /nfs/dbraw/zinc/18/19/05/751181905.db2.gz NTATXFJRSKZGPF-UHFFFAOYSA-N -2 0 305.252 1.221 20 0 DDADRL CCn1c(C)cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1C ZINC000825117614 759223146 /nfs/dbraw/zinc/22/31/46/759223146.db2.gz RIZDZCJRWIHGQL-DGCLKSJQSA-N -2 0 322.361 1.515 20 0 DDADRL Cc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(Cl)c1 ZINC001225344624 840518976 /nfs/dbraw/zinc/51/89/76/840518976.db2.gz KGSKSZLLBGFSOG-MRVPVSSYSA-N -2 0 310.626 1.024 20 0 DDADRL CN(Cc1n[n-]c(=O)o1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC001363741557 842632124 /nfs/dbraw/zinc/63/21/24/842632124.db2.gz YGRCWBIFXODILL-UHFFFAOYSA-N -2 0 301.661 1.546 20 0 DDADRL O=P([O-])([O-])OCCNc1csc2ncnc(Cl)c12 ZINC001157787318 864139870 /nfs/dbraw/zinc/13/98/70/864139870.db2.gz HDXPMNOCYWZYSO-UHFFFAOYSA-N -2 0 309.671 1.866 20 0 DDADRL CC(C)c1cccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001225239961 881736997 /nfs/dbraw/zinc/73/69/97/881736997.db2.gz MQVCHKFLFRULKK-DGCLKSJQSA-N -2 0 310.302 1.252 20 0 DDADRL CC[C@H](OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1ccccc1 ZINC001223704210 881067478 /nfs/dbraw/zinc/06/74/78/881067478.db2.gz FDODHUYJZCDMKP-NTZNESFSSA-N -2 0 310.302 1.217 20 0 DDADRL CC(C)(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1ccccc1 ZINC001223956926 881163231 /nfs/dbraw/zinc/16/32/31/881163231.db2.gz WRIBVFPRKOEDLH-JQWIXIFHSA-N -2 0 310.302 1.001 20 0 DDADRL O=C(NCc1nc([O-])cc(=O)[nH]1)c1cc(F)c([O-])c(Cl)c1 ZINC001363042536 885307366 /nfs/dbraw/zinc/30/73/66/885307366.db2.gz XVCRKHGZLJWVQQ-UHFFFAOYSA-N -2 0 313.672 1.316 20 0 DDADRL CCN(C)c1ccnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242159324 891354689 /nfs/dbraw/zinc/35/46/89/891354689.db2.gz HTFPIMMUSFRBJV-UHFFFAOYSA-N -2 0 301.302 1.996 20 0 DDADRL COC(=O)CS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1[O-] ZINC001259025148 898425238 /nfs/dbraw/zinc/42/52/38/898425238.db2.gz QWMKIYQSAJPKHF-UHFFFAOYSA-N -2 0 314.146 1.614 20 0 DDADRL O=c1cc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)o[n-]1 ZINC001260356129 899126599 /nfs/dbraw/zinc/12/65/99/899126599.db2.gz GUVWGURSHBEYNJ-UHFFFAOYSA-N -2 0 308.237 1.276 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c1 ZINC000092890016 185347909 /nfs/dbraw/zinc/34/79/09/185347909.db2.gz WFZKCABCYNBLQV-UHFFFAOYSA-N -2 0 311.319 1.108 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c1 ZINC000092890240 185348308 /nfs/dbraw/zinc/34/83/08/185348308.db2.gz RIWQCZNRGWOEAW-UHFFFAOYSA-N -2 0 309.347 1.331 20 0 DDADRL CC(C)C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000094702985 193392267 /nfs/dbraw/zinc/39/22/67/193392267.db2.gz GQYQYQFELRYIBE-SECBINFHSA-N -2 0 321.345 1.990 20 0 DDADRL C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000062912976 184259192 /nfs/dbraw/zinc/25/91/92/184259192.db2.gz DHMIKHXJJAYUGX-CYBMUJFWSA-N -2 0 303.236 1.746 20 0 DDADRL CCc1ccc(S(=O)(=O)[N-]c2cnn(C)c2)cc1C(=O)[O-] ZINC000152942696 407719617 /nfs/dbraw/zinc/71/96/17/407719617.db2.gz GCDZFKWRSUBNLS-UHFFFAOYSA-N -2 0 309.347 1.482 20 0 DDADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000263385325 408124182 /nfs/dbraw/zinc/12/41/82/408124182.db2.gz YALUIGZYIRGPNU-GXFFZTMASA-N -2 0 320.345 1.637 20 0 DDADRL CCCN(CC(=O)[O-])C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000184886429 408710192 /nfs/dbraw/zinc/71/01/92/408710192.db2.gz OLCHGROAUIYZPJ-UHFFFAOYSA-N -2 0 317.345 1.411 20 0 DDADRL CN(CC(=O)[O-])S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000263553598 163983457 /nfs/dbraw/zinc/98/34/57/163983457.db2.gz MSJGQIFWVPUOFV-UHFFFAOYSA-N -2 0 313.253 1.116 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C)c1C ZINC000362429309 418754473 /nfs/dbraw/zinc/75/44/73/418754473.db2.gz IFQDKAGPYRVZKH-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cnc(C)nc2)c1 ZINC000436765384 420365156 /nfs/dbraw/zinc/36/51/56/420365156.db2.gz AZCOZUIVYDKZIX-UHFFFAOYSA-N -2 0 323.330 1.298 20 0 DDADRL CCc1ccccc1-n1cc([O-])c(C(=O)N=c2[n-]c(C)no2)n1 ZINC000438983433 420474997 /nfs/dbraw/zinc/47/49/97/420474997.db2.gz BUPHRTDEDUEROQ-UHFFFAOYSA-N -2 0 313.317 1.506 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CC1CCCC1)C(=O)[O-] ZINC000548541138 421449206 /nfs/dbraw/zinc/44/92/06/421449206.db2.gz WZCFLHUEKYIQTK-CBAPKCEASA-N -2 0 317.329 1.890 20 0 DDADRL O=C([O-])c1cccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC000516926741 421579447 /nfs/dbraw/zinc/57/94/47/421579447.db2.gz JKJZPMDYLDVZNO-NSHDSACASA-N -2 0 316.317 1.228 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=NCC2(C(=O)[O-])CCCC2)cc1 ZINC000649402060 423861258 /nfs/dbraw/zinc/86/12/58/423861258.db2.gz JQMLNCSJHYCLFQ-UHFFFAOYSA-N -2 0 301.350 1.450 20 0 DDADRL O=C([O-])COc1cccc(C(=O)N(CC(=O)[O-])CC2CC2)c1 ZINC000659764832 424232436 /nfs/dbraw/zinc/23/24/36/424232436.db2.gz SGOLVQAHALJKFA-UHFFFAOYSA-N -2 0 307.302 1.087 20 0 DDADRL O=C([O-])[C@@H](CNC(=O)NC[C@H](C(=O)[O-])C1CCC1)C1CCC1 ZINC000665317046 424781664 /nfs/dbraw/zinc/78/16/64/424781664.db2.gz TZSSYMNPRDUZBZ-RYUDHWBXSA-N -2 0 312.366 1.287 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])cn1C ZINC000356498211 298807483 /nfs/dbraw/zinc/80/74/83/298807483.db2.gz PFPULBUOORGNCT-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL CCn1cn[n-]c1=NC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000356209968 306843600 /nfs/dbraw/zinc/84/36/00/306843600.db2.gz OSYACQASFSHHDS-UHFFFAOYSA-N -2 0 316.296 1.003 20 0 DDADRL CC(C)CCS(=O)(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000561815896 307929187 /nfs/dbraw/zinc/92/91/87/307929187.db2.gz ADCWBHNIWYOIRS-UHFFFAOYSA-N -2 0 315.347 1.871 20 0 DDADRL C[C@@H](NC(=O)[C@@]1(C(=O)[O-])CC1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000663122028 484685861 /nfs/dbraw/zinc/68/58/61/484685861.db2.gz XHYAAQDGMMSXPP-MQPMOYQSSA-N -2 0 311.378 1.739 20 0 DDADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000663132023 484693386 /nfs/dbraw/zinc/69/33/86/484693386.db2.gz IGVAMRIFZRXCCH-CHWSQXEVSA-N -2 0 319.357 1.944 20 0 DDADRL Cc1cn(C)nc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000663267056 484774178 /nfs/dbraw/zinc/77/41/78/484774178.db2.gz WXEAJXHJHANHQG-UHFFFAOYSA-N -2 0 323.374 1.547 20 0 DDADRL CC(C)C[C@@H](CNC(=O)N=c1ccc(C2CC2)n[n-]1)C(=O)[O-] ZINC000424385313 528321928 /nfs/dbraw/zinc/32/19/28/528321928.db2.gz TWDCDMCBGDPQSP-NSHDSACASA-N -2 0 306.366 1.644 20 0 DDADRL Cc1ccccc1S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-] ZINC000738786073 599797076 /nfs/dbraw/zinc/79/70/76/599797076.db2.gz RPWOYZQGGABYGX-UHFFFAOYSA-N -2 0 317.388 1.008 20 0 DDADRL Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@H](NC(=O)[O-])C(C)C ZINC000738784229 599884254 /nfs/dbraw/zinc/88/42/54/599884254.db2.gz BHQANIXNUPZARA-LLVKDONJSA-N -2 0 314.363 1.092 20 0 DDADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(OCC(=O)[O-])cc2)NC(=O)N1C ZINC000736751059 599983987 /nfs/dbraw/zinc/98/39/87/599983987.db2.gz OIRKDBLFQTXKPJ-CYBMUJFWSA-N -2 0 320.301 1.205 20 0 DDADRL CCn1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000737311578 600054404 /nfs/dbraw/zinc/05/44/04/600054404.db2.gz AVQODBPAKHWPLO-UHFFFAOYSA-N -2 0 301.349 1.464 20 0 DDADRL Cc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)nc1 ZINC000035296004 600243749 /nfs/dbraw/zinc/24/37/49/600243749.db2.gz MLZSWUKGSKZLRZ-UHFFFAOYSA-N -2 0 306.343 1.818 20 0 DDADRL CC(C)c1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1 ZINC000736512781 600462089 /nfs/dbraw/zinc/46/20/89/600462089.db2.gz MXTQJYRXGJUQSL-UHFFFAOYSA-N -2 0 313.375 1.734 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n(C)n1 ZINC000830224491 600982712 /nfs/dbraw/zinc/98/27/12/600982712.db2.gz OQSREOLXXWLCQK-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)c1 ZINC000830429654 601358886 /nfs/dbraw/zinc/35/88/86/601358886.db2.gz GURNGJVNURXWAE-UHFFFAOYSA-N -2 0 316.364 1.167 20 0 DDADRL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)C1CC1 ZINC000137195612 601573303 /nfs/dbraw/zinc/57/33/03/601573303.db2.gz DGAJNLFTSFERBW-SNVBAGLBSA-N -2 0 305.302 1.496 20 0 DDADRL CC(C)(CNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)[O-] ZINC000826606939 601819694 /nfs/dbraw/zinc/81/96/94/601819694.db2.gz AGERFEPEXQQVEJ-UHFFFAOYSA-N -2 0 321.308 1.558 20 0 DDADRL O=C([O-])NC1CCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000740596808 602376829 /nfs/dbraw/zinc/37/68/29/602376829.db2.gz PIWIUQLYGCTRAX-UHFFFAOYSA-N -2 0 308.363 1.629 20 0 DDADRL C[C@H]1CN(C(=O)[O-])CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000739151758 602739384 /nfs/dbraw/zinc/73/93/84/602739384.db2.gz AHVGGEWMWPAJAY-QMMMGPOBSA-N -2 0 308.363 1.581 20 0 DDADRL CCN(CC(=O)[N-]S(=O)(=O)/C=C/c1ccccc1)C(=O)[O-] ZINC000739394918 602865233 /nfs/dbraw/zinc/86/52/33/602865233.db2.gz HFSWRTVYQQJRBO-CMDGGOBGSA-N -2 0 312.347 1.103 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000737788484 602997510 /nfs/dbraw/zinc/99/75/10/602997510.db2.gz WLRBFNTWTYWAQW-VIFPVBQESA-N -2 0 306.384 1.011 20 0 DDADRL C[C@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1 ZINC000825449760 603400402 /nfs/dbraw/zinc/40/04/02/603400402.db2.gz YLEKIMUZBJHUCQ-QMMMGPOBSA-N -2 0 310.335 1.539 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CCNC(=O)[O-])cc1Cl ZINC000830414094 603437975 /nfs/dbraw/zinc/43/79/75/603437975.db2.gz HIDYPVXCJJEBDV-UHFFFAOYSA-N -2 0 320.754 1.111 20 0 DDADRL C[C@H]1CN(C(=O)c2c([O-])cc(F)cc2F)CCN1C(=O)[O-] ZINC000826034261 603876021 /nfs/dbraw/zinc/87/60/21/603876021.db2.gz HJGJSTCSXOOLGD-ZETCQYMHSA-N -2 0 300.261 1.495 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)C2CCCC2)C1 ZINC000832323609 604126182 /nfs/dbraw/zinc/12/61/82/604126182.db2.gz FLXSYAPOQAYCOF-VHSXEESVSA-N -2 0 318.395 1.201 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])nc1C ZINC000050265468 604509044 /nfs/dbraw/zinc/50/90/44/604509044.db2.gz SVYRQGKIODCOQN-UHFFFAOYSA-N -2 0 315.376 1.772 20 0 DDADRL CCn1cc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cn1 ZINC000833682315 604745644 /nfs/dbraw/zinc/74/56/44/604745644.db2.gz POFGYARHVHADIQ-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL CC(C)Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)[nH]n1 ZINC000833491129 605183180 /nfs/dbraw/zinc/18/31/80/605183180.db2.gz FXKXZHNAGHWANQ-UHFFFAOYSA-N -2 0 313.335 1.700 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)C[C@@H]2CCCN2C(=O)[O-])C1 ZINC000834060037 605308912 /nfs/dbraw/zinc/30/89/12/605308912.db2.gz MYVCPUIPAJCQBP-RYUDHWBXSA-N -2 0 312.366 1.622 20 0 DDADRL O=C([O-])CC[C@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000834060632 605310457 /nfs/dbraw/zinc/31/04/57/605310457.db2.gz TZNURFYVHBLKTD-VXGBXAGGSA-N -2 0 312.366 1.480 20 0 DDADRL CC(C)(C)n1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000833452169 605343427 /nfs/dbraw/zinc/34/34/27/605343427.db2.gz OSTTVRBMQXWUHH-UHFFFAOYSA-N -2 0 324.362 1.532 20 0 DDADRL O=C([O-])C[C@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)C1CC1 ZINC000834060157 606054142 /nfs/dbraw/zinc/05/41/42/606054142.db2.gz GNLMKMKXACIOFW-LBPRGKRZSA-N -2 0 306.318 1.437 20 0 DDADRL Cc1oc(CN(C)C(=O)C[C@H]2CCCN2C(=O)[O-])cc1C(=O)[O-] ZINC000833934253 606055425 /nfs/dbraw/zinc/05/54/25/606055425.db2.gz DIOFYGFYLNHKRO-SNVBAGLBSA-N -2 0 324.333 1.777 20 0 DDADRL O=C([O-])/C=C\c1ccc(NC(=O)COC2CN(C(=O)[O-])C2)cc1 ZINC000834061595 606056040 /nfs/dbraw/zinc/05/60/40/606056040.db2.gz XEUQYZGOMSQYMS-UTCJRWHESA-N -2 0 320.301 1.102 20 0 DDADRL O=C([O-])COc1cccc(NC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])c1 ZINC000834066625 606056931 /nfs/dbraw/zinc/05/69/31/606056931.db2.gz UISLDEIPZNQQQY-NEPJUHHUSA-N -2 0 322.317 1.525 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000834167111 606056961 /nfs/dbraw/zinc/05/69/61/606056961.db2.gz ADBFUERCVFQZEG-ZYHUDNBSSA-N -2 0 306.318 1.437 20 0 DDADRL O=C([O-])NC1(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)CCCC1 ZINC000834151025 606065946 /nfs/dbraw/zinc/06/59/46/606065946.db2.gz IZXDBTXHRTWFLG-LBPRGKRZSA-N -2 0 320.345 1.551 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)CNC(=O)[O-])cc1Cl ZINC000834066688 606070173 /nfs/dbraw/zinc/07/01/73/606070173.db2.gz VPFFFYKDZHEXAE-UHFFFAOYSA-N -2 0 302.670 1.010 20 0 DDADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)CCC1 ZINC000863951693 706044841 /nfs/dbraw/zinc/04/48/41/706044841.db2.gz ABSTUSKIOINKRD-UHFFFAOYSA-N -2 0 323.779 1.461 20 0 DDADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000863952853 706044927 /nfs/dbraw/zinc/04/49/27/706044927.db2.gz GAOBDLZDBDXHNO-CYBMUJFWSA-N -2 0 315.322 1.132 20 0 DDADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1cccs1)C1CCCC1 ZINC000863952369 706044951 /nfs/dbraw/zinc/04/49/51/706044951.db2.gz UIUWQPQLSZWLOT-SNVBAGLBSA-N -2 0 317.388 1.444 20 0 DDADRL CCCCS(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000863953577 706045332 /nfs/dbraw/zinc/04/53/32/706045332.db2.gz XRQFXJSGFNVIOP-UHFFFAOYSA-N -2 0 315.347 1.010 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC2CCCCC2)C1 ZINC000863954305 706045442 /nfs/dbraw/zinc/04/54/42/706045442.db2.gz VOHQYQWWCIVULB-NWDGAFQWSA-N -2 0 317.407 1.514 20 0 DDADRL CCCc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])cc1 ZINC000863953639 706045494 /nfs/dbraw/zinc/04/54/94/706045494.db2.gz YRSOYTWIECJWTP-UHFFFAOYSA-N -2 0 313.375 1.555 20 0 DDADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000863954403 706045765 /nfs/dbraw/zinc/04/57/65/706045765.db2.gz XPXZNVBRYCGMTR-LLVKDONJSA-N -2 0 319.423 1.760 20 0 DDADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC=CC1 ZINC000863955503 706046303 /nfs/dbraw/zinc/04/63/03/706046303.db2.gz NTCRCDBZLMIJDT-LLVKDONJSA-N -2 0 323.370 1.615 20 0 DDADRL CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCC(=O)[O-] ZINC000863962778 706047304 /nfs/dbraw/zinc/04/73/04/706047304.db2.gz XIIVJEZPCFRZOT-AWEZNQCLSA-N -2 0 313.375 1.695 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2CCCC2)C1 ZINC000910185159 709801678 /nfs/dbraw/zinc/80/16/78/709801678.db2.gz UWUUBBYXYGNWHA-YVECIDJPSA-N -2 0 309.362 1.589 20 0 DDADRL Cc1ccc(C)c(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910185709 709802024 /nfs/dbraw/zinc/80/20/24/709802024.db2.gz KBQHQCUFDSIGPO-WCQYABFASA-N -2 0 305.330 1.693 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCc2ccccc2F)C1 ZINC000910186025 709802661 /nfs/dbraw/zinc/80/26/61/709802661.db2.gz MEOPZQPVQRVESU-YPMHNXCESA-N -2 0 323.320 1.535 20 0 DDADRL CSc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC000910188568 709803708 /nfs/dbraw/zinc/80/37/08/709803708.db2.gz LZEOOGPXOGHXOM-JQWIXIFHSA-N -2 0 323.370 1.799 20 0 DDADRL CCCCS[C@H](C)C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910189848 709804740 /nfs/dbraw/zinc/80/47/40/709804740.db2.gz VJPJEKHUHSBREN-MXWKQRLJSA-N -2 0 317.407 1.685 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)CCC3)C1 ZINC000910190619 709805240 /nfs/dbraw/zinc/80/52/40/709805240.db2.gz AOGFBIJEEHYYLZ-KGLIPLIRSA-N -2 0 317.341 1.565 20 0 DDADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000906000466 712216736 /nfs/dbraw/zinc/21/67/36/712216736.db2.gz ZHDUFVOZAGPYDB-UWVGGRQHSA-N -2 0 323.292 1.321 20 0 DDADRL C[C@@H](C[N-]S(=O)(=O)c1occc1Br)C(=O)[O-] ZINC000926454479 715069357 /nfs/dbraw/zinc/06/93/57/715069357.db2.gz ZEOKXHCZODWPPA-YFKPBYRVSA-N -2 0 312.141 1.041 20 0 DDADRL CCC(CC)(C(=O)NCCOP(=O)([O-])[O-])c1ccccc1 ZINC001181158345 743090350 /nfs/dbraw/zinc/09/03/50/743090350.db2.gz CIXBQUGISJWKMH-UHFFFAOYSA-N -2 0 315.306 1.970 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2nnccc2C)cc1C(=O)[O-] ZINC001185276247 744195928 /nfs/dbraw/zinc/19/59/28/744195928.db2.gz WXTFSAZATRKZSK-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncc(O)cc1C ZINC001185871780 744297108 /nfs/dbraw/zinc/29/71/08/744297108.db2.gz ZEXZRMZJYBEYII-UHFFFAOYSA-N -2 0 322.342 1.903 20 0 DDADRL Cc1cnc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1 ZINC001185869279 744303376 /nfs/dbraw/zinc/30/33/76/744303376.db2.gz SJOYVJLSDNLIFP-UHFFFAOYSA-N -2 0 321.358 1.901 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C)c(C)n1 ZINC001185877134 744307009 /nfs/dbraw/zinc/30/70/09/744307009.db2.gz ADPQORTVDRLMRY-UHFFFAOYSA-N -2 0 321.358 1.901 20 0 DDADRL Cc1cncnc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186152366 744351392 /nfs/dbraw/zinc/35/13/92/744351392.db2.gz COLXQKMWKSIMGQ-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL COc1ccc(S(=O)(=O)Nc2ncc(O)cc2Cl)cn1 ZINC001195693376 746679982 /nfs/dbraw/zinc/67/99/82/746679982.db2.gz NTDDCCUFLHJTMF-UHFFFAOYSA-N -2 0 315.738 1.645 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(Cl)cc(-n2cccc2)n1 ZINC001168586265 751177115 /nfs/dbraw/zinc/17/71/15/751177115.db2.gz GWEPSFUEPSTTLE-UHFFFAOYSA-N -2 0 318.657 1.442 20 0 DDADRL Cc1ccccc1-c1ccc(NCCOP(=O)([O-])[O-])nn1 ZINC001168589298 751200617 /nfs/dbraw/zinc/20/06/17/751200617.db2.gz FUVCPAALEKXASO-UHFFFAOYSA-N -2 0 309.262 1.973 20 0 DDADRL O=C(NCCCC[P@@](=O)([O-])O)c1cccc2ncc(O)cc21 ZINC001155052349 861680967 /nfs/dbraw/zinc/68/09/67/861680967.db2.gz VJQFVFHOGLYEJN-UHFFFAOYSA-N -2 0 324.273 1.628 20 0 DDADRL CN(C(=O)c1cc(Br)cc(F)c1[O-])c1nnn[n-]1 ZINC001413326547 856656198 /nfs/dbraw/zinc/65/61/98/856656198.db2.gz LJISWLNBUWGFDD-UHFFFAOYSA-N -2 0 316.090 1.084 20 0 DDADRL CN1CCc2c1cccc2C(=O)NCCCC[P@@](=O)([O-])O ZINC001154157185 860826013 /nfs/dbraw/zinc/82/60/13/860826013.db2.gz VJOMYYLBECNQNE-UHFFFAOYSA-N -2 0 312.306 1.367 20 0 DDADRL O=P([O-])([O-])OCCNc1nnc(Cl)c2cccnc21 ZINC001157791291 864143421 /nfs/dbraw/zinc/14/34/21/864143421.db2.gz LEWGSAIQMKAXSX-UHFFFAOYSA-N -2 0 304.630 1.199 20 0 DDADRL CC(C)(C)NC(=O)c1ccnc(NCCOP(=O)([O-])[O-])c1 ZINC001157792234 864145131 /nfs/dbraw/zinc/14/51/31/864145131.db2.gz YGWJZCZBIHLBEY-UHFFFAOYSA-N -2 0 317.282 1.131 20 0 DDADRL CCCCOC[C@H](C)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21 ZINC001226888331 882705495 /nfs/dbraw/zinc/70/54/95/882705495.db2.gz OVJNSPRLGCHQQG-ZETCQYMHSA-N -2 0 310.310 1.121 20 0 DDADRL Nc1ccc(N)c(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c1 ZINC001215397232 876698046 /nfs/dbraw/zinc/69/80/46/876698046.db2.gz DPMMAWUUEZEVCJ-UHFFFAOYSA-N -2 0 313.360 1.412 20 0 DDADRL O=C([O-])C[C@H](C(=O)Oc1cccc2c1CCCC2)[C@H](O)C(=O)[O-] ZINC001227687277 883131236 /nfs/dbraw/zinc/13/12/36/883131236.db2.gz CQAINIQMHBFZMV-FZMZJTMJSA-N -2 0 322.313 1.007 20 0 DDADRL O=C([O-])C[C@H](C(=O)Oc1ccc2ccsc2c1)[C@@H](O)C(=O)[O-] ZINC001233603770 887143674 /nfs/dbraw/zinc/14/36/74/887143674.db2.gz LYEDTRVHYKXTPL-JOYOIKCWSA-N -2 0 324.310 1.343 20 0 DDADRL O=C([O-])C[C@H](C(=O)Oc1ccc(C2CCC2)cc1)[C@@H](O)C(=O)[O-] ZINC001234300921 887840818 /nfs/dbraw/zinc/84/08/18/887840818.db2.gz PUWLWNIMPFOJAV-GXTWGEPZSA-N -2 0 322.313 1.396 20 0 DDADRL CN(C)C(=O)c1ccc(F)c(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001241987955 891325170 /nfs/dbraw/zinc/32/51/70/891325170.db2.gz ZMKWGCFYKRHVPY-UHFFFAOYSA-N -2 0 323.260 1.998 20 0 DDADRL COC(=O)c1nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cnc1C ZINC001242159788 891353660 /nfs/dbraw/zinc/35/36/60/891353660.db2.gz YZHKCCJZZLWDTH-UHFFFAOYSA-N -2 0 316.269 1.635 20 0 DDADRL CCNC(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nn1 ZINC001242160873 891356671 /nfs/dbraw/zinc/35/66/71/891356671.db2.gz UBBPSYDJJNJBGC-UHFFFAOYSA-N -2 0 315.285 1.290 20 0 DDADRL O=C([O-])c1ccc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)cn1 ZINC001242337055 891395163 /nfs/dbraw/zinc/39/51/63/891395163.db2.gz WMDBMYCWBSAWEB-UHFFFAOYSA-N -2 0 319.298 1.271 20 0 DDADRL O=C([O-])c1cc(-c2nnc(C3CC3)o2)cc(S(=O)(=O)[O-])c1 ZINC001254120196 896263808 /nfs/dbraw/zinc/26/38/08/896263808.db2.gz LEJOHKLBOHBDFV-UHFFFAOYSA-N -2 0 310.287 1.559 20 0 DDADRL COc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ncc1C ZINC001260185020 899078707 /nfs/dbraw/zinc/07/87/07/899078707.db2.gz NMKVZMFFCDYEEQ-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cscn2)c1 ZINC001260209421 899090936 /nfs/dbraw/zinc/09/09/36/899090936.db2.gz DTWOMVFVHZGYAB-UHFFFAOYSA-N -2 0 302.308 1.781 20 0 DDADRL CCc1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cn1 ZINC001260221786 899096190 /nfs/dbraw/zinc/09/61/90/899096190.db2.gz STWYKJADTYFCTP-UHFFFAOYSA-N -2 0 307.331 1.538 20 0 DDADRL Cc1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C)n1 ZINC001260221291 899096472 /nfs/dbraw/zinc/09/64/72/899096472.db2.gz FEKNIHVISPAQPW-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cscn2)ccc1O ZINC001260393145 899135097 /nfs/dbraw/zinc/13/50/97/899135097.db2.gz APQUPYIMZPKKQJ-UHFFFAOYSA-N -2 0 300.317 1.348 20 0 DDADRL C[C@H]1CCC[C@@H](CNS(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000235622430 354332900 /nfs/dbraw/zinc/33/29/00/354332900.db2.gz IINMXECEKADSLP-DTWKUNHWSA-N -2 0 318.420 1.946 20 0 DDADRL O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000334024791 249183225 /nfs/dbraw/zinc/18/32/25/249183225.db2.gz GJWGCKBFFBYBQY-VIFPVBQESA-N -2 0 322.752 1.889 20 0 DDADRL Cc1ncc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cn1 ZINC000360861672 299763015 /nfs/dbraw/zinc/76/30/15/299763015.db2.gz SVPVIDLKUBTJHH-UHFFFAOYSA-N -2 0 307.331 1.213 20 0 DDADRL CC(C)[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000037908944 406995119 /nfs/dbraw/zinc/99/51/19/406995119.db2.gz GNDTVZDFSFEBIV-VIFPVBQESA-N -2 0 311.281 1.491 20 0 DDADRL CS[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000235219434 407717326 /nfs/dbraw/zinc/71/73/26/407717326.db2.gz OMILQKOTTJCJCY-IUCAKERBSA-N -2 0 319.404 1.930 20 0 DDADRL COc1ncccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000315860969 164021014 /nfs/dbraw/zinc/02/10/14/164021014.db2.gz MKUYWXLVPJUHSC-UHFFFAOYSA-N -2 0 322.342 1.518 20 0 DDADRL N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000314625146 409831502 /nfs/dbraw/zinc/83/15/02/409831502.db2.gz XCBAHNBJMVQDAT-UHFFFAOYSA-N -2 0 318.310 1.763 20 0 DDADRL COc1cccc(N=c2[n-]nc(SCc3nnn[n-]3)s2)c1 ZINC000353311380 410915264 /nfs/dbraw/zinc/91/52/64/410915264.db2.gz ZSSRJMNTKRDKMG-UHFFFAOYSA-N -2 0 321.391 1.518 20 0 DDADRL COCc1nc(=NC(=O)c2cc(F)cc(Cl)c2[O-])s[n-]1 ZINC000436845510 420375932 /nfs/dbraw/zinc/37/59/32/420375932.db2.gz TWJWACDIAQJSGB-UHFFFAOYSA-N -2 0 317.729 1.857 20 0 DDADRL C[C@H](CN(C)C(=O)N=c1[n-]nc(-c2ccccc2)s1)C(=O)[O-] ZINC000417733773 420464244 /nfs/dbraw/zinc/46/42/44/420464244.db2.gz QPVOVWATVHTEHB-SECBINFHSA-N -2 0 320.374 1.811 20 0 DDADRL CCn1cncc1S(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000547541909 421342671 /nfs/dbraw/zinc/34/26/71/421342671.db2.gz KYYMCHIHOMPKIM-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL CCn1cncc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000548521593 421447724 /nfs/dbraw/zinc/44/77/24/421447724.db2.gz RQVLARBMTSDMPB-UHFFFAOYSA-N -2 0 309.347 1.331 20 0 DDADRL CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000653287426 423422384 /nfs/dbraw/zinc/42/23/84/423422384.db2.gz VDDVPPVAJWBBAW-UHFFFAOYSA-N -2 0 319.321 1.197 20 0 DDADRL CC(C)(CCNC(=O)N1CCC(CCC(=O)[O-])CC1)C(=O)[O-] ZINC000659409086 423809058 /nfs/dbraw/zinc/80/90/58/423809058.db2.gz YNQAFNLQWUFBRG-UHFFFAOYSA-N -2 0 314.382 1.774 20 0 DDADRL CCC(CC)(CNC(=O)NCC1(C(=O)[O-])CCC1)C(=O)[O-] ZINC000659409957 423813910 /nfs/dbraw/zinc/81/39/10/423813910.db2.gz VUTXRUJBXNKWHH-UHFFFAOYSA-N -2 0 300.355 1.432 20 0 DDADRL C[C@](CNC(=O)N1CC[C@@H](C(=O)[O-])C1)(C(=O)[O-])c1ccccc1 ZINC000652116296 423874780 /nfs/dbraw/zinc/87/47/80/423874780.db2.gz QSTMJHRGFMEBCG-BDJLRTHQSA-N -2 0 320.345 1.145 20 0 DDADRL CC(C)[C@@H](CNC(=O)c1cccc(OCC(=O)[O-])c1)C(=O)[O-] ZINC000659768329 424238365 /nfs/dbraw/zinc/23/83/65/424238365.db2.gz XDUKORSOUCTKEY-GFCCVEGCSA-N -2 0 309.318 1.237 20 0 DDADRL CC(C)(CCNC(=O)NC[C@H](C(=O)[O-])C1CCC1)C(=O)[O-] ZINC000665313325 424780119 /nfs/dbraw/zinc/78/01/19/424780119.db2.gz HKRHJFVFNILIRN-JTQLQIEISA-N -2 0 300.355 1.287 20 0 DDADRL Cn1ccc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)n1 ZINC000347409190 272685577 /nfs/dbraw/zinc/68/55/77/272685577.db2.gz HPIXXIKANRCYFJ-UHFFFAOYSA-N -2 0 320.330 1.400 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c(C)c1 ZINC000537639839 303377682 /nfs/dbraw/zinc/37/76/82/303377682.db2.gz JYFOYPPOHOYLGR-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cn1 ZINC000547546935 303540605 /nfs/dbraw/zinc/54/06/05/303540605.db2.gz AZUFWFUQKNDIRT-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL C[C@H](C[C@H]1CCCO1)NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000582358393 326017869 /nfs/dbraw/zinc/01/78/69/326017869.db2.gz UTAJLXUKIOPHCS-PSASIEDQSA-N -2 0 319.404 1.682 20 0 DDADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cnc3ccccc3c2O)C1 ZINC000398997525 337313520 /nfs/dbraw/zinc/31/35/20/337313520.db2.gz KXZYFTRLWLOPOD-MNOVXSKESA-N -2 0 314.341 1.711 20 0 DDADRL O=C([O-])[C@H](CCF)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000656162768 483987756 /nfs/dbraw/zinc/98/77/56/483987756.db2.gz IIKMRRWFPJUTOY-LURJTMIESA-N -2 0 315.244 1.195 20 0 DDADRL C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655900409 483992624 /nfs/dbraw/zinc/99/26/24/483992624.db2.gz SLGGJCOJFLVWFB-XWLWVQCSSA-N -2 0 312.366 1.238 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CC1CCC1)C(=O)[O-] ZINC000530367989 484295173 /nfs/dbraw/zinc/29/51/73/484295173.db2.gz FKYRJLHEABVULJ-XPUUQOCRSA-N -2 0 303.302 1.500 20 0 DDADRL O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663025868 484609190 /nfs/dbraw/zinc/60/91/90/484609190.db2.gz LUULNOCPRLSYBD-HIFRSBDPSA-N -2 0 319.357 1.690 20 0 DDADRL C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000663057264 484632771 /nfs/dbraw/zinc/63/27/71/484632771.db2.gz QWAIRYCLHCUCBS-CMPLNLGQSA-N -2 0 321.329 1.475 20 0 DDADRL C[C@@H]1CCN(C(=O)C2(C(=O)[O-])CCCCCC2)C[C@H]1C(=O)[O-] ZINC000663059343 484635084 /nfs/dbraw/zinc/63/50/84/484635084.db2.gz VDWVWXKHVJFQTN-VXGBXAGGSA-N -2 0 311.378 1.981 20 0 DDADRL O=C([O-])[C@H]1C[C@@H](NC(=O)C2(C(=O)[O-])CC=CC2)c2ccccc21 ZINC000663121032 484684940 /nfs/dbraw/zinc/68/49/40/484684940.db2.gz WESNFBPLSNSFJQ-QWHCGFSZSA-N -2 0 315.325 1.837 20 0 DDADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000663134330 484694199 /nfs/dbraw/zinc/69/41/99/484694199.db2.gz ZHVXLAAWMUFNJJ-SJCJKPOMSA-N -2 0 317.341 1.698 20 0 DDADRL Cc1cn(C)nc1[N-]S(=O)(=O)Cc1ccccc1CC(=O)[O-] ZINC000663263809 484771768 /nfs/dbraw/zinc/77/17/68/484771768.db2.gz DMEVEQVXIFQMLV-UHFFFAOYSA-N -2 0 323.374 1.298 20 0 DDADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CSCC(=O)[O-] ZINC000739056735 597108248 /nfs/dbraw/zinc/10/82/48/597108248.db2.gz FTUKUBMNVCSOOU-SECBINFHSA-N -2 0 317.388 1.011 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000821552123 598181601 /nfs/dbraw/zinc/18/16/01/598181601.db2.gz PSSIECOOMUXDPO-QWHCGFSZSA-N -2 0 303.314 1.668 20 0 DDADRL Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738695791 599736161 /nfs/dbraw/zinc/73/61/61/599736161.db2.gz QYNPLJDXJULBAE-UHFFFAOYSA-N -2 0 324.314 1.186 20 0 DDADRL O=C([O-])c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cn1 ZINC000739375333 599864162 /nfs/dbraw/zinc/86/41/62/599864162.db2.gz IWEJNVIORVSWTK-CYBMUJFWSA-N -2 0 314.297 1.206 20 0 DDADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccsc1C(=O)[O-] ZINC000035306623 599873379 /nfs/dbraw/zinc/87/33/79/599873379.db2.gz CULBBBKTMJXJFR-UHFFFAOYSA-N -2 0 315.376 1.597 20 0 DDADRL CN(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccn(C)n2)cc1 ZINC000737336356 600097768 /nfs/dbraw/zinc/09/77/68/600097768.db2.gz QFSCAJSREHOOIZ-UHFFFAOYSA-N -2 0 310.335 1.335 20 0 DDADRL C[C@H](CN(C)C(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC000736576081 600100200 /nfs/dbraw/zinc/10/02/00/600100200.db2.gz TVSBBPQFUHQLNN-SSDOTTSWSA-N -2 0 316.151 1.947 20 0 DDADRL C[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])C(C)(C)C ZINC000736215015 600201806 /nfs/dbraw/zinc/20/18/06/600201806.db2.gz IBHSOZGDAUCQEU-SSDOTTSWSA-N -2 0 319.404 1.933 20 0 DDADRL COCc1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n1 ZINC000737834521 600204092 /nfs/dbraw/zinc/20/40/92/600204092.db2.gz DWPOJUIMKQGKLP-UHFFFAOYSA-N -2 0 318.332 1.382 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cc1C ZINC000315957968 600576228 /nfs/dbraw/zinc/57/62/28/600576228.db2.gz LAZUDPRHUMKPNM-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL COc1cccnc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000832632311 600830090 /nfs/dbraw/zinc/83/00/90/600830090.db2.gz GJHOHIFTUQUPDS-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)nc1 ZINC000832419553 600985737 /nfs/dbraw/zinc/98/57/37/600985737.db2.gz MFOZNUHGRDETDX-UHFFFAOYSA-N -2 0 314.344 1.651 20 0 DDADRL CC(C)c1cccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c1 ZINC000736523415 601046595 /nfs/dbraw/zinc/04/65/95/601046595.db2.gz PBQQVTFLKSEQPT-UHFFFAOYSA-N -2 0 323.374 1.892 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)n(C)n1 ZINC000830224939 601229982 /nfs/dbraw/zinc/22/99/82/601229982.db2.gz YGJWOQRKPSGWMV-UHFFFAOYSA-N -2 0 313.335 1.383 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C2CC2)s1 ZINC000833324549 601364460 /nfs/dbraw/zinc/36/44/60/601364460.db2.gz GOXYVPVYALYGHT-YUMQZZPRSA-N -2 0 315.372 1.297 20 0 DDADRL CCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)s1 ZINC000830335797 601500562 /nfs/dbraw/zinc/50/05/62/601500562.db2.gz YDVJKACURPTHJZ-UHFFFAOYSA-N -2 0 317.348 1.501 20 0 DDADRL CCc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)s1 ZINC000232264089 601501751 /nfs/dbraw/zinc/50/17/51/601501751.db2.gz RZIGYSGTSRVBHZ-UHFFFAOYSA-N -2 0 303.321 1.193 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)C2CC(F)(F)C2)c1 ZINC000833332902 601546734 /nfs/dbraw/zinc/54/67/34/601546734.db2.gz CWVBIEDYAITSDG-UHFFFAOYSA-N -2 0 319.285 1.235 20 0 DDADRL Cc1ccc(-n2[n-]c(C(=O)NCC(C)(C)C(=O)[O-])cc2=O)cc1 ZINC000832910314 601713549 /nfs/dbraw/zinc/71/35/49/601713549.db2.gz ZBSJWQCAQJOYPN-UHFFFAOYSA-N -2 0 317.345 1.315 20 0 DDADRL COCc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)c1 ZINC000831821540 601783187 /nfs/dbraw/zinc/78/31/87/601783187.db2.gz AINFETOCQWRBPU-UHFFFAOYSA-N -2 0 324.358 1.671 20 0 DDADRL O=C([O-])NCCNC(=O)c1cccc(Br)c1[O-] ZINC000740659549 602685256 /nfs/dbraw/zinc/68/52/56/602685256.db2.gz YJQOCPWEIWVFFO-UHFFFAOYSA-N -2 0 303.112 1.152 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)C1CCN(C(=O)[O-])CC1 ZINC000737801348 602728441 /nfs/dbraw/zinc/72/84/41/602728441.db2.gz VDPKTIGPKLACEQ-SNVBAGLBSA-N -2 0 320.411 1.259 20 0 DDADRL CCCS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739372717 602928953 /nfs/dbraw/zinc/92/89/53/602928953.db2.gz IOAMCHXEWYILGD-UHFFFAOYSA-N -2 0 300.336 1.175 20 0 DDADRL CC(C)(C(=O)[N-]OCc1ccccc1)N1CCN(C(=O)[O-])CC1 ZINC000738663121 603113178 /nfs/dbraw/zinc/11/31/78/603113178.db2.gz ZBVVLVIBEKPIIE-UHFFFAOYSA-N -2 0 321.377 1.309 20 0 DDADRL O=C([O-])NCCCNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000832617310 603753652 /nfs/dbraw/zinc/75/36/52/603753652.db2.gz USQGZBWLRMPNOM-UHFFFAOYSA-N -2 0 322.296 1.105 20 0 DDADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2ccccn2)cc1F ZINC000833148652 604886135 /nfs/dbraw/zinc/88/61/35/604886135.db2.gz ORHNHDHSLNBOBN-UHFFFAOYSA-N -2 0 324.289 1.038 20 0 DDADRL CC1(C)C[C@H]1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833557141 605115166 /nfs/dbraw/zinc/11/51/66/605115166.db2.gz NKQVPAQFXHMOQY-LURJTMIESA-N -2 0 303.361 1.297 20 0 DDADRL CC1(C)CCCC[C@H]1CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000833561633 605117185 /nfs/dbraw/zinc/11/71/85/605117185.db2.gz UBTYIAGIFRYTNT-NSHDSACASA-N -2 0 319.423 1.904 20 0 DDADRL CCCS(=O)(=O)[N-]C(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000826945251 605420839 /nfs/dbraw/zinc/42/08/39/605420839.db2.gz XEKCSONHFKRZQT-UHFFFAOYSA-N -2 0 300.336 1.555 20 0 DDADRL O=C([O-])N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[N-]OCc1cccnc1 ZINC000834050038 605656099 /nfs/dbraw/zinc/65/60/99/605656099.db2.gz UWODNYNRSDJTGQ-MJBXVCDLSA-N -2 0 319.361 1.941 20 0 DDADRL O=C([O-])Nc1ccccc1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000834268601 605976251 /nfs/dbraw/zinc/97/62/51/605976251.db2.gz QZFSNNQIQVGALT-SECBINFHSA-N -2 0 316.321 1.309 20 0 DDADRL O=C([O-])c1ccc(CCNC(=O)[C@H]2CCCCN2C(=O)[O-])cc1 ZINC000834283410 606032294 /nfs/dbraw/zinc/03/22/94/606032294.db2.gz OJVKFYRSOXEFBB-CYBMUJFWSA-N -2 0 320.345 1.576 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)o1 ZINC000834246085 606034895 /nfs/dbraw/zinc/03/48/95/606034895.db2.gz HYDXEUYGKDPZPK-SNVBAGLBSA-N -2 0 322.317 1.374 20 0 DDADRL O=C([O-])Nc1ccc(CC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000834256021 606035133 /nfs/dbraw/zinc/03/51/33/606035133.db2.gz NJVKNTXSLWNXJM-GFCCVEGCSA-N -2 0 306.318 1.785 20 0 DDADRL C[C@@H](C(=O)[O-])[C@H](NC(=O)CCCN(C)C(=O)[O-])c1ccccc1 ZINC000833790911 606053698 /nfs/dbraw/zinc/05/36/98/606053698.db2.gz QRIQOKVVNZQDRT-RISCZKNCSA-N -2 0 322.361 1.955 20 0 DDADRL O=C([O-])COc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000834065275 606056877 /nfs/dbraw/zinc/05/68/77/606056877.db2.gz JRKJBGNRJCJRIK-SNVBAGLBSA-N -2 0 322.317 1.479 20 0 DDADRL O=C(Nc1nc(Br)ccc1O)c1ncccc1[O-] ZINC000189977785 697582873 /nfs/dbraw/zinc/58/28/73/697582873.db2.gz MQGJAYGNCBJIOE-UHFFFAOYSA-N -2 0 310.107 1.903 20 0 DDADRL O=C([O-])Cc1nc(NC(=O)c2coc(-c3ccccc3)n2)n[nH]1 ZINC000739899451 699782126 /nfs/dbraw/zinc/78/21/26/699782126.db2.gz NSMFXTGREVTPPS-UHFFFAOYSA-N -2 0 313.273 1.339 20 0 DDADRL CCc1ccc(-c2ccc(C(=O)[N-]n3c(=O)[n-][nH]c3=O)o2)cc1 ZINC000816733958 702169034 /nfs/dbraw/zinc/16/90/34/702169034.db2.gz TVGDBGFWSZRUDY-UHFFFAOYSA-N -2 0 314.301 1.896 20 0 DDADRL CCC(CC)(CNC(=O)C(=O)[N-]OCc1ccccc1)C(=O)[O-] ZINC000818659168 703953094 /nfs/dbraw/zinc/95/30/94/703953094.db2.gz LYWGHAIDBWAWKA-UHFFFAOYSA-N -2 0 322.361 1.242 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000863952683 706044939 /nfs/dbraw/zinc/04/49/39/706044939.db2.gz CKQMSPOPXIJXNH-LLVKDONJSA-N -2 0 317.338 1.129 20 0 DDADRL Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000863952486 706044997 /nfs/dbraw/zinc/04/49/97/706044997.db2.gz YHTNZGYWVCQCRM-MNOVXSKESA-N -2 0 311.359 1.301 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000863955707 706046217 /nfs/dbraw/zinc/04/62/17/706046217.db2.gz VTBFGNLAVPVMOM-PWSUYJOCSA-N -2 0 313.375 1.550 20 0 DDADRL CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000863958759 706046518 /nfs/dbraw/zinc/04/65/18/706046518.db2.gz JORYUVROCBMTFP-SECBINFHSA-N -2 0 315.347 1.008 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000863958833 706046782 /nfs/dbraw/zinc/04/67/82/706046782.db2.gz LGRULBBPZMVKFE-LLVKDONJSA-N -2 0 317.338 1.129 20 0 DDADRL COC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(O)ccc1Cl ZINC000909377213 713003746 /nfs/dbraw/zinc/00/37/46/713003746.db2.gz ZWHPPJSKNXTEPO-CYBMUJFWSA-N -2 0 301.726 1.655 20 0 DDADRL O=C([O-])[C@@H]1CCN(C(=O)N2CCc3ccccc32)C[C@H]1C(=O)[O-] ZINC000899923827 709238719 /nfs/dbraw/zinc/23/87/19/709238719.db2.gz MZYMPABKHHHSQL-VXGBXAGGSA-N -2 0 318.329 1.276 20 0 DDADRL O=C([O-])CC1CC(NS(=O)(=O)c2cccc(F)c2F)C1 ZINC000899933533 709242047 /nfs/dbraw/zinc/24/20/47/709242047.db2.gz VHDPQCJMOSMGOG-UHFFFAOYSA-N -2 0 305.302 1.496 20 0 DDADRL CC(=O)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1O ZINC000909905417 709680567 /nfs/dbraw/zinc/68/05/67/709680567.db2.gz KHFFBVIRZLMEGU-UONOGXRCSA-N -2 0 317.341 1.778 20 0 DDADRL CCc1ccc(CC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC000910189313 709804007 /nfs/dbraw/zinc/80/40/07/709804007.db2.gz SBKAYURREPYZIR-KGLIPLIRSA-N -2 0 319.357 1.568 20 0 DDADRL C[C@H](CC1CCCC1)C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910191123 709805191 /nfs/dbraw/zinc/80/51/91/709805191.db2.gz XUJKUDMSYASCLD-RAIGVLPGSA-N -2 0 311.378 1.979 20 0 DDADRL C[C@]1(C(=O)[O-])CCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000902111506 710619275 /nfs/dbraw/zinc/61/92/75/710619275.db2.gz LLSYDPLYUDSNLF-MRXNPFEDSA-N -2 0 315.329 1.657 20 0 DDADRL O=C([O-])[C@@H]1CSCN1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000906787993 712411795 /nfs/dbraw/zinc/41/17/95/712411795.db2.gz IQRLQJPUDVCHEE-ZETCQYMHSA-N -2 0 323.779 1.194 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cncc(N)c2)ccc1C(=O)[O-] ZINC001211654872 737626503 /nfs/dbraw/zinc/62/65/03/737626503.db2.gz BBCIJRIMHXTNQM-UHFFFAOYSA-N -2 0 307.331 1.471 20 0 DDADRL Cc1ccc(C(C)C)c(O)c1C(=O)NCCOP(=O)([O-])[O-] ZINC001188181748 744670030 /nfs/dbraw/zinc/67/00/30/744670030.db2.gz NWCSLLFOABSGNL-UHFFFAOYSA-N -2 0 317.278 1.663 20 0 DDADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CCCC12COC2 ZINC001189877652 745012930 /nfs/dbraw/zinc/01/29/30/745012930.db2.gz WSJHWVJQLGIXBL-UHFFFAOYSA-N -2 0 313.246 1.163 20 0 DDADRL Cn1cnc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC001192100781 745690831 /nfs/dbraw/zinc/69/08/31/745690831.db2.gz YQUKWPUIQYJAJS-UHFFFAOYSA-N -2 0 309.347 1.238 20 0 DDADRL CC(C)(C)c1cnc(C(=O)NCCCC[P@@](=O)([O-])O)cn1 ZINC001192800617 745896876 /nfs/dbraw/zinc/89/68/76/745896876.db2.gz SGZCGIPCUCUEMS-UHFFFAOYSA-N -2 0 315.310 1.462 20 0 DDADRL Cc1cc(C(=O)NCCOP(=O)([O-])[O-])nc2ccccc12 ZINC001198602259 747545435 /nfs/dbraw/zinc/54/54/35/747545435.db2.gz ICVLRUJBNQGOED-UHFFFAOYSA-N -2 0 310.246 1.382 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)Nc1ccnnc1Cl ZINC001198740460 747585981 /nfs/dbraw/zinc/58/59/81/747585981.db2.gz GRQKSRZQANBCCI-UHFFFAOYSA-N -2 0 313.722 1.629 20 0 DDADRL Cc1cnc(NCCOP(=O)([O-])[O-])c(Br)c1 ZINC001168591352 751215905 /nfs/dbraw/zinc/21/59/05/751215905.db2.gz PZMKPIGJVWYSIZ-UHFFFAOYSA-N -2 0 311.072 1.674 20 0 DDADRL O=C([O-])C(F)(F)C(F)(F)C(=O)NCc1ccc2nonc2c1 ZINC001180175992 779634994 /nfs/dbraw/zinc/63/49/94/779634994.db2.gz HIZAPFJDCHOBBY-UHFFFAOYSA-N -2 0 321.186 1.194 20 0 DDADRL CCCN(CCC)c1cncc(NCCOP(=O)([O-])[O-])n1 ZINC001157791438 864143773 /nfs/dbraw/zinc/14/37/73/864143773.db2.gz NZDCDBMMSPQRPX-UHFFFAOYSA-N -2 0 318.314 1.624 20 0 DDADRL COc1ccc(C(N)=O)cc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001205206661 871427985 /nfs/dbraw/zinc/42/79/85/871427985.db2.gz KAPVBUFUWWULCM-UHFFFAOYSA-N -2 0 315.281 1.858 20 0 DDADRL O=C([O-])C[C@H](C(=O)Oc1ccc2sccc2c1)[C@@H](O)C(=O)[O-] ZINC001229121395 883830979 /nfs/dbraw/zinc/83/09/79/883830979.db2.gz CBABFEINLJSBNX-JOYOIKCWSA-N -2 0 324.310 1.343 20 0 DDADRL COc1cc(C(=O)[O-])ccc1-c1cccc(S(=O)(=O)[O-])n1 ZINC001240733788 891026353 /nfs/dbraw/zinc/02/63/53/891026353.db2.gz KHVOQFDZYBQNPD-UHFFFAOYSA-N -2 0 309.299 1.702 20 0 DDADRL COC(=O)c1ncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001242160340 891354077 /nfs/dbraw/zinc/35/40/77/891354077.db2.gz BKARFQXKZJVQRQ-UHFFFAOYSA-N -2 0 302.242 1.327 20 0 DDADRL C[C@]1(C(=O)[O-])CCCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000079478457 185173064 /nfs/dbraw/zinc/17/30/64/185173064.db2.gz NGDJJIKIHWNPLM-CYBMUJFWSA-N -2 0 303.236 1.889 20 0 DDADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1 ZINC000285120843 539284429 /nfs/dbraw/zinc/28/44/29/539284429.db2.gz PJXUJKSWJADHPN-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnoc2)c(Cl)c1 ZINC000311483570 539294242 /nfs/dbraw/zinc/29/42/42/539294242.db2.gz LOOOIGSQGMIWNE-UHFFFAOYSA-N -2 0 302.695 1.827 20 0 DDADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]OCc1ccccc1 ZINC000277184542 213352101 /nfs/dbraw/zinc/35/21/01/213352101.db2.gz UFOHGOGLKMGNLR-UHFFFAOYSA-N -2 0 304.268 1.692 20 0 DDADRL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000230026693 354324469 /nfs/dbraw/zinc/32/44/69/354324469.db2.gz IWONUPSDDPJJNH-UHFFFAOYSA-N -2 0 301.711 1.562 20 0 DDADRL O=C([O-])CSCC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000593924854 356064357 /nfs/dbraw/zinc/06/43/57/356064357.db2.gz ZPSPNQJLFABUON-QWRGUYRKSA-N -2 0 309.343 1.234 20 0 DDADRL C[C@@H]1CN(C(=O)NCCCCCC(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000626766705 367733529 /nfs/dbraw/zinc/73/35/29/367733529.db2.gz PTAIBRZDWLPFDA-MNOVXSKESA-N -2 0 300.355 1.384 20 0 DDADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000021812675 182292984 /nfs/dbraw/zinc/29/29/84/182292984.db2.gz ASVZADDIEXAGAK-UHFFFAOYSA-N -2 0 310.331 1.831 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2nccs2)cc1C(=O)[O-] ZINC000037310189 406987643 /nfs/dbraw/zinc/98/76/43/406987643.db2.gz CMZKCZYEQGHTTH-UHFFFAOYSA-N -2 0 314.344 1.651 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]OCc1cccnc1 ZINC000183732059 408480049 /nfs/dbraw/zinc/48/00/49/408480049.db2.gz JLUKKTWDGUYJJK-JTQLQIEISA-N -2 0 319.283 1.333 20 0 DDADRL Cc1nc(S(=O)(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c[nH]1 ZINC000274953774 408574662 /nfs/dbraw/zinc/57/46/62/408574662.db2.gz GTXUREXHGYRERM-RNCFNFMXSA-N -2 0 323.374 1.458 20 0 DDADRL CCc1ccc([N-]S(=O)(=O)c2cnn(C)c2C)c(C(=O)[O-])c1 ZINC000291907780 408942281 /nfs/dbraw/zinc/94/22/81/408942281.db2.gz LTJZLUPBENIVER-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL O=C([O-])c1ccc(NS(=O)(=O)CCCCF)cc1C(=O)[O-] ZINC000554430379 421639888 /nfs/dbraw/zinc/63/98/88/421639888.db2.gz LPMZRFCBMCTYPI-UHFFFAOYSA-N -2 0 319.310 1.574 20 0 DDADRL O=C([O-])CCC[C@@H](NS(=O)(=O)CC1CCCCC1)C(=O)[O-] ZINC000227941662 263548918 /nfs/dbraw/zinc/54/89/18/263548918.db2.gz SOEVIXHFSWHPGU-LLVKDONJSA-N -2 0 321.395 1.194 20 0 DDADRL CC(C)C[C@@H](CNC(=O)c1cccc(OCC(=O)[O-])c1)C(=O)[O-] ZINC000656857945 423806075 /nfs/dbraw/zinc/80/60/75/423806075.db2.gz NQXFOAFXXYWXBV-LBPRGKRZSA-N -2 0 323.345 1.627 20 0 DDADRL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1[N-]S(=O)(=O)c1ccco1 ZINC000375607453 301963112 /nfs/dbraw/zinc/96/31/12/301963112.db2.gz MOBVENIZGVRENW-UHFFFAOYSA-N -2 0 320.330 1.880 20 0 DDADRL Cc1n[n-]c(=NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])s1 ZINC000521528422 302875995 /nfs/dbraw/zinc/87/59/95/302875995.db2.gz LNLBLBLCYMMRGK-MRVPVSSYSA-N -2 0 300.384 1.669 20 0 DDADRL COc1ccc([O-])c(C(=O)N=c2nc(C3(C)CC3)[n-]s2)c1 ZINC000529704913 303145652 /nfs/dbraw/zinc/14/56/52/303145652.db2.gz WNLXJMSOFTWJNY-UHFFFAOYSA-N -2 0 305.359 1.978 20 0 DDADRL Cc1ccsc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000539195864 303393687 /nfs/dbraw/zinc/39/36/87/303393687.db2.gz FVGWIMCCBABHEO-UHFFFAOYSA-N -2 0 301.349 1.289 20 0 DDADRL CN(CC(C)(C)C)C(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000548876270 303595174 /nfs/dbraw/zinc/59/51/74/303595174.db2.gz VKWRUYWBQFSCGT-AWEZNQCLSA-N -2 0 300.355 1.336 20 0 DDADRL COc1ccc(-c2noc(=N[C@H]3CC[C@@H](C(=O)[O-])C3)[n-]2)cc1 ZINC000569813986 308150715 /nfs/dbraw/zinc/15/07/15/308150715.db2.gz RCSBNZIPMUTNBQ-MNOVXSKESA-N -2 0 303.318 1.832 20 0 DDADRL O=C([O-])C1([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000576470521 308317061 /nfs/dbraw/zinc/31/70/61/308317061.db2.gz ZAXHCCBDTBTHNP-UHFFFAOYSA-N -2 0 313.228 1.139 20 0 DDADRL O=C([O-])CN(CC1CC1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000036885021 483924963 /nfs/dbraw/zinc/92/49/63/483924963.db2.gz UIEPZEKJRPLVOP-UHFFFAOYSA-N -2 0 303.236 1.746 20 0 DDADRL CC(C)[C@H](CNC(=O)N1CCC[C@H](CC(=O)[O-])C1)C(=O)[O-] ZINC000655896648 483988219 /nfs/dbraw/zinc/98/82/19/483988219.db2.gz MZLDWBMKDOGFEQ-MNOVXSKESA-N -2 0 300.355 1.240 20 0 DDADRL CC(C)C[C@H](CNC(=O)c1cnc(C(=O)[O-])cn1)CC(=O)[O-] ZINC000663139758 484698501 /nfs/dbraw/zinc/69/85/01/484698501.db2.gz NVODBMZGCUEBJP-VIFPVBQESA-N -2 0 309.322 1.042 20 0 DDADRL CCCc1nc(=NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)s[n-]1 ZINC000422543430 528688381 /nfs/dbraw/zinc/68/83/81/528688381.db2.gz RVZIQOPIRVRXIX-IUCAKERBSA-N -2 0 312.395 1.487 20 0 DDADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CSCC(=O)[O-] ZINC000739056738 597108242 /nfs/dbraw/zinc/10/82/42/597108242.db2.gz FTUKUBMNVCSOOU-VIFPVBQESA-N -2 0 317.388 1.011 20 0 DDADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c(C)c1 ZINC000738358158 599739502 /nfs/dbraw/zinc/73/95/02/599739502.db2.gz RDKJHNJFMBYNON-UHFFFAOYSA-N -2 0 323.374 1.694 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cn1 ZINC000157856526 599852557 /nfs/dbraw/zinc/85/25/57/599852557.db2.gz ATBHVRHTNJWDLT-UHFFFAOYSA-N -2 0 309.347 1.238 20 0 DDADRL CC1(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)CCCC1 ZINC000736727039 600100572 /nfs/dbraw/zinc/10/05/72/600100572.db2.gz AKNPQPKGVQNZCH-UHFFFAOYSA-N -2 0 317.388 1.832 20 0 DDADRL COCc1cccc(S(=O)(=O)[N-]c2cc(C)[nH]c2C(=O)[O-])c1 ZINC000737834465 600255147 /nfs/dbraw/zinc/25/51/47/600255147.db2.gz FSOAUNRQIRGDRH-UHFFFAOYSA-N -2 0 324.358 1.969 20 0 DDADRL CC[C@H](NC(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC000828976647 601761660 /nfs/dbraw/zinc/76/16/60/601761660.db2.gz YFCVXBHMURGEIL-QMMMGPOBSA-N -2 0 302.124 1.748 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)c(F)c1 ZINC000832955798 601784811 /nfs/dbraw/zinc/78/48/11/601784811.db2.gz HYGTZFLWYABYDA-UHFFFAOYSA-N -2 0 312.322 1.972 20 0 DDADRL O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)[N-]O[C@H]1CCCCO1 ZINC000740458759 601947804 /nfs/dbraw/zinc/94/78/04/601947804.db2.gz XELGGXFWXOWGOL-KGLIPLIRSA-N -2 0 320.345 1.666 20 0 DDADRL O=C([O-])N1CCCc2cc([N-]S(=O)(=O)c3cn[nH]c3)ccc21 ZINC000740523069 602646517 /nfs/dbraw/zinc/64/65/17/602646517.db2.gz DFPXWBACORAPRW-UHFFFAOYSA-N -2 0 322.346 1.641 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)[O-])cc1Cl ZINC000830415652 603437861 /nfs/dbraw/zinc/43/78/61/603437861.db2.gz VJGPODXPTHBQSI-ZETCQYMHSA-N -2 0 320.754 1.109 20 0 DDADRL CN(C[C@H]1CCCN1C(=O)c1c([O-])cc(F)cc1F)C(=O)[O-] ZINC000828211615 604000630 /nfs/dbraw/zinc/00/06/30/604000630.db2.gz KVSWGUGXRAVJKE-SECBINFHSA-N -2 0 314.288 1.885 20 0 DDADRL O=C([O-])[C@@H]1CCCN1C(=O)c1cccc(Br)c1[O-] ZINC000821509874 604700667 /nfs/dbraw/zinc/70/06/67/604700667.db2.gz ZZQAFTVMGSIOIP-VIFPVBQESA-N -2 0 314.135 1.844 20 0 DDADRL CC(C)C[C@H](NS(=O)(=O)c1ccsc1C(=O)[O-])C(=O)[O-] ZINC000833491206 604881312 /nfs/dbraw/zinc/88/13/12/604881312.db2.gz MBQBTSOBYFQSEU-ZETCQYMHSA-N -2 0 321.376 1.224 20 0 DDADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000833678749 605007373 /nfs/dbraw/zinc/00/73/73/605007373.db2.gz YAJHCNIMKCFPOQ-UHFFFAOYSA-N -2 0 313.335 1.383 20 0 DDADRL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000833602202 605188400 /nfs/dbraw/zinc/18/84/00/605188400.db2.gz PWUBLROLOBCEPC-SFYZADRCSA-N -2 0 317.388 1.687 20 0 DDADRL O=C([O-])N[C@@H](CC(=O)N[C@@H](CC1CC1)C(=O)[O-])c1ccccc1 ZINC000834122426 605307530 /nfs/dbraw/zinc/30/75/30/605307530.db2.gz LLVFLXIYFJVYPO-STQMWFEESA-N -2 0 320.345 1.755 20 0 DDADRL O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)c1ccc(F)cc1[O-])C2 ZINC000834018549 605832068 /nfs/dbraw/zinc/83/20/68/605832068.db2.gz YUWHICUBMUBTTQ-FGWVZKOKSA-N -2 0 308.309 1.935 20 0 DDADRL O=C([O-])N1CCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000834112065 605984330 /nfs/dbraw/zinc/98/43/30/605984330.db2.gz XIKAZJFVLHRZBH-UHFFFAOYSA-N -2 0 302.290 1.319 20 0 DDADRL O=C([O-])NC1(CC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CCC1 ZINC000834156336 606030456 /nfs/dbraw/zinc/03/04/56/606030456.db2.gz YXCPTKRPTIWFAS-GFCCVEGCSA-N -2 0 320.345 1.379 20 0 DDADRL C[C@@H]1[C@H](C)N(C(=O)[O-])CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000833829233 606044757 /nfs/dbraw/zinc/04/47/57/606044757.db2.gz RBSLEYASBCPRRT-BDAKNGLRSA-N -2 0 322.390 1.970 20 0 DDADRL O=C([O-])C[C@H]1CSCCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000834059208 606051530 /nfs/dbraw/zinc/05/15/30/606051530.db2.gz AOSJNMTXQVMMIC-NSHDSACASA-N -2 0 324.358 1.809 20 0 DDADRL O=C([O-])/C=C\c1ccc(NC(=O)[C@H]2CSCN2C(=O)[O-])cc1 ZINC000834059894 606055321 /nfs/dbraw/zinc/05/53/21/606055321.db2.gz DAXRRCOCNHSDGH-ZTYXWKCZSA-N -2 0 322.342 1.776 20 0 DDADRL O=C([O-])Cn1ccc2cc(NC(=O)CCCNC(=O)[O-])ccc21 ZINC000834069852 606059610 /nfs/dbraw/zinc/05/96/10/606059610.db2.gz YOHULCPQUPGSMI-UHFFFAOYSA-N -2 0 319.317 1.712 20 0 DDADRL O=C([O-])N[C@H](CC(=O)N1CC[C@@H](C(=O)[O-])C1)Cc1ccccc1 ZINC000834122888 606112125 /nfs/dbraw/zinc/11/21/25/606112125.db2.gz VJKLAJFUMTUOGN-OLZOCXBDSA-N -2 0 320.345 1.189 20 0 DDADRL CC[C@H](C)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)[O-] ZINC000013300105 696053769 /nfs/dbraw/zinc/05/37/69/696053769.db2.gz KTPAJAGUXUWTSP-RCOVLWMOSA-N -2 0 321.376 1.224 20 0 DDADRL CSCCC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000058591484 696304767 /nfs/dbraw/zinc/30/47/67/696304767.db2.gz UBISMERHYRUMEM-UHFFFAOYSA-N -2 0 320.374 1.092 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cnc(-c2ccccc2)s1 ZINC000816731487 702167548 /nfs/dbraw/zinc/16/75/48/702167548.db2.gz SXYNQMNNFGLYHZ-UHFFFAOYSA-N -2 0 303.303 1.197 20 0 DDADRL CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000817881688 702508329 /nfs/dbraw/zinc/50/83/29/702508329.db2.gz RPPDYUSYLLUOSL-SECBINFHSA-N -2 0 308.334 1.726 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000863951907 706044707 /nfs/dbraw/zinc/04/47/07/706044707.db2.gz XBINHEOIFYMXQJ-JTQLQIEISA-N -2 0 319.766 1.502 20 0 DDADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000863956973 706046196 /nfs/dbraw/zinc/04/61/96/706046196.db2.gz WKODGWZAGUNOMO-MRVPVSSYSA-N -2 0 305.377 1.300 20 0 DDADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000863956888 706046292 /nfs/dbraw/zinc/04/62/92/706046292.db2.gz IAXCFQZPGNWYSZ-UHFFFAOYSA-N -2 0 320.754 1.185 20 0 DDADRL Cc1ccsc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000863962242 706046962 /nfs/dbraw/zinc/04/69/62/706046962.db2.gz WMJQJQZNGMIQJZ-BDAKNGLRSA-N -2 0 317.388 1.362 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)C1CCC(C2CC2)CC1 ZINC000910185448 709801809 /nfs/dbraw/zinc/80/18/09/709801809.db2.gz ZRVQDZUOQPZCPV-CLRIEMFWSA-N -2 0 323.389 1.979 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(Cl)cc2)C1 ZINC000910187118 709802951 /nfs/dbraw/zinc/80/29/51/709802951.db2.gz ZUPMZBTWCVBQSA-KOLCDFICSA-N -2 0 311.721 1.730 20 0 DDADRL Cc1cc(F)ccc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910192902 709806299 /nfs/dbraw/zinc/80/62/99/709806299.db2.gz XCYYFNVBWKGGSF-JOYOIKCWSA-N -2 0 309.293 1.524 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000902109234 710617983 /nfs/dbraw/zinc/61/79/83/710617983.db2.gz HWVYGFBIOSEISJ-UFBFGSQYSA-N -2 0 324.299 1.155 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]CC(F)(F)C(=O)[O-])c(F)cc1F ZINC000905999177 712215790 /nfs/dbraw/zinc/21/57/90/712215790.db2.gz KFJGDXDEZOWIFO-UHFFFAOYSA-N -2 0 315.244 1.271 20 0 DDADRL CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000906787365 712411627 /nfs/dbraw/zinc/41/16/27/712411627.db2.gz BKHJESMYQTXOFM-QMMMGPOBSA-N -2 0 321.782 1.777 20 0 DDADRL Cc1cc(C)c(S(=O)(=O)NCCCC(=O)[O-])cc1C(=O)[O-] ZINC000917717923 713511036 /nfs/dbraw/zinc/51/10/36/713511036.db2.gz NQDAXKLPRPSSST-UHFFFAOYSA-N -2 0 315.347 1.145 20 0 DDADRL Cc1ccccc1CC1(C(=O)NCCOP(=O)([O-])[O-])CC1 ZINC001185194422 744185911 /nfs/dbraw/zinc/18/59/11/744185911.db2.gz WBPVGLAKHRCLGW-UHFFFAOYSA-N -2 0 313.290 1.543 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(Cl)nc2ccsc21 ZINC001168587004 751181378 /nfs/dbraw/zinc/18/13/78/751181378.db2.gz PNQKEYGLUHSEFM-UHFFFAOYSA-N -2 0 309.671 1.866 20 0 DDADRL O=P([O-])([O-])OCCNc1c(Cl)nnc(Cl)c1Cl ZINC001168590261 751208262 /nfs/dbraw/zinc/20/82/62/751208262.db2.gz YLWFUTCIJIGUNO-UHFFFAOYSA-N -2 0 322.472 1.958 20 0 DDADRL O=P([O-])([O-])OCCNc1ccc(-c2c[nH]c(=S)[nH]2)cc1 ZINC001168591451 751218108 /nfs/dbraw/zinc/21/81/08/751218108.db2.gz QXPMANOFOGKUGT-UHFFFAOYSA-N -2 0 315.291 1.887 20 0 DDADRL CNC(=O)c1ccc2cc(NCCOP(=O)([O-])[O-])ccc2c1 ZINC001168592509 751227939 /nfs/dbraw/zinc/22/79/39/751227939.db2.gz SILHMTMNZFXRSS-UHFFFAOYSA-N -2 0 324.273 1.721 20 0 DDADRL Nc1ncnc(Cl)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236085 778087866 /nfs/dbraw/zinc/08/78/66/778087866.db2.gz AUOGBEPYFBJFPK-UHFFFAOYSA-N -2 0 308.681 1.852 20 0 DDADRL Cc1nc(Cl)c(N)c(=N)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238536 778089232 /nfs/dbraw/zinc/08/92/32/778089232.db2.gz IDQHGCOYOXHFHL-UHFFFAOYSA-N -2 0 322.708 1.292 20 0 DDADRL CN(C)c1nccnc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176239045 778090292 /nfs/dbraw/zinc/09/02/92/778090292.db2.gz NSGDUNKGNHBKAJ-UHFFFAOYSA-N -2 0 302.290 1.683 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1ccc2[nH]ccc2c1F ZINC001155419209 862065404 /nfs/dbraw/zinc/06/54/04/862065404.db2.gz CLAJQCSFCUSKBE-UHFFFAOYSA-N -2 0 302.198 1.146 20 0 DDADRL C[C@H](CCOC(=O)[C@H](O)COP(=O)([O-])[O-])c1ccccc1 ZINC001224995607 881629719 /nfs/dbraw/zinc/62/97/19/881629719.db2.gz VAICYMHAVKLECO-ZYHUDNBSSA-N -2 0 318.262 1.194 20 0 DDADRL CC(C)(C)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001225257755 881745637 /nfs/dbraw/zinc/74/56/37/881745637.db2.gz QKNOLLKEIGWQCB-WCQYABFASA-N -2 0 324.329 1.426 20 0 DDADRL O=S(=O)([O-])c1ccc([O-])c(-c2nc(-c3cccnc3)no2)c1 ZINC001215454020 876715026 /nfs/dbraw/zinc/71/50/26/876715026.db2.gz DOSVXARHZTYVHF-UHFFFAOYSA-N -2 0 319.298 1.751 20 0 DDADRL COc1cc(C(N)=O)ccc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001222581396 880576904 /nfs/dbraw/zinc/57/69/04/880576904.db2.gz XOUUSILPHXZEET-UHFFFAOYSA-N -2 0 307.242 1.264 20 0 DDADRL C[C@H](OC(=O)[C@H](O)COP(=O)([O-])[O-])c1ccc(Cl)cc1 ZINC001223962553 881164025 /nfs/dbraw/zinc/16/40/25/881164025.db2.gz IHXYYZSYITZUBZ-OIBJUYFYSA-N -2 0 324.653 1.414 20 0 DDADRL CC(C)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228281606 883418848 /nfs/dbraw/zinc/41/88/48/883418848.db2.gz PRFFZBSCYMAXKQ-ZWNOBZJWSA-N -2 0 310.302 1.252 20 0 DDADRL CCC(CC)(NC(=O)c1s[n-]c(=O)c1Cl)c1nnn[n-]1 ZINC001362859048 884817295 /nfs/dbraw/zinc/81/72/95/884817295.db2.gz UQFONEBKQQXSDL-UHFFFAOYSA-N -2 0 316.774 1.461 20 0 DDADRL C=CC(=O)OC[C@@H](C)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234331048 887870036 /nfs/dbraw/zinc/87/00/36/887870036.db2.gz BEYRQNBWNSPRSD-SECBINFHSA-N -2 0 302.219 1.655 20 0 DDADRL CC(=O)NCc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1 ZINC001242160024 891354296 /nfs/dbraw/zinc/35/42/96/891354296.db2.gz AIMZSCUMLHNIHI-UHFFFAOYSA-N -2 0 314.297 1.781 20 0 DDADRL O=C([O-])CCCCCNC(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000417738325 304047066 /nfs/dbraw/zinc/04/70/66/304047066.db2.gz OXRAORZTOZRHCA-UHFFFAOYSA-N -2 0 324.362 1.987 20 0 DDADRL CCOC(=O)c1nc([N-]S(=O)(=O)c2cccc(CC)c2)c[nH]1 ZINC000618906737 363792346 /nfs/dbraw/zinc/79/23/46/363792346.db2.gz VJUVBEXGKJDPIW-UHFFFAOYSA-N -2 0 323.374 1.950 20 0 DDADRL C[C@@H](C[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000569608552 304368750 /nfs/dbraw/zinc/36/87/50/304368750.db2.gz CQUOGRNEIDSTDF-BYPYZUCNSA-N -2 0 315.244 1.242 20 0 DDADRL O=C([O-])CCCCC[N-]S(=O)(=O)c1c(F)cccc1F ZINC000037405835 406988435 /nfs/dbraw/zinc/98/84/35/406988435.db2.gz ZAYRHQSRYVAMAC-UHFFFAOYSA-N -2 0 307.318 1.888 20 0 DDADRL O=C(c1cc(Cl)ccc1O)N1CCc2nc[nH]c(=O)c2C1 ZINC000179091429 407718261 /nfs/dbraw/zinc/71/82/61/407718261.db2.gz AJIWIAYOWREPIC-UHFFFAOYSA-N -2 0 305.721 1.327 20 0 DDADRL CCc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000337870116 409527009 /nfs/dbraw/zinc/52/70/09/409527009.db2.gz QORNGGBOTRQXQW-UHFFFAOYSA-N -2 0 302.333 1.798 20 0 DDADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1 ZINC000338221639 409811657 /nfs/dbraw/zinc/81/16/57/409811657.db2.gz RKCIJTQVPWGVCL-UHFFFAOYSA-N -2 0 309.347 1.963 20 0 DDADRL CC(C)c1nc(/C=C\c2cn(CC(=O)[O-])nn2)ncc1C(=O)[O-] ZINC000340186957 410736511 /nfs/dbraw/zinc/73/65/11/410736511.db2.gz ZMEINRAKEBUTOC-ARJAWSKDSA-N -2 0 317.305 1.145 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2cnc(C)nc2)cc(C(=O)[O-])c1C ZINC000348439065 410965464 /nfs/dbraw/zinc/96/54/64/410965464.db2.gz GUDRKAUUTJAGAR-UHFFFAOYSA-N -2 0 321.358 1.901 20 0 DDADRL CCCc1n[n-]c(=NC(=O)N2CCC(C)(C(=O)[O-])CC2)s1 ZINC000647690331 422999792 /nfs/dbraw/zinc/99/97/92/422999792.db2.gz DVIVDOUTWBESSF-UHFFFAOYSA-N -2 0 312.395 1.631 20 0 DDADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433518130 229216501 /nfs/dbraw/zinc/21/65/01/229216501.db2.gz FTSPXARNVCFPED-UHFFFAOYSA-N -3 0 312.303 1.496 20 0 DDADRL CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)[C@@H]1CCCO1 ZINC000563068676 421449718 /nfs/dbraw/zinc/44/97/18/421449718.db2.gz PITVJLBXDAZWPO-UWVGGRQHSA-N -2 0 303.336 1.214 20 0 DDADRL CO[C@H](CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O)C1CC1 ZINC000563135590 421461719 /nfs/dbraw/zinc/46/17/19/421461719.db2.gz NFNGGTVJEWRGRG-LLVKDONJSA-N -2 0 315.347 1.257 20 0 DDADRL O=C([O-])[C@H]1CCCN(S(=O)(=O)c2cc([O-])cc(F)c2)C1 ZINC000630443469 422106260 /nfs/dbraw/zinc/10/62/60/422106260.db2.gz XRCBHAJSKDHICE-QMMMGPOBSA-N -2 0 303.311 1.017 20 0 DDADRL C[C@@H]1CCN(C(=O)NCc2cccc(C(=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000646162336 423375308 /nfs/dbraw/zinc/37/53/08/423375308.db2.gz UPTSBRBIKJWJOX-MFKMUULPSA-N -2 0 320.345 1.637 20 0 DDADRL C[C@@H]1CCN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C[C@H]1C(=O)[O-] ZINC000665316795 424782081 /nfs/dbraw/zinc/78/20/81/424782081.db2.gz NNFASLAYOROHIR-YUSALJHKSA-N -2 0 312.366 1.240 20 0 DDADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H](C)C(=O)[O-])n1 ZINC000515176596 302767538 /nfs/dbraw/zinc/76/75/38/302767538.db2.gz XAVLZKIONZEWRI-SECBINFHSA-N -2 0 303.318 1.343 20 0 DDADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cccnc2)cc([N+](=O)[O-])c1 ZINC000547589488 303541867 /nfs/dbraw/zinc/54/18/67/303541867.db2.gz RRJYQXVDHPVYJT-UHFFFAOYSA-N -2 0 323.286 1.489 20 0 DDADRL CC(C)C[C@H](C[N-]S(=O)(=O)[C@@H](C)C(F)(F)F)CC(=O)[O-] ZINC000547894654 303558695 /nfs/dbraw/zinc/55/86/95/303558695.db2.gz DMVPDUIMCOQCBB-IUCAKERBSA-N -2 0 319.345 1.994 20 0 DDADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000371876571 307159315 /nfs/dbraw/zinc/15/93/15/307159315.db2.gz NJWOAYKFKYKZLE-UHFFFAOYSA-N -2 0 321.358 1.718 20 0 DDADRL CC[C@@H](NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C(=O)[O-] ZINC000555637421 307846511 /nfs/dbraw/zinc/84/65/11/307846511.db2.gz OKGSGKFZRJJTIS-SNVBAGLBSA-N -2 0 321.308 1.618 20 0 DDADRL CC(C)(C(=O)[O-])n1cc([N-]c2nnc(-c3ccon3)s2)cn1 ZINC000662896014 484527851 /nfs/dbraw/zinc/52/78/51/484527851.db2.gz QGLMFFDBLCYJRZ-UHFFFAOYSA-N -2 0 320.334 1.953 20 0 DDADRL CN(CCC(=O)[O-])C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000818457273 597013838 /nfs/dbraw/zinc/01/38/38/597013838.db2.gz GZZLPCZGQOTOSG-UHFFFAOYSA-N -2 0 307.281 1.264 20 0 DDADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)c2cccs2)c1 ZINC000821549424 598148503 /nfs/dbraw/zinc/14/85/03/598148503.db2.gz ABVZZZNLDRPUBB-UHFFFAOYSA-N -2 0 311.340 1.565 20 0 DDADRL N#CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000037046321 599735503 /nfs/dbraw/zinc/73/55/03/599735503.db2.gz ARMDQAJQRBFMEG-UHFFFAOYSA-N -2 0 306.299 1.845 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](NC(=O)[O-])C(C)C)s1 ZINC000738652651 599884126 /nfs/dbraw/zinc/88/41/26/599884126.db2.gz QLRLYAWRJOLAIU-SECBINFHSA-N -2 0 320.392 1.154 20 0 DDADRL C[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccsc1 ZINC000736215088 600510345 /nfs/dbraw/zinc/51/03/45/600510345.db2.gz ITWNSINZQGNGLT-QMMMGPOBSA-N -2 0 305.377 1.162 20 0 DDADRL Cc1cccc(C)c1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000035651683 600671056 /nfs/dbraw/zinc/67/10/56/600671056.db2.gz UVZHHJBIKISHMB-UHFFFAOYSA-N -2 0 309.347 1.385 20 0 DDADRL Cc1ccsc1S(=O)(=O)[N-]c1nc(CC(=O)[O-])cs1 ZINC000832985448 600975507 /nfs/dbraw/zinc/97/55/07/600975507.db2.gz OOZIYNNEKNEBLK-UHFFFAOYSA-N -2 0 318.401 1.941 20 0 DDADRL CCC[C@](C)(NC(=O)CSc1n[n-]c(=S)s1)C(=O)[O-] ZINC000829193947 601197901 /nfs/dbraw/zinc/19/79/01/601197901.db2.gz OXZGAHVDYFIHBZ-JTQLQIEISA-N -2 0 321.449 1.679 20 0 DDADRL CC(C)(CCC(=O)[O-])NC(=O)CSc1n[n-]c(=S)s1 ZINC000817828195 601285329 /nfs/dbraw/zinc/28/53/29/601285329.db2.gz YOUGJNPZRZIGMG-UHFFFAOYSA-N -2 0 321.449 1.679 20 0 DDADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C2CC2)cc1 ZINC000833315273 601364439 /nfs/dbraw/zinc/36/44/39/601364439.db2.gz PZYDQEUFZCFPHR-STQMWFEESA-N -2 0 323.370 1.377 20 0 DDADRL O=C([O-])C1(CNC(=O)c2cc(=O)c3ccccc3[nH]2)CCCC1 ZINC000391156611 601708217 /nfs/dbraw/zinc/70/82/17/601708217.db2.gz BAJROIJCKMOHTL-UHFFFAOYSA-N -2 0 314.341 1.903 20 0 DDADRL C[C@H]1CN(C(=O)c2nn(-c3ccccc3)cc2[O-])C[C@@H]1C(=O)[O-] ZINC000828411565 601800379 /nfs/dbraw/zinc/80/03/79/601800379.db2.gz IJCKRVGKBPHJNN-JQWIXIFHSA-N -2 0 315.329 1.371 20 0 DDADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000827304451 602179087 /nfs/dbraw/zinc/17/90/87/602179087.db2.gz VHVMHUICJAVLPL-SSDOTTSWSA-N -2 0 305.739 1.256 20 0 DDADRL CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-])cc1 ZINC000829566320 602179225 /nfs/dbraw/zinc/17/92/25/602179225.db2.gz IFPYLXGCTXYTRX-JTQLQIEISA-N -2 0 313.375 1.555 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-])c(C)s1 ZINC000832903187 602187878 /nfs/dbraw/zinc/18/78/78/602187878.db2.gz PXLVMGUILKCMPK-LURJTMIESA-N -2 0 305.377 1.281 20 0 DDADRL O=C([O-])c1cc(NC(=O)NCc2n[nH]c(=O)[n-]2)ccc1Cl ZINC000392353416 602362936 /nfs/dbraw/zinc/36/29/36/602362936.db2.gz OPLOEYPAZNDKBS-UHFFFAOYSA-N -2 0 311.685 1.184 20 0 DDADRL CN(CCNC(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC000739699308 602458603 /nfs/dbraw/zinc/45/86/03/602458603.db2.gz YSPCFQHZCMWPDC-UHFFFAOYSA-N -2 0 317.139 1.494 20 0 DDADRL O=C([O-])N1CCCc2cc([N-]S(=O)(=O)c3c[nH]cn3)ccc21 ZINC000740523484 603295138 /nfs/dbraw/zinc/29/51/38/603295138.db2.gz JBCAXPSKSDVNHT-UHFFFAOYSA-N -2 0 322.346 1.641 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000829833059 603401589 /nfs/dbraw/zinc/40/15/89/603401589.db2.gz FCVIKLOUAPHXAV-MRVPVSSYSA-N -2 0 324.362 1.848 20 0 DDADRL C[C@@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)CCN1C(=O)[O-] ZINC000826035277 603840111 /nfs/dbraw/zinc/84/01/11/603840111.db2.gz SPJUFRUTFIIQDM-MRVPVSSYSA-N -2 0 321.358 1.941 20 0 DDADRL CN(C(=O)c1ccc2[n-]c(=S)oc2c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827939435 603872502 /nfs/dbraw/zinc/87/25/02/603872502.db2.gz ZPBLRSGOYYAKML-VIFPVBQESA-N -2 0 321.358 1.941 20 0 DDADRL CCC[C@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1nnn[n-]1 ZINC000826763923 604002633 /nfs/dbraw/zinc/00/26/33/604002633.db2.gz GHXCPIXTCAIPOU-VIFPVBQESA-N -2 0 322.300 1.700 20 0 DDADRL CC(C)C[C@H](NC(=O)[O-])C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000833481973 604705028 /nfs/dbraw/zinc/70/50/28/604705028.db2.gz YLEBJMKFDZZPOK-ILDUYXDCSA-N -2 0 300.355 1.428 20 0 DDADRL C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833407849 604880757 /nfs/dbraw/zinc/88/07/57/604880757.db2.gz QSLPIGXGVFSCBS-LURJTMIESA-N -2 0 321.738 1.132 20 0 DDADRL CN=c1[n-]nc(SCCOc2ccccc2C(=O)[O-])s1 ZINC000385300753 605148615 /nfs/dbraw/zinc/14/86/15/605148615.db2.gz MFIMFXYLZLZGGI-UHFFFAOYSA-N -2 0 311.388 1.871 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1F ZINC000833733145 605185991 /nfs/dbraw/zinc/18/59/91/605185991.db2.gz JJQKKEMLZZZHPR-UHFFFAOYSA-N -2 0 315.278 1.926 20 0 DDADRL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000834014382 606029682 /nfs/dbraw/zinc/02/96/82/606029682.db2.gz IVRUACMLZCHMCT-CHWSQXEVSA-N -2 0 320.345 1.189 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)N2CCc3cc(C(=O)[O-])ccc32)C1 ZINC000834166556 606034984 /nfs/dbraw/zinc/03/49/84/606034984.db2.gz WZPGHQHOKWZINC-CMPLNLGQSA-N -2 0 318.329 1.710 20 0 DDADRL Cc1oc(CN(C)C(=O)C2CCN(C(=O)[O-])CC2)cc1C(=O)[O-] ZINC000833934497 606055140 /nfs/dbraw/zinc/05/51/40/606055140.db2.gz LCCWVUFPZXJLNZ-UHFFFAOYSA-N -2 0 324.333 1.635 20 0 DDADRL O=C([O-])N[C@H]1CC[C@@H](C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000834167110 606057016 /nfs/dbraw/zinc/05/70/16/606057016.db2.gz ADBFUERCVFQZEG-PWSUYJOCSA-N -2 0 306.318 1.437 20 0 DDADRL O=C([O-])COc1cccc(NC(=O)CC2CN(C(=O)[O-])C2)c1 ZINC000834065607 606057361 /nfs/dbraw/zinc/05/73/61/606057361.db2.gz NLDWSHRTFNLYRX-UHFFFAOYSA-N -2 0 308.290 1.088 20 0 DDADRL O=C([O-])NCC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000834199551 606059985 /nfs/dbraw/zinc/05/99/85/606059985.db2.gz AYLJMPAOYAUAJG-UHFFFAOYSA-N -2 0 308.315 1.483 20 0 DDADRL O=C([O-])N[C@H]1CC[C@@H](C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000834169847 606066833 /nfs/dbraw/zinc/06/68/33/606066833.db2.gz MAVPEXKMGLSZMP-APPZFPTMSA-N -2 0 310.281 1.899 20 0 DDADRL CCc1nc2ccccc2n1CC(=O)[N-]OC[C@@H](C)NC(=O)[O-] ZINC000833866594 606068152 /nfs/dbraw/zinc/06/81/52/606068152.db2.gz MWFXDRVVPIDOIQ-SNVBAGLBSA-N -2 0 320.349 1.303 20 0 DDADRL O=C([O-])NCCCC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000834230181 606071859 /nfs/dbraw/zinc/07/18/59/606071859.db2.gz RVCZHFDBEYNHDR-GHMZBOCLSA-N -2 0 300.355 1.574 20 0 DDADRL CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)cc1 ZINC000776425645 698106013 /nfs/dbraw/zinc/10/60/13/698106013.db2.gz DCOQNVNHBOAUBM-UHFFFAOYSA-N -2 0 323.330 1.122 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)cc1C ZINC000776427584 698106018 /nfs/dbraw/zinc/10/60/18/698106018.db2.gz QKWIBFDNYDMCAE-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)C(F)F ZINC000817420024 702377309 /nfs/dbraw/zinc/37/73/09/702377309.db2.gz JVEYBBZWGQXNHJ-UHFFFAOYSA-N -2 0 313.253 1.887 20 0 DDADRL O=C(c1cccc(Cl)c1[O-])N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000843875701 702936807 /nfs/dbraw/zinc/93/68/07/702936807.db2.gz RQNYTKQPBSAUBJ-UHFFFAOYSA-N -2 0 322.752 1.889 20 0 DDADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnccc1C ZINC000863963092 706047329 /nfs/dbraw/zinc/04/73/29/706047329.db2.gz JKTHEIXHEJFRLZ-UHFFFAOYSA-N -2 0 314.363 1.086 20 0 DDADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)cc1 ZINC000863964848 706047730 /nfs/dbraw/zinc/04/77/30/706047730.db2.gz CLTUUEIZINUOJZ-UHFFFAOYSA-N -2 0 319.285 1.242 20 0 DDADRL CC1(C)OCc2[n-]n(C(=O)c3cccc(C(=O)[O-])c3)c(=O)c21 ZINC000871962754 707256988 /nfs/dbraw/zinc/25/69/88/707256988.db2.gz IEPCDFMTPVTFCP-NSHDSACASA-N -2 0 302.286 1.148 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1CC(=O)[O-] ZINC000837290617 707612988 /nfs/dbraw/zinc/61/29/88/707612988.db2.gz CIESLHUMQURJFA-DJLDLDEBSA-N -2 0 317.329 1.890 20 0 DDADRL Cc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c(C)n1C ZINC000910183474 709801046 /nfs/dbraw/zinc/80/10/46/709801046.db2.gz BNWMDNCPLMPMIW-ZYHUDNBSSA-N -2 0 308.334 1.032 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC000910184489 709801650 /nfs/dbraw/zinc/80/16/50/709801650.db2.gz ROKMZCGQQRZWSJ-RGDJUOJXSA-N -2 0 323.389 1.979 20 0 DDADRL CC[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccccc1 ZINC000910186426 709802522 /nfs/dbraw/zinc/80/25/22/709802522.db2.gz QTWKQMWMXZOXLX-RDBSUJKOSA-N -2 0 319.357 1.957 20 0 DDADRL CC[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000910186423 709802550 /nfs/dbraw/zinc/80/25/50/709802550.db2.gz QTWKQMWMXZOXLX-HZSPNIEDSA-N -2 0 319.357 1.957 20 0 DDADRL C[C@@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)C[C@@H](C(=O)[O-])O1 ZINC000910228519 709826705 /nfs/dbraw/zinc/82/67/05/709826705.db2.gz ODZNILRGRSODQG-LDWIPMOCSA-N -2 0 317.700 1.499 20 0 DDADRL C[C@H](C(=O)[O-])C1CN(S(=O)(=O)c2cccc(Cl)c2[O-])C1 ZINC000906788857 712411833 /nfs/dbraw/zinc/41/18/33/712411833.db2.gz QETRTWQUEMLDJR-ZETCQYMHSA-N -2 0 319.766 1.387 20 0 DDADRL CCc1ccccc1-n1cc([O-])c(C(=O)N(CC)CC(=O)[O-])n1 ZINC000908951114 712894978 /nfs/dbraw/zinc/89/49/78/712894978.db2.gz PYVIQNMSEPDBTE-UHFFFAOYSA-N -2 0 317.345 1.687 20 0 DDADRL CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCCOP(=O)([O-])[O-] ZINC001183914271 743936383 /nfs/dbraw/zinc/93/63/83/743936383.db2.gz CRSHIOHBEPMPHR-GRYCIOLGSA-N -2 0 307.327 1.920 20 0 DDADRL C[C@@H](C(=O)NCCOP(=O)([O-])[O-])c1ccccc1Cl ZINC001184480025 744052466 /nfs/dbraw/zinc/05/24/66/744052466.db2.gz ZDICJTPMHJRGBL-MRVPVSSYSA-N -2 0 307.670 1.669 20 0 DDADRL COCCN(C(=O)c1ccccc1OP(=O)([O-])[O-])C(C)C ZINC001189877111 745013013 /nfs/dbraw/zinc/01/30/13/745013013.db2.gz GFJPVHWRJZJTMM-UHFFFAOYSA-N -2 0 317.278 1.655 20 0 DDADRL CC(F)(F)CNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189913928 745029204 /nfs/dbraw/zinc/02/92/04/745029204.db2.gz HOQTVEVUBNHIQQ-UHFFFAOYSA-N -2 0 323.273 1.017 20 0 DDADRL O=P([O-])([O-])OCCNc1cccc(COCC2CC2)n1 ZINC001168589741 751204891 /nfs/dbraw/zinc/20/48/91/751204891.db2.gz NSCXGAWPGQGZSO-UHFFFAOYSA-N -2 0 302.267 1.529 20 0 DDADRL O=C(Nc1ccccc1CO)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148925932 773652318 /nfs/dbraw/zinc/65/23/18/773652318.db2.gz DPVUYZWDPNNBPN-UHFFFAOYSA-N -2 0 323.326 1.384 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cc2[nH]ccc2c(F)c1 ZINC001155406465 862052597 /nfs/dbraw/zinc/05/25/97/862052597.db2.gz JUNZIGKPXUXSBO-UHFFFAOYSA-N -2 0 302.198 1.146 20 0 DDADRL O=P([O-])([O-])OCCNC(F)(F)c1ccnc(Cl)c1F ZINC001157787526 864140321 /nfs/dbraw/zinc/14/03/21/864140321.db2.gz LNFHJSIEZYJDIM-UHFFFAOYSA-N -2 0 320.591 1.622 20 0 DDADRL O=C([O-])c1cc(-c2ccc3c(c2)C(=O)[N-]S3(=O)=O)cs1 ZINC001206273089 872174037 /nfs/dbraw/zinc/17/40/37/872174037.db2.gz WKLOBGOSCLASJR-UHFFFAOYSA-N -2 0 309.324 1.545 20 0 DDADRL CC1(C)C(=O)CCC[C@@H]1Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21 ZINC001226885187 882701714 /nfs/dbraw/zinc/70/17/14/882701714.db2.gz DGKYWMYOBXIESK-ZETCQYMHSA-N -2 0 320.305 1.063 20 0 DDADRL Nc1cncc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c1 ZINC001210072616 875216907 /nfs/dbraw/zinc/21/69/07/875216907.db2.gz QWNWCHGVJRBQQA-UHFFFAOYSA-N -2 0 307.331 1.092 20 0 DDADRL Cc1cc(C)c(C)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001227505470 883050090 /nfs/dbraw/zinc/05/00/90/883050090.db2.gz FCKHHADQUFTIPD-MFKMUULPSA-N -2 0 310.302 1.054 20 0 DDADRL Cc1cc(C)c(C)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001227505468 883051233 /nfs/dbraw/zinc/05/12/33/883051233.db2.gz FCKHHADQUFTIPD-GWCFXTLKSA-N -2 0 310.302 1.054 20 0 DDADRL Cc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(C(C)C)c1 ZINC001229126249 883835680 /nfs/dbraw/zinc/83/56/80/883835680.db2.gz UMHTYSGAXJYPCF-LLVKDONJSA-N -2 0 318.262 1.494 20 0 DDADRL O=C([O-])C[C@H](C(=O)Oc1ccc2ccsc2c1)[C@H](O)C(=O)[O-] ZINC001233603767 887143396 /nfs/dbraw/zinc/14/33/96/887143396.db2.gz LYEDTRVHYKXTPL-CABZTGNLSA-N -2 0 324.310 1.343 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(Cn3cncn3)cn2)c1 ZINC001242160346 891354561 /nfs/dbraw/zinc/35/45/61/891354561.db2.gz IIYIXLGKFKVLBM-UHFFFAOYSA-N -2 0 324.296 1.785 20 0 DDADRL C[C@@H](CN(C)C(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000263152095 295881508 /nfs/dbraw/zinc/88/15/08/295881508.db2.gz HOBSOVKFJBHYNV-JTQLQIEISA-N -2 0 303.318 1.371 20 0 DDADRL O=C([O-])[C@@H]1CCCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000159935334 304104915 /nfs/dbraw/zinc/10/49/15/304104915.db2.gz NZHIPPHXWGHTBR-LBPRGKRZSA-N -2 0 315.329 1.657 20 0 DDADRL CCC(CC)([N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000094240556 193354642 /nfs/dbraw/zinc/35/46/42/193354642.db2.gz UJDWNZIBQVAMIM-UHFFFAOYSA-N -2 0 307.318 1.887 20 0 DDADRL O=C([O-])c1cccc([N-]S(=O)(=O)[C@@H]2CCCOC2)c1O ZINC000274877408 212002224 /nfs/dbraw/zinc/00/22/24/212002224.db2.gz BYNITZIFKOXTDO-MRVPVSSYSA-N -2 0 301.320 1.011 20 0 DDADRL COc1cncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1 ZINC000337144527 249363974 /nfs/dbraw/zinc/36/39/74/249363974.db2.gz WPZVPKDIQJRJTR-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000055311356 183978710 /nfs/dbraw/zinc/97/87/10/183978710.db2.gz GHQVJCVRFLFIIY-UHFFFAOYSA-N -2 0 313.335 1.437 20 0 DDADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000062947019 184261647 /nfs/dbraw/zinc/26/16/47/184261647.db2.gz TVFCERRUPQBNAQ-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000352436502 285049692 /nfs/dbraw/zinc/04/96/92/285049692.db2.gz HFNFWLJKXMNENH-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccc(F)c(F)c1[O-] ZINC000414380734 224330299 /nfs/dbraw/zinc/33/02/99/224330299.db2.gz HDPKAZLGWCTMDU-MRVPVSSYSA-N -2 0 307.318 1.981 20 0 DDADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1 ZINC000125482211 407389722 /nfs/dbraw/zinc/38/97/22/407389722.db2.gz WUBSILSVDUGNMC-SECBINFHSA-N -2 0 309.347 1.789 20 0 DDADRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC000111278876 407405176 /nfs/dbraw/zinc/40/51/76/407405176.db2.gz UEMIRFDYBKBKKH-UHFFFAOYSA-N -2 0 301.711 1.562 20 0 DDADRL O=C(NCc1ccc(-c2nn[nH]n2)cc1)c1c(O)cccc1F ZINC000185650406 407468906 /nfs/dbraw/zinc/46/89/06/407468906.db2.gz FRXHXFSIFWAMAT-UHFFFAOYSA-N -2 0 313.292 1.641 20 0 DDADRL COc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000314499078 164014501 /nfs/dbraw/zinc/01/45/01/164014501.db2.gz SSLDEUMXLORBRH-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL COCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000315096657 164018133 /nfs/dbraw/zinc/01/81/33/164018133.db2.gz BRNPJUYOHAGLDQ-UHFFFAOYSA-N -2 0 324.358 1.671 20 0 DDADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c[nH]1 ZINC000361998930 164154958 /nfs/dbraw/zinc/15/49/58/164154958.db2.gz GSUPHAMSENWRMP-UHFFFAOYSA-N -2 0 324.314 1.300 20 0 DDADRL Fc1ccccc1N=c1[n-]nc(SCc2nnn[n-]2)s1 ZINC000353249178 410875954 /nfs/dbraw/zinc/87/59/54/410875954.db2.gz LRFYKBPBSCDOAD-UHFFFAOYSA-N -2 0 309.355 1.648 20 0 DDADRL CCCc1nc(=NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)s[n-]1 ZINC000580565195 422942502 /nfs/dbraw/zinc/94/25/02/422942502.db2.gz YHQMFPMIIURGFI-RKDXNWHRSA-N -2 0 312.395 1.487 20 0 DDADRL CN(CCCC(=O)[O-])C(=O)N=c1[n-]nc(C(F)(F)F)s1 ZINC000417737206 420464092 /nfs/dbraw/zinc/46/40/92/420464092.db2.gz UTSNKEROKPQCJT-UHFFFAOYSA-N -2 0 312.273 1.307 20 0 DDADRL CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)[C@H]1CCCO1 ZINC000563068675 421450698 /nfs/dbraw/zinc/45/06/98/421450698.db2.gz PITVJLBXDAZWPO-NXEZZACHSA-N -2 0 303.336 1.214 20 0 DDADRL COCc1nc(=NCCc2ccc(C(=O)[O-])cc2OC)s[n-]1 ZINC000563213891 421472998 /nfs/dbraw/zinc/47/29/98/421472998.db2.gz NXYVWGSXFUAOPM-UHFFFAOYSA-N -2 0 323.374 1.468 20 0 DDADRL O=C(c1cc(F)c([O-])c(F)c1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000552545977 421590374 /nfs/dbraw/zinc/59/03/74/421590374.db2.gz JTIZJEWTRMCGGN-UHFFFAOYSA-N -2 0 324.287 1.514 20 0 DDADRL O=C([O-])CN(CC1CC1)S(=O)(=O)c1cc([O-])cc(F)c1 ZINC000630446079 422108659 /nfs/dbraw/zinc/10/86/59/422108659.db2.gz OXHKEQRRPSYAHM-UHFFFAOYSA-N -2 0 303.311 1.017 20 0 DDADRL Cc1c(C(=O)[O-])cccc1-n1[n-]c(=O)c2c(c1=O)CCCC2 ZINC000634633527 422515423 /nfs/dbraw/zinc/51/54/23/422515423.db2.gz YYLGYDVKUKSICG-UHFFFAOYSA-N -2 0 300.314 1.824 20 0 DDADRL O=C([O-])CC1(NC(=O)N=c2ncn(C3CCCCC3)[n-]2)CCC1 ZINC000649542932 424014824 /nfs/dbraw/zinc/01/48/24/424014824.db2.gz VDGCZYDBUPGFJD-UHFFFAOYSA-N -2 0 321.381 1.724 20 0 DDADRL C[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655574307 424576991 /nfs/dbraw/zinc/57/69/91/424576991.db2.gz OEYPHSZJMGPINS-INTQDDNPSA-N -2 0 320.345 1.645 20 0 DDADRL CN(CCCC(=O)[O-])C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000417756911 289611595 /nfs/dbraw/zinc/61/15/95/289611595.db2.gz SRZBJIKOERKPHD-UHFFFAOYSA-N -2 0 300.384 1.586 20 0 DDADRL Cc1n[n-]c(=NC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)s1 ZINC000555760416 303722642 /nfs/dbraw/zinc/72/26/42/303722642.db2.gz WLRHWGHAQXHHBQ-LLVKDONJSA-N -2 0 320.374 1.833 20 0 DDADRL O=C(NCc1n[nH]c(=O)[n-]1)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000427255729 307302913 /nfs/dbraw/zinc/30/29/13/307302913.db2.gz HLRUZWGCSCCXJI-UHFFFAOYSA-N -2 0 324.753 1.545 20 0 DDADRL O=C([O-])c1ccc(CNC(=O)[C@H](C(=O)[O-])C2CCCC2)cc1 ZINC000663020785 484606229 /nfs/dbraw/zinc/60/62/29/484606229.db2.gz FLKYWWJNTWQMOF-CYBMUJFWSA-N -2 0 305.330 1.892 20 0 DDADRL O=C([O-])[C@@H]1CN(C(=O)C2(C(=O)[O-])CCC2)C[C@H]1c1ccccc1 ZINC000663058505 484633910 /nfs/dbraw/zinc/63/39/10/484633910.db2.gz UNDUROTTZBWJPU-QWHCGFSZSA-N -2 0 317.341 1.568 20 0 DDADRL CC(C)C[C@@H](CNC(=O)N=c1ccc(OC(C)C)n[n-]1)C(=O)[O-] ZINC000424389780 528322733 /nfs/dbraw/zinc/32/27/33/528322733.db2.gz LSOSFAPNBHOTBM-NSHDSACASA-N -2 0 324.381 1.554 20 0 DDADRL O=C([O-])[C@H]1CCN(C(=O)c2ccc3c(=O)[nH]c(=S)[n-]c3c2)C1 ZINC000819275851 597505574 /nfs/dbraw/zinc/50/55/74/597505574.db2.gz ZRIFQWDASRUVCT-QMMMGPOBSA-N -2 0 319.342 1.171 20 0 DDADRL O=C([O-])[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000739545751 599727296 /nfs/dbraw/zinc/72/72/96/599727296.db2.gz BSPYIVSAIAOAKN-OLZOCXBDSA-N -2 0 319.338 1.365 20 0 DDADRL CCC/C=C\C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736971856 600272798 /nfs/dbraw/zinc/27/27/98/600272798.db2.gz CNYQIUNGWUKFKU-PLNGDYQASA-N -2 0 303.361 1.608 20 0 DDADRL CC(=O)c1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])cc1 ZINC000316088776 600514107 /nfs/dbraw/zinc/51/41/07/600514107.db2.gz AJYPBZTZJRVSES-UHFFFAOYSA-N -2 0 320.326 1.783 20 0 DDADRL O=C([O-])CNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000819527083 600824578 /nfs/dbraw/zinc/82/45/78/600824578.db2.gz LXKCKLKFUFNBTN-UHFFFAOYSA-N -2 0 308.515 1.623 20 0 DDADRL CC(C)c1cccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c1 ZINC000827134146 600986269 /nfs/dbraw/zinc/98/62/69/600986269.db2.gz GFVVTBUATCWWJN-UHFFFAOYSA-N -2 0 324.362 1.287 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])no1 ZINC000832899889 601361876 /nfs/dbraw/zinc/36/18/76/601361876.db2.gz ULIBHAGGXGZSMV-UHFFFAOYSA-N -2 0 300.267 1.621 20 0 DDADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc2[nH]nnc2c1 ZINC000833348275 601405551 /nfs/dbraw/zinc/40/55/51/601405551.db2.gz REFNNLCAXASJMH-UHFFFAOYSA-N -2 0 324.343 1.518 20 0 DDADRL C/C(=C\COC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC000825780714 601410307 /nfs/dbraw/zinc/41/03/07/601410307.db2.gz HKTYBVCOJTXQFL-VQHVLOKHSA-N -2 0 313.331 1.246 20 0 DDADRL Cc1oc(S(=O)(=O)[N-]c2ccc(F)nc2)cc1C(=O)[O-] ZINC000833030482 602157674 /nfs/dbraw/zinc/15/76/74/602157674.db2.gz YVXNWAOPESOLMP-UHFFFAOYSA-N -2 0 300.267 1.621 20 0 DDADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)nc1 ZINC000833294943 602158004 /nfs/dbraw/zinc/15/80/04/602158004.db2.gz NWZIMVQAUUPBCO-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL CN(C[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)C1)C(=O)[O-] ZINC000739665667 602540156 /nfs/dbraw/zinc/54/01/56/602540156.db2.gz MVMHIPPVPBHCKN-VIFPVBQESA-N -2 0 322.390 1.829 20 0 DDADRL O=C([O-])N1CC[C@@H](C(=O)[N-]S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000740456932 602959696 /nfs/dbraw/zinc/95/96/96/602959696.db2.gz LPTVQITUHPNGRW-YPUOHESYSA-N -2 0 324.358 1.103 20 0 DDADRL CN(C(=O)[O-])[C@@H]1CCN(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC000827865796 603606022 /nfs/dbraw/zinc/60/60/22/603606022.db2.gz WUOCGIDNNLBGJJ-MRVPVSSYSA-N -2 0 300.261 1.495 20 0 DDADRL CC(C)(CNC(=O)[O-])C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000823969874 603653706 /nfs/dbraw/zinc/65/37/06/603653706.db2.gz WSUQNRGKFPRLOT-UHFFFAOYSA-N -2 0 320.305 1.262 20 0 DDADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C1(NC(=O)[O-])CC1 ZINC000828422539 604425077 /nfs/dbraw/zinc/42/50/77/604425077.db2.gz UMJIIRJAXRJTKL-UHFFFAOYSA-N -2 0 322.346 1.156 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])nn1C ZINC000833746773 604928778 /nfs/dbraw/zinc/92/87/78/604928778.db2.gz IDAROQXSJQTZQD-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2nocc2C)cc1C(=O)[O-] ZINC000832468489 605013643 /nfs/dbraw/zinc/01/36/43/605013643.db2.gz FNPUAJYSBLIVQI-UHFFFAOYSA-N -2 0 312.303 1.491 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2scc(C(=O)[O-])c2C)cn1 ZINC000833683753 605125747 /nfs/dbraw/zinc/12/57/47/605125747.db2.gz VYLQYZVTJPFGPY-UHFFFAOYSA-N -2 0 315.376 1.772 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)C1 ZINC000834059984 605309717 /nfs/dbraw/zinc/30/97/17/605309717.db2.gz MQEXWTNWOVTGPA-SDDRHHMPSA-N -2 0 312.366 1.526 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)C[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000834065727 605689827 /nfs/dbraw/zinc/68/98/27/605689827.db2.gz PIZCPZMFVUIRSI-NSHDSACASA-N -2 0 322.317 1.621 20 0 DDADRL O=C([O-])NC1(CC(=O)NCCc2ccc(C(=O)[O-])cc2)CCC1 ZINC000834155934 606031855 /nfs/dbraw/zinc/03/18/55/606031855.db2.gz SKMJWIBBCDRSCX-UHFFFAOYSA-N -2 0 320.345 1.624 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000834247617 606033904 /nfs/dbraw/zinc/03/39/04/606033904.db2.gz ZCGYLHNGPCUNRG-LBPRGKRZSA-N -2 0 306.318 1.391 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000834173031 606035018 /nfs/dbraw/zinc/03/50/18/606035018.db2.gz OOXVKGUEDUOWRO-HBNTYKKESA-N -2 0 310.350 1.136 20 0 DDADRL O=C([O-])CN(C(=O)C[C@@H](NC(=O)[O-])c1ccccc1)C1CC1 ZINC000834067252 606048169 /nfs/dbraw/zinc/04/81/69/606048169.db2.gz YTMRVQZTCVSDFK-GFCCVEGCSA-N -2 0 306.318 1.461 20 0 DDADRL O=C([O-])CC1(NC(=O)C[C@H]2CCCN2C(=O)[O-])CCCCC1 ZINC000834061104 606052372 /nfs/dbraw/zinc/05/23/72/606052372.db2.gz OHCXISTZVAVTSK-LLVKDONJSA-N -2 0 312.366 1.813 20 0 DDADRL O=C([O-])/C=C\c1ccc(NC(=O)[C@H]2COCCN2C(=O)[O-])cc1 ZINC000834061323 606055717 /nfs/dbraw/zinc/05/57/17/606055717.db2.gz SYZBSAJYUHAXEJ-GCLPIYDQSA-N -2 0 320.301 1.102 20 0 DDADRL O=C([O-])COc1cccc(NC(=O)[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000834064688 606056273 /nfs/dbraw/zinc/05/62/73/606056273.db2.gz FGYXVEMLGBGAOL-VIFPVBQESA-N -2 0 308.290 1.088 20 0 DDADRL O=C([O-])CSCc1cccc(NC(=O)C2(NC(=O)[O-])CC2)c1 ZINC000834064971 606060680 /nfs/dbraw/zinc/06/06/80/606060680.db2.gz HYPJQNSANPKARN-UHFFFAOYSA-N -2 0 324.358 1.743 20 0 DDADRL CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000817880957 702507602 /nfs/dbraw/zinc/50/76/02/702507602.db2.gz IGDJKNAQYUWECC-JTQLQIEISA-N -2 0 308.334 1.346 20 0 DDADRL CCC(C)(C)[C@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000843293369 702855136 /nfs/dbraw/zinc/85/51/36/702855136.db2.gz GFGWUPFJEZLDPU-NKWVEPMBSA-N -2 0 305.318 1.746 20 0 DDADRL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)[C@H](C)C(F)(F)F ZINC000819090110 704068655 /nfs/dbraw/zinc/06/86/55/704068655.db2.gz RTAWVGSDAGSGLD-RNJXMRFFSA-N -2 0 305.318 1.602 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)CCc1ccccc1 ZINC000863954343 706045604 /nfs/dbraw/zinc/04/56/04/706045604.db2.gz WLGFOEANYDRYEW-LBPRGKRZSA-N -2 0 313.375 1.032 20 0 DDADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)C1CCCCC1)C1CCCC1 ZINC000863954358 706045767 /nfs/dbraw/zinc/04/57/67/706045767.db2.gz WTCQQRNILWKYFX-LBPRGKRZSA-N -2 0 317.407 1.656 20 0 DDADRL O=S(=O)(C[C@@H]1CCCOC1)[N-]c1cc(F)cc(F)c1[O-] ZINC000882744767 707770317 /nfs/dbraw/zinc/77/03/17/707770317.db2.gz PLXNVXCGIKLWTB-MRVPVSSYSA-N -2 0 307.318 1.839 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)C=C1CCSCC1 ZINC000910184949 709801563 /nfs/dbraw/zinc/80/15/63/709801563.db2.gz SOCXHMAABDCOQL-WDEREUQCSA-N -2 0 313.375 1.216 20 0 DDADRL Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c(C)c1 ZINC000910186006 709801913 /nfs/dbraw/zinc/80/19/13/709801913.db2.gz MAJGNVKFOWMPOL-AAEUAGOBSA-N -2 0 305.330 1.693 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@H]2Cc3ccccc32)C1 ZINC000910192450 709805888 /nfs/dbraw/zinc/80/58/88/709805888.db2.gz QJERJRAMEONPOE-KGYLQXTDSA-N -2 0 303.314 1.103 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000901638568 710104268 /nfs/dbraw/zinc/10/42/68/710104268.db2.gz CWGDIFPXOJCGAY-IJLUTSLNSA-N -2 0 303.314 1.702 20 0 DDADRL O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000911636055 710894430 /nfs/dbraw/zinc/89/44/30/710894430.db2.gz MGFJTESLSYWHOB-VHSXEESVSA-N -2 0 317.700 1.235 20 0 DDADRL O=C([O-])c1ccn(CCCC(=O)NOCCC(F)(F)F)n1 ZINC000911805683 711003476 /nfs/dbraw/zinc/00/34/76/711003476.db2.gz OWISLPCGEMSOQM-UHFFFAOYSA-N -2 0 309.244 1.362 20 0 DDADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)CCc1ccccc1F ZINC000905999025 712215852 /nfs/dbraw/zinc/21/58/52/712215852.db2.gz GVOCXKDYPQLMGC-UHFFFAOYSA-N -2 0 311.281 1.008 20 0 DDADRL CC(C)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC000906886631 712428126 /nfs/dbraw/zinc/42/81/26/712428126.db2.gz PIJSPJQSENEAGM-NSHDSACASA-N -2 0 313.375 1.757 20 0 DDADRL O=C([O-])[C@]1(C(=O)[N-]OCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000907850067 712635648 /nfs/dbraw/zinc/63/56/48/712635648.db2.gz KVPMHWDEVXGIBR-BXKDBHETSA-N -2 0 303.236 1.855 20 0 DDADRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)nc1C ZINC001185869068 744303321 /nfs/dbraw/zinc/30/33/21/744303321.db2.gz JFBGRFOAAKXPCJ-UHFFFAOYSA-N -2 0 321.358 1.901 20 0 DDADRL Cc1ncncc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186142849 744349607 /nfs/dbraw/zinc/34/96/07/744349607.db2.gz GXOPHLXEXATRCM-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL C[C@@H](NC(=O)c1ccccc1OP(=O)([O-])[O-])c1ccno1 ZINC001189905198 745023060 /nfs/dbraw/zinc/02/30/60/745023060.db2.gz OSLYUNOFYHZBLQ-MRVPVSSYSA-N -2 0 312.218 1.637 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccno2)c(F)cc1F ZINC001195194122 746547242 /nfs/dbraw/zinc/54/72/42/746547242.db2.gz BILJFJQFHMROJQ-UHFFFAOYSA-N -2 0 304.230 1.452 20 0 DDADRL CC(C)(C)c1nc(Cl)cc(NCCOP(=O)([O-])[O-])n1 ZINC001168590033 751206600 /nfs/dbraw/zinc/20/66/00/751206600.db2.gz SUNMKKHJRDKYPI-UHFFFAOYSA-N -2 0 309.690 1.949 20 0 DDADRL COC(=O)c1c(C)c(OC)ccc1NCCOP(=O)([O-])[O-] ZINC001168591710 751220929 /nfs/dbraw/zinc/22/09/29/751220929.db2.gz XENTWDQJEIIYGV-UHFFFAOYSA-N -2 0 319.250 1.311 20 0 DDADRL Cc1nc2ccc(NCCOP(=O)([O-])[O-])cc2c(=O)o1 ZINC001168592179 751226686 /nfs/dbraw/zinc/22/66/86/751226686.db2.gz LTOSBYZHLZCFNF-UHFFFAOYSA-N -2 0 300.207 1.018 20 0 DDADRL CC(C)c1ccc(CCC(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001143261638 861443385 /nfs/dbraw/zinc/44/33/85/861443385.db2.gz UTIYDPSRFYGOTH-UHFFFAOYSA-N -2 0 315.306 1.968 20 0 DDADRL C[C@H](CCOC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1ccccc1 ZINC001224995458 881630619 /nfs/dbraw/zinc/63/06/19/881630619.db2.gz SBPHMFADVANDHR-QKCSRTOESA-N -2 0 324.329 1.260 20 0 DDADRL O=P([O-])([O-])OCCNc1cc(Cl)nc2ncccc12 ZINC001157787518 864140206 /nfs/dbraw/zinc/14/02/06/864140206.db2.gz LGZQIANWQYJAAD-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL CC[C@@H](C)c1nc2[nH]ccc2c(NCCOP(=O)([O-])[O-])n1 ZINC001157795706 864149185 /nfs/dbraw/zinc/14/91/85/864149185.db2.gz RUHMEZDEZKNVMP-MRVPVSSYSA-N -2 0 314.282 1.993 20 0 DDADRL Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1Cl ZINC001225864200 882076090 /nfs/dbraw/zinc/07/60/90/882076090.db2.gz XAQFIZAIIUQDHW-LDYMZIIASA-N -2 0 316.693 1.090 20 0 DDADRL O=P([O-])([O-])c1ccc(NC[C@@H]2Cc3ccccc3O2)cc1 ZINC001163866390 868764566 /nfs/dbraw/zinc/76/45/66/868764566.db2.gz OKUQILUDMWKMSQ-ZDUSSCGKSA-N -2 0 305.270 1.905 20 0 DDADRL O=C([O-])c1cnc(F)c(Nc2cccc(S(=O)(=O)[O-])c2)c1 ZINC001215128720 876578030 /nfs/dbraw/zinc/57/80/30/876578030.db2.gz ZHNXJEIWIOXNGA-UHFFFAOYSA-N -2 0 312.278 1.909 20 0 DDADRL O=S(=O)([O-])c1ccc([O-])c(-c2nc(-c3ccncc3)no2)c1 ZINC001215454409 876714719 /nfs/dbraw/zinc/71/47/19/876714719.db2.gz YMSCFRYSOIUFGU-UHFFFAOYSA-N -2 0 319.298 1.751 20 0 DDADRL CNC(=O)c1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cn1 ZINC001239845356 890757520 /nfs/dbraw/zinc/75/75/20/890757520.db2.gz ZSBOTPUYNWULMH-UHFFFAOYSA-N -2 0 300.270 1.505 20 0 DDADRL CS(=O)(=O)c1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cn1 ZINC001240808799 891060931 /nfs/dbraw/zinc/06/09/31/891060931.db2.gz ZEEYLUVMSJEVMI-UHFFFAOYSA-N -2 0 321.310 1.549 20 0 DDADRL O=P([O-])([O-])c1ccc(-c2cccc(N3CCOCC3)c2)cc1 ZINC001241959963 891311269 /nfs/dbraw/zinc/31/12/69/891311269.db2.gz VYQUEZPSVZTUKT-UHFFFAOYSA-N -2 0 319.297 1.993 20 0 DDADRL COC(=O)c1ccnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242159587 891354793 /nfs/dbraw/zinc/35/47/93/891354793.db2.gz NDVWWODYMMGWIB-UHFFFAOYSA-N -2 0 301.254 1.932 20 0 DDADRL CN(C)C(=O)c1cncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242161163 891356350 /nfs/dbraw/zinc/35/63/50/891356350.db2.gz YMVGBOWYLMWHCA-UHFFFAOYSA-N -2 0 315.285 1.242 20 0 DDADRL COCCn1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1=O ZINC001242163569 891356996 /nfs/dbraw/zinc/35/69/96/891356996.db2.gz AECBAFQNAZBKCY-UHFFFAOYSA-N -2 0 317.297 1.558 20 0 DDADRL O=S(=O)([O-])c1ccc(Cl)c([N-]S(=O)(=O)C(F)F)c1 ZINC001259958763 898982108 /nfs/dbraw/zinc/98/21/08/898982108.db2.gz SUYAETFBGLUVHT-UHFFFAOYSA-N -2 0 321.710 1.551 20 0 DDADRL Cc1ncnc(C)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184017 899075504 /nfs/dbraw/zinc/07/55/04/899075504.db2.gz NNAMQUFSBCDCHU-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL CCc1nccnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260222224 899096641 /nfs/dbraw/zinc/09/66/41/899096641.db2.gz RNODRFOOPIEDLZ-UHFFFAOYSA-N -2 0 307.331 1.538 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1 ZINC000092890049 185348142 /nfs/dbraw/zinc/34/81/42/185348142.db2.gz JOFLLMMZSIVMKU-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1)C(=O)[O-] ZINC000350728435 284250108 /nfs/dbraw/zinc/25/01/08/284250108.db2.gz BTVQIJRKWJGSAK-VIFPVBQESA-N -2 0 309.347 1.474 20 0 DDADRL Cc1cccc(N(C)C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000172750442 162299326 /nfs/dbraw/zinc/29/93/26/162299326.db2.gz ZSFNZIXIMGNITQ-UHFFFAOYSA-N -2 0 324.340 1.917 20 0 DDADRL COC(=O)CCS(=O)(=O)[N-]c1cc(F)cc(Cl)c1[O-] ZINC000167720540 408817867 /nfs/dbraw/zinc/81/78/67/408817867.db2.gz RNMSDXSJRLFJCQ-UHFFFAOYSA-N -2 0 311.718 1.490 20 0 DDADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cncnc2)cc1 ZINC000231773310 163351058 /nfs/dbraw/zinc/35/10/58/163351058.db2.gz AROHOSISISKKDE-UHFFFAOYSA-N -2 0 307.331 1.295 20 0 DDADRL CC(C)O[N-]C(=O)CNC(=O)c1cnc2ccccc2c1O ZINC000295518528 409328810 /nfs/dbraw/zinc/32/88/10/409328810.db2.gz IHFARDUJVWDVAH-UHFFFAOYSA-N -2 0 303.318 1.126 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)nn1C ZINC000314048923 164013313 /nfs/dbraw/zinc/01/33/13/164013313.db2.gz BBYPDURMJHPYQA-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL O=C([O-])c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)nc1 ZINC000647730774 423018576 /nfs/dbraw/zinc/01/85/76/423018576.db2.gz PGEYFLSNIDVHFM-ICCXJUOJSA-N -2 0 318.329 1.638 20 0 DDADRL O=c1[n-]c(SCCCCCSc2n[nH]c(=O)[n-]2)n[nH]1 ZINC000446072329 230229719 /nfs/dbraw/zinc/22/97/19/230229719.db2.gz TYUQSDWQVAJIIW-UHFFFAOYSA-N -2 0 302.385 1.389 20 0 DDADRL CCn1nccc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000471908333 420955905 /nfs/dbraw/zinc/95/59/05/420955905.db2.gz DWNXKZARRQEJGO-UHFFFAOYSA-N -2 0 309.347 1.331 20 0 DDADRL CCn1nccc1S(=O)(=O)[N-]c1ccc(C)cc1C(=O)[O-] ZINC000471918018 420956132 /nfs/dbraw/zinc/95/61/32/420956132.db2.gz JFXFRDWBANXQAX-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL O=C([O-])[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2[O-])C1 ZINC000630440474 422104385 /nfs/dbraw/zinc/10/43/85/422104385.db2.gz CALCKCWGFWELIX-ZETCQYMHSA-N -2 0 305.739 1.141 20 0 DDADRL CC1(C)C[C@H](S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)CO1 ZINC000629297236 422590682 /nfs/dbraw/zinc/59/06/82/422590682.db2.gz URPUYBDBOOWWCB-QMMMGPOBSA-N -2 0 315.347 1.400 20 0 DDADRL C[C@H](CNC(=O)N=c1[n-]nc(-c2ccsc2)s1)C(=O)[O-] ZINC000653537487 423518353 /nfs/dbraw/zinc/51/83/53/423518353.db2.gz XPRSNQAUPOFAJO-ZCFIWIBFSA-N -2 0 312.376 1.531 20 0 DDADRL O=C([O-])c1ccc(CN=c2[n-]nc(C3CCOCC3)s2)o1 ZINC000649401286 423857095 /nfs/dbraw/zinc/85/70/95/423857095.db2.gz LUPPWGAOFCQXKQ-UHFFFAOYSA-N -2 0 309.347 1.757 20 0 DDADRL O=C([O-])CCCCCNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659762685 424229660 /nfs/dbraw/zinc/22/96/60/424229660.db2.gz OOKFLFIVAOAKIS-UHFFFAOYSA-N -2 0 309.318 1.525 20 0 DDADRL C[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655574306 424578098 /nfs/dbraw/zinc/57/80/98/424578098.db2.gz OEYPHSZJMGPINS-DVVUODLYSA-N -2 0 320.345 1.645 20 0 DDADRL C[C@H](CNC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(=O)[O-] ZINC000655882578 424690996 /nfs/dbraw/zinc/69/09/96/424690996.db2.gz JMFGSKYFTWPSRG-DOLQZWNJSA-N -2 0 300.355 1.142 20 0 DDADRL CC(C)C[C@H](CNC(=O)N1CCC[C@H](CC(=O)[O-])C1)C(=O)[O-] ZINC000572992555 304568098 /nfs/dbraw/zinc/56/80/98/304568098.db2.gz RGKFVCLGXOGJRK-VXGBXAGGSA-N -2 0 314.382 1.630 20 0 DDADRL Cn1ncc([N-]S(=O)(=O)c2ccc(F)cc2F)c1C(=O)[O-] ZINC000515407390 302774686 /nfs/dbraw/zinc/77/46/86/302774686.db2.gz TWLUKRHIWCBFHR-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL C[C@H](CC(C)(C)[N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000547639664 307741610 /nfs/dbraw/zinc/74/16/10/307741610.db2.gz NVUIRRKCMIDTIH-RQJHMYQMSA-N -2 0 305.318 1.746 20 0 DDADRL CCC1CCC([N-]S(=O)(=O)CC(F)(F)F)(C(=O)[O-])CC1 ZINC000564922068 308012370 /nfs/dbraw/zinc/01/23/70/308012370.db2.gz GZLVXXLVHSQBPX-UHFFFAOYSA-N -2 0 317.329 1.892 20 0 DDADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000663132026 484693116 /nfs/dbraw/zinc/69/31/16/484693116.db2.gz IGVAMRIFZRXCCH-OLZOCXBDSA-N -2 0 319.357 1.944 20 0 DDADRL O=C([O-])[C@H]1CN(C(=O)C2(C(=O)[O-])CCC2)Cc2ccccc21 ZINC000663133533 484694440 /nfs/dbraw/zinc/69/44/40/484694440.db2.gz RWRSXXDXUNZVCE-LBPRGKRZSA-N -2 0 303.314 1.452 20 0 DDADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)n1 ZINC000663139499 484698202 /nfs/dbraw/zinc/69/82/02/484698202.db2.gz HWCUQZHYUIBBCF-LLVKDONJSA-N -2 0 323.349 1.532 20 0 DDADRL CC/C=C(/C)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736948570 599912699 /nfs/dbraw/zinc/91/26/99/599912699.db2.gz NFYYTHNXISCNOB-WMZJFQQLSA-N -2 0 311.359 1.687 20 0 DDADRL Cn1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)n1 ZINC000739038757 599914442 /nfs/dbraw/zinc/91/44/42/599914442.db2.gz MUXMFOYTCBCSDD-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n(C)n1 ZINC000737252666 600246630 /nfs/dbraw/zinc/24/66/30/600246630.db2.gz OGUHDFVSSNMSDJ-UHFFFAOYSA-N -2 0 323.374 1.410 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n(C)n1 ZINC000737252719 600246798 /nfs/dbraw/zinc/24/67/98/600246798.db2.gz RHSPSOCLCTUMFG-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL COc1ccc(C(=O)[O-])c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000737932693 600669001 /nfs/dbraw/zinc/66/90/01/600669001.db2.gz XUQQBBAZUCNOHH-MNOVXSKESA-N -2 0 319.313 1.999 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)no1 ZINC000830223959 601363498 /nfs/dbraw/zinc/36/34/98/601363498.db2.gz BFWWOBYCGYPRRZ-UHFFFAOYSA-N -2 0 310.331 1.665 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccccc1O ZINC000833345875 601830866 /nfs/dbraw/zinc/83/08/66/601830866.db2.gz HJVFDDSVTSRWSW-UHFFFAOYSA-N -2 0 300.317 1.348 20 0 DDADRL CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)CC(=O)[O-])c1 ZINC000830140258 602266703 /nfs/dbraw/zinc/26/67/03/602266703.db2.gz HTAUIDCKJKXHTM-QMMMGPOBSA-N -2 0 315.347 1.235 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000737788455 602748094 /nfs/dbraw/zinc/74/80/94/602748094.db2.gz VWHZOLKCYRYESC-LLVKDONJSA-N -2 0 320.411 1.259 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC000834060943 605310409 /nfs/dbraw/zinc/31/04/09/605310409.db2.gz YQJLNMKFNAWVBR-VHSXEESVSA-N -2 0 316.379 1.143 20 0 DDADRL O=C([O-])NC[C@H]1CCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000832590246 605555348 /nfs/dbraw/zinc/55/53/48/605555348.db2.gz QKVXGGNBDJIUNI-SSDOTTSWSA-N -2 0 316.716 1.914 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])cc1 ZINC000834065299 605690075 /nfs/dbraw/zinc/69/00/75/605690075.db2.gz JYBZYPOCKHNVIQ-NEPJUHHUSA-N -2 0 322.317 1.525 20 0 DDADRL O=C([O-])[C@H](Cc1ccccc1)NC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000833988167 606029345 /nfs/dbraw/zinc/02/93/45/606029345.db2.gz OODLKMAPPGCUNR-OLZOCXBDSA-N -2 0 320.345 1.331 20 0 DDADRL O=C([O-])NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CCCC1 ZINC000834152533 606029981 /nfs/dbraw/zinc/02/99/81/606029981.db2.gz RKTVBRSFCRUZSH-GFCCVEGCSA-N -2 0 320.345 1.379 20 0 DDADRL COc1ccc2c(ccn2CC(=O)[N-]OC[C@H](C)NC(=O)[O-])c1 ZINC000833890713 606068564 /nfs/dbraw/zinc/06/85/64/606068564.db2.gz AITUSGWSDOIWCB-JTQLQIEISA-N -2 0 321.333 1.354 20 0 DDADRL CON(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)C1CCCC1 ZINC000757622998 700666317 /nfs/dbraw/zinc/66/63/17/700666317.db2.gz XNPKBTDXPVMFFR-UHFFFAOYSA-N -2 0 318.333 1.691 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000846714021 703322982 /nfs/dbraw/zinc/32/29/82/703322982.db2.gz WRBVLHMWNQNPLJ-CIUDSAMLSA-N -2 0 324.299 1.154 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1csc(-c2ccc(F)cc2)n1 ZINC000820287979 704253307 /nfs/dbraw/zinc/25/33/07/704253307.db2.gz GREPAQSCQLDNKO-UHFFFAOYSA-N -2 0 321.293 1.336 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000863952123 706044606 /nfs/dbraw/zinc/04/46/06/706044606.db2.gz KOPIHTCZEUYHHS-MNOVXSKESA-N -2 0 311.359 1.301 20 0 DDADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000863953099 706044963 /nfs/dbraw/zinc/04/49/63/706044963.db2.gz NGIZBYLXKORHOB-UHFFFAOYSA-N -2 0 317.338 1.417 20 0 DDADRL CSc1ccc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])cc1 ZINC000863959494 706046776 /nfs/dbraw/zinc/04/67/76/706046776.db2.gz GVGYNOCZFAZBGY-UHFFFAOYSA-N -2 0 303.361 1.078 20 0 DDADRL Cc1ccsc1S(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCC1 ZINC000863960853 706047163 /nfs/dbraw/zinc/04/71/63/706047163.db2.gz BKTOLZXPOIUPPD-UHFFFAOYSA-N -2 0 317.388 1.506 20 0 DDADRL CCOC[C@H](C(=O)[O-])N(C)C(=O)NCc1ccc(O)c(F)c1 ZINC000909050112 712926076 /nfs/dbraw/zinc/92/60/76/712926076.db2.gz XGHXGWIMVUOJLJ-LLVKDONJSA-N -2 0 314.313 1.162 20 0 DDADRL O=C([O-])c1ccccc1-n1[n-]c2c(c1=O)CC1(CC2)OCCO1 ZINC000887287023 709007940 /nfs/dbraw/zinc/00/79/40/709007940.db2.gz JFZLLQUZFUMBPC-LLVKDONJSA-N -2 0 316.313 1.631 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc(C3CC3)c2)C1 ZINC000910181968 709800163 /nfs/dbraw/zinc/80/01/63/709800163.db2.gz GAGQYAKAPUMMOT-KBPBESRZSA-N -2 0 317.341 1.954 20 0 DDADRL C[C@@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccccc1 ZINC000910183062 709800985 /nfs/dbraw/zinc/80/09/85/709800985.db2.gz KQRDGWZTSDWYEW-RTXFEEFZSA-N -2 0 305.330 1.567 20 0 DDADRL C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])C(F)(F)F ZINC000910182932 709801026 /nfs/dbraw/zinc/80/10/26/709801026.db2.gz JYJQKXYUFXKKIE-CSMHCCOUSA-N -2 0 311.256 1.351 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2C[C@@H]2C2CCCC2)C1 ZINC000910185156 709801748 /nfs/dbraw/zinc/80/17/48/709801748.db2.gz UWUUBBYXYGNWHA-FDYHWXHSSA-N -2 0 309.362 1.589 20 0 DDADRL CCc1ccccc1CC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910185012 709801753 /nfs/dbraw/zinc/80/17/53/709801753.db2.gz UEUWYWSYTOKQOT-KBPBESRZSA-N -2 0 319.357 1.568 20 0 DDADRL C[C@H](CC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000910186624 709802544 /nfs/dbraw/zinc/80/25/44/709802544.db2.gz SUXJKRDUZCXILZ-MRVWCRGKSA-N -2 0 319.357 1.957 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2ccnc(C)n2)cc1C(=O)[O-] ZINC001184659600 744079117 /nfs/dbraw/zinc/07/91/17/744079117.db2.gz KJBVQPBLAHBBHI-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)N[C@H]2[CH]CC=C2)ccc1Cl ZINC001188342901 744692833 /nfs/dbraw/zinc/69/28/33/744692833.db2.gz QGIPVMJKCQRNCH-MRVPVSSYSA-N -2 0 300.743 1.849 20 0 DDADRL CCCOc1ccccc1C(=O)NCCOP(=O)([O-])[O-] ZINC001191006592 745401760 /nfs/dbraw/zinc/40/17/60/745401760.db2.gz VSMHLKIDEIMZLB-UHFFFAOYSA-N -2 0 303.251 1.315 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)N[C@@H]2[CH]CC=C2)c(Cl)cc1F ZINC001194040787 746262971 /nfs/dbraw/zinc/26/29/71/746262971.db2.gz QHQUPKDZRUMTDT-ZETCQYMHSA-N -2 0 318.733 1.988 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cn(CCF)cn1 ZINC001198747437 747588918 /nfs/dbraw/zinc/58/89/18/747588918.db2.gz ZAWUMYBQLSWLDJ-UHFFFAOYSA-N -2 0 313.310 1.352 20 0 DDADRL C[C@@H](CCOC(=O)[C@H](O)COP(=O)([O-])[O-])c1ccccc1 ZINC001224995606 881630145 /nfs/dbraw/zinc/63/01/45/881630145.db2.gz VAICYMHAVKLECO-CMPLNLGQSA-N -2 0 318.262 1.194 20 0 DDADRL O=P([O-])([O-])OCCNc1ccc(-c2ccsc2)nn1 ZINC001157795844 864149097 /nfs/dbraw/zinc/14/90/97/864149097.db2.gz NZKPLPPHQVBMJS-UHFFFAOYSA-N -2 0 301.264 1.726 20 0 DDADRL CC(C)(C)c1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001225244890 881739027 /nfs/dbraw/zinc/73/90/27/881739027.db2.gz SPHMWVAHVBKWQE-AAEUAGOBSA-N -2 0 324.329 1.426 20 0 DDADRL COc1cc(C(N)=O)ccc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001222559667 880560150 /nfs/dbraw/zinc/56/01/50/880560150.db2.gz VUOQUNXARGLAEW-UHFFFAOYSA-N -2 0 315.281 1.858 20 0 DDADRL O=C([O-])C[C@@H](C(=O)Oc1ccc2sccc2c1)[C@@H](O)C(=O)[O-] ZINC001229121381 883829349 /nfs/dbraw/zinc/82/93/49/883829349.db2.gz CBABFEINLJSBNX-BXKDBHETSA-N -2 0 324.310 1.343 20 0 DDADRL CCOCC(COCC)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234333544 887871959 /nfs/dbraw/zinc/87/19/59/887871959.db2.gz XAWYFYNZXOAGKO-UHFFFAOYSA-N -2 0 320.278 1.979 20 0 DDADRL COCc1nc(OC)cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242160005 891354317 /nfs/dbraw/zinc/35/43/17/891354317.db2.gz AUZMGLGVKLXLHY-UHFFFAOYSA-N -2 0 318.285 1.695 20 0 DDADRL O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000013469615 352148534 /nfs/dbraw/zinc/14/85/34/352148534.db2.gz XYKLOOPNRKJLAP-UWVGGRQHSA-N -2 0 306.274 1.906 20 0 DDADRL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccc(O)cc1O ZINC000109209655 353956637 /nfs/dbraw/zinc/95/66/37/353956637.db2.gz ZQQBWCJZVNFZCH-UHFFFAOYSA-N -2 0 313.269 1.693 20 0 DDADRL C[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000314321584 354484756 /nfs/dbraw/zinc/48/47/56/354484756.db2.gz YRJJQBISJRAKAP-BQBZGAKWSA-N -2 0 320.298 1.121 20 0 DDADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C)nc2)c1 ZINC000349988529 284127960 /nfs/dbraw/zinc/12/79/60/284127960.db2.gz DYKPCPVSIXNIHD-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000275025449 212080348 /nfs/dbraw/zinc/08/03/48/212080348.db2.gz PGGVPWUYLSVOTP-SNVBAGLBSA-N -2 0 321.301 1.066 20 0 DDADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c(C)n1 ZINC000094663947 193390429 /nfs/dbraw/zinc/39/04/29/193390429.db2.gz BKMMPOCFZRKAQT-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CCOc1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000021518941 182277931 /nfs/dbraw/zinc/27/79/31/182277931.db2.gz DZFMZJUCKIOPSZ-UHFFFAOYSA-N -2 0 310.331 1.912 20 0 DDADRL O=C([O-])c1cccc(C(=O)NC2(c3nnn[n-]3)CCCC2)c1 ZINC000567987765 304259411 /nfs/dbraw/zinc/25/94/11/304259411.db2.gz LFKJKACVJXEGCK-UHFFFAOYSA-N -2 0 301.306 1.097 20 0 DDADRL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000417425131 533452311 /nfs/dbraw/zinc/45/23/11/533452311.db2.gz XNCGKMZRKJVNLN-BYPYZUCNSA-N -2 0 315.244 1.385 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2cnn(C)c2)sc1C(=O)[O-] ZINC000035737945 406974527 /nfs/dbraw/zinc/97/45/27/406974527.db2.gz YFHCPMOUQFCNQM-UHFFFAOYSA-N -2 0 301.349 1.289 20 0 DDADRL CCc1ncc(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)s1 ZINC000262503686 407851102 /nfs/dbraw/zinc/85/11/02/407851102.db2.gz ZOFJYFAHRMPGLZ-UHFFFAOYSA-N -2 0 318.420 1.627 20 0 DDADRL O=C([O-])[C@H]1CCCN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000165402784 408811492 /nfs/dbraw/zinc/81/14/92/408811492.db2.gz OMMUCTHELBUAJF-NSHDSACASA-N -2 0 315.329 1.515 20 0 DDADRL CO[C@@H](C)c1nc(=NC[C@H](C(=O)[O-])c2ccccc2)s[n-]1 ZINC000385862103 418737910 /nfs/dbraw/zinc/73/79/10/418737910.db2.gz JTVAFQHQDQNURM-ONGXEEELSA-N -2 0 307.375 1.948 20 0 DDADRL O=C(N=c1[n-]nc(Cc2ccc(Cl)cc2)s1)c1nc[nH]n1 ZINC000428888480 419944103 /nfs/dbraw/zinc/94/41/03/419944103.db2.gz NVHOBGHMGJZLEK-UHFFFAOYSA-N -2 0 320.765 1.575 20 0 DDADRL COc1ccc([O-])c(C(=O)N=c2nc([C@@H](C)OC)[n-]s2)c1 ZINC000436580524 420341533 /nfs/dbraw/zinc/34/15/33/420341533.db2.gz BPHPPOZSPYOCRX-SSDOTTSWSA-N -2 0 309.347 1.634 20 0 DDADRL CC1(CS(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])CCCCC1 ZINC000547569855 421344505 /nfs/dbraw/zinc/34/45/05/421344505.db2.gz UCUFSEIFDIVDHI-SNVBAGLBSA-N -2 0 321.395 1.052 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CC(C)(C)C)C(=O)[O-] ZINC000547889052 421377331 /nfs/dbraw/zinc/37/73/31/421377331.db2.gz PEIPVXGLKAFLAV-NKWVEPMBSA-N -2 0 305.318 1.746 20 0 DDADRL COC1CCN(C(=O)Nc2ccc(C(=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000527316957 421377768 /nfs/dbraw/zinc/37/77/68/421377768.db2.gz CIPZFJLFOMGZRH-UHFFFAOYSA-N -2 0 322.317 1.726 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2c(C)cc(F)cc2C(=O)[O-])c[nH]1 ZINC000548202323 421411603 /nfs/dbraw/zinc/41/16/03/421411603.db2.gz JEMRDQPJBMOXHL-UHFFFAOYSA-N -2 0 313.310 1.665 20 0 DDADRL O=C(N=c1nc(C2CCOCC2)[n-]s1)c1c([O-])cccc1F ZINC000629102894 422477754 /nfs/dbraw/zinc/47/77/54/422477754.db2.gz LDZSMTSIXOGTDN-UHFFFAOYSA-N -2 0 323.349 1.951 20 0 DDADRL O=C([O-])c1ccc(OCCN=c2[n-]c(C3CCC3)no2)cc1 ZINC000578656173 422620641 /nfs/dbraw/zinc/62/06/41/422620641.db2.gz KTZAKMJTWRQJOL-UHFFFAOYSA-N -2 0 303.318 1.948 20 0 DDADRL CC(C)C[C@H](CNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)CC(=O)[O-] ZINC000659409336 423809847 /nfs/dbraw/zinc/80/98/47/423809847.db2.gz BCIYEKACSLYDEV-SDDRHHMPSA-N -2 0 314.382 1.676 20 0 DDADRL O=C([O-])COc1ccc(C(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC000659784274 424254094 /nfs/dbraw/zinc/25/40/94/424254094.db2.gz GAWRDTRHXTVGQO-UHFFFAOYSA-N -2 0 307.302 1.135 20 0 DDADRL CC(C)[C@H](CNC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC000655896741 424691737 /nfs/dbraw/zinc/69/17/37/424691737.db2.gz ODOFTBJZGFTBDQ-VWYCJHECSA-N -2 0 300.355 1.095 20 0 DDADRL C[C@@H]1CCN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)C[C@H]1C(=O)[O-] ZINC000665316792 424781992 /nfs/dbraw/zinc/78/19/92/424781992.db2.gz NNFASLAYOROHIR-ADEWGFFLSA-N -2 0 312.366 1.240 20 0 DDADRL COc1ccc(O)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000345724886 272315367 /nfs/dbraw/zinc/31/53/67/272315367.db2.gz WUMSQUSZOFMBCJ-UHFFFAOYSA-N -2 0 312.303 1.228 20 0 DDADRL CC(C)(C)CCCS(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000517034141 307429306 /nfs/dbraw/zinc/42/93/06/307429306.db2.gz TUWFAFGMTXXYDO-CYBMUJFWSA-N -2 0 323.411 1.298 20 0 DDADRL CCCc1nc(=NC(=O)N2CCC[C@H](CC(=O)[O-])C2)s[n-]1 ZINC000583801657 337334874 /nfs/dbraw/zinc/33/48/74/337334874.db2.gz BPRPOFDFKOJZTD-SECBINFHSA-N -2 0 312.395 1.631 20 0 DDADRL CC(C)(C(=O)[O-])n1cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cn1 ZINC000663128664 484689954 /nfs/dbraw/zinc/68/99/54/484689954.db2.gz PJBRLMPSIGVHJC-BDAKNGLRSA-N -2 0 309.322 1.142 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)CC1 ZINC000663129868 484692504 /nfs/dbraw/zinc/69/25/04/484692504.db2.gz YOMBAQHUWDIJRZ-AWEZNQCLSA-N -2 0 311.378 1.981 20 0 DDADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2c(F)cccc2F)n1 ZINC000739920895 599739917 /nfs/dbraw/zinc/73/99/17/599739917.db2.gz TYWOLHDIWKDXDD-UHFFFAOYSA-N -2 0 317.273 1.047 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)o1 ZINC000049235741 599801884 /nfs/dbraw/zinc/80/18/84/599801884.db2.gz OCOLTJIVQMENOL-UHFFFAOYSA-N -2 0 314.344 2.113 20 0 DDADRL CN(CCCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000737429448 599910592 /nfs/dbraw/zinc/91/05/92/599910592.db2.gz ISDTUKPIUXDITE-UHFFFAOYSA-N -2 0 318.326 1.021 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])cn1 ZINC000737303337 600094449 /nfs/dbraw/zinc/09/44/49/600094449.db2.gz WYDGOYSOTFFASJ-UHFFFAOYSA-N -2 0 301.349 1.464 20 0 DDADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1nnc[nH]1 ZINC000111831113 600243903 /nfs/dbraw/zinc/24/39/03/600243903.db2.gz WEDQZOSFDFNQDZ-UHFFFAOYSA-N -2 0 324.343 1.518 20 0 DDADRL CC(C)=C[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1(C)C ZINC000736343394 600463886 /nfs/dbraw/zinc/46/38/86/600463886.db2.gz BWBUTTUSJVGSLN-JQWIXIFHSA-N -2 0 317.407 1.536 20 0 DDADRL CCCn1nccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000737049185 600628743 /nfs/dbraw/zinc/62/87/43/600628743.db2.gz CQPHQWFHCKJJJR-UHFFFAOYSA-N -2 0 323.374 1.721 20 0 DDADRL Cc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)n1 ZINC000832989469 601229807 /nfs/dbraw/zinc/22/98/07/601229807.db2.gz JKRFWKRKWRRDKM-UHFFFAOYSA-N -2 0 302.333 1.852 20 0 DDADRL CC(C)CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000826861570 601238903 /nfs/dbraw/zinc/23/89/03/601238903.db2.gz ZAXHNSPKJBYASG-GHMZBOCLSA-N -2 0 305.396 1.370 20 0 DDADRL Cc1cc(C)c(NS(=O)(=O)C[C@@H](C)C(=O)[O-])c(C(=O)[O-])c1 ZINC000832875546 601241336 /nfs/dbraw/zinc/24/13/36/601241336.db2.gz ZIQJBAPCESGUIU-SECBINFHSA-N -2 0 315.347 1.464 20 0 DDADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)C2CCCC2)C1 ZINC000833185137 601599835 /nfs/dbraw/zinc/59/98/35/601599835.db2.gz VMXSWCWHFRSKNJ-NXEZZACHSA-N -2 0 303.380 1.266 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000830232191 601616998 /nfs/dbraw/zinc/61/69/98/601616998.db2.gz GFQRZTGMFTWTNG-QMMMGPOBSA-N -2 0 315.347 1.410 20 0 DDADRL Cc1ccc(-n2[n-]c(C(=O)N(CC(=O)[O-])C3CC3)cc2=O)cc1 ZINC000832910086 601746271 /nfs/dbraw/zinc/74/62/71/601746271.db2.gz LXGGALKJIFCCTQ-UHFFFAOYSA-N -2 0 315.329 1.163 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000833345870 601830867 /nfs/dbraw/zinc/83/08/67/601830867.db2.gz HDFOIGYKOJTKTM-UHFFFAOYSA-N -2 0 302.308 1.781 20 0 DDADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000827303275 602178117 /nfs/dbraw/zinc/17/81/17/602178117.db2.gz CRUAYVRMUKDHFT-SNVBAGLBSA-N -2 0 321.354 1.756 20 0 DDADRL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1C ZINC000228329189 602211566 /nfs/dbraw/zinc/21/15/66/602211566.db2.gz ZSQZKAMPNXOXTQ-UHFFFAOYSA-N -2 0 309.347 1.454 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(=O)[O-] ZINC000740033182 602490947 /nfs/dbraw/zinc/49/09/47/602490947.db2.gz ZYZMYYKXVGIDND-UHFFFAOYSA-N -2 0 322.346 1.559 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)CC(C)(C)NC(=O)[O-] ZINC000739301567 603162030 /nfs/dbraw/zinc/16/20/30/603162030.db2.gz OFOKIAXBWAERJT-VIFPVBQESA-N -2 0 308.400 1.305 20 0 DDADRL CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000826847807 604210325 /nfs/dbraw/zinc/21/03/25/604210325.db2.gz OFCHARDWPZFODT-ZJUUUORDSA-N -2 0 306.384 1.059 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)nc1C ZINC000079705018 604509004 /nfs/dbraw/zinc/50/90/04/604509004.db2.gz SZMXSESTVHSRHJ-UHFFFAOYSA-N -2 0 310.335 1.105 20 0 DDADRL O=C([O-])C[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000833210070 604668351 /nfs/dbraw/zinc/66/83/51/604668351.db2.gz DRVYQTPISWZENZ-LBPRGKRZSA-N -2 0 315.329 1.657 20 0 DDADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833731125 604702697 /nfs/dbraw/zinc/70/26/97/604702697.db2.gz SEKKWCRLCDJDBC-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000833408385 604880769 /nfs/dbraw/zinc/88/07/69/604880769.db2.gz UKEOOPHTDJVCJY-ZCFIWIBFSA-N -2 0 321.738 1.132 20 0 DDADRL O=C([O-])NC[C@@H](C(=O)[N-]OCC(F)(F)F)c1ccccc1 ZINC000832406796 605139143 /nfs/dbraw/zinc/13/91/43/605139143.db2.gz AIWJWMYKGBIITD-SECBINFHSA-N -2 0 306.240 1.648 20 0 DDADRL CC1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833556611 605162225 /nfs/dbraw/zinc/16/22/25/605162225.db2.gz DYNZYDNEXPOYAQ-ZCFIWIBFSA-N -2 0 303.361 1.297 20 0 DDADRL O=C([O-])Cn1ccc2cc(NC(=O)CCNC(=O)[O-])ccc21 ZINC000831815272 605185005 /nfs/dbraw/zinc/18/50/05/605185005.db2.gz FIQABCQFAAVBBP-UHFFFAOYSA-N -2 0 305.290 1.322 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cn(C(C)C)cn2)c(C(=O)[O-])[nH]1 ZINC000833747218 605187891 /nfs/dbraw/zinc/18/78/91/605187891.db2.gz TVQOJRHOFFENAZ-UHFFFAOYSA-N -2 0 312.351 1.600 20 0 DDADRL O=C([O-])NC[C@@H]1CCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000832590247 605555313 /nfs/dbraw/zinc/55/53/13/605555313.db2.gz QKVXGGNBDJIUNI-ZETCQYMHSA-N -2 0 316.716 1.914 20 0 DDADRL O=C([O-])C[C@H]1CCCCN1C(=O)CC1CCN(C(=O)[O-])CC1 ZINC000834061102 605688744 /nfs/dbraw/zinc/68/87/44/605688744.db2.gz OHALBKVGHYGHAG-GFCCVEGCSA-N -2 0 312.366 1.622 20 0 DDADRL O=C([O-])/C=C/c1ccc(NC(=O)[C@H]2CCCN2C(=O)[O-])cc1 ZINC000834059468 606054950 /nfs/dbraw/zinc/05/49/50/606054950.db2.gz BUPZVEPQOKVCQO-FZKGZDJFSA-N -2 0 304.302 1.865 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC000834245876 606063636 /nfs/dbraw/zinc/06/36/36/606063636.db2.gz HACXIALGVJTXMZ-UHFFFAOYSA-N -2 0 306.318 1.439 20 0 DDADRL CC(C)C[C@H](CNC(=O)[C@@H]1CCCCN1C(=O)[O-])C(=O)[O-] ZINC000833796786 606064442 /nfs/dbraw/zinc/06/44/42/606064442.db2.gz ZQSGFXUAFKAQGX-MNOVXSKESA-N -2 0 300.355 1.382 20 0 DDADRL O=C([O-])N[C@H](CC(=O)NC1(C(=O)[O-])CCC1)Cc1ccccc1 ZINC000834123660 606066658 /nfs/dbraw/zinc/06/66/58/606066658.db2.gz SKRZFYHGIAMSEA-LBPRGKRZSA-N -2 0 320.345 1.379 20 0 DDADRL O=C([O-])NCCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000834227321 606072227 /nfs/dbraw/zinc/07/22/27/606072227.db2.gz CEUNTWFETQKQLM-JTQLQIEISA-N -2 0 318.688 1.379 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)c2ccc(CNC(=O)[O-])o2)CC1 ZINC000834060811 606113980 /nfs/dbraw/zinc/11/39/80/606113980.db2.gz XMOVLBALCXBSCJ-UHFFFAOYSA-N -2 0 324.333 1.764 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000263424274 698506597 /nfs/dbraw/zinc/50/65/97/698506597.db2.gz LWORCZSQALOHSA-IUCAKERBSA-N -2 0 324.299 1.013 20 0 DDADRL CCC(CC)(CNC(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)[O-] ZINC000321859218 698731094 /nfs/dbraw/zinc/73/10/94/698731094.db2.gz MWTZCVCHKMTLKX-UHFFFAOYSA-N -2 0 317.349 1.488 20 0 DDADRL CCO[N-]C(=O)CNC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000848242338 703531110 /nfs/dbraw/zinc/53/11/10/703531110.db2.gz CRYSNKPNCUNSEV-UHFFFAOYSA-N -2 0 306.240 1.209 20 0 DDADRL CO[C@@H](C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])cc2cccnc21 ZINC000821106746 704372521 /nfs/dbraw/zinc/37/25/21/704372521.db2.gz OIUFQODQTVHPSN-VIFPVBQESA-N -2 0 324.358 1.710 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000863417092 705923528 /nfs/dbraw/zinc/92/35/28/705923528.db2.gz RQUBESLCIBFRKX-HRDYMLBCSA-N -2 0 317.329 1.890 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000863953265 706045415 /nfs/dbraw/zinc/04/54/15/706045415.db2.gz QQAJRRJJGVBWPR-LAUAKBEESA-N -2 0 311.359 1.460 20 0 DDADRL COc1ccccc1S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-] ZINC000863955472 706045836 /nfs/dbraw/zinc/04/58/36/706045836.db2.gz MOEMIFLUPUBQKD-UHFFFAOYSA-N -2 0 315.347 1.145 20 0 DDADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CC2CCC1CC2)C1CC1 ZINC000863963933 706047332 /nfs/dbraw/zinc/04/73/32/706047332.db2.gz KQIBHLPYEDTFEI-ZIUMLUTBSA-N -2 0 315.391 1.122 20 0 DDADRL O=C([O-])[C@H](F)C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000837296001 707614908 /nfs/dbraw/zinc/61/49/08/707614908.db2.gz HJOYMBBHEIRWRP-GSVOUGTGSA-N -2 0 322.166 1.756 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)C2CC3(CC3(F)F)C2)C1 ZINC000910181769 709800515 /nfs/dbraw/zinc/80/05/15/709800515.db2.gz FKZOSYDZKUFMNP-BAHFYKPOSA-N -2 0 317.288 1.198 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)/C=C\c2ccccc2F)C1 ZINC000910182991 709800886 /nfs/dbraw/zinc/80/08/86/709800886.db2.gz KSGZCFLBFPAZFQ-LDFZLWBNSA-N -2 0 321.304 1.615 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@H]2C[C@H]2C2CCCC2)C1 ZINC000910185158 709801515 /nfs/dbraw/zinc/80/15/15/709801515.db2.gz UWUUBBYXYGNWHA-MROQNXINSA-N -2 0 309.362 1.589 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccsc2Cl)C1 ZINC000910185036 709801601 /nfs/dbraw/zinc/80/16/01/709801601.db2.gz XCASTAWHSCFWIA-SVRRBLITSA-N -2 0 317.750 1.792 20 0 DDADRL Cc1cc(C)cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910186873 709802653 /nfs/dbraw/zinc/80/26/53/709802653.db2.gz WCOCRGULTSLMCE-YPMHNXCESA-N -2 0 305.330 1.693 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)C2CCC(F)(F)CC2)C1 ZINC000910191768 709805210 /nfs/dbraw/zinc/80/52/10/709805210.db2.gz LWEOLNQECGCUPY-NXEZZACHSA-N -2 0 319.304 1.588 20 0 DDADRL CCCCSCC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910192425 709805663 /nfs/dbraw/zinc/80/56/63/709805663.db2.gz PXSGKQQONVTNDR-UWVGGRQHSA-N -2 0 303.380 1.296 20 0 DDADRL COc1ccc(CCCC(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001181217787 743116802 /nfs/dbraw/zinc/11/68/02/743116802.db2.gz LXKGJVIWMXGODJ-UHFFFAOYSA-N -2 0 317.278 1.243 20 0 DDADRL COc1ccncc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184664196 744080433 /nfs/dbraw/zinc/08/04/33/744080433.db2.gz NONSXUWKJPZOKE-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CC(C(F)F)C1 ZINC001189886572 745042261 /nfs/dbraw/zinc/04/22/61/745042261.db2.gz IGNUNQPTFMIWRD-UHFFFAOYSA-N -2 0 307.189 1.495 20 0 DDADRL Cc1cc2c(nc(Cl)nc2NCCOP(=O)([O-])[O-])[nH]1 ZINC001168586148 751175675 /nfs/dbraw/zinc/17/56/75/751175675.db2.gz GFSQFYZINSPEFU-UHFFFAOYSA-N -2 0 306.646 1.393 20 0 DDADRL C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1cccs1 ZINC000828470956 759662131 /nfs/dbraw/zinc/66/21/31/759662131.db2.gz ZQNUHZAMTVKQSR-LPEHRKFASA-N -2 0 311.359 1.628 20 0 DDADRL Cc1ccc(NC(=O)NCCOP(=O)([O-])[O-])cc1Cl ZINC001202809434 859965820 /nfs/dbraw/zinc/96/58/20/859965820.db2.gz NSDIFCQKNVUEAW-UHFFFAOYSA-N -2 0 308.658 1.879 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cccc2cnsc21 ZINC001156671549 863247972 /nfs/dbraw/zinc/24/79/72/863247972.db2.gz WBYFIOBCUKJLMG-UHFFFAOYSA-N -2 0 302.248 1.135 20 0 DDADRL Cc1ccc(C(F)(F)NCCOP(=O)([O-])[O-])nc1Cl ZINC001157791161 864143793 /nfs/dbraw/zinc/14/37/93/864143793.db2.gz KKXRPAGNGLOTED-UHFFFAOYSA-N -2 0 316.628 1.792 20 0 DDADRL O=P([O-])([O-])OCCN[C@@H](F)Oc1cccc(Cl)n1 ZINC001157791465 864143978 /nfs/dbraw/zinc/14/39/78/864143978.db2.gz PITFQGNRNNXPIO-MRVPVSSYSA-N -2 0 300.610 1.066 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc3c(cn2)C(=O)NCC3)c1 ZINC001242158893 891355004 /nfs/dbraw/zinc/35/50/04/891355004.db2.gz BDPVTTSHMDFMIN-UHFFFAOYSA-N -2 0 312.281 1.431 20 0 DDADRL C[C@@H](NC(=S)NCCOP(=O)([O-])[O-])c1ccccc1 ZINC001245539470 892167760 /nfs/dbraw/zinc/16/77/60/892167760.db2.gz LCOVFVBIWBOEBE-SECBINFHSA-N -2 0 304.308 1.321 20 0 DDADRL O=c1cc(C2CCOCC2)[n-]n1-c1ccc(S(=O)(=O)[O-])cc1 ZINC001245943228 892279229 /nfs/dbraw/zinc/27/92/29/892279229.db2.gz RDQABGJEKTYGOJ-UHFFFAOYSA-N -2 0 324.358 1.719 20 0 DDADRL O=S(=O)([O-])c1ccc([N-]S(=O)(=O)c2cccnc2)cc1 ZINC001259607811 898737683 /nfs/dbraw/zinc/73/76/83/898737683.db2.gz KOBLJAUIHHXSEB-UHFFFAOYSA-N -2 0 314.344 1.129 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnn3c2OCCC3)c1 ZINC001260184863 899078601 /nfs/dbraw/zinc/07/86/01/899078601.db2.gz GRQDOSAQISGHJA-UHFFFAOYSA-N -2 0 323.330 1.165 20 0 DDADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)no1 ZINC001260209767 899091587 /nfs/dbraw/zinc/09/15/87/899091587.db2.gz SJJRDYGTYPPNIV-UHFFFAOYSA-N -2 0 316.266 1.321 20 0 DDADRL CCOc1ccncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260221342 899095493 /nfs/dbraw/zinc/09/54/93/899095493.db2.gz GCGGOBOJTYXWIB-UHFFFAOYSA-N -2 0 322.342 1.979 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)nn1 ZINC001260869324 899286532 /nfs/dbraw/zinc/28/65/32/899286532.db2.gz LSHDJYBIKBAGAF-UHFFFAOYSA-N -2 0 323.161 1.628 20 0 DDADRL CC(C)Oc1ccc(=NC(=O)N2CCC[C@H](CC(=O)[O-])C2)[n-]n1 ZINC000563583166 303961031 /nfs/dbraw/zinc/96/10/31/303961031.db2.gz WITLONSGEXGJAG-LLVKDONJSA-N -2 0 322.365 1.404 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2CCO3)c[nH]1 ZINC000358498676 299174427 /nfs/dbraw/zinc/17/44/27/299174427.db2.gz WFNCRSHHTOXUQY-UHFFFAOYSA-N -2 0 308.315 1.449 20 0 DDADRL COc1cncc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1 ZINC000337134790 249359824 /nfs/dbraw/zinc/35/98/24/249359824.db2.gz BKQUVSUXWCIMOS-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000063009456 184265949 /nfs/dbraw/zinc/26/59/49/184265949.db2.gz YCZBHQLIYHYVJP-UHFFFAOYSA-N -2 0 314.294 1.930 20 0 DDADRL Cc1[n-]n(-c2cccc(-c3ccnn3C)c2)c(=O)c1CC(=O)[O-] ZINC000568266575 304282284 /nfs/dbraw/zinc/28/22/84/304282284.db2.gz ZUMNJDAMGVCVFH-CYBMUJFWSA-N -2 0 312.329 1.901 20 0 DDADRL CS[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000235054322 407717034 /nfs/dbraw/zinc/71/70/34/407717034.db2.gz SFMUUOUERGGQJS-PSASIEDQSA-N -2 0 319.404 1.930 20 0 DDADRL Cn1ncc2c1[n-]cc(C(=O)Nc1cc(F)ccc1O)c2=O ZINC000179717962 407824886 /nfs/dbraw/zinc/82/48/86/407824886.db2.gz JKEDLQAQIOXRME-UHFFFAOYSA-N -2 0 302.265 1.771 20 0 DDADRL COCCS(=O)(=O)[N-]c1ccc(/C=C\C(=O)[O-])cc1OC ZINC000276062018 408765852 /nfs/dbraw/zinc/76/58/52/408765852.db2.gz KWOGWMVUAAHPSP-XQRVVYSFSA-N -2 0 315.347 1.181 20 0 DDADRL CCc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000337872270 409525172 /nfs/dbraw/zinc/52/51/72/409525172.db2.gz RVSILLWTFJPNFY-UHFFFAOYSA-N -2 0 300.292 1.637 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2O)c[nH]1 ZINC000346644454 410054627 /nfs/dbraw/zinc/05/46/27/410054627.db2.gz CJKGTCSRXCEJBK-UHFFFAOYSA-N -2 0 316.722 1.873 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](NC(=O)N=c2[n-]nc(C(F)(F)F)s2)C1 ZINC000647691054 423000013 /nfs/dbraw/zinc/00/00/13/423000013.db2.gz IFCKACJOPJZDRN-UHNVWZDZSA-N -2 0 324.284 1.354 20 0 DDADRL Cc1ncc(S(=O)(=O)NC[C@@H](CC2CC2)C(=O)[O-])s1 ZINC000405381070 418775253 /nfs/dbraw/zinc/77/52/53/418775253.db2.gz JAHSVIDXISLKGQ-SECBINFHSA-N -2 0 304.393 1.231 20 0 DDADRL O=C([O-])c1ccc(CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1 ZINC000653277885 423415324 /nfs/dbraw/zinc/41/53/24/423415324.db2.gz ZCYIIOXDZZNBGE-MRXNPFEDSA-N -2 0 303.314 1.812 20 0 DDADRL Cc1cc(CS(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)on1 ZINC000547870007 303556945 /nfs/dbraw/zinc/55/69/45/303556945.db2.gz ZFRMMDSGACNOHI-UHFFFAOYSA-N -2 0 312.303 1.329 20 0 DDADRL COc1cc(C)c([N-]S(=O)(=O)c2c[nH]cn2)c(C(=O)[O-])c1 ZINC000547940704 303562050 /nfs/dbraw/zinc/56/20/50/303562050.db2.gz WTLCCWKTAWFWCF-UHFFFAOYSA-N -2 0 311.319 1.226 20 0 DDADRL COC[C@]1(C(=O)[O-])CCC[N@@H+]([C@@H](C)c2nc(C)cc(=O)[nH]2)C1 ZINC000570639181 308174793 /nfs/dbraw/zinc/17/47/93/308174793.db2.gz WCNZMAREONWBBS-NHYWBVRUSA-N -2 0 309.366 1.365 20 0 DDADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000663118302 484682061 /nfs/dbraw/zinc/68/20/61/484682061.db2.gz CLMSFNUMKCSVIX-YVEFUNNKSA-N -2 0 321.373 1.892 20 0 DDADRL CC[C@H](C)[C@H](NC(=O)CCc1ccccc1C(=O)[O-])C(=O)[O-] ZINC000820432334 598197681 /nfs/dbraw/zinc/19/76/81/598197681.db2.gz NPDCBAFCAULRGU-HZMBPMFUSA-N -2 0 307.346 1.933 20 0 DDADRL O=C([O-])c1cccc(CC(=O)N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000821396184 598197800 /nfs/dbraw/zinc/19/78/00/598197800.db2.gz UPDCDVRHNNUVMM-HNNXBMFYSA-N -2 0 313.309 1.869 20 0 DDADRL Cn1cnc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c1 ZINC000157854476 599851953 /nfs/dbraw/zinc/85/19/53/599851953.db2.gz RRQDTWYMZARRHS-UHFFFAOYSA-N -2 0 309.347 1.238 20 0 DDADRL Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H](NC(=O)[O-])C(C)C)c1 ZINC000738743854 599884333 /nfs/dbraw/zinc/88/43/33/599884333.db2.gz FRYSTQDEZWQALY-LLVKDONJSA-N -2 0 314.363 1.092 20 0 DDADRL CSC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000738188122 599982871 /nfs/dbraw/zinc/98/28/71/599982871.db2.gz BBGSYDOAJQOLKS-ZCFIWIBFSA-N -2 0 323.417 1.250 20 0 DDADRL CC1=C(C(=O)[O-])[C@H](c2cccc(O[C@@H](C)C(=O)[O-])c2)NC(=O)N1 ZINC000736751476 599986942 /nfs/dbraw/zinc/98/69/42/599986942.db2.gz QPKRNUBVQJAZBS-UFBFGSQYSA-N -2 0 320.301 1.251 20 0 DDADRL N#Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cc1 ZINC000021014748 600050983 /nfs/dbraw/zinc/05/09/83/600050983.db2.gz DQENPVKLYDYFOZ-UHFFFAOYSA-N -2 0 323.355 1.443 20 0 DDADRL Cc1ccnc(S(=O)(=O)[N-]C(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000738797829 600360397 /nfs/dbraw/zinc/36/03/97/600360397.db2.gz JKAPQJSTRFYRIR-UHFFFAOYSA-N -2 0 320.326 1.207 20 0 DDADRL O=C([O-])c1ccnc(NC(=O)c2n[n-]c3ccccc3c2=O)c1 ZINC000740248906 600452508 /nfs/dbraw/zinc/45/25/08/600452508.db2.gz KEUWAWFFBSXXQG-UHFFFAOYSA-N -2 0 310.269 1.681 20 0 DDADRL CC(C)CCSCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736435630 600465579 /nfs/dbraw/zinc/46/55/79/600465579.db2.gz JXGPOQKHXBGESL-UHFFFAOYSA-N -2 0 311.425 1.077 20 0 DDADRL CCCCOCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736999504 600518414 /nfs/dbraw/zinc/51/84/14/600518414.db2.gz PJFHXKQEGMQAAH-UHFFFAOYSA-N -2 0 321.376 1.068 20 0 DDADRL CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000829208843 600937988 /nfs/dbraw/zinc/93/79/88/600937988.db2.gz NXTZNIZHYWZGCD-SSDOTTSWSA-N -2 0 305.377 1.687 20 0 DDADRL CCCn1nccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000829591503 600976871 /nfs/dbraw/zinc/97/68/71/600976871.db2.gz UIXWVKHYEGGQLY-UHFFFAOYSA-N -2 0 315.376 1.854 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2O)o1 ZINC000833323367 602202141 /nfs/dbraw/zinc/20/21/41/602202141.db2.gz HXXJMWJHUQGHAG-UHFFFAOYSA-N -2 0 301.251 1.623 20 0 DDADRL CCCc1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])n[nH]1 ZINC000829566062 602306130 /nfs/dbraw/zinc/30/61/30/602306130.db2.gz BQCNIVFSEBQSAH-UHFFFAOYSA-N -2 0 316.364 1.318 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)c1 ZINC000833333502 602307493 /nfs/dbraw/zinc/30/74/93/602307493.db2.gz BIKUDOUTELOJAD-UHFFFAOYSA-N -2 0 307.331 1.786 20 0 DDADRL CCCc1ccc(S(=O)(=O)[N-]C(=O)CN(C)C(=O)[O-])cc1 ZINC000739372619 602621667 /nfs/dbraw/zinc/62/16/67/602621667.db2.gz IKPNDTABPJYRFB-UHFFFAOYSA-N -2 0 314.363 1.054 20 0 DDADRL O=C(CN(C[C@H]1CCCO1)C(=O)[O-])[N-]OCc1ccccc1 ZINC000740366916 602829954 /nfs/dbraw/zinc/82/99/54/602829954.db2.gz RGJUQEVHQWWNNN-CYBMUJFWSA-N -2 0 308.334 1.393 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)CC(C)(C)NC(=O)[O-] ZINC000739252148 603162202 /nfs/dbraw/zinc/16/22/02/603162202.db2.gz IYMJTDMNOVGURH-UHFFFAOYSA-N -2 0 308.400 1.305 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2cccc3c2CCN3C(=O)[O-])c[nH]1 ZINC000830813472 604014295 /nfs/dbraw/zinc/01/42/95/604014295.db2.gz QJFPQFKNPWDJHI-UHFFFAOYSA-N -2 0 322.346 1.559 20 0 DDADRL Cc1ccc(C(=O)[N-]S(=O)(=O)CC(C)C)cc1NC(=O)[O-] ZINC000830225667 604248986 /nfs/dbraw/zinc/24/89/86/604248986.db2.gz SKZZMANILUWCNK-UHFFFAOYSA-N -2 0 314.363 1.801 20 0 DDADRL O=C([O-])c1ccc(NC(=O)C(=O)[N-]OCC(F)(F)F)cc1F ZINC000833148966 604425384 /nfs/dbraw/zinc/42/53/84/604425384.db2.gz VLVKXNFFEXRJDH-UHFFFAOYSA-N -2 0 324.186 1.073 20 0 DDADRL Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cncc(C(=O)[O-])c1 ZINC000319699456 604889382 /nfs/dbraw/zinc/88/93/82/604889382.db2.gz KAWZPCWWXZPUPA-UHFFFAOYSA-N -2 0 317.326 1.761 20 0 DDADRL CN(C(=O)c1c([O-])cc(F)cc1F)[C@H]1CCN(C(=O)[O-])C1 ZINC000827926413 604923568 /nfs/dbraw/zinc/92/35/68/604923568.db2.gz BLAUMAHYURZULD-QMMMGPOBSA-N -2 0 300.261 1.495 20 0 DDADRL O=C([O-])N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[N-]OCC(F)(F)F ZINC000831742768 605137967 /nfs/dbraw/zinc/13/79/67/605137967.db2.gz QEIHNORXFQSQTO-YIZRAAEISA-N -2 0 310.272 1.908 20 0 DDADRL O=C([O-])NCCC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000832599653 605185220 /nfs/dbraw/zinc/18/52/20/605185220.db2.gz XLZIUHUDKRMLBA-UHFFFAOYSA-N -2 0 322.342 1.873 20 0 DDADRL COc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC000833733981 605187929 /nfs/dbraw/zinc/18/79/29/605187929.db2.gz XUHFJULHAMJZMG-UHFFFAOYSA-N -2 0 313.287 1.493 20 0 DDADRL CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000824176269 605279731 /nfs/dbraw/zinc/27/97/31/605279731.db2.gz KZTCJEDVWWIYRE-SNVBAGLBSA-N -2 0 320.411 1.257 20 0 DDADRL CCCC1(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)CCC1 ZINC000826769495 605281115 /nfs/dbraw/zinc/28/11/15/605281115.db2.gz RPVVBRVWYLJYTP-SNVBAGLBSA-N -2 0 318.395 1.155 20 0 DDADRL O=C([O-])CC[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(=O)[O-])C1 ZINC000834058368 605306253 /nfs/dbraw/zinc/30/62/53/605306253.db2.gz BYHUYMAJTROUCG-VXGBXAGGSA-N -2 0 312.366 1.622 20 0 DDADRL O=C([O-])c1cccc(CCNC(=O)[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000834283408 605307909 /nfs/dbraw/zinc/30/79/09/605307909.db2.gz OJKZUOQYPYMYBK-ZDUSSCGKSA-N -2 0 320.345 1.434 20 0 DDADRL CCCCS(=O)(=O)[N-]C(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000826848410 605342797 /nfs/dbraw/zinc/34/27/97/605342797.db2.gz WURQHJCIAHAAMU-UHFFFAOYSA-N -2 0 314.363 1.945 20 0 DDADRL O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)Nc1cccc(Cl)c1[O-] ZINC000834055124 605540055 /nfs/dbraw/zinc/54/00/55/605540055.db2.gz ZEOOBUIUVDHGEK-RCOVLWMOSA-N -2 0 300.698 1.097 20 0 DDADRL O=C([O-])N1CC[C@@H](C(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)C1 ZINC000834014128 606049374 /nfs/dbraw/zinc/04/93/74/606049374.db2.gz HIWMLIOPYFISOL-BDJLRTHQSA-N -2 0 318.329 1.029 20 0 DDADRL O=C([O-])C[C@@H]1CSCCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000834059411 606051515 /nfs/dbraw/zinc/05/15/15/606051515.db2.gz BABGUZXJHPCGOH-LLVKDONJSA-N -2 0 324.358 1.809 20 0 DDADRL O=C([O-])CC1(NC(=O)[C@@H]2CCCN(C(=O)[O-])C2)CCCCC1 ZINC000834061194 606052780 /nfs/dbraw/zinc/05/27/80/606052780.db2.gz QFBHVZXWUHCNJG-LLVKDONJSA-N -2 0 312.366 1.670 20 0 DDADRL O=C([O-])COc1cccc(NC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])c1 ZINC000834066627 606057066 /nfs/dbraw/zinc/05/70/66/606057066.db2.gz UISLDEIPZNQQQY-NWDGAFQWSA-N -2 0 322.317 1.525 20 0 DDADRL O=C([O-])Nc1cccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)c1 ZINC000834261952 606068696 /nfs/dbraw/zinc/06/86/96/606068696.db2.gz HDEYWOSLAHTQDH-ZDUSSCGKSA-N -2 0 310.331 1.467 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)CC2(NC(=O)[O-])CCC2)CC1 ZINC000834058390 606113639 /nfs/dbraw/zinc/11/36/39/606113639.db2.gz CICHRCRPLWKUGM-UHFFFAOYSA-N -2 0 312.366 1.670 20 0 DDADRL Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)n1 ZINC000776427812 698106447 /nfs/dbraw/zinc/10/64/47/698106447.db2.gz UBIXXOUNAQNEEU-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)nn1C ZINC000385851530 699075765 /nfs/dbraw/zinc/07/57/65/699075765.db2.gz FXGPHFTUYONDLF-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)C(CC)(CC)C(=O)[O-] ZINC000863954863 706045936 /nfs/dbraw/zinc/04/59/36/706045936.db2.gz PFXYJABKIHTQLP-UHFFFAOYSA-N -2 0 307.412 1.760 20 0 DDADRL CCc1ccccc1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC=CC1 ZINC000863959726 706046466 /nfs/dbraw/zinc/04/64/66/706046466.db2.gz ANHJOWVCAGJHLQ-UHFFFAOYSA-N -2 0 323.370 1.475 20 0 DDADRL O=C([O-])CC1(C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CCC1 ZINC000863963724 706047344 /nfs/dbraw/zinc/04/73/44/706047344.db2.gz FVMNTDKVUMJTSD-OUAUKWLOSA-N -2 0 315.391 1.266 20 0 DDADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)[C@@H]1CC2CCC1CC2 ZINC000863964559 706047864 /nfs/dbraw/zinc/04/78/64/706047864.db2.gz WJPMJLJOMDFJNK-HTAVTVPLSA-N -2 0 317.407 1.656 20 0 DDADRL O=C([O-])[C@]1(F)CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000909305158 712986875 /nfs/dbraw/zinc/98/68/75/712986875.db2.gz QSTIDSOYFFGBAA-LBPRGKRZSA-N -2 0 305.664 1.824 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]Oc1ccc(F)cc1 ZINC000898572816 708793924 /nfs/dbraw/zinc/79/39/24/708793924.db2.gz CRZZUYOVHKKOKZ-JTQLQIEISA-N -2 0 322.258 1.939 20 0 DDADRL CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)C1 ZINC000900470676 709610942 /nfs/dbraw/zinc/61/09/42/709610942.db2.gz XUOLCJXNEOMCDE-CVEARBPZSA-N -2 0 309.362 1.901 20 0 DDADRL Cc1ccccc1[C@H](C)C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910180964 709800208 /nfs/dbraw/zinc/80/02/08/709800208.db2.gz AKCIWJAUNBNTLV-SCRDCRAPSA-N -2 0 319.357 1.875 20 0 DDADRL C[C@H]1C[C@H](C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])C[C@@H](C)C1 ZINC000910183537 709800999 /nfs/dbraw/zinc/80/09/99/709800999.db2.gz MHAXUJNWMDUYGS-OBPIAQAESA-N -2 0 311.378 1.835 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(F)cc(F)c2)C1 ZINC000910184976 709801509 /nfs/dbraw/zinc/80/15/09/709801509.db2.gz HKMYQUZEVSLUFD-HQJQHLMTSA-N -2 0 313.256 1.355 20 0 DDADRL CSCCCCC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910185825 709802069 /nfs/dbraw/zinc/80/20/69/709802069.db2.gz YWOGYNCOFCKIIF-NXEZZACHSA-N -2 0 303.380 1.296 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CCc2cccs2)C1 ZINC000910187846 709803043 /nfs/dbraw/zinc/80/30/43/709803043.db2.gz HCJJIKUCOHEHKG-MWLCHTKSSA-N -2 0 311.359 1.457 20 0 DDADRL C/C(=C/C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000910190354 709804433 /nfs/dbraw/zinc/80/44/33/709804433.db2.gz WLGOTIDJPSKPBU-IVYWBBSESA-N -2 0 317.341 1.866 20 0 DDADRL Cc1ccc(C)c(CC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910191295 709805160 /nfs/dbraw/zinc/80/51/60/709805160.db2.gz ZVJBPTYOYMHKQG-OCCSQVGLSA-N -2 0 319.357 1.622 20 0 DDADRL Cc1cc(F)cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910191253 709805275 /nfs/dbraw/zinc/80/52/75/709805275.db2.gz ZFOJYZWZAUETRZ-JOYOIKCWSA-N -2 0 309.293 1.524 20 0 DDADRL CCc1ccccc1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910191461 709805306 /nfs/dbraw/zinc/80/53/06/709805306.db2.gz JQOPMIOTJOTXJB-DGCLKSJQSA-N -2 0 305.330 1.639 20 0 DDADRL Cc1cc(F)cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910191255 709805328 /nfs/dbraw/zinc/80/53/28/709805328.db2.gz ZFOJYZWZAUETRZ-SKDRFNHKSA-N -2 0 309.293 1.524 20 0 DDADRL O=C([O-])C[C@@H]1CCCCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000901997308 710196801 /nfs/dbraw/zinc/19/68/01/710196801.db2.gz BHTGXGYLWACIHQ-LBPRGKRZSA-N -2 0 305.330 1.783 20 0 DDADRL C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000906786840 712411609 /nfs/dbraw/zinc/41/16/09/712411609.db2.gz PSZLVYCZMHKDLE-YUMQZZPRSA-N -2 0 319.766 1.529 20 0 DDADRL CN([C@H]1CCSC1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906904555 712434347 /nfs/dbraw/zinc/43/43/47/712434347.db2.gz NCNWTKYGFQSUTF-VIFPVBQESA-N -2 0 317.388 1.216 20 0 DDADRL CSCCCN(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906964691 712450842 /nfs/dbraw/zinc/45/08/42/712450842.db2.gz VDSTXOUPQFEMAC-UHFFFAOYSA-N -2 0 319.404 1.464 20 0 DDADRL CN(C1CC(C)(C)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000907014155 712464645 /nfs/dbraw/zinc/46/46/45/712464645.db2.gz DOQVMCQNHXTEDA-UHFFFAOYSA-N -2 0 313.375 1.900 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000926576650 715090441 /nfs/dbraw/zinc/09/04/41/715090441.db2.gz RKDNEWDMXBQOEB-BIIVOSGPSA-N -2 0 303.302 1.500 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])[C@@H]1CC12CCC(F)(F)CC2 ZINC001183597157 743867002 /nfs/dbraw/zinc/86/70/02/743867002.db2.gz WZHKBMMSKPNOSM-QMMMGPOBSA-N -2 0 313.237 1.428 20 0 DDADRL Cc1cnc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n1 ZINC001184652477 744078553 /nfs/dbraw/zinc/07/85/53/744078553.db2.gz ARFLUFAZPJMQAF-UHFFFAOYSA-N -2 0 321.358 1.901 20 0 DDADRL O=S(=O)([O-])c1ccc([N-]S(=O)(=O)c2ccoc2)cc1 ZINC001188609762 744727555 /nfs/dbraw/zinc/72/75/55/744727555.db2.gz ASAHJXHRUXVCHE-UHFFFAOYSA-N -2 0 303.317 1.327 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cccc(-c2cnco2)c1 ZINC001188956728 744798635 /nfs/dbraw/zinc/79/86/35/744798635.db2.gz KVFUVTSKDKXOIW-UHFFFAOYSA-N -2 0 312.218 1.181 20 0 DDADRL CC(C)(C)C(=O)CNC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189900209 745048253 /nfs/dbraw/zinc/04/82/53/745048253.db2.gz VIGGYZKVYNMOMU-UHFFFAOYSA-N -2 0 315.262 1.503 20 0 DDADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccnn2)c1 ZINC000158628468 746033840 /nfs/dbraw/zinc/03/38/40/746033840.db2.gz HGNDFPCCUZLCFW-UHFFFAOYSA-N -2 0 313.722 1.629 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncco2)c(F)cc1F ZINC001195189663 746541091 /nfs/dbraw/zinc/54/10/91/746541091.db2.gz MSLOGWQKXNKXFJ-UHFFFAOYSA-N -2 0 304.230 1.452 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)nn1 ZINC001198739460 747585317 /nfs/dbraw/zinc/58/53/17/747585317.db2.gz USPVDJIBWFQNNQ-UHFFFAOYSA-N -2 0 313.722 1.629 20 0 DDADRL CCOC(=O)c1cc(C)nc(NCCOP(=O)([O-])[O-])c1 ZINC001168585721 751174231 /nfs/dbraw/zinc/17/42/31/751174231.db2.gz DFPIPNIHDWPIFH-UHFFFAOYSA-N -2 0 304.239 1.088 20 0 DDADRL Cc1nc(Cl)c(NCCOP(=O)([O-])[O-])c(Cl)n1 ZINC001168589415 751201858 /nfs/dbraw/zinc/20/18/58/751201858.db2.gz JWHWFCBLQWLTLC-UHFFFAOYSA-N -2 0 302.054 1.613 20 0 DDADRL O=P([O-])([O-])OCCNc1c(F)c(F)c(F)c(F)c1F ZINC001168590946 751213884 /nfs/dbraw/zinc/21/38/84/751213884.db2.gz DKKGSXIPMORNQO-UHFFFAOYSA-N -2 0 307.111 1.903 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc3c2CCC3)C1 ZINC000828470946 759662098 /nfs/dbraw/zinc/66/20/98/759662098.db2.gz XJDDLBHGJMGINX-FZMZJTMJSA-N -2 0 317.341 1.565 20 0 DDADRL O=P([O-])([O-])OCCNc1ncnc2cc(Cl)ccc21 ZINC001157787273 766639136 /nfs/dbraw/zinc/63/91/36/766639136.db2.gz GSFFCZMPKSNNMG-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL C[C@H](Nc1ccc(P(=O)([O-])[O-])cc1)[C@H](O)c1cccc(O)c1 ZINC001170678472 769690480 /nfs/dbraw/zinc/69/04/80/769690480.db2.gz REVUKZKJGKUTGG-BONVTDFDSA-N -2 0 323.285 1.729 20 0 DDADRL O=C(N[C@H]1SC(=O)[N-]C1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148811843 773608131 /nfs/dbraw/zinc/60/81/31/773608131.db2.gz OJIZRCPKLBVROS-VIFPVBQESA-N -2 0 321.141 1.738 20 0 DDADRL Cc1cnc(C)c(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])n1 ZINC001148915236 773633109 /nfs/dbraw/zinc/63/31/09/773633109.db2.gz MNEBWRUMWUUVTQ-UHFFFAOYSA-N -2 0 323.330 1.298 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cccc2sccc21 ZINC001153442949 863890107 /nfs/dbraw/zinc/89/01/07/863890107.db2.gz RGEAAJFOAXLUFQ-UHFFFAOYSA-N -2 0 301.260 1.740 20 0 DDADRL Cc1nc2c(cccc2C(=O)NCCCC[P@@](=O)([O-])O)[nH]1 ZINC001153614081 863976628 /nfs/dbraw/zinc/97/66/28/863976628.db2.gz SHWHSFLGRANOFY-UHFFFAOYSA-N -2 0 311.278 1.559 20 0 DDADRL O=P([O-])([O-])OCCNc1cc2c(Cl)ccnc2cn1 ZINC001157791729 864145855 /nfs/dbraw/zinc/14/58/55/864145855.db2.gz SAAXXKDQAZNRNG-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL CCCC(=O)[C@H](CCC)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21 ZINC001226889050 882703972 /nfs/dbraw/zinc/70/39/72/882703972.db2.gz YENWECXWYRJOER-QMMMGPOBSA-N -2 0 322.321 1.453 20 0 DDADRL CC(C)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228281604 883419050 /nfs/dbraw/zinc/41/90/50/883419050.db2.gz PRFFZBSCYMAXKQ-GXFFZTMASA-N -2 0 310.302 1.252 20 0 DDADRL CC(C)CN(Cc1nnn[n-]1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC001362832461 884748532 /nfs/dbraw/zinc/74/85/32/884748532.db2.gz SSOBZXBANMCQLM-UHFFFAOYSA-N -2 0 311.292 1.482 20 0 DDADRL CC1(C)COC(=O)[C@@H]1Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234333205 887872108 /nfs/dbraw/zinc/87/21/08/887872108.db2.gz VPHWMGMHOJSTDL-JTQLQIEISA-N -2 0 302.219 1.489 20 0 DDADRL COC(=O)C1=NC(C(=O)OC)C([O-])=C1O[C@H](C)C1=CC=C[CH]1 ZINC001234356065 887901769 /nfs/dbraw/zinc/90/17/69/887901769.db2.gz XLFXWKPLJOYQOC-MRVPVSSYSA-N -2 0 306.294 1.761 20 0 DDADRL CON(C)C(=O)c1cccc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001243132218 891605486 /nfs/dbraw/zinc/60/54/86/891605486.db2.gz FKNGIUOGNXJOIM-UHFFFAOYSA-N -2 0 321.269 1.790 20 0 DDADRL O=c1ccn(-c2ccc([N-]S(=O)(=O)C(F)(F)F)cc2)[n-]1 ZINC001252364166 895105762 /nfs/dbraw/zinc/10/57/62/895105762.db2.gz AZIQUCGQMVARPM-UHFFFAOYSA-N -2 0 307.253 1.839 20 0 DDADRL CC(=O)c1cccnc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260183192 899076012 /nfs/dbraw/zinc/07/60/12/899076012.db2.gz CBLNUKLNQITSSQ-UHFFFAOYSA-N -2 0 320.326 1.783 20 0 DDADRL C[C@H](O)c1ccnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001260184784 899079001 /nfs/dbraw/zinc/07/90/01/899079001.db2.gz CEHLUJNLJVIGAD-VIFPVBQESA-N -2 0 322.342 1.634 20 0 DDADRL O=C([O-])[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)CC(F)(F)F ZINC000564925492 304027016 /nfs/dbraw/zinc/02/70/16/304027016.db2.gz ACFASLUZFIJGPV-IUCAKERBSA-N -2 0 317.329 1.892 20 0 DDADRL CC[C@H](C)C(=O)N[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000055617611 352739475 /nfs/dbraw/zinc/73/94/75/352739475.db2.gz QBROKJDMOLTPSM-QMMMGPOBSA-N -2 0 314.363 1.049 20 0 DDADRL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)[C@@H](C)C(=O)[O-] ZINC000133154176 354107964 /nfs/dbraw/zinc/10/79/64/354107964.db2.gz RVHDCHLFNOJIKW-PHDIDXHHSA-N -2 0 311.281 1.491 20 0 DDADRL CC(C)(C)c1nc(=NC(=O)c2ccc(C(=O)[O-])nc2)s[n-]1 ZINC000590437032 355093457 /nfs/dbraw/zinc/09/34/57/355093457.db2.gz HPSXNTGKZDZBFY-UHFFFAOYSA-N -2 0 306.347 1.603 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)cc1 ZINC000608343712 360161073 /nfs/dbraw/zinc/16/10/73/360161073.db2.gz OTZULIOMCVWHFH-UHFFFAOYSA-N -2 0 321.358 1.792 20 0 DDADRL CCCCOc1ccc(C(=O)N=c2[n-]c(C)nn2C)c([O-])c1 ZINC000621952793 365139552 /nfs/dbraw/zinc/13/95/52/365139552.db2.gz QUVOQHZDYVHNMX-UHFFFAOYSA-N -2 0 304.350 1.682 20 0 DDADRL Cc1oncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000350301927 284179841 /nfs/dbraw/zinc/17/98/41/284179841.db2.gz QQQJZZPGEIUFQY-UHFFFAOYSA-N -2 0 300.267 1.621 20 0 DDADRL O=C([O-])CSCC[N-]S(=O)(=O)c1c(F)cccc1F ZINC000274966864 212048212 /nfs/dbraw/zinc/04/82/12/212048212.db2.gz IIIATEQFPGYTFO-UHFFFAOYSA-N -2 0 311.331 1.061 20 0 DDADRL Cn1ccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)n1 ZINC000340182198 250917489 /nfs/dbraw/zinc/91/74/89/250917489.db2.gz VSWIDQKROIDEHP-UHFFFAOYSA-N -2 0 323.374 1.628 20 0 DDADRL CC(C)n1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cn1 ZINC000061683250 184182108 /nfs/dbraw/zinc/18/21/08/184182108.db2.gz DTBQUGAUKHDTFI-UHFFFAOYSA-N -2 0 309.347 1.963 20 0 DDADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1C(=O)[O-] ZINC000352437017 285049645 /nfs/dbraw/zinc/04/96/45/285049645.db2.gz LCBBSLCSVFGHGA-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)[nH]c32)c[nH]1 ZINC000357331079 409977484 /nfs/dbraw/zinc/97/74/84/409977484.db2.gz RKRIWGBPMNWFSK-UHFFFAOYSA-N -2 0 322.302 1.096 20 0 DDADRL Cc1ccsc1-c1nc(=NC(=O)NCCC(=O)[O-])s[n-]1 ZINC000417779217 420477222 /nfs/dbraw/zinc/47/72/22/420477222.db2.gz AWWSUQZJEUQTNG-UHFFFAOYSA-N -2 0 312.376 1.593 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000548576659 421450955 /nfs/dbraw/zinc/45/09/55/421450955.db2.gz QCCVCXKBWMDEHE-GXFFZTMASA-N -2 0 321.395 1.004 20 0 DDADRL C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2cc([O-])cc(F)c2)C1 ZINC000630444411 422106330 /nfs/dbraw/zinc/10/63/30/422106330.db2.gz YELUCYROWSJNNU-BDAKNGLRSA-N -2 0 317.338 1.263 20 0 DDADRL C[C@H]1OCC[C@@H]1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000578135449 422507101 /nfs/dbraw/zinc/50/71/01/422507101.db2.gz FWQWIJFBHBSUTN-HQJQHLMTSA-N -2 0 301.320 1.010 20 0 DDADRL COCc1n[n-]c(=N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000649403555 423863698 /nfs/dbraw/zinc/86/36/98/423863698.db2.gz IUSNWUFSRQBFNB-MNOVXSKESA-N -2 0 305.359 1.832 20 0 DDADRL O=C([O-])COc1ccc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000659761545 424230621 /nfs/dbraw/zinc/23/06/21/424230621.db2.gz AUPDBEZLUOZAPQ-NSHDSACASA-N -2 0 321.329 1.477 20 0 DDADRL C[C@@H]1CCCN(C(=O)c2cccc(OCC(=O)[O-])c2)[C@H]1C(=O)[O-] ZINC000659764320 424231504 /nfs/dbraw/zinc/23/15/04/424231504.db2.gz OWBXOJNDRHBSOR-QMTHXVAHSA-N -2 0 321.329 1.475 20 0 DDADRL CCc1oncc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000357082118 306870350 /nfs/dbraw/zinc/87/03/50/306870350.db2.gz HAARLMDFALTDRM-UHFFFAOYSA-N -2 0 310.331 1.665 20 0 DDADRL CCn1cncc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000547865901 303556655 /nfs/dbraw/zinc/55/66/55/303556655.db2.gz DXHNNZDAHSKOJC-UHFFFAOYSA-N -2 0 311.319 1.108 20 0 DDADRL O=C([O-])CC[C@H]1CCCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)C1 ZINC000663028345 484610129 /nfs/dbraw/zinc/61/01/29/484610129.db2.gz RQLYMDMWUJBDKE-BXUZGUMPSA-N -2 0 311.378 1.981 20 0 DDADRL CCN(C(=O)c1nn(-c2ccccc2F)cc1[O-])[C@@H](C)C(=O)[O-] ZINC000663124813 484688006 /nfs/dbraw/zinc/68/80/06/484688006.db2.gz RDVUUTISTXGZDK-VIFPVBQESA-N -2 0 321.308 1.652 20 0 DDADRL C[C@@H](Sc1ccccc1C(=O)N(C)CCC(=O)[O-])C(=O)[O-] ZINC000820199779 598195674 /nfs/dbraw/zinc/19/56/74/598195674.db2.gz INZTUGIASGGMKA-SECBINFHSA-N -2 0 311.359 1.799 20 0 DDADRL CC(C)CS(=O)(=O)[N-]C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736449648 600100513 /nfs/dbraw/zinc/10/05/13/600100513.db2.gz QRRBFGUVBCHXAI-UHFFFAOYSA-N -2 0 313.375 1.419 20 0 DDADRL COc1cccnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000738143346 600103908 /nfs/dbraw/zinc/10/39/08/600103908.db2.gz WSZKPWDHWXUQGV-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)CC(C)(C)C(=O)[O-] ZINC000737683300 600639925 /nfs/dbraw/zinc/63/99/25/600639925.db2.gz QFSSMILWSYEVIO-UHFFFAOYSA-N -2 0 323.301 1.611 20 0 DDADRL CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cn1 ZINC000826917544 600687338 /nfs/dbraw/zinc/68/73/38/600687338.db2.gz FZDXIZYIWOSPCP-UHFFFAOYSA-N -2 0 313.335 1.631 20 0 DDADRL O=C(/C=C/C1CC1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833092927 600941492 /nfs/dbraw/zinc/94/14/92/600941492.db2.gz PIRDUEJDBSUQHI-HWKANZROSA-N -2 0 301.345 1.217 20 0 DDADRL COc1cccnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000832632181 600981370 /nfs/dbraw/zinc/98/13/70/600981370.db2.gz CNWZXOBCPWSBSF-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)nc1 ZINC000832419554 600985876 /nfs/dbraw/zinc/98/58/76/600985876.db2.gz MHHZIQSLMMGLKO-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cccs2)C1 ZINC000833183182 601235808 /nfs/dbraw/zinc/23/58/08/601235808.db2.gz AHRSSLOLCJGUJL-DTWKUNHWSA-N -2 0 317.388 1.444 20 0 DDADRL CCc1cccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1 ZINC000830270773 601249850 /nfs/dbraw/zinc/24/98/50/601249850.db2.gz ZYOBFQZBUGILQB-UHFFFAOYSA-N -2 0 309.347 1.331 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C2CC2)s1 ZINC000833324545 601364378 /nfs/dbraw/zinc/36/43/78/601364378.db2.gz GOXYVPVYALYGHT-JGVFFNPUSA-N -2 0 315.372 1.297 20 0 DDADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1O ZINC000754826346 601604439 /nfs/dbraw/zinc/60/44/39/601604439.db2.gz HKVKLAPANCMWMN-UHFFFAOYSA-N -2 0 310.331 1.538 20 0 DDADRL O=C([O-])[C@]1(F)CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000833356753 601759873 /nfs/dbraw/zinc/75/98/73/601759873.db2.gz NGJHYRDFEFZMPT-HNNXBMFYSA-N -2 0 319.292 1.217 20 0 DDADRL Cn1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000833052579 601783682 /nfs/dbraw/zinc/78/36/82/601783682.db2.gz BGVGHTJJBQRAHJ-UHFFFAOYSA-N -2 0 324.314 1.222 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000833053451 601785444 /nfs/dbraw/zinc/78/54/44/601785444.db2.gz UMVSVVNPAQIZLO-UHFFFAOYSA-N -2 0 316.285 1.802 20 0 DDADRL CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000829973063 602080861 /nfs/dbraw/zinc/08/08/61/602080861.db2.gz QTOKEWNZIXVNRD-JTQLQIEISA-N -2 0 324.358 1.678 20 0 DDADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cncc(F)c2)c1 ZINC000833343816 602116684 /nfs/dbraw/zinc/11/66/84/602116684.db2.gz QNZNHQKYRFAVFV-UHFFFAOYSA-N -2 0 302.308 1.781 20 0 DDADRL CCN(CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)C(=O)[O-] ZINC000739394296 602864627 /nfs/dbraw/zinc/86/46/27/602864627.db2.gz BQHXKERRACHXDO-UHFFFAOYSA-N -2 0 320.754 1.145 20 0 DDADRL C[C@@H]1CN(C(=O)c2c([O-])cc(F)cc2F)CC[C@H]1NC(=O)[O-] ZINC000739163925 602869423 /nfs/dbraw/zinc/86/94/23/602869423.db2.gz QZSOAGBEGQBHNR-GMSGAONNSA-N -2 0 314.288 1.789 20 0 DDADRL CC(C)(C[N-]S(=O)(=O)c1c(F)cccc1F)NC(=O)[O-] ZINC000824011694 603470227 /nfs/dbraw/zinc/47/02/27/603470227.db2.gz ZSXAYERKBUWOMV-UHFFFAOYSA-N -2 0 308.306 1.289 20 0 DDADRL C[C@@H](CNC(=O)[O-])N(C)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000824967332 603546678 /nfs/dbraw/zinc/54/66/78/603546678.db2.gz QMBQFISZTHZYNI-JTQLQIEISA-N -2 0 318.333 1.306 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000833255403 604766216 /nfs/dbraw/zinc/76/62/16/604766216.db2.gz FRVWUQHFYNRRAH-QWHCGFSZSA-N -2 0 319.313 1.756 20 0 DDADRL Cc1ncccc1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000833008978 604883512 /nfs/dbraw/zinc/88/35/12/604883512.db2.gz GKTMNJUWFAMAKN-UHFFFAOYSA-N -2 0 320.326 1.207 20 0 DDADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2cn[nH]c2)cc1 ZINC000035764141 604946400 /nfs/dbraw/zinc/94/64/00/604946400.db2.gz HPFNNRQDCDTQGM-UHFFFAOYSA-N -2 0 311.319 1.064 20 0 DDADRL O=C([O-])N[C@H]1CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000832381868 605130707 /nfs/dbraw/zinc/13/07/07/605130707.db2.gz NYNLCXADZXLUMA-JTQLQIEISA-N -2 0 316.317 1.060 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)NCCc2cccc(C(=O)[O-])c2)C1 ZINC000834168950 605308383 /nfs/dbraw/zinc/30/83/83/605308383.db2.gz JNHOVLBYHWDUMI-WCQYABFASA-N -2 0 320.345 1.480 20 0 DDADRL O=C([O-])N1C[C@H](O)C[C@H]1C(=O)Nc1cccc(Cl)c1[O-] ZINC000834055123 605539904 /nfs/dbraw/zinc/53/99/04/605539904.db2.gz ZEOOBUIUVDHGEK-MUWHJKNJSA-N -2 0 300.698 1.097 20 0 DDADRL O=C([O-])N1CCC[C@H]([N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000739927529 605631601 /nfs/dbraw/zinc/63/16/01/605631601.db2.gz PPQHRXFFHYSCFY-QMMMGPOBSA-N -2 0 320.317 1.386 20 0 DDADRL O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000834061028 605688622 /nfs/dbraw/zinc/68/86/22/605688622.db2.gz NEPDKYBQQBDPDN-ZDUSSCGKSA-N -2 0 320.345 1.924 20 0 DDADRL O=C([O-])Cc1csc(NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)n1 ZINC000834069293 606027670 /nfs/dbraw/zinc/02/76/70/606027670.db2.gz RJRNAKFBEGKYMG-NKWVEPMBSA-N -2 0 313.335 1.145 20 0 DDADRL O=C([O-])c1ccc(CCNC(=O)[C@@H]2CSCN2C(=O)[O-])cc1 ZINC000834283956 606032085 /nfs/dbraw/zinc/03/20/85/606032085.db2.gz ZUVVHAKVECCYSM-NSHDSACASA-N -2 0 324.358 1.096 20 0 DDADRL O=C([O-])c1ccc(CCNC(=O)[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000834283416 606032154 /nfs/dbraw/zinc/03/21/54/606032154.db2.gz OKBODCRBLVTSOX-LBPRGKRZSA-N -2 0 306.318 1.043 20 0 DDADRL O=C([O-])[C@@H]1CC12CCN(C(=O)C[C@@H]1CCCN1C(=O)[O-])CC2 ZINC000834059673 606034495 /nfs/dbraw/zinc/03/44/95/606034495.db2.gz TWEXAODBFWQRBP-QWRGUYRKSA-N -2 0 310.350 1.232 20 0 DDADRL O=C([O-])CC[C@H](NC(=O)CC1CN(C(=O)[O-])C1)c1ccccc1 ZINC000834058770 606049434 /nfs/dbraw/zinc/04/94/34/606049434.db2.gz DHDKBVURMZIWEV-ZDUSSCGKSA-N -2 0 320.345 1.709 20 0 DDADRL O=C([O-])NCCCC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000834229543 606052987 /nfs/dbraw/zinc/05/29/87/606052987.db2.gz MCSONZYJAXNWBT-CYBMUJFWSA-N -2 0 306.318 1.245 20 0 DDADRL O=C([O-])CCCCCCNC(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000834058886 606056325 /nfs/dbraw/zinc/05/63/25/606056325.db2.gz FUCXFFLZDIADAX-NSHDSACASA-N -2 0 300.355 1.528 20 0 DDADRL O=C([O-])[C@@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])c1ccccc1F ZINC000833987299 606067383 /nfs/dbraw/zinc/06/73/83/606067383.db2.gz HMRXIFIOIJNHKD-RNCFNFMXSA-N -2 0 324.308 1.600 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])CC1 ZINC000834060638 606113491 /nfs/dbraw/zinc/11/34/91/606113491.db2.gz UGCZTKOUHWRWBC-NEPJUHHUSA-N -2 0 312.366 1.526 20 0 DDADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccn(C)n2)c1F ZINC000749142039 700148835 /nfs/dbraw/zinc/14/88/35/700148835.db2.gz GJNZQKDNZPJJQK-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL Cn1cnc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC000313292897 698681476 /nfs/dbraw/zinc/68/14/76/698681476.db2.gz AUOWXLNWTFGSFB-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc(-c2ccccc2Cl)on1 ZINC000816732906 702168454 /nfs/dbraw/zinc/16/84/54/702168454.db2.gz ASCASGYWCXGTMJ-UHFFFAOYSA-N -2 0 321.680 1.382 20 0 DDADRL O=C([N-]OCC1CCC1)C1(C(=O)[N-]OCC2CCC2)CCC1 ZINC000856347756 704523813 /nfs/dbraw/zinc/52/38/13/704523813.db2.gz BFWQOFPGJSWTTD-UHFFFAOYSA-N -2 0 310.394 1.853 20 0 DDADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000863952244 706044542 /nfs/dbraw/zinc/04/45/42/706044542.db2.gz PKTFWPINBPUFAG-UHFFFAOYSA-N -2 0 319.766 1.790 20 0 DDADRL Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000863953256 706044945 /nfs/dbraw/zinc/04/49/45/706044945.db2.gz QLPPUEYTKHQDKC-MNOVXSKESA-N -2 0 311.359 1.301 20 0 DDADRL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000863953789 706045479 /nfs/dbraw/zinc/04/54/79/706045479.db2.gz YXPHXSGULMOVJP-UHFFFAOYSA-N -2 0 305.739 1.256 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000863954614 706045948 /nfs/dbraw/zinc/04/59/48/706045948.db2.gz GXMRDCOOKMXGBO-JTQLQIEISA-N -2 0 307.412 1.616 20 0 DDADRL CCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000863958635 706046708 /nfs/dbraw/zinc/04/67/08/706046708.db2.gz FKPNNMXLACVZMU-LBPRGKRZSA-N -2 0 313.375 1.411 20 0 DDADRL Cc1ccccc1CS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C ZINC000863961590 706047122 /nfs/dbraw/zinc/04/71/22/706047122.db2.gz SJGVRMJKDIZOKI-GFCCVEGCSA-N -2 0 313.375 1.298 20 0 DDADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000863960319 706047169 /nfs/dbraw/zinc/04/71/69/706047169.db2.gz LXWVDHGTKLXPNP-UHFFFAOYSA-N -2 0 320.392 1.147 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])ccc1Cl ZINC000863964909 706047736 /nfs/dbraw/zinc/04/77/36/706047736.db2.gz AXRULRZDIDBLNH-UHFFFAOYSA-N -2 0 305.739 1.318 20 0 DDADRL O=C([O-])c1cccc(C(=O)n2[n-]c(C[C@H]3CCCO3)cc2=O)c1 ZINC000871962471 707256995 /nfs/dbraw/zinc/25/69/95/707256995.db2.gz CIXWCTDXZTVCNN-CYBMUJFWSA-N -2 0 316.313 1.682 20 0 DDADRL O=C([O-])c1cccc(C(=O)n2[n-]c3c(c2=O)CSCC3)c1 ZINC000871962975 707257143 /nfs/dbraw/zinc/25/71/43/707257143.db2.gz KCSFHPWMMIYIHV-JTQLQIEISA-N -2 0 304.327 1.476 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)/C=C\c2ccsc2)C1 ZINC000910181072 709800393 /nfs/dbraw/zinc/80/03/93/709800393.db2.gz BYPXDRCGKLQQEX-UGJREKFNSA-N -2 0 309.343 1.538 20 0 DDADRL Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c(C)c1 ZINC000910186007 709801972 /nfs/dbraw/zinc/80/19/72/709801972.db2.gz MAJGNVKFOWMPOL-DGCLKSJQSA-N -2 0 305.330 1.693 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccccc2Cl)C1 ZINC000910186399 709802478 /nfs/dbraw/zinc/80/24/78/709802478.db2.gz QEVJHIJVCGIEBI-KCJUWKMLSA-N -2 0 311.721 1.730 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc(Cl)c2)C1 ZINC000910186469 709802603 /nfs/dbraw/zinc/80/26/03/709802603.db2.gz RTBLSAYASQJKMX-ONGXEEELSA-N -2 0 311.721 1.730 20 0 DDADRL Cc1cccc(CCC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910187430 709802855 /nfs/dbraw/zinc/80/28/55/709802855.db2.gz CVYGXSFWMXBRHZ-KGLIPLIRSA-N -2 0 319.357 1.704 20 0 DDADRL O=C(c1cccc(Cl)c1[O-])N1CCC(c2nnn[n-]2)CC1 ZINC000913744162 713293028 /nfs/dbraw/zinc/29/30/28/713293028.db2.gz CHZABZDMAFMLQL-UHFFFAOYSA-N -2 0 307.741 1.579 20 0 DDADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)no1 ZINC001185876570 744307153 /nfs/dbraw/zinc/30/71/53/744307153.db2.gz VKPUQZGXQDWLAL-UHFFFAOYSA-N -2 0 312.303 1.491 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cncc(CO)c1 ZINC001185878721 744307810 /nfs/dbraw/zinc/30/78/10/744307810.db2.gz BYGCJOQGDSRLCK-UHFFFAOYSA-N -2 0 322.342 1.381 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnco2)ccc1Cl ZINC001188272852 744684485 /nfs/dbraw/zinc/68/44/85/744684485.db2.gz RXMHITXMXASJHH-UHFFFAOYSA-N -2 0 303.683 1.222 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1nc(C(F)(F)F)cs1 ZINC001192466382 745789521 /nfs/dbraw/zinc/78/95/21/745789521.db2.gz LBYWEWJSYYQWHX-UHFFFAOYSA-N -2 0 320.185 1.001 20 0 DDADRL Cc1conc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192683822 745862192 /nfs/dbraw/zinc/86/21/92/745862192.db2.gz VBBPBEKOYJBPID-UHFFFAOYSA-N -2 0 312.303 1.247 20 0 DDADRL O=P([O-])([O-])OCCNc1ncc2c(n1)-c1ccccc1OC2 ZINC001168585658 751174103 /nfs/dbraw/zinc/17/41/03/751174103.db2.gz ALPAMXFZAHIECE-UHFFFAOYSA-N -2 0 323.245 1.557 20 0 DDADRL O=C([O-])c1cccc(Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)c1 ZINC001175330279 777753664 /nfs/dbraw/zinc/75/36/64/777753664.db2.gz AHFMKTJTGBZHJU-UHFFFAOYSA-N -2 0 318.310 1.561 20 0 DDADRL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-]Cc1ccc(Cl)nn1 ZINC001180176549 779636574 /nfs/dbraw/zinc/63/65/74/779636574.db2.gz GCVPFOHVCNJIKN-UHFFFAOYSA-N -2 0 315.610 1.101 20 0 DDADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H](C)C(=O)[O-] ZINC001326203617 861186284 /nfs/dbraw/zinc/18/62/84/861186284.db2.gz HVHOKSUDNKQNAT-MRVPVSSYSA-N -2 0 323.374 1.856 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(Cl)nc2c1CCCC2 ZINC001157787356 864140123 /nfs/dbraw/zinc/14/01/23/864140123.db2.gz HZZHLUYJSYWMMV-UHFFFAOYSA-N -2 0 307.674 1.530 20 0 DDADRL CCc1nc(Cl)c(NCCOP(=O)([O-])[O-])c(Cl)n1 ZINC001157795411 864149260 /nfs/dbraw/zinc/14/92/60/864149260.db2.gz BPPJYRCAVHAGMU-UHFFFAOYSA-N -2 0 316.081 1.867 20 0 DDADRL O=C([O-])c1cc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)cs1 ZINC001206291642 872185865 /nfs/dbraw/zinc/18/58/65/872185865.db2.gz WAMKSHYUJJWOOC-UHFFFAOYSA-N -2 0 324.339 1.937 20 0 DDADRL CC(C)(C)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227472026 883035128 /nfs/dbraw/zinc/03/51/28/883035128.db2.gz JSSJPHLSAKSOQI-NOZJJQNGSA-N -2 0 324.329 1.426 20 0 DDADRL O=C([O-])c1cnc(F)c(Nc2ccc(S(=O)(=O)[O-])cc2)c1 ZINC001215129759 876577408 /nfs/dbraw/zinc/57/74/08/876577408.db2.gz BTVZVPYQKLBOHI-UHFFFAOYSA-N -2 0 312.278 1.909 20 0 DDADRL O=C([O-])c1cc(F)c(-c2ccc(-c3nn[nH]n3)nc2)c(F)c1 ZINC001222408207 880446150 /nfs/dbraw/zinc/44/61/50/880446150.db2.gz UJCUJVZQJXSKLL-UHFFFAOYSA-N -2 0 303.228 1.905 20 0 DDADRL CC(C)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001228100680 883333581 /nfs/dbraw/zinc/33/35/81/883333581.db2.gz RBQOSQVUXOVHID-DGCLKSJQSA-N -2 0 310.302 1.252 20 0 DDADRL CC(C)C(=O)N1CC(Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234331930 887868058 /nfs/dbraw/zinc/86/80/58/887868058.db2.gz KZFOWFLGSPIUSQ-UHFFFAOYSA-N -2 0 315.262 1.404 20 0 DDADRL COC(=O)c1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ncc1N ZINC001242159656 891354834 /nfs/dbraw/zinc/35/48/34/891354834.db2.gz PMHVPGKNYXQFJY-UHFFFAOYSA-N -2 0 316.269 1.514 20 0 DDADRL CC(=O)NCc1cc(-c2ccc(P(=O)([O-])[O-])cc2)ccc1F ZINC001242831195 891523896 /nfs/dbraw/zinc/52/38/96/891523896.db2.gz QYANYMQMFVEHPE-UHFFFAOYSA-N -2 0 323.260 1.932 20 0 DDADRL COc1c(C(=O)[O-])cccc1-c1cccc(S(=O)(=O)[O-])n1 ZINC001242921602 891550216 /nfs/dbraw/zinc/55/02/16/891550216.db2.gz RUVDCCBTHAOBLS-UHFFFAOYSA-N -2 0 309.299 1.702 20 0 DDADRL Cc1cnc(C)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC001260182923 899077045 /nfs/dbraw/zinc/07/70/45/899077045.db2.gz VZPWZABZFUXQAL-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL CCc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000433527147 529693006 /nfs/dbraw/zinc/69/30/06/529693006.db2.gz YDHSAGPHSYBDFG-UHFFFAOYSA-N -2 0 324.358 1.792 20 0 DDADRL CC[C@H](C)[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000237001123 202117136 /nfs/dbraw/zinc/11/71/36/202117136.db2.gz UGHQFRVKKPXHHL-GWCFXTLKSA-N -2 0 317.345 1.807 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000566234275 304131471 /nfs/dbraw/zinc/13/14/71/304131471.db2.gz GLWQMIOGXGRQMY-DZGCQCFKSA-N -2 0 321.373 1.936 20 0 DDADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cn(C)cn2)cc1)C(=O)[O-] ZINC000350729516 284250194 /nfs/dbraw/zinc/25/01/94/284250194.db2.gz LAYGVYIQDPQCNB-JTQLQIEISA-N -2 0 323.374 1.484 20 0 DDADRL CCOc1ccc(S(=O)(=O)[N-]c2cnoc2)cc1C(=O)[O-] ZINC000061685392 184182358 /nfs/dbraw/zinc/18/23/58/184182358.db2.gz OQRVOXNGHCRRRV-UHFFFAOYSA-N -2 0 312.303 1.572 20 0 DDADRL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000013091784 406857757 /nfs/dbraw/zinc/85/77/57/406857757.db2.gz HPLCARABZKPMFQ-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cn1 ZINC000055588777 407204746 /nfs/dbraw/zinc/20/47/46/407204746.db2.gz WISWWBGRVBMSCQ-UHFFFAOYSA-N -2 0 321.358 1.408 20 0 DDADRL C[C@@H](C(=O)[O-])N(C(=O)c1cc(F)c(F)c([O-])c1F)C1CC1 ZINC000263331166 408110118 /nfs/dbraw/zinc/11/01/18/408110118.db2.gz MBWGBFZKMIEDCF-YFKPBYRVSA-N -2 0 303.236 1.887 20 0 DDADRL Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000190932183 408343828 /nfs/dbraw/zinc/34/38/28/408343828.db2.gz XCJVXTFDXSYPLB-QMMMGPOBSA-N -2 0 309.366 1.169 20 0 DDADRL C[C@H](CN(C)C(=O)c1ccc2[n-]c(=S)oc2c1)c1nnn[n-]1 ZINC000183414242 408405862 /nfs/dbraw/zinc/40/58/62/408405862.db2.gz DQAAETJEFXCKNQ-SSDOTTSWSA-N -2 0 318.362 1.505 20 0 DDADRL Cc1ccc(-c2cc(=NC(=O)N=c3[n-]nc4ccccn43)[nH][n-]2)o1 ZINC000344999364 409591327 /nfs/dbraw/zinc/59/13/27/409591327.db2.gz KUBCKZKBUYWIEI-UHFFFAOYSA-N -2 0 323.316 1.509 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2cnn(C)c2)cc(C(=O)[O-])c1C ZINC000348452462 410970890 /nfs/dbraw/zinc/97/08/90/410970890.db2.gz HSBANGKFODHXAJ-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCCCCC(=O)[O-])C1 ZINC000422591719 227064916 /nfs/dbraw/zinc/06/49/16/227064916.db2.gz RKUKUPZJDGIIHY-MNOVXSKESA-N -2 0 300.355 1.384 20 0 DDADRL CCSc1n[n-]c(=NC(=O)N2CC[C@](C)(C(=O)[O-])C2)s1 ZINC000417719715 420460407 /nfs/dbraw/zinc/46/04/07/420460407.db2.gz CXYIHIQZPJLWOZ-NSHDSACASA-N -2 0 316.408 1.401 20 0 DDADRL O=C(NCCc1nc(=O)o[n-]1)c1c([O-])cc(Cl)cc1Cl ZINC000447636510 420789199 /nfs/dbraw/zinc/78/91/99/420789199.db2.gz JIHCRGGAPSBYTA-UHFFFAOYSA-N -2 0 318.116 1.348 20 0 DDADRL C[C@@](CNS(=O)(=O)CC1CCCCC1)(CC(=O)[O-])C(=O)[O-] ZINC000547616457 421347233 /nfs/dbraw/zinc/34/72/33/421347233.db2.gz ZLNNDYUIFIJNHK-ZDUSSCGKSA-N -2 0 321.395 1.052 20 0 DDADRL C[C@@H](C(=O)[O-])N(C)C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000514704824 421448218 /nfs/dbraw/zinc/44/82/18/421448218.db2.gz BJAVHBZYGFOZLK-QMMMGPOBSA-N -2 0 307.281 1.262 20 0 DDADRL O=C(NCCc1nc(=O)o[n-]1)c1cccc(C(F)(F)F)c1[O-] ZINC000581617276 422015610 /nfs/dbraw/zinc/01/56/10/422015610.db2.gz NPIBMEKMKYLETF-UHFFFAOYSA-N -2 0 317.223 1.060 20 0 DDADRL C[C@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2cc([O-])cc(F)c2)C1 ZINC000630444412 422107296 /nfs/dbraw/zinc/10/72/96/422107296.db2.gz YELUCYROWSJNNU-DTWKUNHWSA-N -2 0 317.338 1.263 20 0 DDADRL O=C([O-])c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cn1 ZINC000653278809 423416905 /nfs/dbraw/zinc/41/69/05/423416905.db2.gz QMQGZUGYASAUPS-ICCXJUOJSA-N -2 0 318.329 1.638 20 0 DDADRL COC(=O)[C@@H](C)CS(=O)(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000362435399 300062463 /nfs/dbraw/zinc/06/24/63/300062463.db2.gz SJHWWERKFJWEKG-ZETCQYMHSA-N -2 0 319.310 1.075 20 0 DDADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c1 ZINC000537639508 303377444 /nfs/dbraw/zinc/37/74/44/303377444.db2.gz QMQXCDKTEKSJJT-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL Cc1n[n-]c(=NC(=O)N(CC(=O)[O-])Cc2ccc(F)cc2)s1 ZINC000569427246 308143789 /nfs/dbraw/zinc/14/37/89/308143789.db2.gz WKSWNFRPAQSTPA-UHFFFAOYSA-N -2 0 324.337 1.526 20 0 DDADRL Cc1cc(C)cc([C@@H](NC(=O)N=c2[n-]ncs2)C(=O)[O-])c1 ZINC000570759695 308179023 /nfs/dbraw/zinc/17/90/23/308179023.db2.gz BTGYZDRFCPNSAN-SNVBAGLBSA-N -2 0 306.347 1.524 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000399449681 337312562 /nfs/dbraw/zinc/31/25/62/337312562.db2.gz MTEXTQFQPMNZEX-GZMMTYOYSA-N -2 0 321.345 1.988 20 0 DDADRL O=C([O-])[C@H]1C[C@H](NC(=O)C2(C(=O)[O-])CCC2)c2ccccc21 ZINC000663117784 484681964 /nfs/dbraw/zinc/68/19/64/484681964.db2.gz BADFIPOQQNFOJW-RYUDHWBXSA-N -2 0 303.314 1.671 20 0 DDADRL CCc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1 ZINC000737267762 599738800 /nfs/dbraw/zinc/73/88/00/599738800.db2.gz IPCQKZUROZXFJN-UHFFFAOYSA-N -2 0 309.347 1.331 20 0 DDADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c1 ZINC000821140832 598164706 /nfs/dbraw/zinc/16/47/06/598164706.db2.gz GLSDCYDHMCHIAV-UHFFFAOYSA-N -2 0 321.358 1.400 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cn1 ZINC000737303362 599853400 /nfs/dbraw/zinc/85/34/00/599853400.db2.gz XHGKKZNDJGVLRU-UHFFFAOYSA-N -2 0 323.374 1.721 20 0 DDADRL CC(C)[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000736374939 599884983 /nfs/dbraw/zinc/88/49/83/599884983.db2.gz MIOLSYLVFGRSGJ-LLVKDONJSA-N -2 0 320.411 1.305 20 0 DDADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cccc(C)n2)c1C(=O)[O-] ZINC000036732428 600246365 /nfs/dbraw/zinc/24/63/65/600246365.db2.gz OFYITKPJVSZERX-UHFFFAOYSA-N -2 0 310.331 2.099 20 0 DDADRL O=C([O-])c1ccc(OS(=O)(=O)c2cnc[n-]2)c(Cl)c1 ZINC000740167899 600265100 /nfs/dbraw/zinc/26/51/00/600265100.db2.gz LHXPOIKENWFOPA-UHFFFAOYSA-N -2 0 302.695 1.529 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])cc1C ZINC000316290223 600513907 /nfs/dbraw/zinc/51/39/07/600513907.db2.gz UYOJNAUJSLFDSV-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])s1 ZINC000736964481 600520316 /nfs/dbraw/zinc/52/03/16/600520316.db2.gz GGRGBSRGFKWOCE-MRVPVSSYSA-N -2 0 319.404 1.942 20 0 DDADRL CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000829208594 600941167 /nfs/dbraw/zinc/94/11/67/600941167.db2.gz MPEDMXRNDPWRTD-SSDOTTSWSA-N -2 0 305.377 1.687 20 0 DDADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000832266095 601362950 /nfs/dbraw/zinc/36/29/50/601362950.db2.gz WGOYJHBLSJLZFU-UHFFFAOYSA-N -2 0 311.319 1.226 20 0 DDADRL O=C([O-])c1ccc(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])cn1 ZINC000833131658 601900662 /nfs/dbraw/zinc/90/06/62/601900662.db2.gz BNJKFWANVXOBLT-NEPJUHHUSA-N -2 0 320.345 1.933 20 0 DDADRL O=C([O-])N1CCc2nc(NC(=O)c3ncccc3[O-])sc2C1 ZINC000740477624 602026227 /nfs/dbraw/zinc/02/62/27/602026227.db2.gz VWLRRZOJSZKHCE-UHFFFAOYSA-N -2 0 320.330 1.532 20 0 DDADRL O=C([O-])NC[C@@H]1CCN(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC000740644164 602035475 /nfs/dbraw/zinc/03/54/75/602035475.db2.gz PSIGEUVZMOIIMW-ZETCQYMHSA-N -2 0 300.261 1.400 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=NCC[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000740106733 602687757 /nfs/dbraw/zinc/68/77/57/602687757.db2.gz UXIOEVIYKWTRHM-LBPRGKRZSA-N -2 0 316.365 1.195 20 0 DDADRL CCN(CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000739395483 602865119 /nfs/dbraw/zinc/86/51/19/602865119.db2.gz QESYVHJTWVCEKJ-UHFFFAOYSA-N -2 0 320.754 1.145 20 0 DDADRL CC(C)(CC(=O)[N-]S(=O)(=O)Cc1ccccc1)NC(=O)[O-] ZINC000738734894 603160096 /nfs/dbraw/zinc/16/00/96/603160096.db2.gz KLVKFVZOGFUPRG-UHFFFAOYSA-N -2 0 314.363 1.069 20 0 DDADRL COc1cc([N-]S(=O)(=O)c2c[nH]cn2)ccc1NC(=O)[O-] ZINC000739869918 603294665 /nfs/dbraw/zinc/29/46/65/603294665.db2.gz OXGQOOWYPHEBJR-UHFFFAOYSA-N -2 0 312.307 1.309 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000826576735 603447751 /nfs/dbraw/zinc/44/77/51/603447751.db2.gz ZPIXGCFPFRKMDB-DTWKUNHWSA-N -2 0 306.384 1.057 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)CNC(=O)[O-])s1 ZINC000830415104 603784661 /nfs/dbraw/zinc/78/46/61/603784661.db2.gz PASNBWWKLYPLTH-UHFFFAOYSA-N -2 0 320.392 1.155 20 0 DDADRL CN(C(=O)[O-])[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000827889765 603844848 /nfs/dbraw/zinc/84/48/48/603844848.db2.gz LFHJWTBUTCRRDD-MRVPVSSYSA-N -2 0 308.363 1.581 20 0 DDADRL O=C([O-])NC1(CC(=O)[N-]S(=O)(=O)C2CCCCC2)CCC1 ZINC000832207369 604256102 /nfs/dbraw/zinc/25/61/02/604256102.db2.gz ZBFWMQYHXKJASG-UHFFFAOYSA-N -2 0 318.395 1.346 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)CC1(NC(=O)[O-])CCC1 ZINC000826729732 604256996 /nfs/dbraw/zinc/25/69/96/604256996.db2.gz UFWGBUOMJOFALP-JTQLQIEISA-N -2 0 320.411 1.449 20 0 DDADRL C[C@H]1CN(C(=O)c2cc(F)cc(Cl)c2[O-])C[C@H]1C(=O)[O-] ZINC000828387826 604311190 /nfs/dbraw/zinc/31/11/90/604311190.db2.gz SRZWQAYZUFPNAB-IMTBSYHQSA-N -2 0 301.701 1.977 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000736895076 604376011 /nfs/dbraw/zinc/37/60/11/604376011.db2.gz MKGUMYCGONUFJI-JTQLQIEISA-N -2 0 308.400 1.161 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCOC3(CCC3)C2)o1 ZINC000833323439 604665445 /nfs/dbraw/zinc/66/54/45/604665445.db2.gz RTQXTQDVGYKFFE-VIFPVBQESA-N -2 0 315.347 1.358 20 0 DDADRL CC(C)C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)[O-] ZINC000013299941 604882074 /nfs/dbraw/zinc/88/20/74/604882074.db2.gz KJEFHYKDKCHDLP-MRVPVSSYSA-N -2 0 321.376 1.224 20 0 DDADRL O=C(CC1CCCCC1)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000831313148 605278016 /nfs/dbraw/zinc/27/80/16/605278016.db2.gz CEZHNXQTJXBHGS-LLVKDONJSA-N -2 0 318.395 1.155 20 0 DDADRL C[C@@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833607884 605483358 /nfs/dbraw/zinc/48/33/58/605483358.db2.gz ICPVENWASRBVFP-SFYZADRCSA-N -2 0 317.388 1.687 20 0 DDADRL O=C([O-])NC[C@@H](NC(=O)c1cc(F)cc(Cl)c1[O-])C1CC1 ZINC000832427243 605648381 /nfs/dbraw/zinc/64/83/81/605648381.db2.gz HIONSSKEQNVSDQ-SNVBAGLBSA-N -2 0 316.716 1.961 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)[C@H]2CCCCN2C(=O)[O-])cc1 ZINC000834065430 605690093 /nfs/dbraw/zinc/69/00/93/605690093.db2.gz MFDIDEYEPRNEHN-GFCCVEGCSA-N -2 0 322.317 1.621 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)NC2(C(=O)[O-])CCCCC2)o1 ZINC000834247118 606032492 /nfs/dbraw/zinc/03/24/92/606032492.db2.gz SXMGCMSRMPXFGZ-UHFFFAOYSA-N -2 0 310.306 1.565 20 0 DDADRL O=C([O-])Cc1ccccc1NC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000834069116 606052911 /nfs/dbraw/zinc/05/29/11/606052911.db2.gz PQGVPUJLUNUDQV-UHFFFAOYSA-N -2 0 318.285 1.927 20 0 DDADRL O=C([O-])/C=C/c1ccc(NC(=O)[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000834061064 606055841 /nfs/dbraw/zinc/05/58/41/606055841.db2.gz NURXNJLSERMAIH-GQOHGMTASA-N -2 0 304.302 1.723 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000834172215 606057608 /nfs/dbraw/zinc/05/76/08/606057608.db2.gz JGGSWESQENSTJX-VXGBXAGGSA-N -2 0 306.318 1.437 20 0 DDADRL O=C([O-])CCCCNC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000834059702 606058121 /nfs/dbraw/zinc/05/81/21/606058121.db2.gz KDPRAGDJPYWRIJ-VXGBXAGGSA-N -2 0 314.382 1.964 20 0 DDADRL O=C([O-])[C@H](CNC(=O)[C@@H]1CCCN1C(=O)[O-])c1ccccc1 ZINC000834057526 606064971 /nfs/dbraw/zinc/06/49/71/606064971.db2.gz GAYWRTLMKZTZDO-NEPJUHHUSA-N -2 0 306.318 1.113 20 0 DDADRL O=C([O-])[C@H](CNC(=O)[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000834019469 606064996 /nfs/dbraw/zinc/06/49/96/606064996.db2.gz ONIZEZRDVBCNBF-CHWSQXEVSA-N -2 0 320.345 1.361 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)[O-])c1 ZINC000834065390 606066200 /nfs/dbraw/zinc/06/62/00/606066200.db2.gz LSSJRYBBRMBMQD-JTQLQIEISA-N -2 0 310.331 1.305 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)C[C@H]2CCCN2C(=O)[O-])c1 ZINC000834066385 606066814 /nfs/dbraw/zinc/06/68/14/606066814.db2.gz SYYWRAXGNFJQMI-GFCCVEGCSA-N -2 0 306.318 1.785 20 0 DDADRL O=C([O-])[C@H](NC(=O)[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1F ZINC000834014053 606068027 /nfs/dbraw/zinc/06/80/27/606068027.db2.gz GATNNLKTYPDKQB-JOYOIKCWSA-N -2 0 324.308 1.458 20 0 DDADRL O=C([O-])CC1(CNC(=O)[C@H]2CCN(C(=O)[O-])C2)CCCCC1 ZINC000834060906 606114016 /nfs/dbraw/zinc/11/40/16/606114016.db2.gz MKNGRSLLYHESQP-NSHDSACASA-N -2 0 312.366 1.528 20 0 DDADRL CS[C@@H](C)C(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000043007192 696152869 /nfs/dbraw/zinc/15/28/69/696152869.db2.gz WSEQCNCJIDDZOJ-VIFPVBQESA-N -2 0 320.374 1.090 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]CC(F)(F)C(=O)[O-])sc1Cl ZINC000394149907 699105858 /nfs/dbraw/zinc/10/58/58/699105858.db2.gz SDJLTQZSAJCILD-UHFFFAOYSA-N -2 0 319.738 1.708 20 0 DDADRL O=C(Nn1c(=O)[n-][nH]c1=O)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000820281413 704252157 /nfs/dbraw/zinc/25/21/57/704252157.db2.gz APTFGPBPDLVHMA-SSDOTTSWSA-N -2 0 320.202 1.489 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000863954346 706045611 /nfs/dbraw/zinc/04/56/11/706045611.db2.gz ADAZBQCTPFQQOV-CYBMUJFWSA-N -2 0 305.396 1.370 20 0 DDADRL CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000863958525 706046490 /nfs/dbraw/zinc/04/64/90/706046490.db2.gz BNEBBXPSUPKLIL-SECBINFHSA-N -2 0 315.347 1.008 20 0 DDADRL Cc1cc(F)ccc1CS(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-] ZINC000863960583 706047097 /nfs/dbraw/zinc/04/70/97/706047097.db2.gz VNGXEEGGTHUTRM-UHFFFAOYSA-N -2 0 317.338 1.191 20 0 DDADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000863964403 706047901 /nfs/dbraw/zinc/04/79/01/706047901.db2.gz UICMSZWTXLDFFR-VWYCJHECSA-N -2 0 303.380 1.266 20 0 DDADRL CC1(C)CCCC[C@@H]1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910181946 709800605 /nfs/dbraw/zinc/80/06/05/709800605.db2.gz FWQBOARYRDUPHA-IJLUTSLNSA-N -2 0 311.378 1.979 20 0 DDADRL C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccccc1 ZINC000910183064 709800874 /nfs/dbraw/zinc/80/08/74/709800874.db2.gz KQRDGWZTSDWYEW-UHTWSYAYSA-N -2 0 305.330 1.567 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000910183852 709801071 /nfs/dbraw/zinc/80/10/71/709801071.db2.gz ODKQXUZUFLOKNZ-MLGHIDQZSA-N -2 0 307.346 1.365 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCc2ccc(F)cc2)C1 ZINC000910185397 709802198 /nfs/dbraw/zinc/80/21/98/709802198.db2.gz JBAUFZGWPCFTDU-AAEUAGOBSA-N -2 0 323.320 1.535 20 0 DDADRL Cc1ccc(CC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])s1 ZINC000910189295 709804026 /nfs/dbraw/zinc/80/40/26/709804026.db2.gz RUXSVFVWCWEMGL-MWLCHTKSSA-N -2 0 311.359 1.375 20 0 DDADRL CC(C)C[C@H](CN=c1nn[n-]n1Cc1ccccc1)C(=O)[O-] ZINC000910430854 709937335 /nfs/dbraw/zinc/93/73/35/709937335.db2.gz PVYFDUFGCSZDPU-CYBMUJFWSA-N -2 0 303.366 1.302 20 0 DDADRL COc1ccc(C(=O)NCCOP(=O)([O-])[O-])c(C)c1C ZINC001188084467 744658202 /nfs/dbraw/zinc/65/82/02/744658202.db2.gz FWCIFGGHWZBMEW-UHFFFAOYSA-N -2 0 303.251 1.151 20 0 DDADRL O=C1CCC(S(=O)(=O)[N-]c2ncc(Cl)cc2[O-])CC1 ZINC001194758904 746458953 /nfs/dbraw/zinc/45/89/53/746458953.db2.gz CDUHODZGSWZBQN-UHFFFAOYSA-N -2 0 304.755 1.694 20 0 DDADRL CCOc1cnc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cn1 ZINC001198740199 747585967 /nfs/dbraw/zinc/58/59/67/747585967.db2.gz APZCIIKSJHPJIO-UHFFFAOYSA-N -2 0 323.330 1.374 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccnn1CCF ZINC001198746284 747588734 /nfs/dbraw/zinc/58/87/34/747588734.db2.gz BLYBCGUBGDDFMX-UHFFFAOYSA-N -2 0 313.310 1.352 20 0 DDADRL O=P([O-])([O-])OCCNc1ccc(COCC2CC2)cn1 ZINC001168589726 751204304 /nfs/dbraw/zinc/20/43/04/751204304.db2.gz NHDPTBXDFDYOBD-UHFFFAOYSA-N -2 0 302.267 1.529 20 0 DDADRL CC1(C)C(=O)Nc2cc(NCCOP(=O)([O-])[O-])ccc21 ZINC001168595260 751262026 /nfs/dbraw/zinc/26/20/26/751262026.db2.gz IAJMWLMAARQLNU-UHFFFAOYSA-N -2 0 300.251 1.438 20 0 DDADRL C[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000820621511 758116863 /nfs/dbraw/zinc/11/68/63/758116863.db2.gz WCNJCDVYVSZMSF-KWCYVHTRSA-N -2 0 319.357 1.642 20 0 DDADRL O=P([O-])([O-])OCCNc1ncnc2c(Cl)cccc12 ZINC001157787545 766643318 /nfs/dbraw/zinc/64/33/18/766643318.db2.gz MEUTZZGSEAYASB-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL COC(=O)c1ccc(Cl)nc1NCCOP(=O)([O-])[O-] ZINC001157788227 766648095 /nfs/dbraw/zinc/64/80/95/766648095.db2.gz WJVSHYCPDBKMNH-UHFFFAOYSA-N -2 0 310.630 1.043 20 0 DDADRL Cc1ccc2cc(C(=O)NCCOP(=O)([O-])[O-])cc(C)c2n1 ZINC001156654510 863234795 /nfs/dbraw/zinc/23/47/95/863234795.db2.gz SHDJRHZPUOMHIF-UHFFFAOYSA-N -2 0 324.273 1.691 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1c[nH]c2nccc(Cl)c12 ZINC001153107153 863711795 /nfs/dbraw/zinc/71/17/95/863711795.db2.gz YOIRXQSPJMZNNP-UHFFFAOYSA-N -2 0 319.641 1.055 20 0 DDADRL C=Cc1nc(Cl)nc(NCCOP(=O)([O-])[O-])c1OC ZINC001157795400 864149251 /nfs/dbraw/zinc/14/92/51/864149251.db2.gz BDGIKYCKPSLLNP-UHFFFAOYSA-N -2 0 309.646 1.303 20 0 DDADRL O=C([O-])COCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC001334231041 867406290 /nfs/dbraw/zinc/40/62/90/867406290.db2.gz OLWPRZIYJLOOSO-UHFFFAOYSA-N -2 0 307.224 1.354 20 0 DDADRL Cc1c(Cl)cccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225923344 882112852 /nfs/dbraw/zinc/11/28/52/882112852.db2.gz WYJQODSIQPINOB-HQJQHLMTSA-N -2 0 316.693 1.090 20 0 DDADRL C[C@@H](COC(C)(C)C)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21 ZINC001226888874 882704542 /nfs/dbraw/zinc/70/45/42/882704542.db2.gz WOWPTWVPFVHQRM-LURJTMIESA-N -2 0 310.310 1.119 20 0 DDADRL CCOc1nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ncc1OC ZINC001242159112 891354596 /nfs/dbraw/zinc/35/45/96/891354596.db2.gz HDGZHNPVWSTERP-UHFFFAOYSA-N -2 0 318.285 1.947 20 0 DDADRL CC(=O)Nc1nc(C)cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242161381 891356159 /nfs/dbraw/zinc/35/61/59/891356159.db2.gz YLIONPKSWJWASM-UHFFFAOYSA-N -2 0 315.285 1.807 20 0 DDADRL CCOC(=O)[C@@H](C)n1cc(-c2ccc(P(=O)([O-])[O-])cc2)cn1 ZINC001245334461 892089875 /nfs/dbraw/zinc/08/98/75/892089875.db2.gz PYNZDFWAJXNOFF-SNVBAGLBSA-N -2 0 324.273 1.477 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ncc(F)cc2O)c1 ZINC001260184684 899078533 /nfs/dbraw/zinc/07/85/33/899078533.db2.gz XDZWKAQVWUDURA-UHFFFAOYSA-N -2 0 312.278 1.425 20 0 DDADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cncs2)c1 ZINC001260209850 899090165 /nfs/dbraw/zinc/09/01/65/899090165.db2.gz XDBMOTIFQCWGCJ-UHFFFAOYSA-N -2 0 302.308 1.781 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ncccc2CO)cc1 ZINC001260221178 899095646 /nfs/dbraw/zinc/09/56/46/899095646.db2.gz BYAYBVJGAPFFIS-UHFFFAOYSA-N -2 0 308.315 1.073 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000092890124 185348154 /nfs/dbraw/zinc/34/81/54/185348154.db2.gz PSEXFKZTZAXBDT-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)c1 ZINC000350474627 539409545 /nfs/dbraw/zinc/40/95/45/539409545.db2.gz HDYVALXOWGSEAT-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c[nH]1 ZINC000350728735 284249931 /nfs/dbraw/zinc/24/99/31/284249931.db2.gz FPCCMEIAPKGUIX-UHFFFAOYSA-N -3 0 310.287 1.212 20 0 DDADRL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cn1 ZINC000109419060 194261938 /nfs/dbraw/zinc/26/19/38/194261938.db2.gz JDQVTJUDXJZVPI-UHFFFAOYSA-N -2 0 315.376 1.772 20 0 DDADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccn(C)n2)cc1 ZINC000342420316 409617608 /nfs/dbraw/zinc/61/76/08/409617608.db2.gz KMMAPUWKSVCRIJ-JTQLQIEISA-N -2 0 323.374 1.799 20 0 DDADRL Cn1cc(S(=O)(=O)Nc2ccc3c(c2)CCO3)cc1C(=O)[O-] ZINC000315545855 409846496 /nfs/dbraw/zinc/84/64/96/409846496.db2.gz MMIOPAJACNFVGL-UHFFFAOYSA-N -2 0 322.342 1.459 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cnc(C)nc2)cc1C(=O)[O-] ZINC000343261643 410288315 /nfs/dbraw/zinc/28/83/15/410288315.db2.gz RSXRQXWHAMZDCJ-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL c1ccc(CN=c2[n-]nc(SCc3nnn[n-]3)s2)cc1 ZINC000353214280 410858620 /nfs/dbraw/zinc/85/86/20/410858620.db2.gz FXLBDRDKCHOMCN-UHFFFAOYSA-N -2 0 305.392 1.378 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cn1 ZINC000436676272 420354066 /nfs/dbraw/zinc/35/40/66/420354066.db2.gz YWABQLSQQLWVQP-UHFFFAOYSA-N -2 0 308.315 1.595 20 0 DDADRL O=C([O-])[C@]1(CN=c2[n-]nc(-c3ccccn3)s2)CCCOC1 ZINC000630462231 422115691 /nfs/dbraw/zinc/11/56/91/422115691.db2.gz APCWGSBHPIHLNI-AWEZNQCLSA-N -2 0 320.374 1.315 20 0 DDADRL CO[C@@H](C)c1nc(=NCc2ccc(CC(=O)[O-])cc2)s[n-]1 ZINC000629382897 422643416 /nfs/dbraw/zinc/64/34/16/422643416.db2.gz QHFUOAYUYZCZHP-VIFPVBQESA-N -2 0 307.375 1.907 20 0 DDADRL COc1ccc2c(c1)[n-]cc(C(=O)N=c1nc(C)[n-]s1)c2=O ZINC000440294895 302389757 /nfs/dbraw/zinc/38/97/57/302389757.db2.gz PYBLWZDBNALMKQ-UHFFFAOYSA-N -2 0 316.342 1.371 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CC(C)(C)C)C(=O)[O-] ZINC000547889054 303558354 /nfs/dbraw/zinc/55/83/54/303558354.db2.gz PEIPVXGLKAFLAV-RNFRBKRXSA-N -2 0 305.318 1.746 20 0 DDADRL COC[C@@]1(C(=O)[O-])CCC[N@@H+]([C@@H](C)c2nc(C)cc(=O)[nH]2)C1 ZINC000570639182 308174978 /nfs/dbraw/zinc/17/49/78/308174978.db2.gz WCNZMAREONWBBS-XHDPSFHLSA-N -2 0 309.366 1.365 20 0 DDADRL CCN(C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)[C@@H](C)C(=O)[O-] ZINC000663124355 484686960 /nfs/dbraw/zinc/68/69/60/484686960.db2.gz NLOPTKLRDCQGTO-NSHDSACASA-N -2 0 317.345 1.409 20 0 DDADRL CC(C)C[C@H](CNC(=O)c1ccc(C(=O)[O-])nc1)CC(=O)[O-] ZINC000663139407 484698171 /nfs/dbraw/zinc/69/81/71/484698171.db2.gz CQQKMAPBQJGGLP-JTQLQIEISA-N -2 0 308.334 1.647 20 0 DDADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2ccccc2F)n1 ZINC000040162493 600050830 /nfs/dbraw/zinc/05/08/30/600050830.db2.gz AIEVBKXSWKPLMR-UHFFFAOYSA-N -2 0 316.335 1.710 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n(C)n1 ZINC000020008427 600052838 /nfs/dbraw/zinc/05/28/38/600052838.db2.gz UPXVDNGPXLYHCY-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)c[nH]1 ZINC000738888594 600302876 /nfs/dbraw/zinc/30/28/76/600302876.db2.gz NQRUAKBMNWUJRB-UHFFFAOYSA-N -2 0 310.335 1.287 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000829209168 601239871 /nfs/dbraw/zinc/23/98/71/601239871.db2.gz RMDPELOLQHXFRO-SDDRHHMPSA-N -2 0 319.423 1.760 20 0 DDADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000833348545 601363661 /nfs/dbraw/zinc/36/36/61/601363661.db2.gz ZDOHXMZROULXSO-JGVFFNPUSA-N -2 0 315.372 1.297 20 0 DDADRL CCc1ccc(NS(=O)(=O)C[C@H](C)C(=O)[O-])c(C(=O)[O-])c1 ZINC000830253665 601616313 /nfs/dbraw/zinc/61/63/13/601616313.db2.gz KKKYLWXLQLKYGZ-QMMMGPOBSA-N -2 0 315.347 1.410 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])no1 ZINC000832899202 601848035 /nfs/dbraw/zinc/84/80/35/601848035.db2.gz FWTSMLMCSJXXRS-UHFFFAOYSA-N -2 0 300.267 1.621 20 0 DDADRL O=C([O-])c1nscc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000833345897 602201924 /nfs/dbraw/zinc/20/19/24/602201924.db2.gz BLUMOIWTDMTKRY-ZETCQYMHSA-N -2 0 306.365 1.152 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)s1 ZINC000833323660 602307424 /nfs/dbraw/zinc/30/74/24/602307424.db2.gz XQYXITSZANJEBN-UHFFFAOYSA-N -2 0 313.360 1.848 20 0 DDADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@H]1CCSC1 ZINC000833348561 602347367 /nfs/dbraw/zinc/34/73/67/602347367.db2.gz ZRWBUXFATUDDFV-LURJTMIESA-N -2 0 321.401 1.004 20 0 DDADRL O=C([O-])N[C@H](Cc1ccccc1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000740692988 602571907 /nfs/dbraw/zinc/57/19/07/602571907.db2.gz MOEDKKMAZISNIF-CHWSQXEVSA-N -2 0 308.334 1.440 20 0 DDADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-] ZINC000736723409 602779173 /nfs/dbraw/zinc/77/91/73/602779173.db2.gz FWSNLKUBSSSHOL-SNVBAGLBSA-N -2 0 314.363 1.241 20 0 DDADRL CC(C)(CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)NC(=O)[O-] ZINC000738735505 602982553 /nfs/dbraw/zinc/98/25/53/602982553.db2.gz QLZOVLVMPMRCPL-UHFFFAOYSA-N -2 0 320.305 1.405 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2cccc(CNC(=O)[O-])c2)c1 ZINC000827705747 603631401 /nfs/dbraw/zinc/63/14/01/603631401.db2.gz DECXRBPQNFUCNQ-UHFFFAOYSA-N -2 0 324.362 1.471 20 0 DDADRL C[C@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)CCN1C(=O)[O-] ZINC000826035278 603839958 /nfs/dbraw/zinc/83/99/58/603839958.db2.gz SPJUFRUTFIIQDM-QMMMGPOBSA-N -2 0 321.358 1.941 20 0 DDADRL CC(C)(CCC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000833457362 604881474 /nfs/dbraw/zinc/88/14/74/604881474.db2.gz UHIRIXMZVYGOSV-UHFFFAOYSA-N -2 0 321.376 1.368 20 0 DDADRL CC(C)C[C@@H](NS(=O)(=O)c1ccccc1C(=O)[O-])C(=O)[O-] ZINC000833491679 604881637 /nfs/dbraw/zinc/88/16/37/604881637.db2.gz YIZACDBTYNWESQ-SNVBAGLBSA-N -2 0 315.347 1.162 20 0 DDADRL C[C@@H](CNC(=O)[O-])CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000833807544 605825867 /nfs/dbraw/zinc/82/58/67/605825867.db2.gz VOAYBCKAESJQIR-SSDOTTSWSA-N -2 0 309.347 1.750 20 0 DDADRL O=C([O-])NCCCCCCC(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000834241013 605966065 /nfs/dbraw/zinc/96/60/65/605966065.db2.gz PHWJQBLODZPYRZ-NSHDSACASA-N -2 0 324.385 1.124 20 0 DDADRL O=C([O-])Nc1ccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)cc1 ZINC000834258278 605991760 /nfs/dbraw/zinc/99/17/60/605991760.db2.gz NUOHIEAWCPJBOJ-JTQLQIEISA-N -2 0 316.321 1.309 20 0 DDADRL O=C([O-])CN(Cc1ccccc1)C(=O)C1CCN(C(=O)[O-])CC1 ZINC000834064562 606048236 /nfs/dbraw/zinc/04/82/36/606048236.db2.gz BJDCRGHFRWCFLR-UHFFFAOYSA-N -2 0 320.345 1.490 20 0 DDADRL O=C([O-])[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)[O-])c1ccccc1F ZINC000833987305 606067540 /nfs/dbraw/zinc/06/75/40/606067540.db2.gz HMRXIFIOIJNHKD-ZANVPECISA-N -2 0 324.308 1.600 20 0 DDADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cnc(C)nc2)c1C(=O)[O-] ZINC000384207123 699071186 /nfs/dbraw/zinc/07/11/86/699071186.db2.gz NOJKSRKDAXJOQU-UHFFFAOYSA-N -2 0 311.319 1.494 20 0 DDADRL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(F)(F)F ZINC000389362248 699088948 /nfs/dbraw/zinc/08/89/48/699088948.db2.gz SSFMVKJORHPACN-YFKPBYRVSA-N -2 0 315.244 1.753 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc2ccccc2n1 ZINC000739692540 699777635 /nfs/dbraw/zinc/77/76/35/699777635.db2.gz RFIXUFDQNGKYAJ-UHFFFAOYSA-N -2 0 322.342 1.159 20 0 DDADRL Cc1cc(=O)[nH]c(CN2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)n1 ZINC000830121320 706459501 /nfs/dbraw/zinc/45/95/01/706459501.db2.gz BTZGTMAWIAHHLO-STQMWFEESA-N -2 0 320.393 1.845 20 0 DDADRL O=C([O-])[C@@H]1CCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])C1 ZINC000909420773 713013721 /nfs/dbraw/zinc/01/37/21/713013721.db2.gz HDOQXFQKIPWJAI-SECBINFHSA-N -2 0 319.292 1.264 20 0 DDADRL CC(C)(CC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])CC(F)F ZINC000910181836 709800521 /nfs/dbraw/zinc/80/05/21/709800521.db2.gz GNFCDMQVHCWZNV-RKDXNWHRSA-N -2 0 321.320 1.834 20 0 DDADRL CSCC1(CC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])CC1 ZINC000910184642 709801469 /nfs/dbraw/zinc/80/14/69/709801469.db2.gz QWRXFPUYQALQRE-ZJUUUORDSA-N -2 0 315.391 1.296 20 0 DDADRL Cc1ccc(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])s1 ZINC000910189299 709804014 /nfs/dbraw/zinc/80/40/14/709804014.db2.gz RUXSVFVWCWEMGL-ONGXEEELSA-N -2 0 311.359 1.375 20 0 DDADRL CCN(CCCC(=O)[O-])S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000907106434 712488765 /nfs/dbraw/zinc/48/87/65/712488765.db2.gz TUJZVUQSMKWXBC-UHFFFAOYSA-N -2 0 321.782 1.921 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000907730339 712619408 /nfs/dbraw/zinc/61/94/08/712619408.db2.gz JMQSBMKRJPOAAS-DJZSBQJZSA-N -2 0 307.346 1.055 20 0 DDADRL O=C(C=C([O-])c1ccccc1Cl)N[C@@H]1SC(=O)[N-]C1=O ZINC001185434949 744222114 /nfs/dbraw/zinc/22/21/14/744222114.db2.gz BEUSBCWNUAFDGT-LLVKDONJSA-N -2 0 312.734 1.338 20 0 DDADRL Cc1cncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1 ZINC001185868976 744303467 /nfs/dbraw/zinc/30/34/67/744303467.db2.gz FTDMEEBMIBJBAF-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncccc1O ZINC001185876592 744307062 /nfs/dbraw/zinc/30/70/62/744307062.db2.gz WTLRWAMGUCXPEF-UHFFFAOYSA-N -2 0 308.315 1.595 20 0 DDADRL Cc1oncc1S(=O)(=O)[N-]c1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001187383638 744561891 /nfs/dbraw/zinc/56/18/91/744561891.db2.gz WXSMYTMYAZEPNO-UHFFFAOYSA-N -2 0 320.330 1.675 20 0 DDADRL O=S(=O)(CCCF)[N-]c1ncc(Br)cc1[O-] ZINC001189865291 745005435 /nfs/dbraw/zinc/00/54/35/745005435.db2.gz LVROQOGEYVQVAF-UHFFFAOYSA-N -2 0 313.148 1.651 20 0 DDADRL Cc1c(NC(=O)c2ccccc2OP(=O)([O-])[O-])ncn1C ZINC001189871267 745008543 /nfs/dbraw/zinc/00/85/43/745008543.db2.gz JVBPJOGAYAFYJW-UHFFFAOYSA-N -2 0 311.234 1.452 20 0 DDADRL CCCOCCNC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189900136 745048381 /nfs/dbraw/zinc/04/83/81/745048381.db2.gz RUHCVSFVHZTBOH-UHFFFAOYSA-N -2 0 303.251 1.315 20 0 DDADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cscn2)cc1 ZINC001192685526 745862165 /nfs/dbraw/zinc/86/21/65/745862165.db2.gz ABXPQRPHBWIRFC-UHFFFAOYSA-N -2 0 314.344 1.407 20 0 DDADRL Cc1ccc(F)cc1NC(=S)NCCOP(=O)([O-])[O-] ZINC001195931846 746739262 /nfs/dbraw/zinc/73/92/62/746739262.db2.gz LCLWGFWMNMEOLT-UHFFFAOYSA-N -2 0 308.271 1.530 20 0 DDADRL Cc1cc(OC(C)C)ccc1C(=O)NCCOP(=O)([O-])[O-] ZINC001196776350 746971399 /nfs/dbraw/zinc/97/13/99/746971399.db2.gz MAJWEYVZVMFVQW-UHFFFAOYSA-N -2 0 317.278 1.621 20 0 DDADRL CC(C)NC(=O)[C@@H](Nc1ccc(P(=O)([O-])[O-])cc1)C(C)C ZINC001170196813 766181906 /nfs/dbraw/zinc/18/19/06/766181906.db2.gz DHDGEOUDGYNHID-ZDUSSCGKSA-N -2 0 314.322 1.451 20 0 DDADRL CCOc1ccc(NC(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001202911442 860335636 /nfs/dbraw/zinc/33/56/36/860335636.db2.gz MJMKYMVITSXKQN-UHFFFAOYSA-N -2 0 304.239 1.316 20 0 DDADRL CCc1cc2c(nc(Cl)nc2NCCOP(=O)([O-])[O-])[nH]1 ZINC001157792236 864145698 /nfs/dbraw/zinc/14/56/98/864145698.db2.gz YIDMEHOQWVJOLL-UHFFFAOYSA-N -2 0 320.673 1.647 20 0 DDADRL O=C([O-])c1cc(Cl)cnc1NCC[N-]C(=O)C(F)(F)F ZINC001164243733 869050563 /nfs/dbraw/zinc/05/05/63/869050563.db2.gz CGAYIYIRRXNWFS-UHFFFAOYSA-N -2 0 311.647 1.524 20 0 DDADRL CCc1ccc(Cl)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1 ZINC001233763251 887295890 /nfs/dbraw/zinc/29/58/90/887295890.db2.gz WTULSQYIGSNWQB-SECBINFHSA-N -2 0 324.653 1.278 20 0 DDADRL COC(=O)c1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ncn1 ZINC001242159095 891353731 /nfs/dbraw/zinc/35/37/31/891353731.db2.gz GIRCYEGAHGRBQL-UHFFFAOYSA-N -2 0 302.242 1.327 20 0 DDADRL COc1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1C(N)=O ZINC001242164147 891357947 /nfs/dbraw/zinc/35/79/47/891357947.db2.gz FEUDWANWIZCOBY-UHFFFAOYSA-N -2 0 315.281 1.858 20 0 DDADRL CNC(=O)c1ncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1C ZINC001242163761 891358564 /nfs/dbraw/zinc/35/85/64/891358564.db2.gz JZEOFNKWWUVQFZ-UHFFFAOYSA-N -2 0 314.297 1.813 20 0 DDADRL O=P([O-])([O-])c1ccc(-c2ccc(CN3CC(O)C3)cc2)cc1 ZINC001243640439 891695543 /nfs/dbraw/zinc/69/55/43/891695543.db2.gz QDSUTTLHKGJCGB-UHFFFAOYSA-N -2 0 319.297 1.333 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2cncc(O)c2)cc1OC ZINC001257015645 897673018 /nfs/dbraw/zinc/67/30/18/897673018.db2.gz CSYIILOPRWGKBD-UHFFFAOYSA-N -2 0 310.331 1.605 20 0 DDADRL CN(C)C(=O)c1cccc(NS(=O)(=O)C2CCCC2)c1O ZINC001259801851 898813253 /nfs/dbraw/zinc/81/32/53/898813253.db2.gz QJOIBMRSLRGTGX-UHFFFAOYSA-N -2 0 312.391 1.778 20 0 DDADRL CCn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C)n1 ZINC001260221861 899096562 /nfs/dbraw/zinc/09/65/62/899096562.db2.gz XLJJWPOLMAKWGJ-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL Cn1cnc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000071392871 190966088 /nfs/dbraw/zinc/96/60/88/190966088.db2.gz BKXJDXXCLFUCIZ-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL CC(C)C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000094702984 193392683 /nfs/dbraw/zinc/39/26/83/193392683.db2.gz GQYQYQFELRYIBE-VIFPVBQESA-N -2 0 321.345 1.990 20 0 DDADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccnn2C)cc1)C(=O)[O-] ZINC000350741375 284252647 /nfs/dbraw/zinc/25/26/47/284252647.db2.gz OKADNDQLAGIEKS-JTQLQIEISA-N -2 0 323.374 1.484 20 0 DDADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccsc1C(=O)[O-] ZINC000035306369 182769209 /nfs/dbraw/zinc/76/92/09/182769209.db2.gz GMNAYVMCIVLGLC-UHFFFAOYSA-N -2 0 301.349 1.587 20 0 DDADRL C[C@@H]1CCN(C(=O)N=c2ccc(C3CC3)n[n-]2)C[C@@H]1C(=O)[O-] ZINC000568884084 304319581 /nfs/dbraw/zinc/31/95/81/304319581.db2.gz GLXIEWSYVPQBOU-KOLCDFICSA-N -2 0 304.350 1.350 20 0 DDADRL O=C([O-])[C@H](CCF)[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000656163064 483987098 /nfs/dbraw/zinc/98/70/98/483987098.db2.gz MCNFHPAXJUURRV-QMMMGPOBSA-N -2 0 315.244 1.195 20 0 DDADRL C[C@@H]1CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC000570277028 304403773 /nfs/dbraw/zinc/40/37/73/304403773.db2.gz USHXHRRFUFFQIW-MFKMUULPSA-N -2 0 320.345 1.637 20 0 DDADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cncc(F)c2)ccc1F ZINC000044260695 407020578 /nfs/dbraw/zinc/02/05/78/407020578.db2.gz UVJHNWKQTMYQAD-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000089426030 407134875 /nfs/dbraw/zinc/13/48/75/407134875.db2.gz CEDMSZMPNWKYKX-RKDXNWHRSA-N -2 0 319.329 1.744 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]OC/C=C/Cl ZINC000291692704 408907758 /nfs/dbraw/zinc/90/77/58/408907758.db2.gz BOGOQQKSONJXCP-SDLBARTOSA-N -2 0 302.680 1.490 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)nn1C ZINC000319473955 409897703 /nfs/dbraw/zinc/89/77/03/409897703.db2.gz RBOWYJDZIYZPFE-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000360868495 418537055 /nfs/dbraw/zinc/53/70/55/418537055.db2.gz BLKFBOFSGDAUSA-UHFFFAOYSA-N -2 0 310.331 1.719 20 0 DDADRL O=C(Nc1nncn1-c1cccnc1)c1c(F)ccc(O)c1F ZINC000368228726 418707114 /nfs/dbraw/zinc/70/71/14/418707114.db2.gz ZIHOLFZKBLKZPW-UHFFFAOYSA-N -2 0 317.255 1.898 20 0 DDADRL CC[C@@H](CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O)OC ZINC000421154371 419508256 /nfs/dbraw/zinc/50/82/56/419508256.db2.gz MQQHGBUYZPDUFC-QMMMGPOBSA-N -2 0 303.336 1.257 20 0 DDADRL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000437004444 420391405 /nfs/dbraw/zinc/39/14/05/420391405.db2.gz QQKGEMIPGUHRSL-UHFFFAOYSA-N -2 0 324.314 1.422 20 0 DDADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c1 ZINC000436785787 420366160 /nfs/dbraw/zinc/36/61/60/420366160.db2.gz GJQKMHSXQLPEHQ-UHFFFAOYSA-N -2 0 323.330 1.177 20 0 DDADRL N#Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)c(F)c1 ZINC000547617396 421348092 /nfs/dbraw/zinc/34/80/92/421348092.db2.gz NRQIZIATXPGOKB-UWVGGRQHSA-N -2 0 310.306 1.005 20 0 DDADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccco2)cc1C(=O)[O-] ZINC000516613305 421555278 /nfs/dbraw/zinc/55/52/78/421555278.db2.gz UVCINZKGWDGYER-UHFFFAOYSA-N -3 0 311.271 1.477 20 0 DDADRL Cc1cc(=O)[nH]c([C@H](C)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)n1 ZINC000521257446 421779506 /nfs/dbraw/zinc/77/95/06/421779506.db2.gz JWITYSYGNSFTSO-QPUJVOFHSA-N -2 0 319.283 1.891 20 0 DDADRL Cc1cc(=NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)[n-]nc1C ZINC000573699513 422004053 /nfs/dbraw/zinc/00/40/53/422004053.db2.gz RABGICPBKRDULE-XHDPSFHLSA-N -2 0 304.350 1.234 20 0 DDADRL Cc1ccsc1S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000582040077 422094079 /nfs/dbraw/zinc/09/40/79/422094079.db2.gz BHPVTZZBLWSHFV-MRVPVSSYSA-N -2 0 321.376 1.043 20 0 DDADRL O=C([O-])CC1(NC(=O)N=c2nc3cc(Cl)ccn3[n-]2)CCC1 ZINC000649544444 424016523 /nfs/dbraw/zinc/01/65/23/424016523.db2.gz VCSVWNYEDDWNKW-UHFFFAOYSA-N -2 0 323.740 1.324 20 0 DDADRL O=C([O-])CC1(NC(=O)N=c2ccc(C(F)(F)F)n[n-]2)CCC1 ZINC000649542359 424016671 /nfs/dbraw/zinc/01/66/71/424016671.db2.gz DDZJBBKJIBMXGU-UHFFFAOYSA-N -2 0 318.255 1.436 20 0 DDADRL CC(C)[C@@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC000655880669 424691226 /nfs/dbraw/zinc/69/12/26/424691226.db2.gz XCJXMKITPGGARK-VQXHTEKXSA-N -2 0 300.355 1.286 20 0 DDADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cnn(C)c1 ZINC000547876097 303557388 /nfs/dbraw/zinc/55/73/88/303557388.db2.gz CPSQOUNRVTWFBL-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL CO[C@@](C)(C(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000663025777 484608633 /nfs/dbraw/zinc/60/86/33/484608633.db2.gz KYPYLTAINLBPCT-BLLLJJGKSA-N -2 0 323.345 1.068 20 0 DDADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@H](C(=O)[O-])C1CC1 ZINC000663038340 484616807 /nfs/dbraw/zinc/61/68/07/484616807.db2.gz NSANPKWBISISNB-SNVBAGLBSA-N -2 0 321.358 1.466 20 0 DDADRL CCn1nccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000737312528 599966161 /nfs/dbraw/zinc/96/61/61/599966161.db2.gz SFDLJFNFJHFHJF-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL Cn1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)n1 ZINC000739037517 600099814 /nfs/dbraw/zinc/09/98/14/600099814.db2.gz ASJDXSWISZCBHI-UHFFFAOYSA-N -2 0 314.298 1.450 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1C(=O)[O-] ZINC000738829296 600229858 /nfs/dbraw/zinc/22/98/58/600229858.db2.gz PTCKNAPZSJEUHG-UHFFFAOYSA-N -2 0 317.273 1.495 20 0 DDADRL CCC/C=C\C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736975060 600271854 /nfs/dbraw/zinc/27/18/54/600271854.db2.gz PWHXZLQGLGQUOG-PLNGDYQASA-N -2 0 303.361 1.608 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cc2c(s1)CCC2 ZINC000739691939 600461678 /nfs/dbraw/zinc/46/16/78/600461678.db2.gz KVRLBABEGNEART-UHFFFAOYSA-N -2 0 317.388 1.161 20 0 DDADRL C/C(=C\C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccccc1 ZINC000736120101 600462038 /nfs/dbraw/zinc/46/20/38/600462038.db2.gz FTOHOFJAYQNBHC-ZHACJKMWSA-N -2 0 311.359 1.401 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000833228713 600947515 /nfs/dbraw/zinc/94/75/15/600947515.db2.gz WBXYCQFVXXPXAE-RYUDHWBXSA-N -2 0 317.407 1.514 20 0 DDADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2)C1 ZINC000833185856 601235067 /nfs/dbraw/zinc/23/50/67/601235067.db2.gz ZDBMTOZZMJJJPN-WDEREUQCSA-N -2 0 311.359 1.383 20 0 DDADRL Cc1cc(NS(=O)(=O)C[C@H](C)C(=O)[O-])ccc1C(=O)[O-] ZINC000832898826 601241273 /nfs/dbraw/zinc/24/12/73/601241273.db2.gz USGGWZSZMOKFJP-QMMMGPOBSA-N -2 0 301.320 1.156 20 0 DDADRL Cc1cccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1O ZINC000832972745 601241653 /nfs/dbraw/zinc/24/16/53/601241653.db2.gz HSRXTJPDKZLOKY-UHFFFAOYSA-N -2 0 323.326 1.905 20 0 DDADRL Cc1ccc(-n2[n-]c(C(=O)N[C@@H](C(=O)[O-])C3CC3)cc2=O)cc1 ZINC000832910144 601704038 /nfs/dbraw/zinc/70/40/38/601704038.db2.gz PQPQJCREGDHVQJ-CQSZACIVSA-N -2 0 315.329 1.067 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)nc2C)c1C(=O)[O-] ZINC000832952951 601771433 /nfs/dbraw/zinc/77/14/33/601771433.db2.gz OGSFPDNJPZPOAT-UHFFFAOYSA-N -2 0 310.335 1.229 20 0 DDADRL O=C([O-])c1nscc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000833346345 602155935 /nfs/dbraw/zinc/15/59/35/602155935.db2.gz IGXOVVLQTYNGPP-UHFFFAOYSA-N -2 0 312.372 1.826 20 0 DDADRL CC[C@](C)(NC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000828692788 602299184 /nfs/dbraw/zinc/29/91/84/602299184.db2.gz MHWAHHBNDOJVHI-HNNXBMFYSA-N -2 0 303.318 1.561 20 0 DDADRL CCC(CC)(CC(=O)NC[C@@H]1CCCN1C(=O)[O-])C(=O)[O-] ZINC000739247967 602593717 /nfs/dbraw/zinc/59/37/17/602593717.db2.gz BXAZYRSCQMCMJU-JTQLQIEISA-N -2 0 300.355 1.526 20 0 DDADRL O=C([O-])NC[C@@H](C(=O)[N-]O[C@H]1CCCCO1)c1ccccc1 ZINC000832407111 602786063 /nfs/dbraw/zinc/78/60/63/602786063.db2.gz FWYLQAFHBDDHJW-OLZOCXBDSA-N -2 0 308.334 1.612 20 0 DDADRL CCS(=O)(=O)[N-]C(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000827476433 603444004 /nfs/dbraw/zinc/44/40/04/603444004.db2.gz YUJCOODEAJIXOS-KOLCDFICSA-N -2 0 314.363 1.097 20 0 DDADRL O=C([O-])N1CCC(NC(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000831599342 603748090 /nfs/dbraw/zinc/74/80/90/603748090.db2.gz SHXMIYIUGXWXGT-UHFFFAOYSA-N -2 0 300.261 1.543 20 0 DDADRL O=C([O-])NC[C@@H]1CCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000832568436 603863638 /nfs/dbraw/zinc/86/36/38/603863638.db2.gz SCWFWAGXWYYQLD-VIFPVBQESA-N -2 0 321.358 1.989 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000826571879 604256827 /nfs/dbraw/zinc/25/68/27/604256827.db2.gz NVRWMXWLJWLONA-SECBINFHSA-N -2 0 308.400 1.115 20 0 DDADRL CC(C)(NC(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC000833461141 604704890 /nfs/dbraw/zinc/70/48/90/604704890.db2.gz OUGYKCREABDHOW-UHFFFAOYSA-N -2 0 302.124 1.748 20 0 DDADRL O=C([O-])C[C@@H]1CCCN1Cc1c([O-])nnn1-c1ccccc1 ZINC000833210969 604978939 /nfs/dbraw/zinc/97/89/39/604978939.db2.gz SMQBPSGMRBEOMO-LBPRGKRZSA-N -2 0 302.334 1.412 20 0 DDADRL O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCN(C(=O)[O-])C1)CC2 ZINC000834283769 605306336 /nfs/dbraw/zinc/30/63/36/605306336.db2.gz WXRLYRIIFNBRIQ-GFCCVEGCSA-N -2 0 318.329 1.269 20 0 DDADRL CC(C)(C)OCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833445799 605402213 /nfs/dbraw/zinc/40/22/13/605402213.db2.gz HREBUBHHVGCXAQ-UHFFFAOYSA-N -2 0 321.376 1.066 20 0 DDADRL C[C@@H](NC(=O)[O-])C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000833895615 605655200 /nfs/dbraw/zinc/65/52/00/605655200.db2.gz ZPEPZMDPIPSONW-SSDOTTSWSA-N -2 0 306.240 1.909 20 0 DDADRL O=C([O-])NC[C@@H](C(=O)[N-]OCc1cccnc1)c1ccccc1 ZINC000834209756 605656025 /nfs/dbraw/zinc/65/60/25/605656025.db2.gz JNHIRNBUDATXJK-CQSZACIVSA-N -2 0 315.329 1.681 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])cc1 ZINC000834065302 605689843 /nfs/dbraw/zinc/68/98/43/605689843.db2.gz JYBZYPOCKHNVIQ-RYUDHWBXSA-N -2 0 322.317 1.525 20 0 DDADRL O=C([O-])NCC1(NC(=O)c2cc(F)c([O-])c(F)c2)CCCC1 ZINC000834207517 605857378 /nfs/dbraw/zinc/85/73/78/605857378.db2.gz NGYMSOCRGAKNIY-UHFFFAOYSA-N -2 0 314.288 1.981 20 0 DDADRL O=C([O-])Nc1cccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c1 ZINC000834262557 605966192 /nfs/dbraw/zinc/96/61/92/605966192.db2.gz MIZVTZUNJQYSAM-SNVBAGLBSA-N -2 0 316.321 1.309 20 0 DDADRL O=C([O-])N[C@H]1CCC[C@@H]1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000834171812 606031866 /nfs/dbraw/zinc/03/18/66/606031866.db2.gz GNLCZUMGJTYJKJ-STQMWFEESA-N -2 0 320.345 1.480 20 0 DDADRL CCN(CCC(=O)[O-])C(=O)[C@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000833857367 606046843 /nfs/dbraw/zinc/04/68/43/606046843.db2.gz JGDKTSSVIOSZGD-RYUDHWBXSA-N -2 0 314.382 1.916 20 0 DDADRL O=C([O-])NC1(CC(=O)N[C@H](C(=O)[O-])c2ccccc2)CCC1 ZINC000834156184 606049148 /nfs/dbraw/zinc/04/91/48/606049148.db2.gz YAAJRLDYZZKHRB-LBPRGKRZSA-N -2 0 306.318 1.509 20 0 DDADRL O=C([O-])N[C@H](CC(=O)N[C@H](C(=O)[O-])C1CC1)Cc1ccccc1 ZINC000834122438 606052504 /nfs/dbraw/zinc/05/25/04/606052504.db2.gz LQRGODJQOAOLJA-JSGCOSHPSA-N -2 0 320.345 1.235 20 0 DDADRL O=C([O-])N[C@@H](CC(=O)N[C@H](C(=O)[O-])C1CC1)c1ccccc1 ZINC000834123031 606052877 /nfs/dbraw/zinc/05/28/77/606052877.db2.gz PJAMFSFXQWMRNZ-AAEUAGOBSA-N -2 0 306.318 1.365 20 0 DDADRL O=C([O-])N[C@@H](CCC(=O)N[C@H](C(=O)[O-])C1CC1)c1ccccc1 ZINC000834137741 606053438 /nfs/dbraw/zinc/05/34/38/606053438.db2.gz ONKOJXPHICNIDS-JSGCOSHPSA-N -2 0 320.345 1.755 20 0 DDADRL C[C@H](C(=O)[O-])[C@H](NC(=O)CC1CN(C(=O)[O-])C1)c1ccccc1 ZINC000833791996 606053692 /nfs/dbraw/zinc/05/36/92/606053692.db2.gz XMVCIBUKBNCBHW-HZMBPMFUSA-N -2 0 320.345 1.565 20 0 DDADRL C[C@H](C(=O)[O-])[C@H](NC(=O)CCCNC(=O)[O-])c1ccccc1 ZINC000833790155 606054063 /nfs/dbraw/zinc/05/40/63/606054063.db2.gz NJTABQIVUIGXLJ-GWCFXTLKSA-N -2 0 308.334 1.612 20 0 DDADRL O=C([O-])NC1(CC(=O)NCc2cccc(C(=O)[O-])c2)CCC1 ZINC000834155705 606057332 /nfs/dbraw/zinc/05/73/32/606057332.db2.gz PHQHBSLETSHUQN-UHFFFAOYSA-N -2 0 306.318 1.581 20 0 DDADRL O=C([O-])Nc1ccc(C(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000834258313 606062435 /nfs/dbraw/zinc/06/24/35/606062435.db2.gz VRNAXZVKULORLM-UHFFFAOYSA-N -2 0 304.258 1.998 20 0 DDADRL CCCCC[C@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])C(=O)[O-] ZINC000833853506 606067479 /nfs/dbraw/zinc/06/74/79/606067479.db2.gz QHOHKYCKYVHBLH-MNOVXSKESA-N -2 0 300.355 1.669 20 0 DDADRL Cc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000132603848 696816684 /nfs/dbraw/zinc/81/66/84/696816684.db2.gz LBZVXZXZEHMNPB-UHFFFAOYSA-N -2 0 318.257 1.760 20 0 DDADRL Cc1ccc(N(C)C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1 ZINC000155602496 696951011 /nfs/dbraw/zinc/95/10/11/696951011.db2.gz RKTAAHAEMMVEGB-UHFFFAOYSA-N -2 0 324.340 1.917 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000263460240 698508246 /nfs/dbraw/zinc/50/82/46/698508246.db2.gz VNUARKJSMHLDHJ-QPUJVOFHSA-N -2 0 324.299 1.013 20 0 DDADRL Cc1cc(NC(=O)C(=O)[N-]O[C@H]2CCCCO2)ccc1C(=O)[O-] ZINC000817882015 702508178 /nfs/dbraw/zinc/50/81/78/702508178.db2.gz UXPNTKQRJIYVGD-LBPRGKRZSA-N -2 0 322.317 1.206 20 0 DDADRL C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000851695766 703832046 /nfs/dbraw/zinc/83/20/46/703832046.db2.gz KNSLZUBZNCNAQU-OAHLLOKOSA-N -2 0 307.302 1.087 20 0 DDADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000863951687 706044846 /nfs/dbraw/zinc/04/48/46/706044846.db2.gz QMXWRIUEFIJZFQ-UHFFFAOYSA-N -2 0 313.375 1.691 20 0 DDADRL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000863953027 706045194 /nfs/dbraw/zinc/04/51/94/706045194.db2.gz IOXWORWEYGXANC-UHFFFAOYSA-N -2 0 311.359 1.091 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000863954598 706045805 /nfs/dbraw/zinc/04/58/05/706045805.db2.gz GNWOIYFSGOHDRK-VHSXEESVSA-N -2 0 307.412 1.616 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)c(F)c1 ZINC000863956987 706046192 /nfs/dbraw/zinc/04/61/92/706046192.db2.gz QYPHVKNPVZUZDH-UHFFFAOYSA-N -2 0 315.322 1.194 20 0 DDADRL CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCC(=O)[O-] ZINC000863962779 706047368 /nfs/dbraw/zinc/04/73/68/706047368.db2.gz XIIVJEZPCFRZOT-CQSZACIVSA-N -2 0 313.375 1.695 20 0 DDADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)[C@@H]2CC3CCC2CC3)CCC1 ZINC000863963690 706047512 /nfs/dbraw/zinc/04/75/12/706047512.db2.gz DVNIMFPWLDXCBY-VQXHTEKXSA-N -2 0 315.391 1.266 20 0 DDADRL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC000863965649 706047719 /nfs/dbraw/zinc/04/77/19/706047719.db2.gz KVXFDZSLPNTWFY-UHFFFAOYSA-N -2 0 321.301 1.022 20 0 DDADRL COc1cc(C(=O)[O-])ccc1-n1[n-]c(C(F)(F)F)c(F)c1=O ZINC000871955851 707254676 /nfs/dbraw/zinc/25/46/76/707254676.db2.gz UAHDEQNQCIYCHG-QMMMGPOBSA-N -2 0 320.198 1.996 20 0 DDADRL CCc1ncc(S(=O)(=O)N[C@@](C)(CC)CC(=O)[O-])s1 ZINC000829835031 706404455 /nfs/dbraw/zinc/40/44/55/706404455.db2.gz VPCFCWAIRQCYGK-NSHDSACASA-N -2 0 306.409 1.627 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)C2Cc3ccccc3C2)C1 ZINC000910181864 709800507 /nfs/dbraw/zinc/80/05/07/709800507.db2.gz DNYJMOJUYAPJRZ-JSGCOSHPSA-N -2 0 317.341 1.178 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccn3ccccc23)C1 ZINC000910181197 709800653 /nfs/dbraw/zinc/80/06/53/709800653.db2.gz ABUAEQXHMFOVSF-GWCFXTLKSA-N -2 0 316.313 1.329 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)/C=C/c2ccccc2)C1 ZINC000910183366 709800944 /nfs/dbraw/zinc/80/09/44/709800944.db2.gz BBPVUTCGESYPNU-RXFWDACYSA-N -2 0 303.314 1.476 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc(F)cc(F)c2)C1 ZINC000910184977 709801735 /nfs/dbraw/zinc/80/17/35/709801735.db2.gz HKMYQUZEVSLUFD-RDDDGLTNSA-N -2 0 313.256 1.355 20 0 DDADRL CC[C@H]1CC[C@H](C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])CC1 ZINC000910185495 709801880 /nfs/dbraw/zinc/80/18/80/709801880.db2.gz WLLHTTZVNFHYQQ-FDYHWXHSSA-N -2 0 311.378 1.979 20 0 DDADRL Cc1ccc(F)c(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910188546 709803337 /nfs/dbraw/zinc/80/33/37/709803337.db2.gz LLACWZUUPWHPAX-SKDRFNHKSA-N -2 0 309.293 1.524 20 0 DDADRL O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000910348576 709905152 /nfs/dbraw/zinc/90/51/52/709905152.db2.gz RRAGAFDFKLFJBQ-KSBSHMNSSA-N -2 0 317.700 1.404 20 0 DDADRL CO[C@@H](C)CS(=O)(=O)[N-]c1cc(C(C)=O)cc(F)c1[O-] ZINC000901952177 710183749 /nfs/dbraw/zinc/18/37/49/710183749.db2.gz GMIDVNCREXNLKT-ZETCQYMHSA-N -2 0 305.327 1.511 20 0 DDADRL C[C@@]1(C(=O)[O-])CCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000902111502 710619224 /nfs/dbraw/zinc/61/92/24/710619224.db2.gz LLSYDPLYUDSNLF-INIZCTEOSA-N -2 0 315.329 1.657 20 0 DDADRL O=C([O-])[C@@H]1CO[C@H](CCC(=O)Nc2ccc(O)c(F)c2F)C1 ZINC000911760068 710969841 /nfs/dbraw/zinc/96/98/41/710969841.db2.gz YYOSGKKTAHTNOV-JGVFFNPUSA-N -2 0 315.272 1.879 20 0 DDADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000905999135 712215900 /nfs/dbraw/zinc/21/59/00/712215900.db2.gz JCWYLNIROSCNSF-ZCFIWIBFSA-N -2 0 307.265 1.061 20 0 DDADRL Cc1ccc(CS(=O)(=O)[N-]CC(F)(F)C(=O)[O-])cc1C ZINC000906000347 712216688 /nfs/dbraw/zinc/21/66/88/712216688.db2.gz UUOQNAYDGWRFRH-UHFFFAOYSA-N -2 0 307.318 1.443 20 0 DDADRL C[C@]1(F)CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC000906995063 712458984 /nfs/dbraw/zinc/45/89/84/712458984.db2.gz IOYFEBPQAUEGQF-ZDUSSCGKSA-N -2 0 317.338 1.603 20 0 DDADRL O=C([O-])C1([N-]S(=O)(=O)c2occc2Br)CCC1 ZINC000926476675 715074018 /nfs/dbraw/zinc/07/40/18/715074018.db2.gz CYZSQRADCARHDH-UHFFFAOYSA-N -2 0 324.152 1.328 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cncc(N)c2)cc(C(=O)[O-])c1 ZINC001211542643 734732207 /nfs/dbraw/zinc/73/22/07/734732207.db2.gz MMEPXTDEOLZZPL-UHFFFAOYSA-N -2 0 307.331 1.471 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cncc(CO)c2)cc1C(=O)[O-] ZINC001184667943 744080770 /nfs/dbraw/zinc/08/07/70/744080770.db2.gz OAFFYSFOLMDBTA-UHFFFAOYSA-N -2 0 322.342 1.381 20 0 DDADRL COc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cn1 ZINC001185876427 744297078 /nfs/dbraw/zinc/29/70/78/744297078.db2.gz RQPQFQULGHXASS-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL O=C(NCc1n[nH]c(=O)[n-]1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188588257 744732695 /nfs/dbraw/zinc/73/26/95/744732695.db2.gz KZWLEDMWNFUFQF-UHFFFAOYSA-N -2 0 302.212 1.165 20 0 DDADRL C[C@@H]1COCC[C@@H]1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189898446 745047654 /nfs/dbraw/zinc/04/76/54/745047654.db2.gz CEWHXUSYFBTBAG-KOLCDFICSA-N -2 0 315.262 1.313 20 0 DDADRL C[C@H]1C[C@@H](NC(=O)c2ccccc2OP(=O)([O-])[O-])CCO1 ZINC001189898491 745047934 /nfs/dbraw/zinc/04/79/34/745047934.db2.gz DLQYXBMGZUAQSB-UWVGGRQHSA-N -2 0 315.262 1.455 20 0 DDADRL O=C1CCC(S(=O)(=O)[N-]c2cc(F)c(F)cc2[O-])CC1 ZINC001194804012 746464517 /nfs/dbraw/zinc/46/45/17/746464517.db2.gz NLGWNCGHJZXRAP-UHFFFAOYSA-N -2 0 305.302 1.924 20 0 DDADRL O=P([O-])([O-])OCCNc1csc2c1ncnc2Cl ZINC001168585739 751174131 /nfs/dbraw/zinc/17/41/31/751174131.db2.gz FGBVDONJRDSULS-UHFFFAOYSA-N -2 0 309.671 1.866 20 0 DDADRL O=P([O-])([O-])OCCNc1nnc(Cl)c2cccc(F)c21 ZINC001168585701 751174185 /nfs/dbraw/zinc/17/41/85/751174185.db2.gz CNEKDMQWGCMBDA-UHFFFAOYSA-N -2 0 321.632 1.944 20 0 DDADRL COC(=O)c1ccc(Cl)c(NCCOP(=O)([O-])[O-])n1 ZINC001157792168 766663042 /nfs/dbraw/zinc/66/30/42/766663042.db2.gz VBCRQYSIJUBDGP-UHFFFAOYSA-N -2 0 310.630 1.043 20 0 DDADRL O=C([O-])c1cc(Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)cs1 ZINC001176439301 778143683 /nfs/dbraw/zinc/14/36/83/778143683.db2.gz RURWFOMIBDMSKL-UHFFFAOYSA-N -2 0 324.339 1.622 20 0 DDADRL COc1ccc(CCC(=O)NCCOP(=O)([O-])[O-])cc1C ZINC001180484739 779779861 /nfs/dbraw/zinc/77/98/61/779779861.db2.gz WVHYTBBSXDEWNM-UHFFFAOYSA-N -2 0 317.278 1.162 20 0 DDADRL COC(=O)c1c(C)cc(C)nc1NCCOP(=O)([O-])[O-] ZINC001157791384 864143901 /nfs/dbraw/zinc/14/39/01/864143901.db2.gz MVANFGVJVHPIAW-UHFFFAOYSA-N -2 0 304.239 1.006 20 0 DDADRL Cc1nc(C2CC2)nc(Cl)c1NCCOP(=O)([O-])[O-] ZINC001157795637 864149630 /nfs/dbraw/zinc/14/96/30/864149630.db2.gz IHOWNSAPDHBWKG-UHFFFAOYSA-N -2 0 307.674 1.837 20 0 DDADRL Cc1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc(C)c1Cl ZINC001227844448 883199488 /nfs/dbraw/zinc/19/94/88/883199488.db2.gz FEVXUSJJWMAXJY-SECBINFHSA-N -2 0 324.653 1.332 20 0 DDADRL O=C(c1s[n-]c(=O)c1Cl)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001362687321 884413434 /nfs/dbraw/zinc/41/34/34/884413434.db2.gz KJCGFQYZPFYZRB-RXMQYKEDSA-N -2 0 314.758 1.035 20 0 DDADRL CC(=O)N1CCC[C@@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234335581 887878981 /nfs/dbraw/zinc/87/89/81/887878981.db2.gz LWQNPBGBYNPLKT-CYBMUJFWSA-N -2 0 315.262 1.548 20 0 DDADRL COC(=O)C1CC(Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234338981 887882455 /nfs/dbraw/zinc/88/24/55/887882455.db2.gz MZFFFCWJKMTGJF-UHFFFAOYSA-N -2 0 302.219 1.489 20 0 DDADRL CN1Cc2ccc(-c3ccc(P(=O)([O-])[O-])cc3)cc2C1=O ZINC001245649804 892222041 /nfs/dbraw/zinc/22/20/41/892222041.db2.gz BVOSKADNQOHCKL-UHFFFAOYSA-N -2 0 303.254 1.742 20 0 DDADRL COc1ccnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001260183241 899075562 /nfs/dbraw/zinc/07/55/62/899075562.db2.gz FVZGJEGOFKJDSU-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnn3ccccc23)c1 ZINC001260184578 899078155 /nfs/dbraw/zinc/07/81/55/899078155.db2.gz RGMBHEDFPRRZML-UHFFFAOYSA-N -2 0 317.326 1.833 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)on1 ZINC001260210164 899089944 /nfs/dbraw/zinc/08/99/44/899089944.db2.gz RBYOJJMXFZATEF-UHFFFAOYSA-N -2 0 314.294 1.875 20 0 DDADRL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n1 ZINC001260392508 899133215 /nfs/dbraw/zinc/13/32/15/899133215.db2.gz CMFWPCRQVTXFRB-UHFFFAOYSA-N -2 0 322.342 1.903 20 0 DDADRL COc1cc(CN=c2nc([C@@H](C)OC)[n-]s2)ccc1C(=O)[O-] ZINC000565718216 304085805 /nfs/dbraw/zinc/08/58/05/304085805.db2.gz ISHPKFUDHQBIEY-MRVPVSSYSA-N -2 0 323.374 1.986 20 0 DDADRL COCc1nc(=NC(=O)c2cc(SC)ccc2[O-])s[n-]1 ZINC000613450643 361424534 /nfs/dbraw/zinc/42/45/34/361424534.db2.gz FJKCMYRYZOFFSW-UHFFFAOYSA-N -2 0 311.388 1.786 20 0 DDADRL O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)N1CC(C(=O)[O-])C1 ZINC000621835699 365052725 /nfs/dbraw/zinc/05/27/25/365052725.db2.gz JJZWRYGGZNWBDL-CYBMUJFWSA-N -2 0 320.345 1.189 20 0 DDADRL CCC(CC)(CNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)C(=O)[O-] ZINC000626767890 367734863 /nfs/dbraw/zinc/73/48/63/367734863.db2.gz CBPZLNWMNRSHEE-WDEREUQCSA-N -2 0 314.382 1.630 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)ccc1F ZINC000061117837 184162744 /nfs/dbraw/zinc/16/27/44/184162744.db2.gz BCAQVSPNQAPQBK-UHFFFAOYSA-N -2 0 313.310 1.216 20 0 DDADRL Fc1ccc(CN=c2[n-]nc(SCc3nnn[n-]3)s2)cc1 ZINC000353277183 410896870 /nfs/dbraw/zinc/89/68/70/410896870.db2.gz WRSAGLSUXOQTRP-UHFFFAOYSA-N -2 0 323.382 1.517 20 0 DDADRL Cc1ccc(-n2[n-]c(C(=O)N[C@H](C)CC(=O)[O-])cc2=O)cc1 ZINC000427736404 419725807 /nfs/dbraw/zinc/72/58/07/419725807.db2.gz MOHWXRKFSNWMMX-SNVBAGLBSA-N -2 0 303.318 1.067 20 0 DDADRL O=C([O-])Cc1ccc(-n2[n-]c(C[C@H]3CCCO3)cc2=O)cc1 ZINC000634633041 422516949 /nfs/dbraw/zinc/51/69/49/422516949.db2.gz IEAPCFXXMZTWKG-CQSZACIVSA-N -2 0 302.330 1.976 20 0 DDADRL O=C([O-])CC1(NC(=O)c2nn(-c3ccccc3)cc2[O-])CCC1 ZINC000653321624 423439139 /nfs/dbraw/zinc/43/91/39/423439139.db2.gz WOJKHNNXYPQNOG-UHFFFAOYSA-N -2 0 315.329 1.705 20 0 DDADRL CC(C)[C@@H](CNC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000655565562 424572719 /nfs/dbraw/zinc/57/27/19/424572719.db2.gz KGQSWOIRHJXNAE-GFCCVEGCSA-N -2 0 317.345 1.665 20 0 DDADRL CC(C)(C)CCS(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000547599118 303542529 /nfs/dbraw/zinc/54/25/29/303542529.db2.gz ZBTJWKLJARFJOA-ZDUSSCGKSA-N -2 0 321.395 1.004 20 0 DDADRL O=C([O-])CCCCCNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000517935957 307438393 /nfs/dbraw/zinc/43/83/93/307438393.db2.gz JYMDRQXVLRXFFG-UHFFFAOYSA-N -2 0 319.317 1.405 20 0 DDADRL Cc1csc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])c1 ZINC000520984094 307464452 /nfs/dbraw/zinc/46/44/52/307464452.db2.gz NLZZQMRGRQSHIF-MRVPVSSYSA-N -2 0 321.376 1.043 20 0 DDADRL COc1cccc(S(=O)(=O)N[C@@](C)(C(=O)[O-])C2CC2)c1F ZINC000656179313 483998883 /nfs/dbraw/zinc/99/88/83/483998883.db2.gz DKHIVRYXOOOETQ-CYBMUJFWSA-N -2 0 317.338 1.366 20 0 DDADRL C/C=C/C[C@@H](NS(=O)(=O)c1cccc(OC)c1F)C(=O)[O-] ZINC000656179344 483998972 /nfs/dbraw/zinc/99/89/72/483998972.db2.gz GQHIEDHDYPWDDE-CDAZIORVSA-N -2 0 317.338 1.532 20 0 DDADRL CO[C@](C)(C(=O)[O-])C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000663025783 484608540 /nfs/dbraw/zinc/60/85/40/484608540.db2.gz KYPYLTAINLBPCT-WBMJQRKESA-N -2 0 323.345 1.068 20 0 DDADRL Cc1cc(C(=O)N[C@@H](C)C2CCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000677343240 486445043 /nfs/dbraw/zinc/44/50/43/486445043.db2.gz OJTTXOHGMDGMQK-QMMMGPOBSA-N -2 0 302.334 1.663 20 0 DDADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)CCC2CC2)cc1 ZINC000739226020 600203594 /nfs/dbraw/zinc/20/35/94/600203594.db2.gz UETIVBBWXICAFE-UHFFFAOYSA-N -2 0 311.359 1.521 20 0 DDADRL CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736355236 600241853 /nfs/dbraw/zinc/24/18/53/600241853.db2.gz MYRPNTDGFPTWGB-SSDOTTSWSA-N -2 0 305.377 1.543 20 0 DDADRL O=C([O-])CCSCCNC(=O)c1ccc([O-])c(Cl)c1 ZINC000739752802 600318971 /nfs/dbraw/zinc/31/89/71/600318971.db2.gz XGCCLMKWYRCJMT-UHFFFAOYSA-N -2 0 303.767 1.983 20 0 DDADRL CCC[C@@](C)(NC(=O)CSc1n[n-]c(=S)s1)C(=O)[O-] ZINC000829193948 601198097 /nfs/dbraw/zinc/19/80/97/601198097.db2.gz OXZGAHVDYFIHBZ-SNVBAGLBSA-N -2 0 321.449 1.679 20 0 DDADRL C[C@@H](CS(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C(=O)[O-] ZINC000827570462 601240925 /nfs/dbraw/zinc/24/09/25/601240925.db2.gz DLSDYWJBLVBLPP-LURJTMIESA-N -2 0 321.738 1.501 20 0 DDADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnc(C)c1 ZINC000317755280 601360831 /nfs/dbraw/zinc/36/08/31/601360831.db2.gz ZGZLOBJWTMRSAP-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL C[C@@]1(C(=O)[O-])CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000263223995 602038967 /nfs/dbraw/zinc/03/89/67/602038967.db2.gz ZMOYGQQQAWXVGV-MRXNPFEDSA-N -2 0 315.329 1.515 20 0 DDADRL O=C([O-])N1CC[C@H]([N-]S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000740505795 602569335 /nfs/dbraw/zinc/56/93/35/602569335.db2.gz DMUBDJHAFAKXNO-ZETCQYMHSA-N -2 0 324.280 1.135 20 0 DDADRL O=C([O-])N1CC[C@@H](C(=O)[N-]S(=O)(=O)CC2CCCCC2)C1 ZINC000740456403 602962146 /nfs/dbraw/zinc/96/21/46/602962146.db2.gz IOLWLBOOIWWXOL-LLVKDONJSA-N -2 0 318.395 1.013 20 0 DDADRL O=C([O-])NC[C@H]1CCCN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000832568411 603119300 /nfs/dbraw/zinc/11/93/00/603119300.db2.gz RLHSRVJTCZSBDK-SECBINFHSA-N -2 0 316.317 1.208 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000826571474 603446443 /nfs/dbraw/zinc/44/64/43/603446443.db2.gz IVRSSJTYQFGPKO-GHMZBOCLSA-N -2 0 320.411 1.305 20 0 DDADRL CCC[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1)c1nnn[n-]1 ZINC000826763354 604002713 /nfs/dbraw/zinc/00/27/13/604002713.db2.gz BJDPMMSYOUOTND-SNVBAGLBSA-N -2 0 304.310 1.561 20 0 DDADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2cccnc2)n1 ZINC000833243902 604622617 /nfs/dbraw/zinc/62/26/17/604622617.db2.gz NLCZUQPHXJLEMP-UHFFFAOYSA-N -2 0 313.360 1.356 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c(C)n1 ZINC000833733142 604702827 /nfs/dbraw/zinc/70/28/27/604702827.db2.gz JDUGGIIFJBNEFU-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826727202 605266938 /nfs/dbraw/zinc/26/69/38/605266938.db2.gz CTNXBDNFBPUUTQ-NXEZZACHSA-N -2 0 306.384 1.011 20 0 DDADRL CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000826775315 605277711 /nfs/dbraw/zinc/27/77/11/605277711.db2.gz OGVSISUIHNQLAM-QWRGUYRKSA-N -2 0 320.411 1.401 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(=O)[O-])C1 ZINC000834058362 605306439 /nfs/dbraw/zinc/30/64/39/605306439.db2.gz BYHUYMAJTROUCG-NWDGAFQWSA-N -2 0 312.366 1.622 20 0 DDADRL O=C([O-])c1cccc(CCNC(=O)[C@H]2CCCCN2C(=O)[O-])c1 ZINC000834283939 605308055 /nfs/dbraw/zinc/30/80/55/605308055.db2.gz ZLGVJOLTJGZXJS-CYBMUJFWSA-N -2 0 320.345 1.576 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)CN(CC2CC2)C(=O)[O-])C1 ZINC000834060108 605309826 /nfs/dbraw/zinc/30/98/26/605309826.db2.gz NNMFJMHSICMKEB-NSHDSACASA-N -2 0 312.366 1.480 20 0 DDADRL O=C([O-])N1CCOC[C@H]1C(=O)Nc1cc(Cl)ccc1O ZINC000834052209 605533647 /nfs/dbraw/zinc/53/36/47/605533647.db2.gz KTYOJMSEPLQFJF-VIFPVBQESA-N -2 0 300.698 1.363 20 0 DDADRL O=C([O-])N1CCCN(C(=O)c2cc(F)c(F)c([O-])c2F)CC1 ZINC000834103083 605854788 /nfs/dbraw/zinc/85/47/88/605854788.db2.gz IWSZAXIYMCEZKQ-UHFFFAOYSA-N -2 0 318.251 1.635 20 0 DDADRL O=C([O-])Nc1ccc(C(=O)N2CCC[C@@H](CCO)C2)c(O)c1 ZINC000834258597 605970742 /nfs/dbraw/zinc/97/07/42/605970742.db2.gz REXKJVJGGHAVJJ-JTQLQIEISA-N -2 0 308.334 1.717 20 0 DDADRL O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000834014385 606029648 /nfs/dbraw/zinc/02/96/48/606029648.db2.gz IVRUACMLZCHMCT-STQMWFEESA-N -2 0 320.345 1.189 20 0 DDADRL C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)[N-]O[C@H]1CCCCO1 ZINC000833829792 606030171 /nfs/dbraw/zinc/03/01/71/606030171.db2.gz KXCKLFNYPBFQDE-SUNKGSAMSA-N -2 0 300.355 1.777 20 0 DDADRL O=C([O-])N[C@@H](CC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000834123581 606033901 /nfs/dbraw/zinc/03/39/01/606033901.db2.gz YUBSMVLEJNVFSI-STQMWFEESA-N -2 0 320.345 1.709 20 0 DDADRL O=C([O-])CC1CCN(C(=O)[C@@H](NC(=O)[O-])c2ccccc2)CC1 ZINC000834059211 606035763 /nfs/dbraw/zinc/03/57/63/606035763.db2.gz APEVKDZEBUHEKX-AWEZNQCLSA-N -2 0 320.345 1.709 20 0 DDADRL O=C([O-])CCCCNC(=O)[C@@H]1c2ccccc2CCN1C(=O)[O-] ZINC000834060618 606058623 /nfs/dbraw/zinc/05/86/23/606058623.db2.gz TUQFKLQNYWSXOE-AWEZNQCLSA-N -2 0 320.345 1.635 20 0 DDADRL O=C([O-])c1ccc(F)c(NC(=O)[C@H]2CCCCN2C(=O)[O-])c1 ZINC000834283916 606067307 /nfs/dbraw/zinc/06/73/07/606067307.db2.gz YQBHZZNONOODFZ-LLVKDONJSA-N -2 0 310.281 1.995 20 0 DDADRL CC(C)C(=O)N[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000145582504 696872289 /nfs/dbraw/zinc/87/22/89/696872289.db2.gz KGPRJVHLDIRDES-UHFFFAOYSA-N -2 0 321.742 1.214 20 0 DDADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)C(F)F)OCCCO2 ZINC000817420316 702378255 /nfs/dbraw/zinc/37/82/55/702378255.db2.gz ROAFELIZITUVBE-UHFFFAOYSA-N -2 0 323.273 1.510 20 0 DDADRL CN(Cc1n[n-]c(=O)o1)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000857504623 704596682 /nfs/dbraw/zinc/59/66/82/704596682.db2.gz ZVAMWFDYPMGDTN-UHFFFAOYSA-N -2 0 317.223 1.772 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)cc1C ZINC000863952077 706044703 /nfs/dbraw/zinc/04/47/03/706044703.db2.gz JKEPIJYTQPEYSJ-UHFFFAOYSA-N -2 0 311.359 1.363 20 0 DDADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000863952448 706045022 /nfs/dbraw/zinc/04/50/22/706045022.db2.gz WXSVKZLYFULWRT-UHFFFAOYSA-N -2 0 305.377 1.444 20 0 DDADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2CCCCC2)CC=CC1 ZINC000863954231 706045523 /nfs/dbraw/zinc/04/55/23/706045523.db2.gz SAHMNXHGHBXPKC-UHFFFAOYSA-N -2 0 301.364 1.186 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC000863955377 706045895 /nfs/dbraw/zinc/04/58/95/706045895.db2.gz JUZGWHMSQDFYGM-UHFFFAOYSA-N -2 0 313.375 1.941 20 0 DDADRL Cc1cccc(CS(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])c1 ZINC000863960111 706046857 /nfs/dbraw/zinc/04/68/57/706046857.db2.gz WSMPXGMVWJFBMO-UHFFFAOYSA-N -2 0 313.375 1.586 20 0 DDADRL O=C([O-])CCC(=O)[N-]S(=O)(=O)CCc1ccccc1Cl ZINC000863965035 706047727 /nfs/dbraw/zinc/04/77/27/706047727.db2.gz RIVSJXJMGHJACU-UHFFFAOYSA-N -2 0 319.766 1.193 20 0 DDADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2cc3ccccc3o2)CCC1 ZINC000863964545 706047801 /nfs/dbraw/zinc/04/78/01/706047801.db2.gz LRMJKFOZWXRGDN-UHFFFAOYSA-N -2 0 323.326 1.493 20 0 DDADRL Cc1cc(=O)[nH]c(CN2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)n1 ZINC000830121318 706459482 /nfs/dbraw/zinc/45/94/82/706459482.db2.gz BTZGTMAWIAHHLO-OLZOCXBDSA-N -2 0 320.393 1.845 20 0 DDADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)NCC2CC=CC2)c1 ZINC000871994591 707273119 /nfs/dbraw/zinc/27/31/19/707273119.db2.gz YPSRLTGMSJFVPG-UHFFFAOYSA-N -2 0 317.313 1.908 20 0 DDADRL CC1(C)CCC(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])CC1 ZINC000910184337 709801697 /nfs/dbraw/zinc/80/16/97/709801697.db2.gz PJIJAPHHZQMCPK-RYUDHWBXSA-N -2 0 311.378 1.979 20 0 DDADRL CCc1ccc(F)cc1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910185463 709801905 /nfs/dbraw/zinc/80/19/05/709801905.db2.gz ZVUBNYSLSJUMMP-ZWNOBZJWSA-N -2 0 323.320 1.778 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CCc2ccccc2F)C1 ZINC000910186023 709802144 /nfs/dbraw/zinc/80/21/44/709802144.db2.gz MEOPZQPVQRVESU-DGCLKSJQSA-N -2 0 323.320 1.535 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CSc2ccccc2)C1 ZINC000910186590 709802741 /nfs/dbraw/zinc/80/27/41/709802741.db2.gz SANOHICSAHWDSD-PWSUYJOCSA-N -2 0 323.370 1.555 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1cccs1 ZINC000910187842 709803176 /nfs/dbraw/zinc/80/31/76/709803176.db2.gz HCJJIKUCOHEHKG-GXSJLCMTSA-N -2 0 311.359 1.457 20 0 DDADRL CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000901703652 710126027 /nfs/dbraw/zinc/12/60/27/710126027.db2.gz XUDJCTWUANGBHC-UHFFFAOYSA-N -2 0 311.378 1.837 20 0 DDADRL O=C([O-])C[C@@H]1CCCCN1S(=O)(=O)c1cc([O-])cc(F)c1 ZINC000905186970 711962675 /nfs/dbraw/zinc/96/26/75/711962675.db2.gz HMSRMWJODUGZAI-JTQLQIEISA-N -2 0 317.338 1.549 20 0 DDADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCCC(F)(F)C2)c1 ZINC000907029096 712468909 /nfs/dbraw/zinc/46/89/09/712468909.db2.gz YEJALNSDVMRJBZ-UHFFFAOYSA-N -2 0 321.301 1.510 20 0 DDADRL C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000907732122 712619834 /nfs/dbraw/zinc/61/98/34/712619834.db2.gz RJTIKXJTBWFFTP-WXCVZDNMSA-N -2 0 309.362 1.445 20 0 DDADRL CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)C(=O)[O-] ZINC000916110351 713442653 /nfs/dbraw/zinc/44/26/53/713442653.db2.gz XJTPVDSPZPFWTL-QMMMGPOBSA-N -2 0 321.738 1.180 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC000923104782 714238348 /nfs/dbraw/zinc/23/83/48/714238348.db2.gz YSSJFEYDMZAIEG-LBELIVKGSA-N -2 0 309.362 1.589 20 0 DDADRL Cc1ncc(CO)c(CNc2ccc(P(=O)([O-])[O-])cc2)c1O ZINC001167821502 738884240 /nfs/dbraw/zinc/88/42/40/738884240.db2.gz DQYNZULZMVDPNC-UHFFFAOYSA-N -2 0 324.273 1.003 20 0 DDADRL CSCC[C@@H](Nc1ccc(P(=O)([O-])[O-])cc1)C(C)(C)O ZINC001168216600 741826902 /nfs/dbraw/zinc/82/69/02/741826902.db2.gz CQSLDROQODZHHE-GFCCVEGCSA-N -2 0 319.363 1.794 20 0 DDADRL Cc1cc(CCC(=O)NCCOP(=O)([O-])[O-])cc(C)c1O ZINC001182333212 743573059 /nfs/dbraw/zinc/57/30/59/743573059.db2.gz FZZUGDXASUUESU-UHFFFAOYSA-N -2 0 317.278 1.167 20 0 DDADRL Cc1ccccc1C(C)(C)C(=O)NCCOP(=O)([O-])[O-] ZINC001182468288 743637339 /nfs/dbraw/zinc/63/73/39/743637339.db2.gz XWGWLDBWFDVFCL-UHFFFAOYSA-N -2 0 301.279 1.498 20 0 DDADRL O=C(NCCCC[P@@](=O)([O-])O)C1(c2ccc(O)cc2)CC1 ZINC001183343686 743827727 /nfs/dbraw/zinc/82/77/27/743827727.db2.gz WFBDMSYHCYGWTA-UHFFFAOYSA-N -2 0 313.290 1.498 20 0 DDADRL Cc1conc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186139675 744349451 /nfs/dbraw/zinc/34/94/51/744349451.db2.gz LYPOSYKPKRLDRY-UHFFFAOYSA-N -2 0 300.267 1.621 20 0 DDADRL Cc1conc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195189568 746540846 /nfs/dbraw/zinc/54/08/46/746540846.db2.gz KSVINNYCQLTKHC-UHFFFAOYSA-N -2 0 318.257 1.760 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnsc2)c(F)cc1F ZINC001195201666 746549007 /nfs/dbraw/zinc/54/90/07/746549007.db2.gz HBMRMMSKPDDIJQ-UHFFFAOYSA-N -2 0 320.298 1.920 20 0 DDADRL CCOc1cccnc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198738603 747585091 /nfs/dbraw/zinc/58/50/91/747585091.db2.gz AWJRLPCDSJQDEM-UHFFFAOYSA-N -2 0 322.342 1.979 20 0 DDADRL O=P([O-])([O-])OCCNc1cc2c3c(c1)CCCN3CCC2 ZINC001168592287 751226998 /nfs/dbraw/zinc/22/69/98/751226998.db2.gz PRZLJXBOGJIXMH-UHFFFAOYSA-N -2 0 312.306 1.907 20 0 DDADRL O=P([O-])([O-])c1ccc(NC[C@@H](CO)Cc2ccccc2)cc1 ZINC001169902593 762743476 /nfs/dbraw/zinc/74/34/76/762743476.db2.gz CNZFCBSOQNVDOH-AWEZNQCLSA-N -2 0 321.313 1.753 20 0 DDADRL Cc1c[nH]c2nc(Cl)nc(NCCOP(=O)([O-])[O-])c12 ZINC001157786950 766637775 /nfs/dbraw/zinc/63/77/75/766637775.db2.gz DNYMSDDLVINYPZ-UHFFFAOYSA-N -2 0 306.646 1.393 20 0 DDADRL O=P([O-])([O-])OCCN[C@@H](F)Oc1ccnc(Cl)c1 ZINC001157787842 766645312 /nfs/dbraw/zinc/64/53/12/766645312.db2.gz RFFOLQHPFQISOC-MRVPVSSYSA-N -2 0 300.610 1.066 20 0 DDADRL COc1cc([N-]S(=O)(=O)c2cncc(N)c2)ccc1C(=O)[O-] ZINC001174683875 777551594 /nfs/dbraw/zinc/55/15/94/777551594.db2.gz SZCBIZJFSRDWNE-UHFFFAOYSA-N -2 0 323.330 1.171 20 0 DDADRL O=C([O-])c1cc(-c2ccc3c(c2)S(=O)(=O)[N-]C3=O)cs1 ZINC001206283636 778234039 /nfs/dbraw/zinc/23/40/39/778234039.db2.gz FAQLNSLZYFTUQN-UHFFFAOYSA-N -2 0 309.324 1.545 20 0 DDADRL O=C([O-])C(F)(F)C(F)(F)C(=O)Nc1ccc2[nH][nH]c(=O)c2c1 ZINC001180174873 779635537 /nfs/dbraw/zinc/63/55/37/779635537.db2.gz SZICGUBUKKKOHP-UHFFFAOYSA-N -2 0 321.186 1.562 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(Cl)nc2c1CCCCC2 ZINC001157787537 864140067 /nfs/dbraw/zinc/14/00/67/864140067.db2.gz LWCNYCSTRYRRTN-UHFFFAOYSA-N -2 0 321.701 1.920 20 0 DDADRL O=P([O-])([O-])OCCNc1cnc2cc(Cl)ccc2n1 ZINC001157787824 864140142 /nfs/dbraw/zinc/14/01/42/864140142.db2.gz PZOUJORJAGHXIJ-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(Cl)nc2ncccc21 ZINC001157787871 864140315 /nfs/dbraw/zinc/14/03/15/864140315.db2.gz UBYWYSOYISFFGA-UHFFFAOYSA-N -2 0 304.630 1.199 20 0 DDADRL Cc1nc2c(nc(Cl)nc2NCCOP(=O)([O-])[O-])s1 ZINC001157791695 864145862 /nfs/dbraw/zinc/14/58/62/864145862.db2.gz QNOYQLIQWZYJIR-UHFFFAOYSA-N -2 0 324.686 1.569 20 0 DDADRL CC(C)(C)c1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001225244893 881739312 /nfs/dbraw/zinc/73/93/12/881739312.db2.gz SPHMWVAHVBKWQE-WCQYABFASA-N -2 0 324.329 1.426 20 0 DDADRL O=C([O-])C[C@@H](C(=O)Oc1cccc2ccccc21)[C@H](O)C(=O)[O-] ZINC001225269542 881752709 /nfs/dbraw/zinc/75/27/09/881752709.db2.gz RNWOACGWAKWRHJ-RISCZKNCSA-N -2 0 318.281 1.282 20 0 DDADRL O=P([O-])([O-])c1ccc(-c2cnn(Cc3cccnc3)c2)cc1 ZINC001206450477 872338651 /nfs/dbraw/zinc/33/86/51/872338651.db2.gz STEGFSJIHPULOD-UHFFFAOYSA-N -2 0 315.269 1.796 20 0 DDADRL Cc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccc1Cl ZINC001228073050 883320527 /nfs/dbraw/zinc/32/05/27/883320527.db2.gz XYJQLEHWYGKINV-GZMMTYOYSA-N -2 0 316.693 1.090 20 0 DDADRL COc1ncc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c(OC)n1 ZINC001240903705 891089742 /nfs/dbraw/zinc/08/97/42/891089742.db2.gz BSDABNPDKKRLLT-UHFFFAOYSA-N -2 0 304.258 1.557 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cncc(-c3nn[nH]n3)c2)c1 ZINC001242162917 891356388 /nfs/dbraw/zinc/35/63/88/891356388.db2.gz MTYQVKCCWSQEJE-UHFFFAOYSA-N -2 0 311.257 1.325 20 0 DDADRL NC(=O)c1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1F ZINC001242163531 891356755 /nfs/dbraw/zinc/35/67/55/891356755.db2.gz YQXRGJGMRBXKSF-UHFFFAOYSA-N -2 0 303.245 1.988 20 0 DDADRL CCOC(=O)c1nccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242160840 891356805 /nfs/dbraw/zinc/35/68/05/891356805.db2.gz RTYLWCFJORLQOV-UHFFFAOYSA-N -2 0 316.269 1.717 20 0 DDADRL O=C([O-])c1ccccc1-c1cccc2c1NC(=O)[N-]S2(=O)=O ZINC001242880337 891543150 /nfs/dbraw/zinc/54/31/50/891543150.db2.gz XWHKIEQIMHPMKZ-UHFFFAOYSA-N -2 0 318.310 1.876 20 0 DDADRL O=S(=O)([N-]c1ncc(Br)cc1[O-])C(F)(F)F ZINC001252274858 895050215 /nfs/dbraw/zinc/05/02/15/895050215.db2.gz YFMCEFPPVKLVQZ-UHFFFAOYSA-N -2 0 321.074 1.811 20 0 DDADRL O=S(=O)([N-]c1ncc(Br)cc1[O-])C(F)F ZINC001259949670 898970385 /nfs/dbraw/zinc/97/03/85/898970385.db2.gz CZBNCKWRTJMLPE-UHFFFAOYSA-N -2 0 303.084 1.514 20 0 DDADRL CCn1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(C)n1 ZINC001260183297 899076936 /nfs/dbraw/zinc/07/69/36/899076936.db2.gz IZYBIBMFPCBQDB-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL CCc1cccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n1 ZINC001260393233 899134879 /nfs/dbraw/zinc/13/48/79/899134879.db2.gz CPEJMBBODOAKMV-UHFFFAOYSA-N -2 0 322.342 1.849 20 0 DDADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)[C@H](C)C(=O)[O-])n1 ZINC000262852080 186313125 /nfs/dbraw/zinc/31/31/25/186313125.db2.gz GJUZONHVJXTYKM-SECBINFHSA-N -2 0 321.308 1.571 20 0 DDADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1F ZINC000022160710 182312019 /nfs/dbraw/zinc/31/20/19/182312019.db2.gz IKDUIDNCQXURSD-UHFFFAOYSA-N -2 0 312.322 1.972 20 0 DDADRL O=c1[n-]c(CN=c2[n-]nc(Cc3ccc(F)cc3)s2)n[nH]1 ZINC000338677354 250086668 /nfs/dbraw/zinc/08/66/68/250086668.db2.gz NHYADPNUCIVUOK-UHFFFAOYSA-N -2 0 306.326 1.126 20 0 DDADRL CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000359663025 299509903 /nfs/dbraw/zinc/50/99/03/299509903.db2.gz LTBVFUXFXJZZEW-UHFFFAOYSA-N -2 0 324.314 1.236 20 0 DDADRL Cc1[n-]n(-c2cccc(-c3ccnn3C)c2)c(=O)c1CC(=O)[O-] ZINC000568266576 304282338 /nfs/dbraw/zinc/28/23/38/304282338.db2.gz ZUMNJDAMGVCVFH-ZDUSSCGKSA-N -2 0 312.329 1.901 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c[nH]1 ZINC000070069684 406807894 /nfs/dbraw/zinc/80/78/94/406807894.db2.gz ZGDGHYHIQFRQFC-UHFFFAOYSA-N -2 0 315.738 1.871 20 0 DDADRL Cc1cc(C(=O)N[C@@H](C)CCC(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000151470002 407443191 /nfs/dbraw/zinc/44/31/91/407443191.db2.gz NHFSRPQQSQVTNJ-JTQLQIEISA-N -2 0 318.377 1.887 20 0 DDADRL COc1cc([N-]S(=O)(=O)c2c[nH]c(C)n2)ccc1C(=O)[O-] ZINC000227178073 163338110 /nfs/dbraw/zinc/33/81/10/163338110.db2.gz CDKVOFVPXNXHBR-UHFFFAOYSA-N -2 0 311.319 1.226 20 0 DDADRL Cc1ncc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)s1 ZINC000231029118 163349558 /nfs/dbraw/zinc/34/95/58/163349558.db2.gz UEFZODSJZJIISD-UHFFFAOYSA-N -2 0 312.372 1.879 20 0 DDADRL CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000314411598 164014568 /nfs/dbraw/zinc/01/45/68/164014568.db2.gz WBMJKVHQLNYLRN-UHFFFAOYSA-N -2 0 324.358 1.923 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cnn1C ZINC000348427454 410962186 /nfs/dbraw/zinc/96/21/86/410962186.db2.gz ZTJKRJZKIJQMQG-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccnn2C)c1 ZINC000356477685 411051149 /nfs/dbraw/zinc/05/11/49/411051149.db2.gz LIYDWRFFSTVFPV-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL O=C(c1cc(O)ccc1F)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000580331818 422920095 /nfs/dbraw/zinc/92/00/95/422920095.db2.gz WXQGZAMDNJRIAE-UHFFFAOYSA-N -2 0 306.297 1.375 20 0 DDADRL O=C([O-])c1cccc([N-]S(=O)(=O)CCOCC2CC2)c1O ZINC000424061463 228224041 /nfs/dbraw/zinc/22/40/41/228224041.db2.gz FNWUXNIKXPODFI-UHFFFAOYSA-N -2 0 315.347 1.259 20 0 DDADRL CO[C@@H](C)c1nc(=NC(=O)c2cc(F)c([O-])c(F)c2)s[n-]1 ZINC000436733091 229517232 /nfs/dbraw/zinc/51/72/32/229517232.db2.gz WFINLZUGXXUQSG-YFKPBYRVSA-N -2 0 315.301 1.904 20 0 DDADRL CCn1nccc1S(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000471949921 420958405 /nfs/dbraw/zinc/95/84/05/420958405.db2.gz ZNJJRKOEMIGHCL-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL CO[C@@H](CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O)C1CC1 ZINC000563135793 421461794 /nfs/dbraw/zinc/46/17/94/421461794.db2.gz NFNGGTVJEWRGRG-NSHDSACASA-N -2 0 315.347 1.257 20 0 DDADRL CN(C(=O)N=c1[n-]ncs1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000516947520 421581797 /nfs/dbraw/zinc/58/17/97/421581797.db2.gz QIMGFVIYNUUAST-JTQLQIEISA-N -2 0 306.347 1.120 20 0 DDADRL C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1cc([O-])cc(F)c1 ZINC000630444375 422106166 /nfs/dbraw/zinc/10/61/66/422106166.db2.gz XUOOZYBEWIPFRA-RKDXNWHRSA-N -2 0 317.338 1.405 20 0 DDADRL O=C([O-])Cc1ccc(CN=c2[n-]c(C3CCOCC3)no2)cc1 ZINC000629383054 422642780 /nfs/dbraw/zinc/64/27/80/422642780.db2.gz XFHUFZQTCIHRIG-UHFFFAOYSA-N -2 0 317.345 1.625 20 0 DDADRL CC(C)C[C@@H](CNC(=O)NC[C@@H](C(=O)[O-])C1CCC1)C(=O)[O-] ZINC000665313915 424780996 /nfs/dbraw/zinc/78/09/96/424780996.db2.gz YDUJNIPFEIRACQ-NWDGAFQWSA-N -2 0 314.382 1.533 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)[O-] ZINC000547889057 303558276 /nfs/dbraw/zinc/55/82/76/303558276.db2.gz PEIPVXGLKAFLAV-RQJHMYQMSA-N -2 0 305.318 1.746 20 0 DDADRL C/C=C/C[C@H](NS(=O)(=O)c1cnc(CC)s1)C(=O)[O-] ZINC000582358367 326017876 /nfs/dbraw/zinc/01/78/76/326017876.db2.gz SXSSATDTAXDUFQ-WGAJWPLOSA-N -2 0 304.393 1.403 20 0 DDADRL O=C([O-])[C@@H](CCF)[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000656163063 483987393 /nfs/dbraw/zinc/98/73/93/483987393.db2.gz MCNFHPAXJUURRV-MRVPVSSYSA-N -2 0 315.244 1.195 20 0 DDADRL C[C@H]1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC000663058605 484633933 /nfs/dbraw/zinc/63/39/33/484633933.db2.gz VZWKZWWZLLDQEU-GWCFXTLKSA-N -2 0 321.329 1.333 20 0 DDADRL CC(C)(C(=O)[O-])n1cc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cn1 ZINC000663128154 484690256 /nfs/dbraw/zinc/69/02/56/484690256.db2.gz FCTFOIJAVXJVCA-OAHLLOKOSA-N -2 0 321.333 1.452 20 0 DDADRL CC(C)C[C@@H](CNC(=O)N=c1[n-]nc2ccccn21)C(=O)[O-] ZINC000424381294 528322493 /nfs/dbraw/zinc/32/24/93/528322493.db2.gz MSCNZOQGHSAIGP-JTQLQIEISA-N -2 0 305.338 1.020 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000832918221 601613384 /nfs/dbraw/zinc/61/33/84/601613384.db2.gz CDCQZVQZNOHXIT-MRVPVSSYSA-N -2 0 301.320 1.156 20 0 DDADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000821544180 598160162 /nfs/dbraw/zinc/16/01/62/598160162.db2.gz HVJXZYHVHZBPGD-UHFFFAOYSA-N -2 0 323.301 1.643 20 0 DDADRL CCN(CCC(=O)[O-])C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000737095087 600659054 /nfs/dbraw/zinc/65/90/54/600659054.db2.gz RPEMCEWWCMGGCR-UHFFFAOYSA-N -2 0 317.345 1.411 20 0 DDADRL O=C([O-])c1ccsc1NC(=O)C(=O)[N-]OCc1ccccc1 ZINC000833148910 600878162 /nfs/dbraw/zinc/87/81/62/600878162.db2.gz UETHQTWGKUABTR-UHFFFAOYSA-N -2 0 320.326 1.633 20 0 DDADRL C[C@H]1CN(C(=O)CSc2n[n-]c(=S)s2)C[C@@H]1C(=O)[O-] ZINC000828340521 601759447 /nfs/dbraw/zinc/75/94/47/601759447.db2.gz IZRKCBIGGVAPNE-WDSKDSINSA-N -2 0 319.433 1.098 20 0 DDADRL CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000829305419 601843023 /nfs/dbraw/zinc/84/30/23/601843023.db2.gz WRNYIMZCMYCMEW-UHFFFAOYSA-N -2 0 307.412 1.904 20 0 DDADRL CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000736375261 602325205 /nfs/dbraw/zinc/32/52/05/602325205.db2.gz NGKWYMKFGLVVDB-JTQLQIEISA-N -2 0 320.305 1.261 20 0 DDADRL CCC[C@@H](NC(=O)[O-])C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000739322447 602472989 /nfs/dbraw/zinc/47/29/89/602472989.db2.gz OJUPLJXIMKVMRP-SNVBAGLBSA-N -2 0 320.305 1.405 20 0 DDADRL CN(CCNC(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)[O-] ZINC000739699674 602573326 /nfs/dbraw/zinc/57/33/26/602573326.db2.gz VDAVAWUBWJBPFK-UHFFFAOYSA-N -2 0 322.296 1.057 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=NC[C@@H](NC(=O)[O-])C(C)C)cc1 ZINC000740105179 602781961 /nfs/dbraw/zinc/78/19/61/602781961.db2.gz GDFYXKLUXGEDPT-GFCCVEGCSA-N -2 0 304.354 1.097 20 0 DDADRL CCS(=O)(=O)[N-]C(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000827476435 603443899 /nfs/dbraw/zinc/44/38/99/603443899.db2.gz YUJCOODEAJIXOS-MWLCHTKSSA-N -2 0 314.363 1.097 20 0 DDADRL O=C([O-])N1CCCN(C(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000832015323 603683077 /nfs/dbraw/zinc/68/30/77/603683077.db2.gz LKKWWFDVKPCIDU-UHFFFAOYSA-N -2 0 321.358 1.942 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000826729473 604187975 /nfs/dbraw/zinc/18/79/75/604187975.db2.gz SRUNYCDPMGBHTC-ZWNOBZJWSA-N -2 0 320.411 1.259 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)CC1(NC(=O)[O-])CCC1 ZINC000826729733 604256984 /nfs/dbraw/zinc/25/69/84/604256984.db2.gz UFWGBUOMJOFALP-SNVBAGLBSA-N -2 0 320.411 1.449 20 0 DDADRL CN(CCCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-])C(=O)[O-] ZINC000830763465 604370900 /nfs/dbraw/zinc/37/09/00/604370900.db2.gz ZBYUHXDWPUXBJB-GFCCVEGCSA-N -2 0 308.334 1.189 20 0 DDADRL CC(=O)c1ccc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)cc1 ZINC000316452712 604889595 /nfs/dbraw/zinc/88/95/95/604889595.db2.gz SYLJMAOYBYYVQX-UHFFFAOYSA-N -2 0 320.326 1.783 20 0 DDADRL Cc1nc(C(C)C)[nH]c(=O)c1C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000830709376 605717183 /nfs/dbraw/zinc/71/71/83/605717183.db2.gz JJFORJFHNLACJO-JTQLQIEISA-N -2 0 322.365 1.486 20 0 DDADRL O=C([O-])Nc1ccc(NC(=O)C(=O)[N-]OC2CCCC2)cn1 ZINC000834262300 605957983 /nfs/dbraw/zinc/95/79/83/605957983.db2.gz JQAVTWMOHHXGGZ-UHFFFAOYSA-N -2 0 308.294 1.100 20 0 DDADRL O=C([O-])N[C@H]1CC[C@@H](C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000834168801 606027634 /nfs/dbraw/zinc/02/76/34/606027634.db2.gz IETTWSZRZKUSHR-NEPJUHHUSA-N -2 0 306.318 1.437 20 0 DDADRL O=C([O-])C[C@H](NC(=O)CC1CN(C(=O)[O-])C1)c1cccs1 ZINC000834060310 606034273 /nfs/dbraw/zinc/03/42/73/606034273.db2.gz HMSJVILMMQYIGA-VIFPVBQESA-N -2 0 312.347 1.380 20 0 DDADRL O=C([O-])[C@@H]1CC12CCN(C(=O)C[C@H]1CCCN1C(=O)[O-])CC2 ZINC000834059671 606034291 /nfs/dbraw/zinc/03/42/91/606034291.db2.gz TWEXAODBFWQRBP-MNOVXSKESA-N -2 0 310.350 1.232 20 0 DDADRL O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000834060687 606048459 /nfs/dbraw/zinc/04/84/59/606048459.db2.gz IVVJRFKGXUALQM-STQMWFEESA-N -2 0 318.329 1.024 20 0 DDADRL CC(C)C[C@H](CNC(=O)[C@H]1CCCCN1C(=O)[O-])C(=O)[O-] ZINC000833796785 606063212 /nfs/dbraw/zinc/06/32/12/606063212.db2.gz ZQSGFXUAFKAQGX-GHMZBOCLSA-N -2 0 300.355 1.382 20 0 DDADRL O=C([O-])N[C@@H](CC(=O)NCC1(C(=O)[O-])CCC1)c1ccccc1 ZINC000834125753 606063724 /nfs/dbraw/zinc/06/37/24/606063724.db2.gz SVGHNZHYTDSUGC-LBPRGKRZSA-N -2 0 320.345 1.757 20 0 DDADRL COC[C@@](C)(CC(=O)[O-])NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000833722374 606068825 /nfs/dbraw/zinc/06/88/25/606068825.db2.gz SMOMANTYFLCRKP-CQSZACIVSA-N -2 0 310.306 1.386 20 0 DDADRL CSc1[n-]c(=O)c(C(=O)[N-]OCCC(F)(F)F)cc1C#N ZINC000154885635 696938934 /nfs/dbraw/zinc/93/89/34/696938934.db2.gz UDKVHAVMSYNBLL-UHFFFAOYSA-N -2 0 321.280 1.582 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]Cc1cccc(C(=O)[O-])c1 ZINC000776531774 698113543 /nfs/dbraw/zinc/11/35/43/698113543.db2.gz SIIXXVARTUGVRQ-ZETCQYMHSA-N -2 0 311.281 1.755 20 0 DDADRL CC(C)(CC(=O)[N-]S(=O)(=O)CC1CCCCC1)NC(=O)[O-] ZINC000738735575 699765543 /nfs/dbraw/zinc/76/55/43/699765543.db2.gz UBWUYIOCKPSSPR-UHFFFAOYSA-N -2 0 320.411 1.449 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cnn1C ZINC000756804518 700641475 /nfs/dbraw/zinc/64/14/75/700641475.db2.gz QHEVTRQJWSSUQF-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]Oc1ccccc1 ZINC000816683901 702149309 /nfs/dbraw/zinc/14/93/09/702149309.db2.gz DOUHEAKBVKCBEW-JTQLQIEISA-N -2 0 304.268 1.800 20 0 DDADRL O=C([O-])CCCNN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000843263347 702851418 /nfs/dbraw/zinc/85/14/18/702851418.db2.gz AHRWEQVUHDRASV-UHFFFAOYSA-N -2 0 306.362 1.934 20 0 DDADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]Oc1ccccc1F ZINC000874910113 705224390 /nfs/dbraw/zinc/22/43/90/705224390.db2.gz LMABJKVQCQKYPL-UHFFFAOYSA-N -2 0 308.231 1.693 20 0 DDADRL O=C([O-])CC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2)CCC1 ZINC000863952662 706044935 /nfs/dbraw/zinc/04/49/35/706044935.db2.gz BNNDMTGJODPYQN-UHFFFAOYSA-N -2 0 311.359 1.278 20 0 DDADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1cccs1)C1CCCC1 ZINC000863952368 706045185 /nfs/dbraw/zinc/04/51/85/706045185.db2.gz UIUWQPQLSZWLOT-JTQLQIEISA-N -2 0 317.388 1.444 20 0 DDADRL CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])cc1 ZINC000863956815 706046317 /nfs/dbraw/zinc/04/63/17/706046317.db2.gz HGVQKIAQBWHBOB-UHFFFAOYSA-N -2 0 315.347 1.144 20 0 DDADRL Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)cc1 ZINC000863961478 706046950 /nfs/dbraw/zinc/04/69/50/706046950.db2.gz MMISCAAHTWWPEV-LBPRGKRZSA-N -2 0 311.359 1.052 20 0 DDADRL Cc1cccc(CO[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)n1 ZINC000898931762 708927393 /nfs/dbraw/zinc/92/73/93/708927393.db2.gz CASDSDYJLJALAW-UHFFFAOYSA-N -2 0 319.283 1.395 20 0 DDADRL O=C([O-])[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)C1CCOCC1 ZINC000910016265 709737000 /nfs/dbraw/zinc/73/70/00/709737000.db2.gz STUXJWYVYNJRQS-LBPRGKRZSA-N -2 0 313.737 1.655 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC000910181350 709800352 /nfs/dbraw/zinc/80/03/52/709800352.db2.gz CVTLZZUUGVRODO-UTUOFQBUSA-N -2 0 309.362 1.733 20 0 DDADRL CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910185177 709801620 /nfs/dbraw/zinc/80/16/20/709801620.db2.gz VHYDMINNOSLHRS-KXNHARMFSA-N -2 0 311.378 1.835 20 0 DDADRL Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])sc1C ZINC000910185395 709802085 /nfs/dbraw/zinc/80/20/85/709802085.db2.gz JATMNWCNIXTYHE-VHSXEESVSA-N -2 0 311.359 1.755 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCCc2ccccc2)C1 ZINC000910189238 709804191 /nfs/dbraw/zinc/80/41/91/709804191.db2.gz RKAJDGNGYKTFOK-KBPBESRZSA-N -2 0 319.357 1.786 20 0 DDADRL O=C([O-])c1cn(CC(=O)[N-]OC[C@H]2CCOC2)c2ccccc12 ZINC000911803240 711001457 /nfs/dbraw/zinc/00/14/57/711001457.db2.gz OJFZKVNGLPUDKQ-NSHDSACASA-N -2 0 318.329 1.424 20 0 DDADRL CC(C)N(CC(=O)[O-])C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000908917535 712886534 /nfs/dbraw/zinc/88/65/34/712886534.db2.gz BTPHRBVAMXSGMH-UHFFFAOYSA-N -2 0 321.308 1.652 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)nn1 ZINC001184652679 744078708 /nfs/dbraw/zinc/07/87/08/744078708.db2.gz FCBOGZKKIYTJHO-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C)nc1C ZINC001185877645 744306980 /nfs/dbraw/zinc/30/69/80/744306980.db2.gz RLUYZCUDOQZQQD-UHFFFAOYSA-N -2 0 321.358 1.901 20 0 DDADRL Nc1cccnc1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189860661 745003543 /nfs/dbraw/zinc/00/35/43/745003543.db2.gz MEUDXXDKVAWMIO-UHFFFAOYSA-N -2 0 309.218 1.388 20 0 DDADRL CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1c([O-])cc(F)cc1F ZINC001193052553 745973599 /nfs/dbraw/zinc/97/35/99/745973599.db2.gz UUILOFHCVGTCRO-UHFFFAOYSA-N -2 0 323.317 1.754 20 0 DDADRL CC(C)Oc1ccc(C(=O)NCCOP(=O)([O-])[O-])cc1O ZINC001198297588 747440626 /nfs/dbraw/zinc/44/06/26/747440626.db2.gz JCOVIXXRBIJJST-UHFFFAOYSA-N -2 0 319.250 1.019 20 0 DDADRL O=P([O-])([O-])OCCNc1ncnc2cnc(Cl)cc21 ZINC001168588036 751189833 /nfs/dbraw/zinc/18/98/33/751189833.db2.gz YCGZRYKSBUASMN-UHFFFAOYSA-N -2 0 304.630 1.199 20 0 DDADRL Cc1cccc(-c2ccc(NCCOP(=O)([O-])[O-])nn2)c1 ZINC001157796005 766686196 /nfs/dbraw/zinc/68/61/96/766686196.db2.gz QKZVMGQJTLIEGE-UHFFFAOYSA-N -2 0 309.262 1.973 20 0 DDADRL CC[C@@H](OC(=O)[C@H](O)COP(=O)([O-])[O-])c1ccccc1 ZINC001223704128 840006033 /nfs/dbraw/zinc/00/60/33/840006033.db2.gz CUOPRXHHZKLNDG-GHMZBOCLSA-N -2 0 304.235 1.151 20 0 DDADRL O=C(NCCCC[P@](=O)([O-])O)c1cc2ccccc2[nH]c1=O ZINC001151239005 862699927 /nfs/dbraw/zinc/69/99/27/862699927.db2.gz VXMGLRJWTZRZBW-UHFFFAOYSA-N -2 0 324.273 1.628 20 0 DDADRL Cc1cc(C(F)(F)NCCOP(=O)([O-])[O-])nc(Cl)n1 ZINC001157787251 864137771 /nfs/dbraw/zinc/13/77/71/864137771.db2.gz GEWWXABBTSZXTD-UHFFFAOYSA-N -2 0 317.616 1.187 20 0 DDADRL CCc1cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)n[nH]1 ZINC001162743490 867793620 /nfs/dbraw/zinc/79/36/20/867793620.db2.gz KAUKSOGEJYBWLM-UHFFFAOYSA-N -2 0 314.305 1.282 20 0 DDADRL O=C([O-])C[C@H](C(=O)OCc1coc2ccccc12)[C@@H](O)C(=O)[O-] ZINC001224142574 881241583 /nfs/dbraw/zinc/24/15/83/881241583.db2.gz GYCDLRAOGIDQFE-GXFFZTMASA-N -2 0 322.269 1.012 20 0 DDADRL Cc1cc(C)c(Cl)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1 ZINC001229523488 884027619 /nfs/dbraw/zinc/02/76/19/884027619.db2.gz OCPZRPNBGZMVRW-MRVPVSSYSA-N -2 0 324.653 1.332 20 0 DDADRL O=C([O-])c1ccc(-c2ccc3c(c2)S(=O)(=O)[N-]C3=O)s1 ZINC001240847345 891071054 /nfs/dbraw/zinc/07/10/54/891071054.db2.gz TVHNVTJRMPZUDL-UHFFFAOYSA-N -2 0 309.324 1.545 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3c(n2)CCNC3=O)c1 ZINC001242159750 891354639 /nfs/dbraw/zinc/35/46/39/891354639.db2.gz QJMBUWMQZHSGPQ-UHFFFAOYSA-N -2 0 312.281 1.431 20 0 DDADRL Cc1nc(C(N)=O)ccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242162550 891356333 /nfs/dbraw/zinc/35/63/33/891356333.db2.gz GFLIIIXDYURKEM-UHFFFAOYSA-N -2 0 300.270 1.552 20 0 DDADRL NC(=S)Nc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1 ZINC001242160610 891357093 /nfs/dbraw/zinc/35/70/93/891357093.db2.gz OYQNFBPSPSOXKI-UHFFFAOYSA-N -2 0 317.326 1.801 20 0 DDADRL O=c1cc(CC(F)(F)F)[n-]n1-c1cccc(S(=O)(=O)[O-])c1 ZINC001245952349 892284670 /nfs/dbraw/zinc/28/46/70/892284670.db2.gz OBLYGUGAHUFXHH-UHFFFAOYSA-N -2 0 322.264 1.929 20 0 DDADRL CCc1cnc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cn1 ZINC001260392759 899133779 /nfs/dbraw/zinc/13/37/79/899133779.db2.gz QKXQDCKVSOCBDH-UHFFFAOYSA-N -2 0 323.330 1.244 20 0 DDADRL CC(C)Oc1ccc(=NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)[n-]n1 ZINC000563583167 303960923 /nfs/dbraw/zinc/96/09/23/303960923.db2.gz WITLONSGEXGJAG-NSHDSACASA-N -2 0 322.365 1.404 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)nn1C ZINC000305341625 231001202 /nfs/dbraw/zinc/00/12/02/231001202.db2.gz CPGWFHWEWXATDU-UHFFFAOYSA-N -2 0 301.349 1.289 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cn2)cs1 ZINC000088248272 185243481 /nfs/dbraw/zinc/24/34/81/185243481.db2.gz GEUNNLNYJQKYRN-UHFFFAOYSA-N -2 0 302.308 1.781 20 0 DDADRL CN=c1[n-]nc(CC(=O)Nc2cc(Cl)c([O-])cc2F)s1 ZINC000345599236 282979330 /nfs/dbraw/zinc/97/93/30/282979330.db2.gz BYXCJTMKSFPCJE-UHFFFAOYSA-N -2 0 316.745 1.681 20 0 DDADRL Cc1ccc(-n2[n-]c(C(=O)N(C)[C@H](C)C(=O)[O-])cc2=O)cc1 ZINC000262888967 186319388 /nfs/dbraw/zinc/31/93/88/186319388.db2.gz NMMVVQGKWGNQMI-SNVBAGLBSA-N -2 0 303.318 1.019 20 0 DDADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1ccco1)OCO2 ZINC000358846568 291053257 /nfs/dbraw/zinc/05/32/57/291053257.db2.gz KTQVKAREHZRKOM-UHFFFAOYSA-N -2 0 311.271 1.507 20 0 DDADRL CC(C)C[C@H](CNC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)C(=O)[O-] ZINC000626769771 367736262 /nfs/dbraw/zinc/73/62/62/367736262.db2.gz RHQXHLNBRYLEOU-UTUOFQBUSA-N -2 0 314.382 1.486 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)n(C)n1 ZINC000336867018 249274449 /nfs/dbraw/zinc/27/44/49/249274449.db2.gz PZMSQQXLLSWERQ-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000339074032 250281558 /nfs/dbraw/zinc/28/15/58/250281558.db2.gz GOBGUWJOIFVUPO-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000362286180 300044036 /nfs/dbraw/zinc/04/40/36/300044036.db2.gz PRZXGSQAHQWWBK-UHFFFAOYSA-N -2 0 307.331 1.328 20 0 DDADRL CC[C@H](C)N(CC(=O)[O-])C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000236946748 407787090 /nfs/dbraw/zinc/78/70/90/407787090.db2.gz LZWWOBVMQJOYCZ-NSHDSACASA-N -2 0 317.345 1.903 20 0 DDADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnn(C)c2)cc1 ZINC000181768588 408038872 /nfs/dbraw/zinc/03/88/72/408038872.db2.gz UUSVFVJFAVPWRW-JTQLQIEISA-N -2 0 323.374 1.799 20 0 DDADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000274933933 408566737 /nfs/dbraw/zinc/56/67/37/408566737.db2.gz POKTVUDWQSOXGS-SNVBAGLBSA-N -2 0 315.347 1.314 20 0 DDADRL CCc1ccc([N-]S(=O)(=O)c2ccnn2C)c(C(=O)[O-])c1 ZINC000314268338 164013910 /nfs/dbraw/zinc/01/39/10/164013910.db2.gz MDIXLKJVBZMVPR-UHFFFAOYSA-N -2 0 309.347 1.482 20 0 DDADRL CCCc1cc(C(=O)N=c2ncn(CC(=O)[O-])[n-]2)sc1C ZINC000647780839 423045362 /nfs/dbraw/zinc/04/53/62/423045362.db2.gz PTDFYWQSEIDKLA-UHFFFAOYSA-N -2 0 308.363 1.359 20 0 DDADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCCCCC(=O)[O-])C1 ZINC000422591720 419960799 /nfs/dbraw/zinc/96/07/99/419960799.db2.gz RKUKUPZJDGIIHY-QWRGUYRKSA-N -2 0 300.355 1.384 20 0 DDADRL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1ccc(F)cc1[O-] ZINC000436594012 420342149 /nfs/dbraw/zinc/34/21/49/420342149.db2.gz HGJSHVPLNNXMNM-UHFFFAOYSA-N -2 0 315.264 1.465 20 0 DDADRL CCn1nccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000436873817 420380341 /nfs/dbraw/zinc/38/03/41/420380341.db2.gz XXPFFEVXTXESTI-UHFFFAOYSA-N -2 0 311.319 1.108 20 0 DDADRL O=C([O-])Cn1cc(/C=C\c2nc3ccc(C(=O)[O-])cc3o2)nn1 ZINC000439276688 420504285 /nfs/dbraw/zinc/50/42/85/420504285.db2.gz NDHKFUMWWBCDJC-RQOWECAXSA-N -2 0 314.257 1.373 20 0 DDADRL CC1(C)C[C@H](S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)CO1 ZINC000629296960 422591606 /nfs/dbraw/zinc/59/16/06/422591606.db2.gz QIAQLGNBPPECJG-VIFPVBQESA-N -2 0 315.347 1.400 20 0 DDADRL CO[C@H](C)c1nc(=NCc2ccc(CC(=O)[O-])cc2)s[n-]1 ZINC000629382896 422642756 /nfs/dbraw/zinc/64/27/56/422642756.db2.gz QHFUOAYUYZCZHP-SECBINFHSA-N -2 0 307.375 1.907 20 0 DDADRL CC(C)C[C@H](CNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC000646163246 423374199 /nfs/dbraw/zinc/37/41/99/423374199.db2.gz ZHDLLXTVDHVWAY-HBNTYKKESA-N -2 0 300.355 1.286 20 0 DDADRL CC(C)[C@H](CNC(=O)N=c1[n-]nc(-c2ccco2)s1)C(=O)[O-] ZINC000653535827 423515990 /nfs/dbraw/zinc/51/59/90/423515990.db2.gz FHHMQWNRNLOELO-QMMMGPOBSA-N -2 0 324.362 1.698 20 0 DDADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000659764719 424232191 /nfs/dbraw/zinc/23/21/91/424232191.db2.gz MYEVSSCAZAFVER-CMPLNLGQSA-N -2 0 321.329 1.333 20 0 DDADRL C[C@H](C(=O)[O-])N(C(=O)c1cc(F)c(F)c([O-])c1F)C1CC1 ZINC000263331165 298203517 /nfs/dbraw/zinc/20/35/17/298203517.db2.gz MBWGBFZKMIEDCF-RXMQYKEDSA-N -2 0 303.236 1.887 20 0 DDADRL Cc1nc(=NC(=O)c2cccc(Br)c2[O-])s[n-]1 ZINC000524745236 302906309 /nfs/dbraw/zinc/90/63/09/302906309.db2.gz VUVGMYAOKJEMRE-UHFFFAOYSA-N -2 0 314.164 1.989 20 0 DDADRL CC(C)n1cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cn1 ZINC000357855777 306921179 /nfs/dbraw/zinc/92/11/79/306921179.db2.gz BANZRDVODOZXEH-UHFFFAOYSA-N -2 0 323.374 1.892 20 0 DDADRL O=C([O-])[C@H]1C[C@@H](NC(=O)C2(C(=O)[O-])CCC2)c2ccccc21 ZINC000663117782 484682141 /nfs/dbraw/zinc/68/21/41/484682141.db2.gz BADFIPOQQNFOJW-NWDGAFQWSA-N -2 0 303.314 1.671 20 0 DDADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccco2)c(C(=O)[O-])c1 ZINC000682895990 485817170 /nfs/dbraw/zinc/81/71/70/485817170.db2.gz FSCMFVXQBWESEO-UHFFFAOYSA-N -2 0 324.314 1.737 20 0 DDADRL CC(C)C[C@@H](CNC(=O)NCc1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC000424401184 528323873 /nfs/dbraw/zinc/32/38/73/528323873.db2.gz YNHJNUSYAGBIJU-ZDUSSCGKSA-N -2 0 322.361 1.931 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cc2)c(C)o1 ZINC000821046003 598195425 /nfs/dbraw/zinc/19/54/25/598195425.db2.gz OBHIHFPMESVYIL-UHFFFAOYSA-N -2 0 323.326 1.713 20 0 DDADRL CCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736860115 599954283 /nfs/dbraw/zinc/95/42/83/599954283.db2.gz RWFIVFALZJFNRQ-UHFFFAOYSA-N -2 0 313.375 1.767 20 0 DDADRL CC1=C(C(=O)[O-])[C@H](c2ccc(OCC(=O)[O-])cc2)NC(=O)N1C ZINC000736751061 599983927 /nfs/dbraw/zinc/98/39/27/599983927.db2.gz OIRKDBLFQTXKPJ-ZDUSSCGKSA-N -2 0 320.301 1.205 20 0 DDADRL Cc1oc(C)c(S(=O)(=O)[N-]c2nccs2)c1C(=O)[O-] ZINC000037300344 600050826 /nfs/dbraw/zinc/05/08/26/600050826.db2.gz UYOXXJSIVQAAQI-UHFFFAOYSA-N -2 0 302.333 1.852 20 0 DDADRL Cn1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000044593607 600054820 /nfs/dbraw/zinc/05/48/20/600054820.db2.gz FCTBLYYPNBHNBV-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL O=C([O-])CN(C(=O)c1n[n-]c2ccccc2c1=O)c1ccccc1 ZINC000156382156 600197399 /nfs/dbraw/zinc/19/73/99/600197399.db2.gz LQIMUOAQYROAMS-UHFFFAOYSA-N -2 0 323.308 1.655 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c(C(=O)[O-])[nH]1 ZINC000738464026 600255759 /nfs/dbraw/zinc/25/57/59/600255759.db2.gz XAMMDPRYTCGATL-UHFFFAOYSA-N -2 0 322.342 1.852 20 0 DDADRL CC(C)[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)C(=O)[O-] ZINC000736384811 600441690 /nfs/dbraw/zinc/44/16/90/600441690.db2.gz IVKORKOCCBEMQZ-JTQLQIEISA-N -2 0 321.358 1.463 20 0 DDADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000316312599 600513664 /nfs/dbraw/zinc/51/36/64/600513664.db2.gz XIRVUAGEVYDASP-UHFFFAOYSA-N -2 0 323.286 1.489 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nnc3ccccn32)cc1 ZINC000738688596 600520759 /nfs/dbraw/zinc/52/07/59/600520759.db2.gz GTQLUBAJQQMRFU-UHFFFAOYSA-N -2 0 318.314 1.228 20 0 DDADRL CCc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000035651671 600672945 /nfs/dbraw/zinc/67/29/45/600672945.db2.gz SNNPZQFDOMKXAV-UHFFFAOYSA-N -2 0 309.347 1.331 20 0 DDADRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000825964037 600808522 /nfs/dbraw/zinc/80/85/22/600808522.db2.gz MNCRBXRQMMHGAG-UHFFFAOYSA-N -2 0 322.342 1.727 20 0 DDADRL Cc1ccsc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC000738798457 600891156 /nfs/dbraw/zinc/89/11/56/600891156.db2.gz KUURCPVJCPSRNE-UHFFFAOYSA-N -2 0 301.349 1.138 20 0 DDADRL CCC[C@H](NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1nnn[n-]1 ZINC000829230103 601305040 /nfs/dbraw/zinc/30/50/40/601305040.db2.gz FPBIEUFYANZWJT-QMMMGPOBSA-N -2 0 306.326 1.114 20 0 DDADRL CCn1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cn1 ZINC000386924566 601322661 /nfs/dbraw/zinc/32/26/61/601322661.db2.gz LXSBQQLJTNGVNL-YVMONPNESA-N -2 0 321.358 1.802 20 0 DDADRL Cc1ncc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC000384216461 601330058 /nfs/dbraw/zinc/33/00/58/601330058.db2.gz QSDJVDAUYOJYRS-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL Cc1nc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])oc1C ZINC000833002661 601587842 /nfs/dbraw/zinc/58/78/42/601587842.db2.gz DKFQOXJSLLLKAT-UHFFFAOYSA-N -2 0 314.294 1.930 20 0 DDADRL CC(C)n1cc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])cn1 ZINC000827186541 601602443 /nfs/dbraw/zinc/60/24/43/601602443.db2.gz PKALLJDBIBYTTP-UHFFFAOYSA-N -2 0 316.364 1.420 20 0 DDADRL CC[C@@](C)(NC(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)[O-] ZINC000828693367 602299080 /nfs/dbraw/zinc/29/90/80/602299080.db2.gz VJXKXCWHFRPELQ-OAHLLOKOSA-N -2 0 321.308 1.700 20 0 DDADRL CC[C@@](C)(NC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000828692790 602299097 /nfs/dbraw/zinc/29/90/97/602299097.db2.gz MHWAHHBNDOJVHI-OAHLLOKOSA-N -2 0 303.318 1.561 20 0 DDADRL O=C([O-])[C@@H](CC(=O)NC[C@H]1CCCN1C(=O)[O-])c1ccccc1 ZINC000740352438 602593874 /nfs/dbraw/zinc/59/38/74/602593874.db2.gz YXVJJZVEELQGHI-OLZOCXBDSA-N -2 0 320.345 1.504 20 0 DDADRL CN(Cc1ccccc1[N-]S(=O)(=O)c1ccnn1C)C(=O)[O-] ZINC000739715929 602654144 /nfs/dbraw/zinc/65/41/44/602654144.db2.gz SPUGYDAAZUKLPA-UHFFFAOYSA-N -2 0 324.362 1.331 20 0 DDADRL CCC[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000739321158 602669738 /nfs/dbraw/zinc/66/97/38/602669738.db2.gz UWIXVBDKWCMPRX-LLVKDONJSA-N -2 0 314.363 1.069 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=NCCCN(C(=O)[O-])C2CC2)cc1 ZINC000740106575 602670181 /nfs/dbraw/zinc/67/01/81/602670181.db2.gz RWGPYGGOZDOZJI-UHFFFAOYSA-N -2 0 316.365 1.337 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)NC(=O)[O-] ZINC000736964383 602728654 /nfs/dbraw/zinc/72/86/54/602728654.db2.gz DLBGFYWZEMEBCR-GHMZBOCLSA-N -2 0 322.427 1.551 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739302627 602927453 /nfs/dbraw/zinc/92/74/53/602927453.db2.gz SFACWEUEMZMLAA-JTQLQIEISA-N -2 0 322.427 1.695 20 0 DDADRL O=C([O-])NC1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000740586523 603119449 /nfs/dbraw/zinc/11/94/49/603119449.db2.gz MNRXVRWOOZSGCN-UHFFFAOYSA-N -2 0 321.358 1.989 20 0 DDADRL O=C([O-])N1CCc2c(cccc2[N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000740529072 603295334 /nfs/dbraw/zinc/29/53/34/603295334.db2.gz HFBCVNDFHKRJCA-UHFFFAOYSA-N -2 0 322.346 1.247 20 0 DDADRL CCS(=O)(=O)[N-]C(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000827476436 603443614 /nfs/dbraw/zinc/44/36/14/603443614.db2.gz YUJCOODEAJIXOS-ONGXEEELSA-N -2 0 314.363 1.097 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CN(C)C(=O)[O-])s1 ZINC000830413984 604252089 /nfs/dbraw/zinc/25/20/89/604252089.db2.gz DXAKWYOVUKDFED-ZETCQYMHSA-N -2 0 320.392 1.107 20 0 DDADRL CC(C)(CNC(=O)c1nn(-c2ccccc2)cc1[O-])NC(=O)[O-] ZINC000824005818 604296663 /nfs/dbraw/zinc/29/66/63/604296663.db2.gz JSQNCKATIWPVKC-UHFFFAOYSA-N -2 0 318.333 1.354 20 0 DDADRL O=C([O-])N[C@@H]1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000832381116 604469447 /nfs/dbraw/zinc/46/94/47/604469447.db2.gz AWMXLKRTBRXBEJ-MRVPVSSYSA-N -2 0 307.331 1.599 20 0 DDADRL C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)[N-]OCC(F)(F)F ZINC000826116386 605138177 /nfs/dbraw/zinc/13/81/77/605138177.db2.gz SDXRWOCVRRLNFG-RITPCOANSA-N -2 0 300.233 1.100 20 0 DDADRL O=C([O-])N[C@H](CC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000834123576 606031816 /nfs/dbraw/zinc/03/18/16/606031816.db2.gz YUBSMVLEJNVFSI-CHWSQXEVSA-N -2 0 320.345 1.709 20 0 DDADRL O=C([O-])c1cc(NC(=O)[C@@H]2CSCN2C(=O)[O-])ccc1F ZINC000834282446 606056597 /nfs/dbraw/zinc/05/65/97/606056597.db2.gz AIJZYVSINIRYSA-VIFPVBQESA-N -2 0 314.294 1.515 20 0 DDADRL O=C([O-])[C@@H](CNC(=O)C1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000834020340 606065070 /nfs/dbraw/zinc/06/50/70/606065070.db2.gz SMOKXCMMGIFAPX-ZDUSSCGKSA-N -2 0 320.345 1.361 20 0 DDADRL O=C([O-])NC1(CC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)CCC1 ZINC000834155940 606065716 /nfs/dbraw/zinc/06/57/16/606065716.db2.gz SRQSUVGMZRWMTF-GFCCVEGCSA-N -2 0 320.345 1.551 20 0 DDADRL O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000834018767 606069321 /nfs/dbraw/zinc/06/93/21/606069321.db2.gz CLBKZMAOBPQSAX-SDDRHHMPSA-N -2 0 312.366 1.526 20 0 DDADRL O=C([O-])CC1(CNC(=O)CCCNC(=O)[O-])CCCCC1 ZINC000834060028 606113524 /nfs/dbraw/zinc/11/35/24/606113524.db2.gz FNKAGLVGHVDACG-UHFFFAOYSA-N -2 0 300.355 1.576 20 0 DDADRL CCCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cn1 ZINC000072760804 696396580 /nfs/dbraw/zinc/39/65/80/696396580.db2.gz SPASRWJGSSPSST-UHFFFAOYSA-N -2 0 313.335 1.694 20 0 DDADRL COCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000132046963 696810464 /nfs/dbraw/zinc/81/04/64/696810464.db2.gz REZADZBABBFRKV-SSDOTTSWSA-N -2 0 323.317 1.366 20 0 DDADRL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)C(F)(F)F ZINC000389220625 699088157 /nfs/dbraw/zinc/08/81/57/699088157.db2.gz NCCVVCQQNHYFLS-YFKPBYRVSA-N -2 0 315.244 1.753 20 0 DDADRL CO[C@@H](C)c1nc(=NC(=O)c2cc3c(cc2[O-])OCO3)s[n-]1 ZINC000436730422 699167415 /nfs/dbraw/zinc/16/74/15/699167415.db2.gz LHLCXAJAXWRSOH-LURJTMIESA-N -2 0 323.330 1.354 20 0 DDADRL Cn1nc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1C(=O)[O-] ZINC000788130129 699282014 /nfs/dbraw/zinc/28/20/14/699282014.db2.gz CPTAYJVTWFLBLR-UHFFFAOYSA-N -2 0 321.314 1.665 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000843297145 702855541 /nfs/dbraw/zinc/85/55/41/702855541.db2.gz RKDNEWDMXBQOEB-GJMOJQLCSA-N -2 0 303.302 1.500 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000851703090 703832944 /nfs/dbraw/zinc/83/29/44/703832944.db2.gz NIKGCHSTKQSWNM-QMMMGPOBSA-N -2 0 324.299 1.061 20 0 DDADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000863953840 706045457 /nfs/dbraw/zinc/04/54/57/706045457.db2.gz ARIZQJWEINDUJI-UHFFFAOYSA-N -2 0 305.396 1.658 20 0 DDADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCC1 ZINC000863955441 706045739 /nfs/dbraw/zinc/04/57/39/706045739.db2.gz LWKIDKZBKYVMSJ-SNVBAGLBSA-N -2 0 311.359 1.449 20 0 DDADRL Cc1ccc(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)cc1 ZINC000863960898 706047135 /nfs/dbraw/zinc/04/71/35/706047135.db2.gz CIEXKSDRKJBMEG-UHFFFAOYSA-N -2 0 311.359 1.196 20 0 DDADRL CSc1ccccc1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910191796 709805900 /nfs/dbraw/zinc/80/59/00/709805900.db2.gz MEOGVTZSUDUTSR-MWLCHTKSSA-N -2 0 323.370 1.799 20 0 DDADRL CC(C)C[C@@H](CN=c1nn[n-]n1Cc1ccccc1)C(=O)[O-] ZINC000910430855 709937126 /nfs/dbraw/zinc/93/71/26/709937126.db2.gz PVYFDUFGCSZDPU-ZDUSSCGKSA-N -2 0 303.366 1.302 20 0 DDADRL O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)C[C@@H]21 ZINC000910848084 710094341 /nfs/dbraw/zinc/09/43/41/710094341.db2.gz PUQDQWSYRWEKDB-VHSKPIJISA-N -2 0 313.712 1.977 20 0 DDADRL CS[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC000907005225 712461963 /nfs/dbraw/zinc/46/19/63/712461963.db2.gz MMLZMVYNEFSVSR-SECBINFHSA-N -2 0 317.388 1.216 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2ncccc2O)cc1C(=O)[O-] ZINC001185272083 744195363 /nfs/dbraw/zinc/19/53/63/744195363.db2.gz WLGMXJRBLOGSFJ-UHFFFAOYSA-N -2 0 324.314 1.295 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncc(O)c2)ccc1F ZINC001186143682 744349841 /nfs/dbraw/zinc/34/98/41/744349841.db2.gz QETJOJACYBRHJV-UHFFFAOYSA-N -2 0 312.278 1.425 20 0 DDADRL C[C@@H]1CN(C(=O)c2ccccc2OP(=O)([O-])[O-])[C@@H](C)CO1 ZINC001189888338 745042599 /nfs/dbraw/zinc/04/25/99/745042599.db2.gz XOAGZNLQYRGKFU-VHSXEESVSA-N -2 0 315.262 1.408 20 0 DDADRL C[C@H](NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1)C1CC1 ZINC001189933475 745055520 /nfs/dbraw/zinc/05/55/20/745055520.db2.gz MGGQINQWAWAVMB-ZETCQYMHSA-N -2 0 313.331 1.160 20 0 DDADRL O=C([O-])CCc1ccc(S(=O)(=O)Nc2cnc[nH]c2=O)cc1 ZINC001192113396 745693248 /nfs/dbraw/zinc/69/32/48/745693248.db2.gz LFBRLBKCAJGUBQ-UHFFFAOYSA-N -2 0 323.330 1.000 20 0 DDADRL Cc1cc(C)c(NC(=O)c2cc(=O)[nH][n-]2)c(S(=O)(=O)[O-])c1 ZINC001193470285 746113532 /nfs/dbraw/zinc/11/35/32/746113532.db2.gz WLGCCBKIKPGNSE-UHFFFAOYSA-N -2 0 311.319 1.231 20 0 DDADRL O=C(Nc1ccc(F)c(Br)c1[O-])c1cc(=O)[nH][n-]1 ZINC001193473347 746114277 /nfs/dbraw/zinc/11/42/77/746114277.db2.gz MWUMCWRCEIORFY-UHFFFAOYSA-N -2 0 316.086 1.975 20 0 DDADRL COc1ccccc1NC(=S)NCCOP(=O)([O-])[O-] ZINC001196270512 746814540 /nfs/dbraw/zinc/81/45/40/746814540.db2.gz UBYPIKSCGFAMAC-UHFFFAOYSA-N -2 0 306.280 1.091 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])nc(C)n1 ZINC001198730553 747582563 /nfs/dbraw/zinc/58/25/63/747582563.db2.gz OKRQWFLTFMEFTB-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL CN(C)c1nccnc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198738602 747585170 /nfs/dbraw/zinc/58/51/70/747585170.db2.gz ASWFLGYFRGWCTF-UHFFFAOYSA-N -2 0 322.346 1.042 20 0 DDADRL CC(C)(C)c1nc2ncnc(NCCOP(=O)([O-])[O-])c2[nH]1 ZINC001168589293 751199367 /nfs/dbraw/zinc/19/93/67/751199367.db2.gz FORBMGRARHWQJQ-UHFFFAOYSA-N -2 0 315.270 1.172 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(Cl)nc(C2CCCC2)n1 ZINC001168589696 751202518 /nfs/dbraw/zinc/20/25/18/751202518.db2.gz MJKZSPCMDPPPNC-UHFFFAOYSA-N -2 0 322.689 1.704 20 0 DDADRL CC(C)(C)C(=O)Nc1ccc(NCCOP(=O)([O-])[O-])cn1 ZINC001168591113 751214995 /nfs/dbraw/zinc/21/49/95/751214995.db2.gz IDDOUNXMWLBFJN-UHFFFAOYSA-N -2 0 317.282 1.587 20 0 DDADRL O=P([O-])([O-])OCCNc1ccccc1N1CCOCC1 ZINC001168592239 751227267 /nfs/dbraw/zinc/22/72/67/751227267.db2.gz OVNIHPHREYRRCC-UHFFFAOYSA-N -2 0 302.267 1.044 20 0 DDADRL CCc1nccnc1NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148917121 773634441 /nfs/dbraw/zinc/63/44/41/773634441.db2.gz LIZZHFUPYBRRQN-UHFFFAOYSA-N -2 0 323.330 1.244 20 0 DDADRL Cc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1Cl ZINC001225863860 842322937 /nfs/dbraw/zinc/32/29/37/842322937.db2.gz VFKRBHJEGVAZIR-SECBINFHSA-N -2 0 310.626 1.024 20 0 DDADRL CCCc1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227171742 882889691 /nfs/dbraw/zinc/88/96/91/882889691.db2.gz GLGLENZEXVUNMH-MFKMUULPSA-N -2 0 310.302 1.081 20 0 DDADRL CCCCc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001227620597 883109704 /nfs/dbraw/zinc/10/97/04/883109704.db2.gz MOQMHDZCYKNITG-OCCSQVGLSA-N -2 0 324.329 1.471 20 0 DDADRL O=C([O-])C[C@@H](C(=O)Oc1ccc2sccc2c1)[C@H](O)C(=O)[O-] ZINC001229121397 883831428 /nfs/dbraw/zinc/83/14/28/883831428.db2.gz CBABFEINLJSBNX-SKDRFNHKSA-N -2 0 324.310 1.343 20 0 DDADRL CN(Cc1nc(=O)o[n-]1)C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001362608725 884212315 /nfs/dbraw/zinc/21/23/15/884212315.db2.gz VOCZRSXGANBCPZ-UHFFFAOYSA-N -2 0 318.116 1.648 20 0 DDADRL CC1=C(Oc2ccc(OP(=O)([O-])[O-])cc2)C(=O)O[C@@H]1C ZINC001234331136 887867744 /nfs/dbraw/zinc/86/77/44/887867744.db2.gz CHMRWGKVKYILKS-MRVPVSSYSA-N -2 0 300.203 1.756 20 0 DDADRL CN(C)C(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001242163994 891358159 /nfs/dbraw/zinc/35/81/59/891358159.db2.gz WEOQYZADTPEKBF-UHFFFAOYSA-N -2 0 314.297 1.847 20 0 DDADRL COc1ccc(C)cc1NC(=S)NCCOP(=O)([O-])[O-] ZINC001249676044 894098677 /nfs/dbraw/zinc/09/86/77/894098677.db2.gz UICDOKPYGRKTHJ-UHFFFAOYSA-N -2 0 320.307 1.399 20 0 DDADRL COC(=O)CS(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1[O-] ZINC001259025950 898424397 /nfs/dbraw/zinc/42/43/97/898424397.db2.gz FCTMMCSKENENNE-UHFFFAOYSA-N -2 0 314.146 1.614 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccnn2CC2CC2)c1 ZINC001260184277 899077591 /nfs/dbraw/zinc/07/75/91/899077591.db2.gz XPDGGEWSSQAGMS-UHFFFAOYSA-N -2 0 321.358 1.792 20 0 DDADRL Cc1noc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1C ZINC000088245250 185243568 /nfs/dbraw/zinc/24/35/68/185243568.db2.gz WTMMEJTZKDNLSE-UHFFFAOYSA-N -2 0 302.333 1.852 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]C1(C(=O)[O-])CCC(C)CC1 ZINC000554538530 303700844 /nfs/dbraw/zinc/70/08/44/303700844.db2.gz NPUPZLYRARJTKL-CCNFQMFXSA-N -2 0 317.329 1.890 20 0 DDADRL CC(C)N(CC(=O)[O-])C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000194944528 201315298 /nfs/dbraw/zinc/31/52/98/201315298.db2.gz VSJBXZHMRWMWDM-UHFFFAOYSA-N -2 0 303.318 1.513 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1C(=O)[O-] ZINC000019988992 182174468 /nfs/dbraw/zinc/17/44/68/182174468.db2.gz PFDIREWRUJQYNW-UHFFFAOYSA-N -2 0 316.285 1.802 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)o1 ZINC000020593464 182235906 /nfs/dbraw/zinc/23/59/06/182235906.db2.gz NMSKVGVXLOFVPL-UHFFFAOYSA-N -2 0 302.695 1.827 20 0 DDADRL Cc1ccccc1-c1nc(=N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)s[n-]1 ZINC000629766906 422805873 /nfs/dbraw/zinc/80/58/73/422805873.db2.gz BWKMNKUOZWUHRR-WCQGTBRESA-N -2 0 319.386 1.571 20 0 DDADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(C)n1 ZINC000037560153 406990845 /nfs/dbraw/zinc/99/08/45/406990845.db2.gz OCFLJWMEHBUVJA-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL COc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)ccc1F ZINC000159876736 408441739 /nfs/dbraw/zinc/44/17/39/408441739.db2.gz AYMLEQPTKWXZJL-UHFFFAOYSA-N -2 0 314.294 1.661 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])cn1 ZINC000282014760 408972569 /nfs/dbraw/zinc/97/25/69/408972569.db2.gz XDGACKZFEQJXIJ-UHFFFAOYSA-N -2 0 323.374 1.628 20 0 DDADRL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000287584961 409060065 /nfs/dbraw/zinc/06/00/65/409060065.db2.gz PYZCNYJUUXQZQY-SNVBAGLBSA-N -2 0 305.302 1.496 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cn1 ZINC000342961365 410030355 /nfs/dbraw/zinc/03/03/55/410030355.db2.gz RLYBJXKPYOFTEY-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL Cc1nc(C=Cc2ccc(C(=O)[O-])cc2)[nH]c(=O)c1CC(=O)[O-] ZINC000347383734 410511808 /nfs/dbraw/zinc/51/18/08/410511808.db2.gz PFJKUNRLZUVRBS-QPJJXVBHSA-N -2 0 314.297 1.986 20 0 DDADRL O=C(N=c1[n-]ncn1C1CC1)c1nn(-c2ccccc2)cc1[O-] ZINC000356180870 410881718 /nfs/dbraw/zinc/88/17/18/410881718.db2.gz LWVAWNZZOQNJBT-UHFFFAOYSA-N -2 0 310.317 1.179 20 0 DDADRL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1F ZINC000131840434 196203486 /nfs/dbraw/zinc/20/34/86/196203486.db2.gz NFFULLVALBANEX-QMMMGPOBSA-N -2 0 307.318 1.887 20 0 DDADRL CC(C)Sc1ccc(C(=O)N=c2ncn(CC(=O)[O-])[n-]2)cc1 ZINC000647780650 423045255 /nfs/dbraw/zinc/04/52/55/423045255.db2.gz HUPGYYQJDJGGTR-UHFFFAOYSA-N -2 0 320.374 1.537 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)cn1C ZINC000547550890 421343801 /nfs/dbraw/zinc/34/38/01/421343801.db2.gz DNGKOKPHLLVYPU-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)[C@H](C)C(F)(F)F ZINC000548220239 421411971 /nfs/dbraw/zinc/41/19/71/421411971.db2.gz ZGZIIAHTUXVAPG-HTQZYQBOSA-N -2 0 305.318 1.890 20 0 DDADRL C[C@H]1CC(NS(=O)(=O)c2scnc2C(=O)[O-])C[C@H](C)O1 ZINC000563071048 421450933 /nfs/dbraw/zinc/45/09/33/421450933.db2.gz SADRMLVJTRQVOM-BQBZGAKWSA-N -2 0 320.392 1.076 20 0 DDADRL O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1cc([O-])cc(F)c1 ZINC000630443049 422106195 /nfs/dbraw/zinc/10/61/95/422106195.db2.gz NYETVUIPUXTJJG-NSHDSACASA-N -2 0 303.311 1.159 20 0 DDADRL O=C([O-])[C@]1(CN=c2[n-]nc(-c3ccccc3)s2)CCCOC1 ZINC000630462610 422118893 /nfs/dbraw/zinc/11/88/93/422118893.db2.gz CJFTYYZNQGEFFW-HNNXBMFYSA-N -2 0 319.386 1.920 20 0 DDADRL CO[C@@H](C)c1nc(=NC(=O)NC2(CC(=O)[O-])CCC2)s[n-]1 ZINC000649544305 424014661 /nfs/dbraw/zinc/01/46/61/424014661.db2.gz QAXNQVAMDXMJOR-ZETCQYMHSA-N -2 0 314.367 1.186 20 0 DDADRL C[C@H](CNC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)C(=O)[O-] ZINC000655883028 424690674 /nfs/dbraw/zinc/69/06/74/424690674.db2.gz SPTDYBNSICMDQX-MEBBXXQBSA-N -2 0 308.334 1.049 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000531195912 303234559 /nfs/dbraw/zinc/23/45/59/303234559.db2.gz LGYCRVAJKPHDPR-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL COc1cc(C(=O)[O-])ccc1CCN=c1[n-]nc(C2CC2)o1 ZINC000572964728 308229685 /nfs/dbraw/zinc/22/96/85/308229685.db2.gz WVDASNODQSYGMT-UHFFFAOYSA-N -2 0 303.318 1.730 20 0 DDADRL CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000573684163 308249676 /nfs/dbraw/zinc/24/96/76/308249676.db2.gz SALZCZWHMRQIHV-BDAKNGLRSA-N -2 0 318.358 1.317 20 0 DDADRL Cc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cnc3n2CCC3)c1 ZINC000582311122 326011278 /nfs/dbraw/zinc/01/12/78/326011278.db2.gz DDGFESLEFLTLJL-UHFFFAOYSA-N -2 0 321.358 1.637 20 0 DDADRL C[C@@H]1CCN(C(=O)C2(C(=O)[O-])CCCCCC2)C[C@@H]1C(=O)[O-] ZINC000663059340 484635075 /nfs/dbraw/zinc/63/50/75/484635075.db2.gz VDWVWXKHVJFQTN-NEPJUHHUSA-N -2 0 311.378 1.981 20 0 DDADRL O=C([O-])CC1(NC(=O)c2ccc(C(=O)[O-])cn2)CCCCC1 ZINC000663119337 484683369 /nfs/dbraw/zinc/68/33/69/484683369.db2.gz IKBCFWDTNDPIEW-UHFFFAOYSA-N -2 0 306.318 1.687 20 0 DDADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000663140279 484698276 /nfs/dbraw/zinc/69/82/76/484698276.db2.gz YAKLAOCRDMDXSW-SECBINFHSA-N -2 0 311.338 1.388 20 0 DDADRL Cc1[nH]nc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)c1[O-] ZINC000671854909 485198927 /nfs/dbraw/zinc/19/89/27/485198927.db2.gz ILVUJTNGLRMVTA-UHFFFAOYSA-N -2 0 300.278 1.167 20 0 DDADRL COc1ccc(C(=O)N=c2[n-]c(C)nn2-c2ccccc2)c([O-])c1 ZINC000674670978 485691105 /nfs/dbraw/zinc/69/11/05/485691105.db2.gz KPQISIWIAKBPHJ-UHFFFAOYSA-N -2 0 324.340 1.964 20 0 DDADRL CCC(CC)(CNC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC000424421865 528672953 /nfs/dbraw/zinc/67/29/53/528672953.db2.gz DTLAPOVEHPWKPP-MNOVXSKESA-N -2 0 314.382 1.630 20 0 DDADRL CC(C)C[C@H](NC(=O)CSc1n[n-]c(=S)s1)C(=O)[O-] ZINC000817865871 597106151 /nfs/dbraw/zinc/10/61/51/597106151.db2.gz WCGZCKUEUSGHMT-LURJTMIESA-N -2 0 321.449 1.534 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000739548233 599729018 /nfs/dbraw/zinc/72/90/18/599729018.db2.gz OWLAZMZRYVGBKT-NKWVEPMBSA-N -2 0 321.713 1.005 20 0 DDADRL O=C([O-])CCCNC(=O)c1cccc(Br)c1[O-] ZINC000738576558 600100959 /nfs/dbraw/zinc/10/09/59/600100959.db2.gz CILVHNYKBSDFCV-UHFFFAOYSA-N -2 0 302.124 1.749 20 0 DDADRL CC(C)c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1 ZINC000315083466 600529113 /nfs/dbraw/zinc/52/91/13/600529113.db2.gz KUFAHVPQWUOFBE-UHFFFAOYSA-N -2 0 323.374 1.892 20 0 DDADRL C[C@@H](CC(=O)[O-])SCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000736553509 600584471 /nfs/dbraw/zinc/58/44/71/600584471.db2.gz XZXLWNLSEMHGBO-QMMMGPOBSA-N -2 0 314.388 1.605 20 0 DDADRL CCCc1ccccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000315792294 600673522 /nfs/dbraw/zinc/67/35/22/600673522.db2.gz YZXCEIXHSSUZQV-UHFFFAOYSA-N -2 0 323.374 1.721 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCCC1CCCC1 ZINC000833227854 600947558 /nfs/dbraw/zinc/94/75/58/600947558.db2.gz CYNMWUFANZQQIH-UHFFFAOYSA-N -2 0 305.396 1.658 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000833325191 601127105 /nfs/dbraw/zinc/12/71/05/601127105.db2.gz UZEFDOAJQWMKLB-NSHDSACASA-N -2 0 313.331 1.013 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2n[nH]c3ccccc32)o1 ZINC000833324193 601201338 /nfs/dbraw/zinc/20/13/38/601201338.db2.gz MCPOCZZFPQBJEF-UHFFFAOYSA-N -2 0 307.287 1.655 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2n[nH]c3ccc(F)cc32)c[nH]1 ZINC000833306458 601202491 /nfs/dbraw/zinc/20/24/91/601202491.db2.gz VERGSGUECRTITK-UHFFFAOYSA-N -2 0 324.293 1.529 20 0 DDADRL Cc1oc(S(=O)(=O)[N-]c2ccc3nccn3c2)cc1C(=O)[O-] ZINC000833029766 601230877 /nfs/dbraw/zinc/23/08/77/601230877.db2.gz MDEVVEFQKQOGTQ-UHFFFAOYSA-N -2 0 321.314 1.735 20 0 DDADRL COC(C)(C)CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000160013861 601238841 /nfs/dbraw/zinc/23/88/41/601238841.db2.gz VSGPVBQZVVCMSC-UHFFFAOYSA-N -2 0 323.317 1.366 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C2CC2)c1 ZINC000833333102 601364304 /nfs/dbraw/zinc/36/43/04/601364304.db2.gz HCGIITUSZNVMNB-NWDGAFQWSA-N -2 0 309.343 1.236 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1c(O)cccc1F ZINC000833345775 601485547 /nfs/dbraw/zinc/48/55/47/601485547.db2.gz XMGFBQCUVCNQMK-UHFFFAOYSA-N -2 0 318.307 1.487 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2cccc(F)c2F)cc1C(=O)[O-] ZINC000833053133 601785267 /nfs/dbraw/zinc/78/52/67/601785267.db2.gz RGDKBUIKNRBMFA-UHFFFAOYSA-N -2 0 316.285 1.802 20 0 DDADRL O=C([O-])[C@H](CC(=O)NC[C@@H]1CCCN1C(=O)[O-])c1ccccc1 ZINC000740352441 602594034 /nfs/dbraw/zinc/59/40/34/602594034.db2.gz YXVJJZVEELQGHI-QWHCGFSZSA-N -2 0 320.345 1.504 20 0 DDADRL CC(C)(CC(=O)[N-]S(=O)(=O)c1ccccc1F)NC(=O)[O-] ZINC000738734417 603160050 /nfs/dbraw/zinc/16/00/50/603160050.db2.gz HIMKFCNPSKXHHT-UHFFFAOYSA-N -2 0 318.326 1.067 20 0 DDADRL CC(C)[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000736374942 604374865 /nfs/dbraw/zinc/37/48/65/604374865.db2.gz MIOLSYLVFGRSGJ-NSHDSACASA-N -2 0 320.411 1.305 20 0 DDADRL CC(C)(CCC(=O)[N-]S(=O)(=O)c1ccsc1)NC(=O)[O-] ZINC000823889950 605091599 /nfs/dbraw/zinc/09/15/99/605091599.db2.gz IGLLHANWWZFWDA-UHFFFAOYSA-N -2 0 320.392 1.379 20 0 DDADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)CNC(=O)[O-])s1 ZINC000833449171 605121767 /nfs/dbraw/zinc/12/17/67/605121767.db2.gz PEMHQWVKFOTQAW-UHFFFAOYSA-N -2 0 320.392 1.118 20 0 DDADRL Cc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)s1 ZINC000833754991 605189175 /nfs/dbraw/zinc/18/91/75/605189175.db2.gz TVFGICTZDAOWFT-UHFFFAOYSA-N -2 0 302.333 1.852 20 0 DDADRL O=C([O-])c1cccc(CCNC(=O)[C@@H]2CCCCN2C(=O)[O-])c1 ZINC000834283940 605308590 /nfs/dbraw/zinc/30/85/90/605308590.db2.gz ZLGVJOLTJGZXJS-ZDUSSCGKSA-N -2 0 320.345 1.576 20 0 DDADRL O=C([O-])NC1(CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CCC1 ZINC000834156338 606030422 /nfs/dbraw/zinc/03/04/22/606030422.db2.gz YXCPTKRPTIWFAS-LBPRGKRZSA-N -2 0 320.345 1.379 20 0 DDADRL O=C([O-])NC[C@@H](C(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000834209099 606033649 /nfs/dbraw/zinc/03/36/49/606033649.db2.gz CJXHKQXNOJJMOM-QWHCGFSZSA-N -2 0 320.345 1.361 20 0 DDADRL Cc1cc(NC(=O)[C@H]2CSCN2C(=O)[O-])ccc1C(=O)[O-] ZINC000833900311 606060291 /nfs/dbraw/zinc/06/02/91/606060291.db2.gz DKKPOYPPSIDJQH-SNVBAGLBSA-N -2 0 310.331 1.685 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)NCc2ccc(C(=O)[O-])o2)o1 ZINC000834249082 606062397 /nfs/dbraw/zinc/06/23/97/606062397.db2.gz NLVCIIJPXWKCFM-UHFFFAOYSA-N -2 0 308.246 1.268 20 0 DDADRL O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000834171134 606065517 /nfs/dbraw/zinc/06/55/17/606065517.db2.gz SZGUIOWOSOCPNC-YUMQZZPRSA-N -2 0 310.281 1.899 20 0 DDADRL O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CCCN1C(=O)[O-])CC2 ZINC000834282772 606113993 /nfs/dbraw/zinc/11/39/93/606113993.db2.gz FOJLARMJFNNXOD-CYBMUJFWSA-N -2 0 318.329 1.412 20 0 DDADRL O=C(OCc1n[nH]c(=O)[n-]1)c1cccc(Br)c1O ZINC000774943525 697945511 /nfs/dbraw/zinc/94/55/11/697945511.db2.gz YYMQWWMPRHLJMY-UHFFFAOYSA-N -2 0 314.095 1.335 20 0 DDADRL O=C([O-])CCCNC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263470771 698508992 /nfs/dbraw/zinc/50/89/92/698508992.db2.gz LGZUNSZDIPFTOU-ZDUSSCGKSA-N -2 0 322.361 1.627 20 0 DDADRL CCC(C)(C)[C@@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000843293365 702855301 /nfs/dbraw/zinc/85/53/01/702855301.db2.gz GFGWUPFJEZLDPU-BQBZGAKWSA-N -2 0 305.318 1.746 20 0 DDADRL CC(C)(C)CS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000863954838 706045882 /nfs/dbraw/zinc/04/58/82/706045882.db2.gz OGOLXIIKWCCQCK-SNVBAGLBSA-N -2 0 305.396 1.370 20 0 DDADRL CC[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000863958526 706046613 /nfs/dbraw/zinc/04/66/13/706046613.db2.gz BNEBBXPSUPKLIL-VIFPVBQESA-N -2 0 315.347 1.008 20 0 DDADRL O=C([O-])C[C@H]1COCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000909618205 709542550 /nfs/dbraw/zinc/54/25/50/709542550.db2.gz YFJYXSRVTNEAOK-QMMMGPOBSA-N -2 0 317.700 1.500 20 0 DDADRL CC[C@H]1CC[C@H](C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])CC1 ZINC000910185496 709801928 /nfs/dbraw/zinc/80/19/28/709801928.db2.gz WLLHTTZVNFHYQQ-LPWJVIDDSA-N -2 0 311.378 1.979 20 0 DDADRL CCc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC000910186619 709802333 /nfs/dbraw/zinc/80/23/33/709802333.db2.gz SLFJPWBGFNQPLM-STQMWFEESA-N -2 0 305.330 1.639 20 0 DDADRL C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC000910192476 709805715 /nfs/dbraw/zinc/80/57/15/709805715.db2.gz QVDXOZKRXQTLBW-UFGOTCBOSA-N -2 0 323.320 1.706 20 0 DDADRL O=C([O-])C[C@H](CN=c1nn[n-]n1Cc1ccccc1)C1CC1 ZINC000910317056 709886533 /nfs/dbraw/zinc/88/65/33/709886533.db2.gz IPNCBNHUQZYCCM-CYBMUJFWSA-N -2 0 301.350 1.056 20 0 DDADRL COc1ccc(C(C)(C)C(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001180876182 742974527 /nfs/dbraw/zinc/97/45/27/742974527.db2.gz VCGRVFUHNZSTKS-UHFFFAOYSA-N -2 0 317.278 1.198 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2ncccc2CO)cc1C(=O)[O-] ZINC001184664863 744080352 /nfs/dbraw/zinc/08/03/52/744080352.db2.gz VYLRVMZZJCMEOV-UHFFFAOYSA-N -2 0 322.342 1.381 20 0 DDADRL O=S(=O)(CC1CC1)[N-]c1ncc(Br)cc1[O-] ZINC001188930001 744787631 /nfs/dbraw/zinc/78/76/31/744787631.db2.gz UIXICCYOIBOLFK-UHFFFAOYSA-N -2 0 307.169 1.701 20 0 DDADRL Cc1nocc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192686256 745862742 /nfs/dbraw/zinc/86/27/42/745862742.db2.gz LZLWOZUWHUDMBH-UHFFFAOYSA-N -2 0 312.303 1.247 20 0 DDADRL O=C(N[C@@H]1SC(=O)[N-]C1=O)c1cc(Cl)nc(Cl)c1[O-] ZINC001193093777 745987801 /nfs/dbraw/zinc/98/78/01/745987801.db2.gz LYTKBUQJEWRBQE-MRVPVSSYSA-N -2 0 322.129 1.133 20 0 DDADRL O=C(NC1C(=O)N=CN=C1[O-])c1c([O-])c(F)c(F)c(F)c1F ZINC001195289905 746569545 /nfs/dbraw/zinc/56/95/45/746569545.db2.gz CIZFQWREJSUHEK-UHFFFAOYSA-N -2 0 319.170 1.402 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnc2ccccn12 ZINC001198742309 747586880 /nfs/dbraw/zinc/58/68/80/747586880.db2.gz ZGWWUWZTMTVDOJ-UHFFFAOYSA-N -2 0 317.326 1.833 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1nccn2ccnc12 ZINC001198742214 747586939 /nfs/dbraw/zinc/58/69/39/747586939.db2.gz YCRKZVLBHZBHMZ-UHFFFAOYSA-N -2 0 318.314 1.228 20 0 DDADRL CCOC(=O)c1n[n-]sc1=NC(=O)[N-]C(=O)c1ccccc1 ZINC001202441628 748781879 /nfs/dbraw/zinc/78/18/79/748781879.db2.gz HIYFWLUGACWBKU-UHFFFAOYSA-N -2 0 320.330 1.677 20 0 DDADRL COc1cc(C(F)(F)F)cc(NCCOP(=O)([O-])[O-])n1 ZINC001168586833 751180554 /nfs/dbraw/zinc/18/05/54/751180554.db2.gz LUNQJJOLDDDBOV-UHFFFAOYSA-N -2 0 316.172 1.630 20 0 DDADRL O=P([O-])([O-])OCCNc1ccc(OCC2CCC2)nc1 ZINC001168592206 751227020 /nfs/dbraw/zinc/22/70/20/751227020.db2.gz MZBDPWJHFBWQMY-UHFFFAOYSA-N -2 0 302.267 1.782 20 0 DDADRL O=C1CSCN1c1ccc(NCCOP(=O)([O-])[O-])cc1 ZINC001168592512 751227988 /nfs/dbraw/zinc/22/79/88/751227988.db2.gz SKAVTFAQGLUESD-UHFFFAOYSA-N -2 0 318.291 1.245 20 0 DDADRL CC1(C)NC(=O)Nc2cc(NCCOP(=O)([O-])[O-])ccc21 ZINC001168596302 751271078 /nfs/dbraw/zinc/27/10/78/751271078.db2.gz SURSJDHSJDXVIM-UHFFFAOYSA-N -2 0 315.266 1.578 20 0 DDADRL O=C([O-])c1cc(Nc2cc(=O)[nH]c(=S)[nH]2)cc(C(=O)[O-])c1 ZINC001176237845 778087367 /nfs/dbraw/zinc/08/73/67/778087367.db2.gz GKOSMLHJFCGWHK-UHFFFAOYSA-N -2 0 307.287 1.611 20 0 DDADRL CCc1cccc(CC)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001226176898 882252926 /nfs/dbraw/zinc/25/29/26/882252926.db2.gz HOQFVHZKSQXJQR-WCQYABFASA-N -2 0 324.329 1.253 20 0 DDADRL Cc1cc(Cl)ccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001226880779 882698451 /nfs/dbraw/zinc/69/84/51/882698451.db2.gz CMWODHPNYFUVIZ-LDYMZIIASA-N -2 0 316.693 1.090 20 0 DDADRL Cc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])nc1 ZINC001210176301 875257865 /nfs/dbraw/zinc/25/78/65/875257865.db2.gz HQKBJLJOSAXBIZ-UHFFFAOYSA-N -2 0 307.331 1.471 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)n(C)n1 ZINC000314354344 878658093 /nfs/dbraw/zinc/65/80/93/878658093.db2.gz LWVKLINDSQVESD-UHFFFAOYSA-N -2 0 323.374 1.547 20 0 DDADRL CCCOC(=O)[C@H](C)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234332383 887868858 /nfs/dbraw/zinc/86/88/58/887868858.db2.gz PBDNFRRRNZVDGY-VIFPVBQESA-N -2 0 304.235 1.879 20 0 DDADRL COC(=O)c1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cc1OC ZINC001240446255 890930926 /nfs/dbraw/zinc/93/09/26/890930926.db2.gz GZWHQYTVECGJAS-UHFFFAOYSA-N -2 0 322.253 1.952 20 0 DDADRL COCCOc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nn1 ZINC001242160022 891354409 /nfs/dbraw/zinc/35/44/09/891354409.db2.gz AGGLPCMHWHYCMZ-UHFFFAOYSA-N -2 0 318.285 1.565 20 0 DDADRL Cn1nc2c(c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)CCC2 ZINC001260183289 899076479 /nfs/dbraw/zinc/07/64/79/899076479.db2.gz IJWIGHOUCGOKPO-UHFFFAOYSA-N -2 0 321.358 1.408 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)on1 ZINC001260393806 899133935 /nfs/dbraw/zinc/13/39/35/899133935.db2.gz WKJFPAYGDNUGAL-UHFFFAOYSA-N -2 0 312.303 1.442 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000097064039 185405554 /nfs/dbraw/zinc/40/55/54/185405554.db2.gz YHGDSJLZZFRFHC-SVRRBLITSA-N -2 0 323.292 1.636 20 0 DDADRL O=C([O-])CNC(=O)c1ccc(Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000071703559 191009209 /nfs/dbraw/zinc/00/92/09/191009209.db2.gz IKXLTQVLDULULI-UHFFFAOYSA-N -2 0 314.297 1.943 20 0 DDADRL O=C([O-])CC1(NS(=O)(=O)c2ccc(F)c(F)c2)CCC1 ZINC000094291258 193356147 /nfs/dbraw/zinc/35/61/47/193356147.db2.gz AOKLFRITZVEAQA-UHFFFAOYSA-N -2 0 305.302 1.641 20 0 DDADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000044750170 248190866 /nfs/dbraw/zinc/19/08/66/248190866.db2.gz HBNNBQUQICKUBB-UHFFFAOYSA-N -2 0 309.347 1.834 20 0 DDADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000352438590 285050922 /nfs/dbraw/zinc/05/09/22/285050922.db2.gz QXNVLIZEUGEGSN-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(C)cc1C ZINC000569034666 304331644 /nfs/dbraw/zinc/33/16/44/304331644.db2.gz SIXUCAVXVDXXFB-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL CCOc1ncccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000037040787 406985596 /nfs/dbraw/zinc/98/55/96/406985596.db2.gz UEICBIHEPFYYOA-UHFFFAOYSA-N -2 0 311.319 1.307 20 0 DDADRL N#CCc1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000193356761 408712743 /nfs/dbraw/zinc/71/27/43/408712743.db2.gz SVRNPVZHGWNMFR-UHFFFAOYSA-N -2 0 305.315 1.580 20 0 DDADRL Cn1ncc(Cl)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000227864075 163338783 /nfs/dbraw/zinc/33/87/83/163338783.db2.gz QDCGULQKCWJPDM-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C(=O)[O-] ZINC000287307234 409016788 /nfs/dbraw/zinc/01/67/88/409016788.db2.gz UABQWTWCJLYWOM-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000314189589 164013292 /nfs/dbraw/zinc/01/32/92/164013292.db2.gz GDWJIGWWVBDBJZ-UHFFFAOYSA-N -2 0 322.342 1.727 20 0 DDADRL Cc1nc(C=Cc2ccc(C(=O)[O-])cc2)[nH]c(=O)c1CC(=O)[O-] ZINC000347383731 410511572 /nfs/dbraw/zinc/51/15/72/410511572.db2.gz PFJKUNRLZUVRBS-DAXSKMNVSA-N -2 0 314.297 1.986 20 0 DDADRL O=C(c1c([O-])cccc1F)N1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000333612624 410587488 /nfs/dbraw/zinc/58/74/88/410587488.db2.gz YFAJZIMDAMYGDF-VIFPVBQESA-N -2 0 306.297 1.722 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1C(=O)[O-] ZINC000356480629 298802595 /nfs/dbraw/zinc/80/25/95/298802595.db2.gz NXYHGJAEYGUNPA-UHFFFAOYSA-N -2 0 309.347 1.834 20 0 DDADRL C[C@H]1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)C[C@H]1C(=O)[O-] ZINC000577610478 422391682 /nfs/dbraw/zinc/39/16/82/422391682.db2.gz JAIKLXKADVWPDV-POYBYMJQSA-N -2 0 317.263 1.992 20 0 DDADRL CC[C@H](C(=O)[O-])N(C)C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000653341642 423446697 /nfs/dbraw/zinc/44/66/97/423446697.db2.gz IWDDLKXSSPOJFP-SNVBAGLBSA-N -2 0 321.308 1.652 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000659422986 423827185 /nfs/dbraw/zinc/82/71/85/423827185.db2.gz HVLFZRGWUJLXBX-UHFFFAOYSA-N -2 0 312.366 1.528 20 0 DDADRL O=C([O-])CCCCC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000655541240 424554200 /nfs/dbraw/zinc/55/42/00/424554200.db2.gz ZMQRMXHVZDWWMX-UHFFFAOYSA-N -2 0 301.339 1.114 20 0 DDADRL CC(C)[C@@H](CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1)C(=O)[O-] ZINC000655896650 424691907 /nfs/dbraw/zinc/69/19/07/424691907.db2.gz MZLDWBMKDOGFEQ-WDEREUQCSA-N -2 0 300.355 1.240 20 0 DDADRL CSc1nc(=NC(=O)c2nn(-c3ccccc3)cc2[O-])[n-][nH]1 ZINC000362662543 300112375 /nfs/dbraw/zinc/11/23/75/300112375.db2.gz JFLQRLMKCCCOBJ-UHFFFAOYSA-N -2 0 316.346 1.092 20 0 DDADRL Cc1cc([C@H](NC(=O)N=c2[n-]ncs2)C(=O)[O-])ccc1F ZINC000577340831 308379806 /nfs/dbraw/zinc/37/98/06/308379806.db2.gz VWEWAXVONQUQQG-VIFPVBQESA-N -2 0 310.310 1.355 20 0 DDADRL O=C([O-])c1cnc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)c(Cl)c1 ZINC000662895168 484527405 /nfs/dbraw/zinc/52/74/05/484527405.db2.gz BYFGSXYZESCWAL-JISRMSBWSA-N -2 0 300.698 1.069 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)c2cnc(C(=O)[O-])cn2)c1 ZINC000669961460 484699233 /nfs/dbraw/zinc/69/92/33/484699233.db2.gz GRHSMHGIRINAIO-UHFFFAOYSA-N -2 0 301.258 1.054 20 0 DDADRL COc1ccc(-n2cc([O-])c(C(=O)N(C)CCC(=O)[O-])n2)cc1 ZINC000820805253 598220573 /nfs/dbraw/zinc/22/05/73/598220573.db2.gz PRPVWGYFQCONMU-UHFFFAOYSA-N -2 0 319.317 1.133 20 0 DDADRL O=C([O-])[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000739548236 599729078 /nfs/dbraw/zinc/72/90/78/599729078.db2.gz OWLAZMZRYVGBKT-RNFRBKRXSA-N -2 0 321.713 1.005 20 0 DDADRL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1C(N)=O ZINC000738736088 599737723 /nfs/dbraw/zinc/73/77/23/599737723.db2.gz JZPPFUJMFHPJBO-UHFFFAOYSA-N -2 0 324.314 1.186 20 0 DDADRL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cn1 ZINC000037029370 599801900 /nfs/dbraw/zinc/80/19/00/599801900.db2.gz CICWHHVTIICQDY-UHFFFAOYSA-N -2 0 311.319 1.240 20 0 DDADRL CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736457413 599913381 /nfs/dbraw/zinc/91/33/81/599913381.db2.gz IGOHXGNGDFIDEC-UHFFFAOYSA-N -2 0 315.351 1.091 20 0 DDADRL CCn1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000737311985 600054356 /nfs/dbraw/zinc/05/43/56/600054356.db2.gz JMKOUZVXDRHYKO-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL CCc1cccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])c1 ZINC000737269945 600228760 /nfs/dbraw/zinc/22/87/60/600228760.db2.gz LGNHXVWDENSZFZ-UHFFFAOYSA-N -2 0 309.347 1.780 20 0 DDADRL O=C([O-])c1cc(Cl)ccc1OS(=O)(=O)c1cnc[n-]1 ZINC000740076281 600265178 /nfs/dbraw/zinc/26/51/78/600265178.db2.gz UYJZJQJBXQXHEX-UHFFFAOYSA-N -2 0 302.695 1.529 20 0 DDADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cn1 ZINC000038030485 600529237 /nfs/dbraw/zinc/52/92/37/600529237.db2.gz HYQJOJBUDLIQQR-UHFFFAOYSA-N -2 0 317.273 1.047 20 0 DDADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2c(F)cccc2F)cn1 ZINC000038030488 600529257 /nfs/dbraw/zinc/52/92/57/600529257.db2.gz MRRZCBBSGNUIRF-UHFFFAOYSA-N -2 0 317.273 1.047 20 0 DDADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000035651697 600672933 /nfs/dbraw/zinc/67/29/33/600672933.db2.gz NDESBIXVDDBMMY-UHFFFAOYSA-N -2 0 317.273 1.047 20 0 DDADRL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000827213854 600679604 /nfs/dbraw/zinc/67/96/04/600679604.db2.gz UHAXKSXQASYWTO-MRVPVSSYSA-N -2 0 324.362 1.681 20 0 DDADRL Cc1nc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)sc1C ZINC000070157171 600976044 /nfs/dbraw/zinc/97/60/44/600976044.db2.gz MQNKHDFJTYGGOD-UHFFFAOYSA-N -2 0 318.401 2.320 20 0 DDADRL Cc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c(F)cc1F ZINC000832864907 601206800 /nfs/dbraw/zinc/20/68/00/601206800.db2.gz WZVCEEYOZFCHBV-UHFFFAOYSA-N -2 0 321.301 1.198 20 0 DDADRL CC[C@@H](C)CS(=O)(=O)C=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C ZINC000828747737 601614188 /nfs/dbraw/zinc/61/41/88/601614188.db2.gz VEHKBKKGBMMXDS-MRVPVSSYSA-N -2 0 315.391 1.973 20 0 DDADRL O=C([O-])NC[C@@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000740628846 602379033 /nfs/dbraw/zinc/37/90/33/602379033.db2.gz DVMMTLSDAPOEDE-VIFPVBQESA-N -2 0 322.390 1.877 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)NC(=O)[O-] ZINC000736964388 602728550 /nfs/dbraw/zinc/72/85/50/602728550.db2.gz DLBGFYWZEMEBCR-WDEREUQCSA-N -2 0 322.427 1.551 20 0 DDADRL C[C@H](CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)NC(=O)[O-] ZINC000824687095 602806607 /nfs/dbraw/zinc/80/66/07/602806607.db2.gz UUAXWCFYFJJOET-SSDOTTSWSA-N -2 0 306.278 1.015 20 0 DDADRL COc1ccccc1[C@@H](NC(=O)[O-])C(=O)[N-]O[C@H]1CCCCO1 ZINC000739967164 602900196 /nfs/dbraw/zinc/90/01/96/602900196.db2.gz GKQDYZJBBAVTEB-QWHCGFSZSA-N -2 0 324.333 1.578 20 0 DDADRL CCS(=O)(=O)[N-]C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739519005 602964561 /nfs/dbraw/zinc/96/45/61/602964561.db2.gz SJNHXPBJGZZRDD-UHFFFAOYSA-N -2 0 306.727 1.509 20 0 DDADRL O=C([O-])NC1(C(=O)[N-]O[C@H]2CCCCO2)Cc2ccccc2C1 ZINC000740541605 603126257 /nfs/dbraw/zinc/12/62/57/603126257.db2.gz LLNIHYWAQPPSIP-ZDUSSCGKSA-N -2 0 320.345 1.366 20 0 DDADRL O=C([O-])c1ccc(NC(=O)C(=O)[N-]OCC(F)(F)F)c(F)c1 ZINC000821458355 604424167 /nfs/dbraw/zinc/42/41/67/604424167.db2.gz YGODOVOPQUGPKJ-UHFFFAOYSA-N -2 0 324.186 1.073 20 0 DDADRL Cc1ccc2c(O)c(C(=O)N3CC[C@H](NC(=O)[O-])C3)cnc2n1 ZINC000740157225 605157914 /nfs/dbraw/zinc/15/79/14/605157914.db2.gz XPAQIVVOZIZHGW-VIFPVBQESA-N -2 0 316.317 1.126 20 0 DDADRL O=C([O-])CC[C@H]1CCCN(C(=O)[C@@H]2CSCN2C(=O)[O-])C1 ZINC000834060944 605307067 /nfs/dbraw/zinc/30/70/67/605307067.db2.gz YQJLNMKFNAWVBR-ZJUUUORDSA-N -2 0 316.379 1.143 20 0 DDADRL CC(C)(C)n1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n1 ZINC000833452236 605343362 /nfs/dbraw/zinc/34/33/62/605343362.db2.gz RZLMJYUYQFQJTG-UHFFFAOYSA-N -2 0 314.323 1.125 20 0 DDADRL Cc1cc(C(=O)[N-]S(=O)(=O)CCCF)ccc1NC(=O)[O-] ZINC000829961981 605424507 /nfs/dbraw/zinc/42/45/07/605424507.db2.gz QVFXSMGLBFUEEU-UHFFFAOYSA-N -2 0 318.326 1.504 20 0 DDADRL O=C([O-])C[C@H](NC(=O)CCCNC(=O)[O-])c1ccc(F)cc1 ZINC000834060257 606031008 /nfs/dbraw/zinc/03/10/08/606031008.db2.gz HDPALLZFOUCMKW-NSHDSACASA-N -2 0 312.297 1.506 20 0 DDADRL CC(C)[C@H](NC(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-])C(=O)[O-] ZINC000833792228 606032303 /nfs/dbraw/zinc/03/23/03/606032303.db2.gz BUKFGPBIFPATRB-OCCSQVGLSA-N -2 0 322.361 1.481 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000834245855 606034882 /nfs/dbraw/zinc/03/48/82/606034882.db2.gz GTJYGYUCYGDBME-GFCCVEGCSA-N -2 0 306.318 1.534 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)[C@H]2CSCN2C(=O)[O-])c1 ZINC000834282618 606057779 /nfs/dbraw/zinc/05/77/79/606057779.db2.gz CMLKMESJNAZDMU-SNVBAGLBSA-N -2 0 310.331 1.054 20 0 DDADRL O=C([O-])[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000834019471 606064989 /nfs/dbraw/zinc/06/49/89/606064989.db2.gz ONIZEZRDVBCNBF-OLZOCXBDSA-N -2 0 320.345 1.361 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000834171131 606065722 /nfs/dbraw/zinc/06/57/22/606065722.db2.gz SZGUIOWOSOCPNC-HTQZYQBOSA-N -2 0 310.281 1.899 20 0 DDADRL O=C([O-])Nc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC000834257360 606113139 /nfs/dbraw/zinc/11/31/39/606113139.db2.gz IKSKJMPYNSVYSZ-SSDOTTSWSA-N -2 0 312.709 1.977 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])CC1 ZINC000834060641 606113960 /nfs/dbraw/zinc/11/39/60/606113960.db2.gz UGCZTKOUHWRWBC-RYUDHWBXSA-N -2 0 312.366 1.526 20 0 DDADRL O=C([N-]OCCC(F)(F)F)c1n[nH]c2ccccc2c1=O ZINC000155088892 696942376 /nfs/dbraw/zinc/94/23/76/696942376.db2.gz BEJOHLLTJQKKCF-UHFFFAOYSA-N -2 0 301.224 1.537 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]Cc1cccc(C(=O)[O-])c1 ZINC000776531773 698113571 /nfs/dbraw/zinc/11/35/71/698113571.db2.gz SIIXXVARTUGVRQ-SSDOTTSWSA-N -2 0 311.281 1.755 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](Cc1ccco1)C(=O)[O-] ZINC000776541699 698114467 /nfs/dbraw/zinc/11/44/67/698114467.db2.gz HSZMXCIOWOCVMZ-SVRRBLITSA-N -2 0 315.269 1.146 20 0 DDADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2c[nH]cn2)cc1F ZINC000312168486 698676684 /nfs/dbraw/zinc/67/66/84/698676684.db2.gz WXGPSGBHJDYFRW-UHFFFAOYSA-N -2 0 303.246 1.187 20 0 DDADRL O=C([N-]C[C@@H]1CCC[C@@H]([N-]C(=O)C(F)(F)F)C1)C(F)(F)F ZINC000732161632 699548644 /nfs/dbraw/zinc/54/86/44/699548644.db2.gz HOGCXKTXGGTDTK-RNFRBKRXSA-N -2 0 320.233 1.902 20 0 DDADRL Cc1ccc(-c2ocnc2C(=O)[N-]n2c(=O)[n-][nH]c2=O)cc1 ZINC000816732127 702168434 /nfs/dbraw/zinc/16/84/34/702168434.db2.gz TVRTYWBBBHCDPY-UHFFFAOYSA-N -2 0 301.262 1.037 20 0 DDADRL O=C([O-])CCn1cc(-c2ccccc2[C@@H](O)CC(=O)[O-])cn1 ZINC000849476927 703652480 /nfs/dbraw/zinc/65/24/80/703652480.db2.gz YXYWJEYUINYDQT-ZDUSSCGKSA-N -2 0 304.302 1.533 20 0 DDADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000863952272 706044555 /nfs/dbraw/zinc/04/45/55/706044555.db2.gz QMOKUOTWDAVCTD-JTQLQIEISA-N -2 0 317.338 1.378 20 0 DDADRL O=C([O-])CCC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000863959546 706046515 /nfs/dbraw/zinc/04/65/15/706046515.db2.gz IONKUOXCFCGHEZ-UHFFFAOYSA-N -2 0 323.729 1.290 20 0 DDADRL CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-] ZINC000863962678 706047085 /nfs/dbraw/zinc/04/70/85/706047085.db2.gz TUFCSLUQLRJFOC-NSHDSACASA-N -2 0 313.375 1.695 20 0 DDADRL CCC[C@H](NC(=O)c1ccc2oc(=S)[n-]c2c1)c1nnn[n-]1 ZINC000829800630 706398480 /nfs/dbraw/zinc/39/84/80/706398480.db2.gz IHKDJVAYQXQOQY-QMMMGPOBSA-N -2 0 318.362 1.901 20 0 DDADRL CC[C@H](C)N(OC)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000830474876 706523117 /nfs/dbraw/zinc/52/31/17/706523117.db2.gz PEBSRCLDVAOEBR-QMMMGPOBSA-N -2 0 306.322 1.547 20 0 DDADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)CCc1cccc(F)c1 ZINC000899931411 709241216 /nfs/dbraw/zinc/24/12/16/709241216.db2.gz LOXHUBOXANZLCL-UHFFFAOYSA-N -2 0 311.281 1.008 20 0 DDADRL C/C(=C/C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccccc1 ZINC000910190361 709804659 /nfs/dbraw/zinc/80/46/59/709804659.db2.gz WLGOTIDJPSKPBU-PAZCZOEESA-N -2 0 317.341 1.866 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CSC(F)(F)F ZINC000910190413 709804774 /nfs/dbraw/zinc/80/47/74/709804774.db2.gz WMTOKQKEKKOLFB-NTSWFWBYSA-N -2 0 315.269 1.016 20 0 DDADRL C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1cccc(F)c1 ZINC000910192474 709805920 /nfs/dbraw/zinc/80/59/20/709805920.db2.gz QVDXOZKRXQTLBW-GAFUQQFSSA-N -2 0 323.320 1.706 20 0 DDADRL CC1(C(=O)[O-])CCN(C(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC000901704176 710125954 /nfs/dbraw/zinc/12/59/54/710125954.db2.gz FFQUUVMIOJXISL-UHFFFAOYSA-N -2 0 305.330 1.641 20 0 DDADRL CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000906788781 712411759 /nfs/dbraw/zinc/41/17/59/712411759.db2.gz NELBNOLWEPOHCC-QMMMGPOBSA-N -2 0 321.782 1.919 20 0 DDADRL CC(C)[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906828860 712418446 /nfs/dbraw/zinc/41/84/46/712418446.db2.gz PXOUBBPCXMVGFI-LLVKDONJSA-N -2 0 313.375 1.900 20 0 DDADRL O=C([O-])[C@@]1(C(=O)[N-]OCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000907850068 712635570 /nfs/dbraw/zinc/63/55/70/712635570.db2.gz KVPMHWDEVXGIBR-CABZTGNLSA-N -2 0 303.236 1.855 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(CO)n2)cc1C(=O)[O-] ZINC001184667283 744080843 /nfs/dbraw/zinc/08/08/43/744080843.db2.gz HDOVNIXZJPVRIC-UHFFFAOYSA-N -2 0 322.342 1.381 20 0 DDADRL COc1ccnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC001185871769 744297163 /nfs/dbraw/zinc/29/71/63/744297163.db2.gz YPDILTKCIPCEGE-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL C[C@@H](CCc1ccccc1)C(=O)NCCOP(=O)([O-])[O-] ZINC001186023513 744327540 /nfs/dbraw/zinc/32/75/40/744327540.db2.gz DOTPWYRRAQSUKW-NSHDSACASA-N -2 0 301.279 1.481 20 0 DDADRL CC(C)OC1CN(C(=O)c2ccccc2OP(=O)([O-])[O-])C1 ZINC001189886252 745041874 /nfs/dbraw/zinc/04/18/74/745041874.db2.gz CRIMYUWLZGSGCN-UHFFFAOYSA-N -2 0 315.262 1.408 20 0 DDADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cscn2)cc1 ZINC001192109361 745692221 /nfs/dbraw/zinc/69/22/21/745692221.db2.gz ACCVJNPSXCDBRS-UHFFFAOYSA-N -2 0 312.372 1.961 20 0 DDADRL Cc1cnc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cn1 ZINC001192677795 745859381 /nfs/dbraw/zinc/85/93/81/745859381.db2.gz OOYPKUTUGIIHCE-UHFFFAOYSA-N -2 0 323.330 1.049 20 0 DDADRL CCOC(=O)c1cnc(NC(=O)c2ccc(F)c(F)c2[O-])[n-]1 ZINC001192784887 745891651 /nfs/dbraw/zinc/89/16/51/745891651.db2.gz SXTYEQDBSVCYTP-UHFFFAOYSA-N -2 0 311.244 1.823 20 0 DDADRL COC(=O)CCCCS(=O)(=O)[N-]c1cc(F)cc(F)c1[O-] ZINC001196964490 747022314 /nfs/dbraw/zinc/02/23/14/747022314.db2.gz BGAAVNXWHSMUMV-UHFFFAOYSA-N -2 0 323.317 1.755 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2ccc(F)cc2)C1 ZINC000827897741 759413265 /nfs/dbraw/zinc/41/32/65/759413265.db2.gz FIADBIMDFZWUMF-JQWIXIFHSA-N -2 0 309.293 1.145 20 0 DDADRL O=C([O-])c1cc(Nc2cnc3c(c2)CC(=O)N3)cc(C(=O)[O-])c1 ZINC001176238488 778088670 /nfs/dbraw/zinc/08/86/70/778088670.db2.gz GMYVLHGBKHIMSO-UHFFFAOYSA-N -2 0 313.269 1.716 20 0 DDADRL COC(=O)c1ncc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001176238135 778089218 /nfs/dbraw/zinc/08/92/18/778089218.db2.gz JWAVDBWWHYGCAD-UHFFFAOYSA-N -2 0 317.257 1.403 20 0 DDADRL COc1ncnc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1OC ZINC001176239548 778089864 /nfs/dbraw/zinc/08/98/64/778089864.db2.gz QMVUUTLEQGJLPD-UHFFFAOYSA-N -2 0 319.273 1.634 20 0 DDADRL C[C@@H](OC(=O)[C@H](O)COP(=O)([O-])[O-])c1ccc(Cl)cc1 ZINC001223962552 881165540 /nfs/dbraw/zinc/16/55/40/881165540.db2.gz IHXYYZSYITZUBZ-GMSGAONNSA-N -2 0 324.653 1.414 20 0 DDADRL CN(C)C(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1 ZINC001242159578 891355015 /nfs/dbraw/zinc/35/50/15/891355015.db2.gz MZZUMHCJYQPJKX-UHFFFAOYSA-N -2 0 314.297 1.847 20 0 DDADRL O=C([O-])c1cc(-c2nnc(C3CCC3)o2)cc(S(=O)(=O)[O-])c1 ZINC001255252056 896810125 /nfs/dbraw/zinc/81/01/25/896810125.db2.gz DUXZPWKXLCEBLJ-UHFFFAOYSA-N -2 0 324.314 1.949 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnnc(Cl)c2)c1 ZINC001260183233 899077288 /nfs/dbraw/zinc/07/72/88/899077288.db2.gz FJXZUHUOHXSADN-UHFFFAOYSA-N -2 0 313.722 1.629 20 0 DDADRL Cc1cc(O)cnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260221225 899096550 /nfs/dbraw/zinc/09/65/50/899096550.db2.gz NBDHQCLMZKRLMY-UHFFFAOYSA-N -2 0 308.315 1.595 20 0 DDADRL C[C@H]1CN(C(=O)NCc2cccc(C(=O)[O-])c2)CC[C@@H]1C(=O)[O-] ZINC000626767721 367734865 /nfs/dbraw/zinc/73/48/65/367734865.db2.gz SKHBMLUHGXDNKR-GWCFXTLKSA-N -2 0 320.345 1.637 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2cnc(C)nc2)ccc1C(=O)[O-] ZINC000349975466 284124549 /nfs/dbraw/zinc/12/45/49/284124549.db2.gz SLSBLOAJQHOFJU-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1 ZINC000350729012 284250071 /nfs/dbraw/zinc/25/00/71/284250071.db2.gz HVWKWNOZDSJYSU-UHFFFAOYSA-N -2 0 307.331 1.471 20 0 DDADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nccs1 ZINC000021513826 182277046 /nfs/dbraw/zinc/27/70/46/182277046.db2.gz UYQKSNYUUKOMMF-UHFFFAOYSA-N -2 0 314.344 1.651 20 0 DDADRL COc1cncc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c1 ZINC000337141017 249362558 /nfs/dbraw/zinc/36/25/58/249362558.db2.gz RUQWBCCAYKMTQX-UHFFFAOYSA-N -2 0 322.342 1.518 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-] ZINC000061564257 184174558 /nfs/dbraw/zinc/17/45/58/184174558.db2.gz AFCPHYAHEABTGE-UHFFFAOYSA-N -2 0 317.273 1.495 20 0 DDADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)CCOC ZINC000362201647 300028023 /nfs/dbraw/zinc/02/80/23/300028023.db2.gz VHQGZROYCRYNSY-UHFFFAOYSA-N -2 0 321.326 1.311 20 0 DDADRL COCCS(=O)(=O)Nc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000125486939 407389813 /nfs/dbraw/zinc/38/98/13/407389813.db2.gz RGRCQXQJPMALCV-JTQLQIEISA-N -2 0 301.364 1.653 20 0 DDADRL Cc1ncc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)s1 ZINC000230070966 407678909 /nfs/dbraw/zinc/67/89/09/407678909.db2.gz BEPQFZYKGZITFS-UHFFFAOYSA-N -2 0 314.344 1.656 20 0 DDADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000314364121 164014606 /nfs/dbraw/zinc/01/46/06/164014606.db2.gz NQJSVVQCZNISTC-UHFFFAOYSA-N -2 0 324.358 1.841 20 0 DDADRL Cn1[nH]c(=NC(=O)c2ccc([O-])cc2F)cc1OC(F)F ZINC000436818183 420369926 /nfs/dbraw/zinc/36/99/26/420369926.db2.gz DRDINTHUGURGEK-UHFFFAOYSA-N -2 0 301.224 1.540 20 0 DDADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cnc3n2CCC3)c1O ZINC000436997185 420390761 /nfs/dbraw/zinc/39/07/61/420390761.db2.gz VZPFZWGYVDFUMP-UHFFFAOYSA-N -2 0 323.330 1.034 20 0 DDADRL COc1cc(C(=O)[O-])ccc1-n1[n-]c([C@H]2CCOC2)cc1=O ZINC000634612482 422506881 /nfs/dbraw/zinc/50/68/81/422506881.db2.gz ZLQSLLZHUOKLHH-JTQLQIEISA-N -2 0 304.302 1.523 20 0 DDADRL CCC(CC)(CNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC000646163087 423374956 /nfs/dbraw/zinc/37/49/56/423374956.db2.gz QVWCWJMCUZZWHV-VHSXEESVSA-N -2 0 300.355 1.430 20 0 DDADRL O=C([O-])C1(CN=c2nc(-c3ccccc3)[n-]s2)CCOCC1 ZINC000647457901 424042536 /nfs/dbraw/zinc/04/25/36/424042536.db2.gz HBMCNGVLFGLJHV-UHFFFAOYSA-N -2 0 319.386 1.920 20 0 DDADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC[C@@H](C)C(=O)[O-])n1 ZINC000655560626 424568756 /nfs/dbraw/zinc/56/87/56/424568756.db2.gz JZDWNLRQMSOCPC-SECBINFHSA-N -2 0 321.308 1.476 20 0 DDADRL C[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655574634 424578394 /nfs/dbraw/zinc/57/83/94/424578394.db2.gz VKTHUIMLMKNYSW-LDMBFOFVSA-N -2 0 311.378 1.739 20 0 DDADRL CC[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)CC)C(=O)[O-] ZINC000263019658 288031215 /nfs/dbraw/zinc/03/12/15/288031215.db2.gz SINWVRZWVAVDHZ-JTQLQIEISA-N -2 0 314.363 1.041 20 0 DDADRL CCn1cncc1S(=O)(=O)[N-]c1ccc(C)cc1C(=O)[O-] ZINC000548193178 303576517 /nfs/dbraw/zinc/57/65/17/303576517.db2.gz DGCXANIROCMENH-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL O=C([O-])COc1ccc(CCN=c2[n-]nc(C3CC3)s2)cc1 ZINC000576163232 308293480 /nfs/dbraw/zinc/29/34/80/308293480.db2.gz FQDDJMLBMJVJID-UHFFFAOYSA-N -2 0 319.386 1.955 20 0 DDADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cnc3ccccc3c2O)C1 ZINC000398997528 337313577 /nfs/dbraw/zinc/31/35/77/337313577.db2.gz KXZYFTRLWLOPOD-QWRGUYRKSA-N -2 0 314.341 1.711 20 0 DDADRL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C1CCC1 ZINC000399242442 337314530 /nfs/dbraw/zinc/31/45/30/337314530.db2.gz FGXYNIGCKPOOIW-SNVBAGLBSA-N -2 0 323.292 1.636 20 0 DDADRL CCc1ccccc1-n1cc([O-])c(C(=O)NC[C@@H](C)C(=O)[O-])n1 ZINC000656231837 484037134 /nfs/dbraw/zinc/03/71/34/484037134.db2.gz PNVBOUPHNWXVCZ-SNVBAGLBSA-N -2 0 317.345 1.591 20 0 DDADRL CO[C@@](C)(C(=O)[O-])C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000663025781 484608581 /nfs/dbraw/zinc/60/85/81/484608581.db2.gz KYPYLTAINLBPCT-MLGOLLRUSA-N -2 0 323.345 1.068 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)[C@@H](C(=O)[O-])C2CCCC2)c1 ZINC000663025498 484608602 /nfs/dbraw/zinc/60/86/02/484608602.db2.gz ICJIDKMDNOKRJR-ZDUSSCGKSA-N -2 0 305.330 1.892 20 0 DDADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2(C(=O)[O-])CCCCCC2)C1 ZINC000663056308 484632374 /nfs/dbraw/zinc/63/23/74/484632374.db2.gz MHXQFBVUCZHLKT-NWDGAFQWSA-N -2 0 311.378 1.981 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H](NC(=O)C2(C(=O)[O-])CCC2)c2ccccc21 ZINC000663117787 484682073 /nfs/dbraw/zinc/68/20/73/484682073.db2.gz BADFIPOQQNFOJW-VXGBXAGGSA-N -2 0 303.314 1.671 20 0 DDADRL O=C(c1c([O-])cc(F)cc1F)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000665490471 484886490 /nfs/dbraw/zinc/88/64/90/484886490.db2.gz DYTFYRKQYUIZNA-ZETCQYMHSA-N -2 0 324.287 1.514 20 0 DDADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424402121 534075901 /nfs/dbraw/zinc/07/59/01/534075901.db2.gz FTYFJMJKKGYMFK-VHSXEESVSA-N -2 0 300.355 1.240 20 0 DDADRL CCC(CC)(CNC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC000424430510 528667506 /nfs/dbraw/zinc/66/75/06/528667506.db2.gz MRZMMSPAOKLRLW-UHFFFAOYSA-N -2 0 300.355 1.384 20 0 DDADRL CCC(CC)(CNC(=O)N=c1nc2ccccn2[n-]1)C(=O)[O-] ZINC000424376927 528673228 /nfs/dbraw/zinc/67/32/28/528673228.db2.gz CPTZELXFOUTZRW-UHFFFAOYSA-N -2 0 305.338 1.164 20 0 DDADRL CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000314205943 599736050 /nfs/dbraw/zinc/73/60/50/599736050.db2.gz JQPJJKBNYUIKGU-UHFFFAOYSA-N -2 0 324.314 1.138 20 0 DDADRL CC1=C(C(=O)[O-])[C@@H](c2cccc(O[C@H](C)C(=O)[O-])c2)NC(=O)N1 ZINC000736751472 599987067 /nfs/dbraw/zinc/98/70/67/599987067.db2.gz QPKRNUBVQJAZBS-PRHODGIISA-N -2 0 320.301 1.251 20 0 DDADRL Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)nc1 ZINC000314260830 600101925 /nfs/dbraw/zinc/10/19/25/600101925.db2.gz SFVDXGGMGJGRCP-UHFFFAOYSA-N -2 0 322.342 1.654 20 0 DDADRL CCc1ccsc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000737273895 600460390 /nfs/dbraw/zinc/46/03/90/600460390.db2.gz CVQSZHCWMYVIQH-UHFFFAOYSA-N -2 0 305.377 1.235 20 0 DDADRL COC(=O)c1ccc(C(=O)[O-])c(NC(=O)CC(C)(C)C(=O)[O-])c1 ZINC000737684859 600639863 /nfs/dbraw/zinc/63/98/63/600639863.db2.gz MJAAKKPLWRBQJR-UHFFFAOYSA-N -2 0 323.301 1.611 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000828863068 601239974 /nfs/dbraw/zinc/23/99/74/601239974.db2.gz UUTYYIKCSFKRNL-VHSXEESVSA-N -2 0 305.396 1.512 20 0 DDADRL Cc1ncc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cn1 ZINC000384193129 601329841 /nfs/dbraw/zinc/32/98/41/601329841.db2.gz IBXCWRGNGNEVDW-QPJJXVBHSA-N -2 0 319.342 1.684 20 0 DDADRL O=C([O-])Cc1nc([N-]C(=O)c2c(F)c(F)cc(F)c2F)n[nH]1 ZINC000833269133 601452328 /nfs/dbraw/zinc/45/23/28/601452328.db2.gz BXKBTYWBAJOIOW-UHFFFAOYSA-N -2 0 318.186 1.241 20 0 DDADRL CSc1ccncc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000832790771 601577541 /nfs/dbraw/zinc/57/75/41/601577541.db2.gz SJUGGEMDQHNRIK-UHFFFAOYSA-N -2 0 313.360 1.631 20 0 DDADRL O=C([O-])[C@H]1COCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000823847267 601720900 /nfs/dbraw/zinc/72/09/00/601720900.db2.gz KMWRRGAZMMRDOP-SECBINFHSA-N -2 0 308.315 1.042 20 0 DDADRL COc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)c1 ZINC000832632671 601784806 /nfs/dbraw/zinc/78/48/06/601784806.db2.gz NIQXVUYYNCYTPX-UHFFFAOYSA-N -2 0 310.331 1.533 20 0 DDADRL CC(C)(CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)C(=O)[O-] ZINC000826602116 601818712 /nfs/dbraw/zinc/81/87/12/601818712.db2.gz ROIWBOJMRMLGHY-UHFFFAOYSA-N -2 0 321.358 1.465 20 0 DDADRL CSc1n[nH]c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000738150990 601847511 /nfs/dbraw/zinc/84/75/11/601847511.db2.gz PELGGZUOYOAWRS-UHFFFAOYSA-N -2 0 314.348 1.026 20 0 DDADRL CC[C@H](NC(=O)[O-])C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000739520200 602367465 /nfs/dbraw/zinc/36/74/65/602367465.db2.gz GRXOADMNHXUFOC-ZETCQYMHSA-N -2 0 324.362 1.402 20 0 DDADRL O=C([O-])CC1(CC(=O)NC[C@@H]2CCCN2C(=O)[O-])CCCC1 ZINC000740481034 602593907 /nfs/dbraw/zinc/59/39/07/602593907.db2.gz QHEJIPHTXQRGSC-NSHDSACASA-N -2 0 312.366 1.670 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H](CCC)NC(=O)[O-] ZINC000739302572 602728479 /nfs/dbraw/zinc/72/84/79/602728479.db2.gz RNMLPAZNDQNTLQ-UWVGGRQHSA-N -2 0 308.400 1.305 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=NC2CCC(NC(=O)[O-])CC2)cc1 ZINC000740105239 603083255 /nfs/dbraw/zinc/08/32/55/603083255.db2.gz IIKCOPUNGXINNB-UHFFFAOYSA-N -2 0 316.365 1.383 20 0 DDADRL CC(C)C[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000824210265 604124719 /nfs/dbraw/zinc/12/47/19/604124719.db2.gz DVHLXIXRPONGEL-SNVBAGLBSA-N -2 0 306.384 1.057 20 0 DDADRL Cc1cc(Cl)ccc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000832886872 604410811 /nfs/dbraw/zinc/41/08/11/604410811.db2.gz WHONBZCXGPALLC-UHFFFAOYSA-N -2 0 319.766 1.573 20 0 DDADRL O=C([O-])C[C@H]1CCCN1C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000833211295 604668247 /nfs/dbraw/zinc/66/82/47/604668247.db2.gz BOHZPBHZCMONOI-LLVKDONJSA-N -2 0 317.301 1.109 20 0 DDADRL CC1=C(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CCC1 ZINC000833575907 604880134 /nfs/dbraw/zinc/88/01/34/604880134.db2.gz PWQKYWCIPATPEM-UHFFFAOYSA-N -2 0 315.372 1.752 20 0 DDADRL CC(C)C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])s1)C(=O)[O-] ZINC000833491237 604881532 /nfs/dbraw/zinc/88/15/32/604881532.db2.gz OOJUVZGBHUYIST-ZETCQYMHSA-N -2 0 321.376 1.224 20 0 DDADRL CC1(C)CCC(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000828060223 604885112 /nfs/dbraw/zinc/88/51/12/604885112.db2.gz LUZPINBRWUOLML-UHFFFAOYSA-N -2 0 305.396 1.514 20 0 DDADRL CCCS(=O)(=O)[N-]C(=O)C[C@@H](C)C1CCN(C(=O)[O-])CC1 ZINC000826944986 605083558 /nfs/dbraw/zinc/08/35/58/605083558.db2.gz OVOXCKQXJSTRIE-SNVBAGLBSA-N -2 0 320.411 1.259 20 0 DDADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000833741405 605126402 /nfs/dbraw/zinc/12/64/02/605126402.db2.gz LPIAMJCDEHPRLO-UHFFFAOYSA-N -2 0 301.349 1.289 20 0 DDADRL O=C([O-])CCSCCNC(=O)c1cccc(Cl)c1[O-] ZINC000833774989 605249706 /nfs/dbraw/zinc/24/97/06/605249706.db2.gz QIHFVFKPFFGLIE-UHFFFAOYSA-N -2 0 303.767 1.983 20 0 DDADRL O=C([O-])N1CC[C@@H](C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000834078990 605424090 /nfs/dbraw/zinc/42/40/90/605424090.db2.gz YZUPOPSOSRNCFV-QMMMGPOBSA-N -2 0 320.317 1.243 20 0 DDADRL CC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833639033 605676743 /nfs/dbraw/zinc/67/67/43/605676743.db2.gz QQTQZCSDHWTMMH-YUMQZZPRSA-N -2 0 319.404 1.933 20 0 DDADRL O=C([O-])CCCNC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000834060503 606032883 /nfs/dbraw/zinc/03/28/83/606032883.db2.gz PYYSFYINRARRGG-QWRGUYRKSA-N -2 0 300.355 1.574 20 0 DDADRL Cc1oc(CN(C)C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)cc1C(=O)[O-] ZINC000833934325 606054940 /nfs/dbraw/zinc/05/49/40/606054940.db2.gz GJUKGJDKMIMXMG-VHSXEESVSA-N -2 0 324.333 1.681 20 0 DDADRL O=C([O-])[C@H](CNC(=O)CC1CN(C(=O)[O-])C1)Cc1ccccc1 ZINC000833987706 606058229 /nfs/dbraw/zinc/05/82/29/606058229.db2.gz JXYHLZIDLLNTNT-ZDUSSCGKSA-N -2 0 320.345 1.046 20 0 DDADRL O=C([O-])N[C@@H](CCC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000834138348 606112914 /nfs/dbraw/zinc/11/29/14/606112914.db2.gz UCIRUMJLZMGWSB-STQMWFEESA-N -2 0 320.345 1.709 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)C[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000834058812 606113516 /nfs/dbraw/zinc/11/35/16/606113516.db2.gz DRHFWETVEUUPIT-LBPRGKRZSA-N -2 0 312.366 1.622 20 0 DDADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cncnc1 ZINC000793407480 699754592 /nfs/dbraw/zinc/75/45/92/699754592.db2.gz ICLAVBLNDHGCBS-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccccc1Cl ZINC000739696149 699777648 /nfs/dbraw/zinc/77/76/48/699777648.db2.gz GOFHMLYVYXMNTB-UHFFFAOYSA-N -2 0 305.739 1.264 20 0 DDADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)C(F)F)c1OC ZINC000817420446 702378091 /nfs/dbraw/zinc/37/80/91/702378091.db2.gz UXBVVKQQTJIXGH-UHFFFAOYSA-N -2 0 311.262 1.366 20 0 DDADRL Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@]2(C(=O)[O-])CC2(C)C)c1 ZINC000863952974 706045054 /nfs/dbraw/zinc/04/50/54/706045054.db2.gz LASPORUOHYDLSW-CQSZACIVSA-N -2 0 311.359 1.301 20 0 DDADRL Cc1cc(C(=O)[O-])cc(C(=O)[N-]S(=O)(=O)CCC(C)C)c1 ZINC000863954521 706045731 /nfs/dbraw/zinc/04/57/31/706045731.db2.gz DZGPCIUVAHRMGK-UHFFFAOYSA-N -2 0 313.375 1.799 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccnc1 ZINC000871996469 707274414 /nfs/dbraw/zinc/27/44/14/707274414.db2.gz RBHKRIXIVJDGSD-XPUUQOCRSA-N -2 0 312.269 1.078 20 0 DDADRL CC(C)=CC[C@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000864449393 706172809 /nfs/dbraw/zinc/17/28/09/706172809.db2.gz JKIWODVJUVABDT-YUMQZZPRSA-N -2 0 303.302 1.666 20 0 DDADRL C[C@H](CN(C)C(=O)c1ccc2oc(=S)[n-]c2c1)c1nnn[n-]1 ZINC000832127242 706848550 /nfs/dbraw/zinc/84/85/50/706848550.db2.gz UUKVHLIYKXDVDM-SSDOTTSWSA-N -2 0 318.362 1.505 20 0 DDADRL C[C@@H](Cc1ccsc1)NS(=O)(=O)c1occc1C(=O)[O-] ZINC000871993924 707273098 /nfs/dbraw/zinc/27/30/98/707273098.db2.gz UMYLUDDHEAIFIG-QMMMGPOBSA-N -2 0 315.372 1.949 20 0 DDADRL O=C([O-])C1(O)CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000909282443 712981676 /nfs/dbraw/zinc/98/16/76/712981676.db2.gz IOUMKLNWPBYQOB-UHFFFAOYSA-N -2 0 317.700 1.236 20 0 DDADRL Cc1ccc(F)c(CC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910186639 709802638 /nfs/dbraw/zinc/80/26/38/709802638.db2.gz UAHLLSNMKBJILZ-ZWNOBZJWSA-N -2 0 323.320 1.453 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(F)ccc2F)C1 ZINC000910186607 709802719 /nfs/dbraw/zinc/80/27/19/709802719.db2.gz SITPOSXRWBVXRS-CPCISQLKSA-N -2 0 313.256 1.355 20 0 DDADRL CSc1ccccc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910191797 709805914 /nfs/dbraw/zinc/80/59/14/709805914.db2.gz MEOGVTZSUDUTSR-ONGXEEELSA-N -2 0 323.370 1.799 20 0 DDADRL COc1cc(C(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cc(OC)c1O ZINC000910256892 709842941 /nfs/dbraw/zinc/84/29/41/709842941.db2.gz UUBWRUUQVIHMJT-JDNHERCYSA-N -2 0 323.345 1.592 20 0 DDADRL CC[C@H](C)N(CC)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000907028040 712468707 /nfs/dbraw/zinc/46/87/07/712468707.db2.gz CXBFLYUINDLGAI-VIFPVBQESA-N -2 0 301.364 1.900 20 0 DDADRL C[C@H](C(=O)NCCOP(=O)([O-])[O-])c1ccccc1Cl ZINC001184480037 744052168 /nfs/dbraw/zinc/05/21/68/744052168.db2.gz ZDICJTPMHJRGBL-QMMMGPOBSA-N -2 0 307.670 1.669 20 0 DDADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198741633 747587099 /nfs/dbraw/zinc/58/70/99/747587099.db2.gz SCDMWTITUYERQC-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL Cc1nn(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000172818354 750969318 /nfs/dbraw/zinc/96/93/18/750969318.db2.gz NOKFXASXHVSOJQ-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL O=P([O-])([O-])OCCNc1ccc2c3c(ccnc13)CCO2 ZINC001168592758 751229913 /nfs/dbraw/zinc/22/99/13/751229913.db2.gz XJCLFIDDYGUHBU-UHFFFAOYSA-N -2 0 310.246 1.691 20 0 DDADRL COC(=O)c1c(F)c(NCCOP(=O)([O-])[O-])ccc1OC ZINC001168594884 751257905 /nfs/dbraw/zinc/25/79/05/751257905.db2.gz CUEVYEBSZLEIAK-UHFFFAOYSA-N -2 0 323.213 1.142 20 0 DDADRL C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1cccs1 ZINC000828470954 759662614 /nfs/dbraw/zinc/66/26/14/759662614.db2.gz ZQNUHZAMTVKQSR-GUBZILKMSA-N -2 0 311.359 1.628 20 0 DDADRL Cc1cc(C(F)(F)NCCOP(=O)([O-])[O-])cc(Cl)n1 ZINC001157786911 766638022 /nfs/dbraw/zinc/63/80/22/766638022.db2.gz DIXKEGCPOKUGQC-UHFFFAOYSA-N -2 0 316.628 1.792 20 0 DDADRL Nc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])s1 ZINC001174809009 777607300 /nfs/dbraw/zinc/60/73/00/777607300.db2.gz YHILRBBLQJGICB-UHFFFAOYSA-N -2 0 316.335 1.968 20 0 DDADRL COCCn1nccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238544 778088854 /nfs/dbraw/zinc/08/88/54/778088854.db2.gz IMQZZLHROMOEKR-UHFFFAOYSA-N -2 0 305.290 1.670 20 0 DDADRL CC(=O)c1nn(C)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176240168 778090178 /nfs/dbraw/zinc/09/01/78/778090178.db2.gz WHBOYBOPEPRLFI-UHFFFAOYSA-N -2 0 303.274 1.763 20 0 DDADRL Cc1cc(=O)c(N)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176240208 778091319 /nfs/dbraw/zinc/09/13/19/778091319.db2.gz YQYCZMXHSBXFHQ-UHFFFAOYSA-N -2 0 302.286 1.433 20 0 DDADRL O=C([O-])C(F)(F)C(F)(F)C(=O)NC[C@H]1Cc2ccccc2O1 ZINC001180176257 779634884 /nfs/dbraw/zinc/63/48/84/779634884.db2.gz SWUHTTZVGYWJMI-MRVPVSSYSA-N -2 0 321.226 1.462 20 0 DDADRL O=C([N-]OC1CCC1)c1cc(=O)cc(C(=O)[N-]OC2CCC2)o1 ZINC001328723961 863177302 /nfs/dbraw/zinc/17/73/02/863177302.db2.gz LABVVWDPVKHCSL-UHFFFAOYSA-N -2 0 322.317 1.068 20 0 DDADRL O=C(Nc1ccc2c([O-])[n-]c(=O)nc2c1)c1cccn2cnnc12 ZINC001152394277 863324726 /nfs/dbraw/zinc/32/47/26/863324726.db2.gz VTHZGUPKAUQPEH-UHFFFAOYSA-N -2 0 322.284 1.336 20 0 DDADRL O=C(Nc1cc(=O)[n-]c(Cl)n1)c1c[n-]c2cccnc2c1=O ZINC001153850985 864156359 /nfs/dbraw/zinc/15/63/59/864156359.db2.gz JFBLIEGXOKHSFY-UHFFFAOYSA-N -2 0 317.692 1.324 20 0 DDADRL Cc1cc(Cl)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1C ZINC001227123098 882851622 /nfs/dbraw/zinc/85/16/22/882851622.db2.gz QHOUXGBZACETSW-SECBINFHSA-N -2 0 324.653 1.332 20 0 DDADRL Cc1nocc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC001300167154 877055748 /nfs/dbraw/zinc/05/57/48/877055748.db2.gz WDLNFFQSNPAJMS-UHFFFAOYSA-N -2 0 301.262 1.293 20 0 DDADRL CC[C@@H](C)c1ccccc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001227762181 883161736 /nfs/dbraw/zinc/16/17/36/883161736.db2.gz ZROYCEREUPJZGO-MWLCHTKSSA-N -2 0 318.262 1.576 20 0 DDADRL Cc1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(C)c1C ZINC001234388924 887927898 /nfs/dbraw/zinc/92/78/98/887927898.db2.gz KXCHHWNYRYUSRA-DGCLKSJQSA-N -2 0 310.302 1.054 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc3c(nn2)OCCO3)c1 ZINC001242158909 891353708 /nfs/dbraw/zinc/35/37/08/891353708.db2.gz BVFRUZOFOXBTNT-UHFFFAOYSA-N -2 0 302.242 1.311 20 0 DDADRL O=c1ccn(-c2ccc([N-]S(=O)(=O)c3ccccn3)cc2)[n-]1 ZINC001259290211 898588291 /nfs/dbraw/zinc/58/82/91/898588291.db2.gz SYQNQECEGIJJEP-UHFFFAOYSA-N -2 0 316.342 1.774 20 0 DDADRL Cc1ncc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)nc1C ZINC001260392969 899134715 /nfs/dbraw/zinc/13/47/15/899134715.db2.gz WXTGPVBXNVFODI-UHFFFAOYSA-N -2 0 323.330 1.298 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(O)c1 ZINC000442838832 539530845 /nfs/dbraw/zinc/53/08/45/539530845.db2.gz UCYFMWBHTVZFLP-UHFFFAOYSA-N -2 0 312.303 1.228 20 0 DDADRL C[C@H]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C[C@@H]1C(=O)[O-] ZINC000564925801 304026943 /nfs/dbraw/zinc/02/69/43/304026943.db2.gz UFHGDDFGZRGKBM-UWVGGRQHSA-N -2 0 300.355 1.240 20 0 DDADRL O=C([O-])C1(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)CCC1 ZINC000166664193 354249738 /nfs/dbraw/zinc/24/97/38/354249738.db2.gz ZZCJVXYMCARFOB-UHFFFAOYSA-N -2 0 323.292 1.637 20 0 DDADRL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)NCC1CC1 ZINC000565420935 304067417 /nfs/dbraw/zinc/06/74/17/304067417.db2.gz QOEULVFFJCQYEY-UHFFFAOYSA-N -2 0 303.311 1.221 20 0 DDADRL O=C([O-])[C@@H]1CCCN(C(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000021812637 182292824 /nfs/dbraw/zinc/29/28/24/182292824.db2.gz YTKCEDBHSCOIGI-ZCFIWIBFSA-N -2 0 303.236 1.746 20 0 DDADRL CC(C)n1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000336845346 249251869 /nfs/dbraw/zinc/25/18/69/249251869.db2.gz AETLCZMOCJREQW-UHFFFAOYSA-N -2 0 309.347 1.963 20 0 DDADRL O=C([O-])C1(CN=c2[n-]c(C3CCOCC3)no2)CCCCC1 ZINC000567275563 304210188 /nfs/dbraw/zinc/21/01/88/304210188.db2.gz RLVCJHKVOYYFDP-UHFFFAOYSA-N -2 0 309.366 1.833 20 0 DDADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000352436450 285049710 /nfs/dbraw/zinc/04/97/10/285049710.db2.gz GHCGBRFPMQMHOR-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL O=C([O-])CCC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000263548201 408170359 /nfs/dbraw/zinc/17/03/59/408170359.db2.gz IRRYTUFRBOXBJH-UHFFFAOYSA-N -2 0 313.709 1.761 20 0 DDADRL O=C([O-])[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000165402906 408810790 /nfs/dbraw/zinc/81/07/90/408810790.db2.gz OMMUCTHELBUAJF-LLVKDONJSA-N -2 0 315.329 1.515 20 0 DDADRL C[C@H](CN(C)C(=O)c1cc(F)c([O-])c(Cl)c1)c1nnn[n-]1 ZINC000278834274 409098407 /nfs/dbraw/zinc/09/84/07/409098407.db2.gz VNLLBRVBKYPQDI-ZCFIWIBFSA-N -2 0 313.720 1.574 20 0 DDADRL Cc1c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cnn1C ZINC000314181488 164013307 /nfs/dbraw/zinc/01/33/07/164013307.db2.gz QBONMWUXXNDBHH-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL O=C([O-])c1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])nc1 ZINC000647730775 423018561 /nfs/dbraw/zinc/01/85/61/423018561.db2.gz PGEYFLSNIDVHFM-WQAKAFBOSA-N -2 0 318.329 1.638 20 0 DDADRL CN(CC(C)(C)C)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000548876831 421481684 /nfs/dbraw/zinc/48/16/84/421481684.db2.gz SFPXVQNZALEJQD-NXEZZACHSA-N -2 0 300.355 1.192 20 0 DDADRL C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1cc([O-])cc(F)c1 ZINC000630444363 422107444 /nfs/dbraw/zinc/10/74/44/422107444.db2.gz XUOOZYBEWIPFRA-BDAKNGLRSA-N -2 0 317.338 1.405 20 0 DDADRL O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000653280741 423416850 /nfs/dbraw/zinc/41/68/50/423416850.db2.gz HRDMLBXYURLZPI-NSHDSACASA-N -2 0 306.318 1.639 20 0 DDADRL O=C([O-])c1ccc(CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1 ZINC000653277884 423415186 /nfs/dbraw/zinc/41/51/86/423415186.db2.gz ZCYIIOXDZZNBGE-INIZCTEOSA-N -2 0 303.314 1.812 20 0 DDADRL O=C([O-])[C@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)CCO1 ZINC000647219546 423880356 /nfs/dbraw/zinc/88/03/56/423880356.db2.gz MFBRAMURQFJQSJ-SECBINFHSA-N -2 0 320.128 1.625 20 0 DDADRL CC(C)C[C@H](CNC(=O)NC[C@@H](C(=O)[O-])C(C)C)C(=O)[O-] ZINC000655879929 424690145 /nfs/dbraw/zinc/69/01/45/424690145.db2.gz STQHHXFZEZCFLY-GHMZBOCLSA-N -2 0 302.371 1.389 20 0 DDADRL C[C@@H]1CCN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)C[C@@H]1C(=O)[O-] ZINC000665316794 424781469 /nfs/dbraw/zinc/78/14/69/424781469.db2.gz NNFASLAYOROHIR-USWWRNFRSA-N -2 0 312.366 1.240 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000579548101 308538715 /nfs/dbraw/zinc/53/87/15/308538715.db2.gz IESRQGOIYLEURV-NXEZZACHSA-N -2 0 309.384 1.050 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)cn1C ZINC000507569013 484259230 /nfs/dbraw/zinc/25/92/30/484259230.db2.gz VQQVGMVWKWIJPY-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CC1CCC1)C(=O)[O-] ZINC000530367987 484295723 /nfs/dbraw/zinc/29/57/23/484295723.db2.gz FKYRJLHEABVULJ-POYBYMJQSA-N -2 0 303.302 1.500 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CC)n1 ZINC000319073721 484396381 /nfs/dbraw/zinc/39/63/81/484396381.db2.gz REFJPYFZSYKKQG-UHFFFAOYSA-N -2 0 323.374 1.964 20 0 DDADRL O=C([O-])COc1cccc(C(=O)NC2(C(=O)[O-])CCCC2)c1 ZINC000663021184 484605642 /nfs/dbraw/zinc/60/56/42/484605642.db2.gz LJBYAQMAFKIAJS-UHFFFAOYSA-N -2 0 307.302 1.277 20 0 DDADRL C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000663057267 484633359 /nfs/dbraw/zinc/63/33/59/484633359.db2.gz QWAIRYCLHCUCBS-JQWIXIFHSA-N -2 0 321.329 1.475 20 0 DDADRL CC[C@H](C(=O)[O-])N(C)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000663119816 484684026 /nfs/dbraw/zinc/68/40/26/484684026.db2.gz PHQQKKVEYROMBL-LLVKDONJSA-N -2 0 321.308 1.652 20 0 DDADRL O=C([O-])[C@@H](C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)C1CC1 ZINC000663132981 484693108 /nfs/dbraw/zinc/69/31/08/484693108.db2.gz NAVURYLNUXYFEL-QWHCGFSZSA-N -2 0 303.314 1.308 20 0 DDADRL O=C([O-])Cn1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)nn1 ZINC000494494708 534509005 /nfs/dbraw/zinc/50/90/05/534509005.db2.gz PZXOIHHHMOCDDD-AATRIKPKSA-N -2 0 324.296 1.780 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000818871078 597139980 /nfs/dbraw/zinc/13/99/80/597139980.db2.gz XKIPEAHGNSIBFZ-UHFFFAOYSA-N -2 0 309.329 1.703 20 0 DDADRL Cc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])cc(C)c1OCC(=O)[O-] ZINC000820954356 598201981 /nfs/dbraw/zinc/20/19/81/598201981.db2.gz YUCRMGPLZQBWOJ-LBPRGKRZSA-N -2 0 321.329 1.456 20 0 DDADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)n1 ZINC000739919690 599739436 /nfs/dbraw/zinc/73/94/36/599739436.db2.gz JOWRDDVCMQWRFB-UHFFFAOYSA-N -2 0 315.738 1.422 20 0 DDADRL CCCNC(=O)c1ccccc1[N-]S(=O)(=O)CCC(=O)[O-] ZINC000036133155 599873651 /nfs/dbraw/zinc/87/36/51/599873651.db2.gz NFCBLWNBVCXGLR-UHFFFAOYSA-N -2 0 314.363 1.043 20 0 DDADRL CCn1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000737312453 600054397 /nfs/dbraw/zinc/05/43/97/600054397.db2.gz PUTGOLROUYSJOP-UHFFFAOYSA-N -2 0 301.349 1.464 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cn1C ZINC000738868678 600302789 /nfs/dbraw/zinc/30/27/89/600302789.db2.gz MKYCRBYQQTYXIQ-UHFFFAOYSA-N -2 0 324.362 1.297 20 0 DDADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2ccccc2Cl)cn1 ZINC000038030445 600529282 /nfs/dbraw/zinc/52/92/82/600529282.db2.gz DOSRQJOSUAOJHL-UHFFFAOYSA-N -2 0 315.738 1.422 20 0 DDADRL O=C([O-])Cc1nc(NC(=O)c2cc(F)c(F)cc2Cl)n[nH]1 ZINC000739910828 600533188 /nfs/dbraw/zinc/53/31/88/600533188.db2.gz QZLSYSMUCPPLLZ-UHFFFAOYSA-N -2 0 316.651 1.616 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)CCC2CCC2)s1 ZINC000833096295 601142726 /nfs/dbraw/zinc/14/27/26/601142726.db2.gz DSGVZYAIHMAXPE-UHFFFAOYSA-N -2 0 317.388 1.832 20 0 DDADRL CC(C)(CC(=O)[O-])NC(=O)CSc1n[n-]c(=S)s1 ZINC000826534226 601289311 /nfs/dbraw/zinc/28/93/11/601289311.db2.gz XCLYQWRLZVKREG-UHFFFAOYSA-N -2 0 307.422 1.288 20 0 DDADRL CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)cc1 ZINC000825957111 601783456 /nfs/dbraw/zinc/78/34/56/601783456.db2.gz KZVNGIFWOXBRQO-UHFFFAOYSA-N -2 0 322.342 1.727 20 0 DDADRL C[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CC[C@H]1NC(=O)[O-] ZINC000739191842 602787995 /nfs/dbraw/zinc/78/79/95/602787995.db2.gz QPBOBXAROOEYLX-RKDXNWHRSA-N -2 0 322.390 1.875 20 0 DDADRL C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000825434423 604859023 /nfs/dbraw/zinc/85/90/23/604859023.db2.gz SDXQIRXMMHEXQZ-SSDOTTSWSA-N -2 0 320.309 1.161 20 0 DDADRL Cc1cccc(S(=O)(=O)N(C)CCCC(=O)[O-])c1C(=O)[O-] ZINC000833753309 604880096 /nfs/dbraw/zinc/88/00/96/604880096.db2.gz KRNOIVYRKCBRMI-UHFFFAOYSA-N -2 0 315.347 1.179 20 0 DDADRL CC(C)(CCC(=O)[O-])NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000833457294 604881497 /nfs/dbraw/zinc/88/14/97/604881497.db2.gz NCEHFNUJVRVPGU-UHFFFAOYSA-N -2 0 315.347 1.307 20 0 DDADRL COc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)ncn1 ZINC000833730179 604884858 /nfs/dbraw/zinc/88/48/58/604884858.db2.gz ZUJKGKFCXQCYCJ-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)o1 ZINC000833751194 605011673 /nfs/dbraw/zinc/01/16/73/605011673.db2.gz QXHOYHXPQLISBH-UHFFFAOYSA-N -2 0 302.333 1.852 20 0 DDADRL CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)c1 ZINC000316418072 605165812 /nfs/dbraw/zinc/16/58/12/605165812.db2.gz AEUDWGNRPGNROX-UHFFFAOYSA-N -2 0 320.326 1.783 20 0 DDADRL CCCN(C)S(=O)(=O)[N-]C(=O)c1cccc(NC(=O)[O-])c1 ZINC000826893730 605261880 /nfs/dbraw/zinc/26/18/80/605261880.db2.gz YSCYIQITDMRBNR-UHFFFAOYSA-N -2 0 315.351 1.093 20 0 DDADRL O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CCN(C(=O)[O-])C1)CC2 ZINC000834283770 605306169 /nfs/dbraw/zinc/30/61/69/605306169.db2.gz WXRLYRIIFNBRIQ-LBPRGKRZSA-N -2 0 318.329 1.269 20 0 DDADRL O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000834187750 605956251 /nfs/dbraw/zinc/95/62/51/605956251.db2.gz ZCTIJLFUHGSVHN-IUCAKERBSA-N -2 0 312.326 1.160 20 0 DDADRL O=C([O-])Cc1csc(NC(=O)[C@@H]2CCCN(C(=O)[O-])C2)n1 ZINC000834068210 606027609 /nfs/dbraw/zinc/02/76/09/606027609.db2.gz KWMMBSGBOWYXIJ-SSDOTTSWSA-N -2 0 313.335 1.099 20 0 DDADRL O=C([O-])c1ccc(CCNC(=O)[C@H]2CCCN2C(=O)[O-])cc1 ZINC000834283933 606032371 /nfs/dbraw/zinc/03/23/71/606032371.db2.gz ZGVRUKODSPMVIC-GFCCVEGCSA-N -2 0 306.318 1.186 20 0 DDADRL O=C([O-])C[C@@H](NC(=O)[C@H]1CCN(C(=O)[O-])C1)c1cccs1 ZINC000834061238 606034583 /nfs/dbraw/zinc/03/45/83/606034583.db2.gz RGRFVKKHVASBRF-DTWKUNHWSA-N -2 0 312.347 1.380 20 0 DDADRL O=C([O-])CN(Cc1ccccc1)C(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000834065589 606048190 /nfs/dbraw/zinc/04/81/90/606048190.db2.gz NFVYRYTZULNVNG-CYBMUJFWSA-N -2 0 320.345 1.632 20 0 DDADRL O=C([O-])/C=C/c1ccc(NC(=O)[C@H]2CSCN2C(=O)[O-])cc1 ZINC000834059898 606055130 /nfs/dbraw/zinc/05/51/30/606055130.db2.gz DAXRRCOCNHSDGH-ZXCPCRMDSA-N -2 0 322.342 1.776 20 0 DDADRL O=C([O-])[C@@H](CNC(=O)[C@H]1CCCCN1C(=O)[O-])c1ccccc1 ZINC000834057246 606065118 /nfs/dbraw/zinc/06/51/18/606065118.db2.gz CFPKOTCYGVBDIA-QWHCGFSZSA-N -2 0 320.345 1.504 20 0 DDADRL CCCCC[C@H](NC(=O)[C@@H]1CCCN(C(=O)[O-])C1)C(=O)[O-] ZINC000833852476 606067452 /nfs/dbraw/zinc/06/74/52/606067452.db2.gz DUPFRVZUQWHRFL-MNOVXSKESA-N -2 0 300.355 1.526 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]OCC(F)(F)F ZINC000789989325 699430569 /nfs/dbraw/zinc/43/05/69/699430569.db2.gz AYIBIOVRBZRCDE-YFKPBYRVSA-N -2 0 310.194 1.300 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1occc1COc1ccccc1 ZINC000816730859 702167632 /nfs/dbraw/zinc/16/76/32/702167632.db2.gz RZZNGZUQGZQSGX-UHFFFAOYSA-N -2 0 316.273 1.245 20 0 DDADRL CC(C)c1cc(C(=O)[N-]n2c(=O)[n-][nH]c2=O)nn1C(C)(C)C ZINC000816732866 702168478 /nfs/dbraw/zinc/16/84/78/702168478.db2.gz YVKZZIOLSSWXCX-UHFFFAOYSA-N -2 0 308.342 1.148 20 0 DDADRL O=C([O-])c1ccc(C(=O)Nc2cccc(-c3nn[nH]n3)c2)s1 ZINC000862491248 705722913 /nfs/dbraw/zinc/72/29/13/705722913.db2.gz IFLAIYLPAPBITG-UHFFFAOYSA-N -2 0 315.314 1.879 20 0 DDADRL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000863951691 706044637 /nfs/dbraw/zinc/04/46/37/706044637.db2.gz QTOVURWYOPAZQV-UHFFFAOYSA-N -2 0 305.739 1.256 20 0 DDADRL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000863952311 706045158 /nfs/dbraw/zinc/04/51/58/706045158.db2.gz RNZQUNIGEPKDTP-UHFFFAOYSA-N -2 0 311.768 1.317 20 0 DDADRL Cc1cccc(C)c1CS(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-] ZINC000863963592 706047426 /nfs/dbraw/zinc/04/74/26/706047426.db2.gz BLDOLABGLALDCK-UHFFFAOYSA-N -2 0 313.375 1.360 20 0 DDADRL O=C([N-]OC/C=C/Cl)C(F)(F)C(=O)[N-]OC/C=C\Cl ZINC000865998842 706589774 /nfs/dbraw/zinc/58/97/74/706589774.db2.gz CTLUFOMEUWFORJ-HSFFGMMNSA-N -2 0 319.091 1.222 20 0 DDADRL CCc1ccsc1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910189226 709803852 /nfs/dbraw/zinc/80/38/52/709803852.db2.gz REFYPLHHUIHXHY-NXEZZACHSA-N -2 0 311.359 1.701 20 0 DDADRL C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccccc1F ZINC000910191141 709804917 /nfs/dbraw/zinc/80/49/17/709804917.db2.gz XUTINSPUQOAWSV-OUJBWJOFSA-N -2 0 323.320 1.706 20 0 DDADRL C[C@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000921206856 713721335 /nfs/dbraw/zinc/72/13/35/713721335.db2.gz ORKYELRVHIIRNG-ZCFIWIBFSA-N -2 0 321.738 1.180 20 0 DDADRL O=C([O-])[C@@H](CCF)NS(=O)(=O)c1cscc1C(F)F ZINC000926486393 715075426 /nfs/dbraw/zinc/07/54/26/715075426.db2.gz QPWBWFJFIJLYIZ-ZCFIWIBFSA-N -2 0 317.310 1.777 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(CO)nc2)cc1C(=O)[O-] ZINC001184668425 744080645 /nfs/dbraw/zinc/08/06/45/744080645.db2.gz UKGMKDRXOPKEMQ-UHFFFAOYSA-N -2 0 322.342 1.381 20 0 DDADRL CCn1cc(NC(=O)c2ccccc2OP(=O)([O-])[O-])cn1 ZINC001189860595 745003441 /nfs/dbraw/zinc/00/34/41/745003441.db2.gz JYPWHNOFMLORBE-UHFFFAOYSA-N -2 0 311.234 1.627 20 0 DDADRL O=C(NCOc1ccccc1)c1ccccc1OP(=O)([O-])[O-] ZINC001189898379 745047837 /nfs/dbraw/zinc/04/78/37/745047837.db2.gz AZRRAGGTNVHXIK-UHFFFAOYSA-N -2 0 323.241 1.924 20 0 DDADRL O=C(NCCCC[P@](=O)([O-])O)c1ccnc(C(F)F)c1 ZINC001193657578 746167985 /nfs/dbraw/zinc/16/79/85/746167985.db2.gz XPUHZJPRYYSZMR-UHFFFAOYSA-N -2 0 308.221 1.707 20 0 DDADRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)o1 ZINC001195185154 746540519 /nfs/dbraw/zinc/54/05/19/746540519.db2.gz JPXDJVASCLEVEV-UHFFFAOYSA-N -2 0 318.257 1.760 20 0 DDADRL O=P([O-])([O-])OCCNC(=S)Nc1ccc(Cl)cc1 ZINC001197346388 747134154 /nfs/dbraw/zinc/13/41/54/747134154.db2.gz HNEXSKFYHOKYCT-UHFFFAOYSA-N -2 0 310.699 1.736 20 0 DDADRL CC(=O)c1cccc(O)c1[N-]S(=O)(=O)Cc1ccccn1 ZINC001197829072 747292564 /nfs/dbraw/zinc/29/25/64/747292564.db2.gz KIONDCFZPISYRH-UHFFFAOYSA-N -2 0 306.343 1.932 20 0 DDADRL Cc1ncc(S(=O)(=O)Nc2ncc(O)cc2Cl)n1C ZINC001198364402 747464682 /nfs/dbraw/zinc/46/46/82/747464682.db2.gz TVYZWPFVLFBQPO-UHFFFAOYSA-N -2 0 302.743 1.283 20 0 DDADRL CCC(=O)NCc1cccc(NCCOP(=O)([O-])[O-])c1 ZINC001168591238 751217600 /nfs/dbraw/zinc/21/76/00/751217600.db2.gz KTRQPYBHISCQAF-UHFFFAOYSA-N -2 0 302.267 1.234 20 0 DDADRL Cc1cc(O)cnc1NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148915556 773633487 /nfs/dbraw/zinc/63/34/87/773633487.db2.gz SSKYGFBPCGPJSG-UHFFFAOYSA-N -2 0 324.314 1.300 20 0 DDADRL Cc1ccc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])cc1O ZINC001148926936 773652258 /nfs/dbraw/zinc/65/22/58/773652258.db2.gz WFENHDPMJADADN-UHFFFAOYSA-N -2 0 323.326 1.905 20 0 DDADRL NC(=O)c1sccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237518 778089162 /nfs/dbraw/zinc/08/91/62/778089162.db2.gz WIZLOIHQPVJNBV-UHFFFAOYSA-N -2 0 306.299 1.987 20 0 DDADRL Nc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(CCO)c1 ZINC001176241898 778092428 /nfs/dbraw/zinc/09/24/28/778092428.db2.gz CXUSQVPWJOIZGG-UHFFFAOYSA-N -2 0 316.313 1.944 20 0 DDADRL CSc1nn(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(N)c1C#N ZINC000201371398 881388858 /nfs/dbraw/zinc/38/88/58/881388858.db2.gz ZWUQCAGKFHLJLN-UHFFFAOYSA-N -2 0 318.314 1.444 20 0 DDADRL Cc1ccc(C)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1C ZINC001225804025 882038604 /nfs/dbraw/zinc/03/86/04/882038604.db2.gz MIVVNMVBJANBOR-CMPLNLGQSA-N -2 0 310.302 1.054 20 0 DDADRL O=C(NC1(c2nnn[n-]2)CCC1)c1ccc2oc(=S)[n-]c2c1 ZINC001303222529 871111517 /nfs/dbraw/zinc/11/15/17/871111517.db2.gz SJNRCVBLGPQFKF-UHFFFAOYSA-N -2 0 316.346 1.439 20 0 DDADRL O=C([O-])c1ccc(-c2ccc3c(c2)C(=O)[N-]S3(=O)=O)cc1F ZINC001241185457 891130404 /nfs/dbraw/zinc/13/04/04/891130404.db2.gz QBVUSAOWUILTMB-UHFFFAOYSA-N -2 0 321.285 1.623 20 0 DDADRL O=C([O-])c1cc(F)cc(-c2ccc3c(c2)S(=O)(=O)[N-]C3=O)c1 ZINC001241833903 891278647 /nfs/dbraw/zinc/27/86/47/891278647.db2.gz JUQLABMPFANQGB-UHFFFAOYSA-N -2 0 321.285 1.623 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cnc3c(c2)OCCO3)c1 ZINC001242162525 891355585 /nfs/dbraw/zinc/35/55/85/891355585.db2.gz WPKPUDNQVXRDPF-UHFFFAOYSA-N -2 0 301.254 1.916 20 0 DDADRL O=S(=O)([O-])c1ccc([O-])c(-c2nnc([C@H]3CCOC3)o2)c1 ZINC001255517340 896982911 /nfs/dbraw/zinc/98/29/11/896982911.db2.gz KFOCKVMGPUUCFL-ZETCQYMHSA-N -2 0 312.303 1.193 20 0 DDADRL Cn1ncc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)n1 ZINC001260869545 899287434 /nfs/dbraw/zinc/28/74/34/899287434.db2.gz WZHVQCPNFPRFAF-UHFFFAOYSA-N -2 0 323.161 1.628 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c1 ZINC000092890021 185347936 /nfs/dbraw/zinc/34/79/36/185347936.db2.gz DYSOQNLXOUZIPA-UHFFFAOYSA-N -2 0 301.349 1.464 20 0 DDADRL C[C@@H](C(=O)[O-])N(C(=O)c1nn(-c2ccccc2)cc1[O-])C1CC1 ZINC000263545866 295797914 /nfs/dbraw/zinc/79/79/14/295797914.db2.gz GWVLCMJNAQFVJX-JTQLQIEISA-N -2 0 315.329 1.656 20 0 DDADRL O=C(NCc1n[nH]c(=O)[n-]1)c1c([O-])cc(Cl)cc1Cl ZINC000080035429 353588305 /nfs/dbraw/zinc/58/83/05/353588305.db2.gz BIWAHCXPWXUQAZ-UHFFFAOYSA-N -2 0 303.105 1.040 20 0 DDADRL COC(=O)Cc1c(C)[n-]n(-c2ccc(C(=O)[O-])cc2F)c1=O ZINC000601947093 358748651 /nfs/dbraw/zinc/74/86/51/358748651.db2.gz IYQOGQSFXAOHKN-SECBINFHSA-N -2 0 308.265 1.426 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)c[nH]1 ZINC000350730305 284250803 /nfs/dbraw/zinc/25/08/03/284250803.db2.gz RTYWBWWKDVZKCW-SECBINFHSA-N -2 0 323.374 1.782 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)no1 ZINC000021507601 182276135 /nfs/dbraw/zinc/27/61/35/182276135.db2.gz KUGHSRVMAOMDFC-UHFFFAOYSA-N -2 0 300.267 1.621 20 0 DDADRL COc1cncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1 ZINC000337188557 249381460 /nfs/dbraw/zinc/38/14/60/249381460.db2.gz QIHNIOULVBWDNI-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL Cc1cc(C(=O)Nc2nccs2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000172601182 162286210 /nfs/dbraw/zinc/28/62/10/162286210.db2.gz KOODYLBZINGKPR-UHFFFAOYSA-N -2 0 303.303 1.041 20 0 DDADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1)C(=O)[O-] ZINC000184658729 408663492 /nfs/dbraw/zinc/66/34/92/408663492.db2.gz FJEUKFORYLWHIC-SECBINFHSA-N -2 0 309.347 1.474 20 0 DDADRL COc1ncccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000320410565 164041855 /nfs/dbraw/zinc/04/18/55/164041855.db2.gz AYJNRGDORMKVFV-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C)nc1 ZINC000343261295 410285308 /nfs/dbraw/zinc/28/53/08/410285308.db2.gz QQSZSFXZWRQEPV-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL Cc1ncc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 ZINC000343262145 410289170 /nfs/dbraw/zinc/28/91/70/410289170.db2.gz WQKLMPHUUFMACE-UHFFFAOYSA-N -2 0 321.358 1.603 20 0 DDADRL CN(Cc1nc(=O)o[n-]1)C(=O)c1cc(O)cc(C(F)(F)F)c1 ZINC000640453652 422967261 /nfs/dbraw/zinc/96/72/61/422967261.db2.gz DITODLWWQGLPMJ-UHFFFAOYSA-N -2 0 317.223 1.360 20 0 DDADRL CCCCOc1ccc(C(=O)N=c2ncn(CC(=O)[O-])[n-]2)cc1 ZINC000647782701 423046604 /nfs/dbraw/zinc/04/66/04/423046604.db2.gz YOQKXCNORVQANH-UHFFFAOYSA-N -2 0 318.333 1.216 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=NC[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC000652535034 423056042 /nfs/dbraw/zinc/05/60/42/423056042.db2.gz XIPQSWWBWPHAMI-ZDUSSCGKSA-N -2 0 317.393 1.942 20 0 DDADRL CC(C)(C)CCCS(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000650392934 423146745 /nfs/dbraw/zinc/14/67/45/423146745.db2.gz RUQYFDHTNNALIV-SECBINFHSA-N -2 0 309.384 1.050 20 0 DDADRL C[C@@H](CC(=O)[O-])NC(=O)c1cc(C(=O)[O-])n(-c2ccccc2)n1 ZINC000436053471 229445276 /nfs/dbraw/zinc/44/52/76/229445276.db2.gz ODDGITCFHUMTAW-VIFPVBQESA-N -2 0 317.301 1.164 20 0 DDADRL O=C([O-])c1cccc(CN=c2[n-]c(C3CCOCC3)no2)c1 ZINC000514589314 421436391 /nfs/dbraw/zinc/43/63/91/421436391.db2.gz PPFUEVXLUWISGF-UHFFFAOYSA-N -2 0 303.318 1.696 20 0 DDADRL O=C([O-])C1([N-]S(=O)(=O)CC(F)(F)F)CCCCCC1 ZINC000563082389 421452646 /nfs/dbraw/zinc/45/26/46/421452646.db2.gz YJPJKPOETUDTNI-UHFFFAOYSA-N -2 0 303.302 1.646 20 0 DDADRL CO[C@H](C)c1nc(=NCCOc2ccc(C(=O)[O-])cc2)s[n-]1 ZINC000518192352 421642592 /nfs/dbraw/zinc/64/25/92/421642592.db2.gz FSYMNTOIVNVMNN-SECBINFHSA-N -2 0 323.374 1.857 20 0 DDADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(C)cc1C ZINC000580908224 421861375 /nfs/dbraw/zinc/86/13/75/421861375.db2.gz VMMYBPHSKCIIKD-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL C[C@@H]1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)C[C@H]1C(=O)[O-] ZINC000630444366 422107185 /nfs/dbraw/zinc/10/71/85/422107185.db2.gz DVWGAWHOPSJROH-PRHODGIISA-N -2 0 317.338 1.263 20 0 DDADRL CC[C@H](C)[C@H](NC(=O)c1cccc(OCC(=O)[O-])c1)C(=O)[O-] ZINC000656857908 423808034 /nfs/dbraw/zinc/80/80/34/423808034.db2.gz DWRQYKYLSXSYJS-ZANVPECISA-N -2 0 309.318 1.379 20 0 DDADRL CC(C)C[C@@H](NC(=O)c1cccc(OCC(=O)[O-])c1)C(=O)[O-] ZINC000656857931 423808698 /nfs/dbraw/zinc/80/86/98/423808698.db2.gz JITVWXLAUGMZDH-GFCCVEGCSA-N -2 0 309.318 1.379 20 0 DDADRL O=C([O-])COc1ccc(CCN=c2nc(C3CC3)[n-]s2)cc1 ZINC000514938929 302756419 /nfs/dbraw/zinc/75/64/19/302756419.db2.gz JRHAIPRSICZWAH-UHFFFAOYSA-N -2 0 319.386 1.955 20 0 DDADRL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)Cc2ccon2)c1F ZINC000548588116 307777766 /nfs/dbraw/zinc/77/77/66/307777766.db2.gz HUGHBKYSAMFPQM-UHFFFAOYSA-N -2 0 318.257 1.593 20 0 DDADRL O=C(Nc1cc(F)cc(Cl)c1[O-])c1n[nH]c(=O)[n-]c1=O ZINC000681201075 486370781 /nfs/dbraw/zinc/37/07/81/486370781.db2.gz RLHVYHFBLTYHQI-UHFFFAOYSA-N -2 0 300.633 1.033 20 0 DDADRL COCCN(CC(=O)[O-])C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000818539462 597265374 /nfs/dbraw/zinc/26/53/74/597265374.db2.gz MOUPUMJXKKWWSU-UHFFFAOYSA-N -2 0 305.689 1.358 20 0 DDADRL Cc1ccc(C(C)(C)C)cc1S([O-])=CC(=O)NCC(=O)[O-] ZINC000821070240 597738072 /nfs/dbraw/zinc/73/80/72/597738072.db2.gz SGXMOERWPVBTIH-NRFANRHFSA-N -2 0 311.403 1.601 20 0 DDADRL O=C([O-])NCCCC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000739957826 599798119 /nfs/dbraw/zinc/79/81/19/599798119.db2.gz ZXJQEDMHDQFLDF-UHFFFAOYSA-N -2 0 320.754 1.193 20 0 DDADRL CSC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000738188362 599983100 /nfs/dbraw/zinc/98/31/00/599983100.db2.gz IEGHORNBCOVLBZ-QMMMGPOBSA-N -2 0 317.388 1.189 20 0 DDADRL O=C([O-])CS(=O)(=O)[N-]C(=O)c1cc2c(cccc2F)s1 ZINC000739842958 600179668 /nfs/dbraw/zinc/17/96/68/600179668.db2.gz VRWNCNMJHJAUEK-UHFFFAOYSA-N -2 0 317.319 1.185 20 0 DDADRL C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)C(C)(C)C ZINC000736217140 600203231 /nfs/dbraw/zinc/20/32/31/600203231.db2.gz VJBIGQHBUIIKTC-SECBINFHSA-N -2 0 313.375 1.872 20 0 DDADRL CC(C)n1nccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000314185866 600243843 /nfs/dbraw/zinc/24/38/43/600243843.db2.gz FJEJXNXTNZCJFO-UHFFFAOYSA-N -2 0 323.374 1.892 20 0 DDADRL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)nc1 ZINC000737375430 600246773 /nfs/dbraw/zinc/24/67/73/600246773.db2.gz HOKNMJYRJGZUBL-UHFFFAOYSA-N -2 0 321.358 1.647 20 0 DDADRL CN(Cc1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1)C(=O)[O-] ZINC000737486756 600256317 /nfs/dbraw/zinc/25/63/17/600256317.db2.gz XBNUSOTXNFUMSK-UHFFFAOYSA-N -2 0 310.335 1.320 20 0 DDADRL CC1=C(C(=O)[O-])[C@@H](c2cccc(OCC(=O)[O-])c2)NC(=O)N1C ZINC000736751120 600625278 /nfs/dbraw/zinc/62/52/78/600625278.db2.gz PEEHJCOOYWSCTR-CYBMUJFWSA-N -2 0 320.301 1.205 20 0 DDADRL CC(C)c1cccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1 ZINC000736523489 601046766 /nfs/dbraw/zinc/04/67/66/601046766.db2.gz SIWMJKWTBKDNMH-UHFFFAOYSA-N -2 0 323.374 1.892 20 0 DDADRL O=C([O-])CC1(CS(=O)(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000833203573 601127590 /nfs/dbraw/zinc/12/75/90/601127590.db2.gz MHRUECSPJANMFI-UHFFFAOYSA-N -2 0 313.331 1.381 20 0 DDADRL O=C([O-])C1CCN(C(=O)CSc2n[n-]c(=S)s2)CC1 ZINC000819253212 601194900 /nfs/dbraw/zinc/19/49/00/601194900.db2.gz RPHQBBQMXYBPIF-UHFFFAOYSA-N -2 0 319.433 1.242 20 0 DDADRL O=C([O-])c1c(F)ccc(S(=O)(=O)N[C@@H]2CCSC2)c1F ZINC000231346397 601239065 /nfs/dbraw/zinc/23/90/65/601239065.db2.gz SNMLZEUJUKQNAL-ZCFIWIBFSA-N -2 0 323.342 1.447 20 0 DDADRL CC[C@](C)(CC(=O)[O-])NC(=O)CSc1n[n-]c(=S)s1 ZINC000828628774 601468490 /nfs/dbraw/zinc/46/84/90/601468490.db2.gz SGOKJBIPEXNPIU-SNVBAGLBSA-N -2 0 321.449 1.679 20 0 DDADRL O=C([O-])Nc1cccc(C(=O)[N-]S(=O)(=O)C2CCCC2)c1 ZINC000833291836 601599954 /nfs/dbraw/zinc/59/99/54/601599954.db2.gz VMEXHMVTXGACDH-UHFFFAOYSA-N -2 0 312.347 1.779 20 0 DDADRL CN(C(=O)[O-])[C@H]1CCCN(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC000739582554 602036232 /nfs/dbraw/zinc/03/62/32/602036232.db2.gz JRROCJFMOPLWMT-VIFPVBQESA-N -2 0 314.288 1.885 20 0 DDADRL Cc1oc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)cc1C(=O)[O-] ZINC000833029055 602319218 /nfs/dbraw/zinc/31/92/18/602319218.db2.gz AFYQUSJZCZMGSL-UHFFFAOYSA-N -2 0 322.302 1.358 20 0 DDADRL CC(C)(C)CS(=O)(=O)[N-]C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736260372 602748120 /nfs/dbraw/zinc/74/81/20/602748120.db2.gz AJTQIHDVZARWNC-UHFFFAOYSA-N -2 0 314.363 1.882 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000833255398 604765859 /nfs/dbraw/zinc/76/58/59/604765859.db2.gz FRVWUQHFYNRRAH-OLZOCXBDSA-N -2 0 319.313 1.756 20 0 DDADRL Cc1[n-]n(CC(C)C)c(=O)c1C(=O)Nc1ccccc1C(=O)[O-] ZINC000833584392 605037277 /nfs/dbraw/zinc/03/72/77/605037277.db2.gz QCLUDYJPXWGZAT-ZDUSSCGKSA-N -2 0 317.345 1.814 20 0 DDADRL C/C(=C\C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1)C(C)(C)C ZINC000823528074 605272742 /nfs/dbraw/zinc/27/27/42/605272742.db2.gz PLXWGUNNVMTSKT-TTZKWOQHSA-N -2 0 318.395 1.177 20 0 DDADRL O=C([O-])N[C@H](Cc1ccccc1)C(=O)[N-]OCc1cccnc1 ZINC000834148627 605665199 /nfs/dbraw/zinc/66/51/99/605665199.db2.gz ALWIFPLBVOJOIJ-CQSZACIVSA-N -2 0 315.329 1.508 20 0 DDADRL O=C([O-])N1CCc2ccc(OS(=O)(=O)c3cnc[n-]3)cc2C1 ZINC000834122694 605815043 /nfs/dbraw/zinc/81/50/43/605815043.db2.gz KIPNYGYBUGLXCX-UHFFFAOYSA-N -2 0 323.330 1.214 20 0 DDADRL CCN(CCC(=O)[O-])C(=O)[C@H]1c2ccccc2CCN1C(=O)[O-] ZINC000833856859 606046362 /nfs/dbraw/zinc/04/63/62/606046362.db2.gz ATKXLUKGXOZMFW-CQSZACIVSA-N -2 0 320.345 1.587 20 0 DDADRL O=C([O-])CC[C@H](NC(=O)[C@H]1CCN(C(=O)[O-])C1)c1ccccc1 ZINC000834059941 606050366 /nfs/dbraw/zinc/05/03/66/606050366.db2.gz MBUAYHDGQBYZAE-STQMWFEESA-N -2 0 320.345 1.709 20 0 DDADRL O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CC1CN(C(=O)[O-])C1 ZINC000834059769 606052293 /nfs/dbraw/zinc/05/22/93/606052293.db2.gz CDOGZPGQIMPBBP-CQSZACIVSA-N -2 0 318.329 1.197 20 0 DDADRL O=C([O-])NC1(CC(=O)NC[C@H](C(=O)[O-])c2ccccc2)CCC1 ZINC000834155942 606065909 /nfs/dbraw/zinc/06/59/09/606065909.db2.gz SRQSUVGMZRWMTF-LBPRGKRZSA-N -2 0 320.345 1.551 20 0 DDADRL CC(C)CS(=O)(=O)[N-]C(=O)CCC1CCN(C(=O)[O-])CC1 ZINC000833797308 606087267 /nfs/dbraw/zinc/08/72/67/606087267.db2.gz PJXVDBKBNOVSDC-UHFFFAOYSA-N -2 0 320.411 1.259 20 0 DDADRL CC[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000314169946 698687513 /nfs/dbraw/zinc/68/75/13/698687513.db2.gz KHOBIZKVTUICGS-ZETCQYMHSA-N -2 0 320.298 1.123 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1(CC(=O)[O-])CCC1 ZINC000846711602 703322696 /nfs/dbraw/zinc/32/26/96/703322696.db2.gz AVLZULDPRKWZTI-VIFPVBQESA-N -2 0 324.299 1.203 20 0 DDADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000863952825 706045049 /nfs/dbraw/zinc/04/50/49/706045049.db2.gz DWPTUUWBSOVONJ-UHFFFAOYSA-N -2 0 317.338 1.522 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000863953475 706045319 /nfs/dbraw/zinc/04/53/19/706045319.db2.gz PVEUJRIPXHRGJO-JTQLQIEISA-N -2 0 321.301 1.127 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])c(F)c1 ZINC000863956329 706046224 /nfs/dbraw/zinc/04/62/24/706046224.db2.gz IIIPACKVTPAHDY-UHFFFAOYSA-N -2 0 303.311 1.050 20 0 DDADRL CCC1(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CCCC2)CC1 ZINC000863963744 706047270 /nfs/dbraw/zinc/04/72/70/706047270.db2.gz GHUYGIHFSDVVFD-SNVBAGLBSA-N -2 0 303.380 1.266 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])cn1 ZINC000833682938 707013088 /nfs/dbraw/zinc/01/30/88/707013088.db2.gz DZBCQNJSZQZGCE-UHFFFAOYSA-N -2 0 301.349 1.464 20 0 DDADRL O=C([O-])[C@@]1(NC(=O)c2cc(F)c([O-])c(Cl)c2)CCOC1 ZINC000909379336 713004590 /nfs/dbraw/zinc/00/45/90/713004590.db2.gz YALGJTWBISTZTN-GFCCVEGCSA-N -2 0 303.673 1.158 20 0 DDADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]Oc1ccc(F)cc1 ZINC000898575340 708794234 /nfs/dbraw/zinc/79/42/34/708794234.db2.gz REHDHYVIQRDAJV-UHFFFAOYSA-N -2 0 308.231 1.693 20 0 DDADRL O=C([O-])C[C@]1(NC(=O)c2ccc([O-])c(Cl)c2)CCCOC1 ZINC000909695113 709582179 /nfs/dbraw/zinc/58/21/79/709582179.db2.gz WZRLLLHDGFSYHI-CQSZACIVSA-N -2 0 313.737 1.799 20 0 DDADRL C[C@@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000910183060 709801037 /nfs/dbraw/zinc/80/10/37/709801037.db2.gz KQRDGWZTSDWYEW-RAIGVLPGSA-N -2 0 305.330 1.567 20 0 DDADRL CSCC1(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])CC1 ZINC000910184641 709801671 /nfs/dbraw/zinc/80/16/71/709801671.db2.gz QWRXFPUYQALQRE-VHSXEESVSA-N -2 0 315.391 1.296 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CC2CCSCC2)C1 ZINC000910190609 709804769 /nfs/dbraw/zinc/80/47/69/709804769.db2.gz ALRSTGVKUMLTNA-QWRGUYRKSA-N -2 0 315.391 1.296 20 0 DDADRL Cc1cc(F)cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910191251 709805222 /nfs/dbraw/zinc/80/52/22/709805222.db2.gz ZFOJYZWZAUETRZ-CABZTGNLSA-N -2 0 309.293 1.524 20 0 DDADRL COc1ccccc1CO[N-]C(=O)[C@@H]1CC[C@H](CCC(=O)[O-])O1 ZINC000911804972 711002775 /nfs/dbraw/zinc/00/27/75/711002775.db2.gz JTGRJZQHISXXAJ-OCCSQVGLSA-N -2 0 323.345 1.655 20 0 DDADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)CC1(F)CC1 ZINC000905985618 712210193 /nfs/dbraw/zinc/21/01/93/712210193.db2.gz BIKMSRGRCWPNHR-UHFFFAOYSA-N -2 0 321.301 1.776 20 0 DDADRL CC(C)[C@H](CO)O[N-]C(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC000907850026 712635574 /nfs/dbraw/zinc/63/55/74/712635574.db2.gz JKAHRNKUBKROJO-HEHGZKQESA-N -2 0 307.346 1.310 20 0 DDADRL Cc1cnc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)nc1C ZINC001184654374 744078936 /nfs/dbraw/zinc/07/89/36/744078936.db2.gz YBOKZIQVPFLCBR-UHFFFAOYSA-N -2 0 321.358 1.901 20 0 DDADRL N#C[N-]C(=O)[C@@H](CC(=O)[O-])Sc1nc2ccccc2s1 ZINC001184737778 744094380 /nfs/dbraw/zinc/09/43/80/744094380.db2.gz IBAPWNGIKAOJAQ-SECBINFHSA-N -2 0 307.356 1.829 20 0 DDADRL CC(C)(O)CCCNC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189899151 745048429 /nfs/dbraw/zinc/04/84/29/745048429.db2.gz LFDLKZOHCQXOKI-UHFFFAOYSA-N -2 0 317.278 1.439 20 0 DDADRL CCOC(=O)c1cnc(NC(=O)c2c([O-])ccc(F)c2F)[n-]1 ZINC001192729418 745869963 /nfs/dbraw/zinc/86/99/63/745869963.db2.gz INMAVFSMWZEJPV-UHFFFAOYSA-N -2 0 311.244 1.823 20 0 DDADRL CCOC(=O)c1nn(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1N ZINC001176237658 778088929 /nfs/dbraw/zinc/08/89/29/778088929.db2.gz ZEXGMQMKWWRVDT-UHFFFAOYSA-N -2 0 319.273 1.028 20 0 DDADRL Cc1cc(NCCOP(=O)([O-])[O-])nc(-c2cccs2)n1 ZINC001157796166 864149345 /nfs/dbraw/zinc/14/93/45/864149345.db2.gz YTURXGGCBJLLER-UHFFFAOYSA-N -2 0 315.291 1.457 20 0 DDADRL Cc1ccc2c(c1)[C@H](Nc1ccc(P(=O)([O-])[O-])cc1)C(=O)N2 ZINC001162576039 867655129 /nfs/dbraw/zinc/65/51/29/867655129.db2.gz RTXAAXDJJPARNO-AWEZNQCLSA-N -2 0 318.269 1.903 20 0 DDADRL CC(C)c1ccccc1COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001223911668 881143678 /nfs/dbraw/zinc/14/36/78/881143678.db2.gz WWVNWMQRDUWFGE-GXTWGEPZSA-N -2 0 324.329 1.390 20 0 DDADRL O=C([O-])C[C@H](C(=O)Oc1ccc(C(F)F)cc1)[C@@H](O)C(=O)[O-] ZINC001229709340 884122199 /nfs/dbraw/zinc/12/21/99/884122199.db2.gz NDVAVYKPSZQOJA-WCBMZHEXSA-N -2 0 318.228 1.066 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)C(F)(F)c1ccc(Cl)cc1 ZINC001362656970 884338985 /nfs/dbraw/zinc/33/89/85/884338985.db2.gz QCUJEEMWFREQGZ-UHFFFAOYSA-N -2 0 304.640 1.205 20 0 DDADRL C[C@H](NC(=O)c1s[n-]c(=O)c1Cl)c1nn(C)cc1[O-] ZINC001365120249 890141491 /nfs/dbraw/zinc/14/14/91/890141491.db2.gz NVEQZNXQWHZILF-BYPYZUCNSA-N -2 0 302.743 1.432 20 0 DDADRL O=C([O-])c1cccc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)c1 ZINC001241358887 891151861 /nfs/dbraw/zinc/15/18/61/891151861.db2.gz OJLSUKPCJRNSLK-UHFFFAOYSA-N -2 0 318.310 1.876 20 0 DDADRL COc1ccc(CS(=O)(=O)[N-]c2ncc(F)cc2[O-])cc1 ZINC001259893110 898905719 /nfs/dbraw/zinc/90/57/19/898905719.db2.gz UVDJFFLPEXGOCN-UHFFFAOYSA-N -2 0 312.322 1.877 20 0 DDADRL COc1nc(C)cnc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184042 899076919 /nfs/dbraw/zinc/07/69/19/899076919.db2.gz OZSNLAKSVRGNAT-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cncc(CO)c2)cc1 ZINC001260222154 899096113 /nfs/dbraw/zinc/09/61/13/899096113.db2.gz OCEXACBCHAOJKQ-UHFFFAOYSA-N -2 0 308.315 1.073 20 0 DDADRL CC[C@H](C)C(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000055617579 352739768 /nfs/dbraw/zinc/73/97/68/352739768.db2.gz KEUSOIQUAFPSNI-QMMMGPOBSA-N -2 0 314.363 1.049 20 0 DDADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)CCCF)c1OC ZINC000275080057 212109464 /nfs/dbraw/zinc/10/94/64/212109464.db2.gz YKOUTEJOTXMDET-UHFFFAOYSA-N -2 0 321.326 1.503 20 0 DDADRL COc1cncc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1 ZINC000337146369 249365032 /nfs/dbraw/zinc/36/50/32/249365032.db2.gz YHXSDVIJRBPEPE-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c[nH]1 ZINC000338217760 249842757 /nfs/dbraw/zinc/84/27/57/249842757.db2.gz ZYAYCURSDDACCG-UHFFFAOYSA-N -2 0 316.722 1.873 20 0 DDADRL Cc1cc(C)c([N-]S(=O)(=O)c2cn(C)cn2)c(C(=O)[O-])c1 ZINC000061022369 184159718 /nfs/dbraw/zinc/15/97/18/184159718.db2.gz SYRSBZDAUQZYLS-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000568746790 304309145 /nfs/dbraw/zinc/30/91/45/304309145.db2.gz VXMDTCSNCFDGFP-KNVOCYPGSA-N -2 0 324.280 1.242 20 0 DDADRL CCn1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cn1 ZINC000035781115 406974014 /nfs/dbraw/zinc/97/40/14/406974014.db2.gz ZBXONNKELFMVOM-UHFFFAOYSA-N -2 0 315.376 1.772 20 0 DDADRL O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000029006775 406920786 /nfs/dbraw/zinc/92/07/86/406920786.db2.gz IJABJRBRUZXSIA-UWVGGRQHSA-N -2 0 306.274 1.906 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000037730504 406992684 /nfs/dbraw/zinc/99/26/84/406992684.db2.gz NNPZXMSHQQKDOT-UHFFFAOYSA-N -2 0 315.738 1.871 20 0 DDADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000271393341 407667823 /nfs/dbraw/zinc/66/78/23/407667823.db2.gz SFRCESWWJSKKTI-UHFFFAOYSA-N -2 0 323.374 1.410 20 0 DDADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCCCC(=O)[O-])n1 ZINC000262733067 407912083 /nfs/dbraw/zinc/91/20/83/407912083.db2.gz DVBZRFVAQLGSDP-UHFFFAOYSA-N -2 0 321.308 1.620 20 0 DDADRL Cn1nccc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000168975302 162182713 /nfs/dbraw/zinc/18/27/13/162182713.db2.gz OVSFTOOPZXMNSJ-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL C[C@@H](NS(C)(=O)=O)c1nc(-c2ccc(O)c(F)c2)no1 ZINC000278102982 409065955 /nfs/dbraw/zinc/06/59/55/409065955.db2.gz IGUYXLCRTBDKCV-ZCFIWIBFSA-N -2 0 301.299 1.192 20 0 DDADRL CC(=O)Nc1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000314401796 164014742 /nfs/dbraw/zinc/01/47/42/164014742.db2.gz USCQAYWUAPXADQ-UHFFFAOYSA-N -2 0 323.330 1.472 20 0 DDADRL COc1ncccc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000357014797 409793383 /nfs/dbraw/zinc/79/33/83/409793383.db2.gz KCWAOMLXUXCXBE-UHFFFAOYSA-N -2 0 322.342 1.518 20 0 DDADRL CC(C)C[C@@H](CNC(=O)N1CC[C@](C)(C(=O)[O-])C1)C(=O)[O-] ZINC000424430225 420317019 /nfs/dbraw/zinc/31/70/19/420317019.db2.gz MIJXNCZOSMKIGQ-HZMBPMFUSA-N -2 0 300.355 1.240 20 0 DDADRL CCC(CC)CS(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000548253121 421414406 /nfs/dbraw/zinc/41/44/06/421414406.db2.gz ZSWJWGWREBGMMA-ZDUSSCGKSA-N -2 0 321.395 1.004 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)C1 ZINC000647261265 423920343 /nfs/dbraw/zinc/92/03/43/423920343.db2.gz RNMAJQIBKLLJHP-MNOVXSKESA-N -2 0 317.301 1.013 20 0 DDADRL Cn1cn[n-]c1=NC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338867583 303012224 /nfs/dbraw/zinc/01/22/24/303012224.db2.gz ZJVGHAFXAXNSLR-UHFFFAOYSA-N -2 0 303.709 1.397 20 0 DDADRL O=C(Nc1n[nH]c(-c2c(F)cccc2F)n1)c1cnsn1 ZINC000363428996 307027835 /nfs/dbraw/zinc/02/78/35/307027835.db2.gz GBDRNJFOHOPHQA-UHFFFAOYSA-N -2 0 308.273 1.854 20 0 DDADRL C[C@@H]1CCC[C@H](CNS(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000573321624 308237543 /nfs/dbraw/zinc/23/75/43/308237543.db2.gz SVKZAJOGJYZJQZ-BDAKNGLRSA-N -2 0 318.420 1.946 20 0 DDADRL O=C(c1ccc([O-])c(Cl)c1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000573373502 308238626 /nfs/dbraw/zinc/23/86/26/308238626.db2.gz CQICQZPUQAJJBU-UHFFFAOYSA-N -2 0 322.752 1.889 20 0 DDADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1cccs1)C(F)(F)F ZINC000577209593 308370945 /nfs/dbraw/zinc/37/09/45/308370945.db2.gz MOWMRHLHOQLPFR-LURJTMIESA-N -2 0 317.310 1.680 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H](NC(=O)C2(C(=O)[O-])CC=CC2)c2ccccc21 ZINC000663121027 484685435 /nfs/dbraw/zinc/68/54/35/484685435.db2.gz WESNFBPLSNSFJQ-CHWSQXEVSA-N -2 0 315.325 1.837 20 0 DDADRL CCCc1nc(=NC(=O)NCCC(C)(C)C(=O)[O-])s[n-]1 ZINC000424392500 528688721 /nfs/dbraw/zinc/68/87/21/528688721.db2.gz UCVOOVKELSZSAS-UHFFFAOYSA-N -2 0 300.384 1.535 20 0 DDADRL CCOc1ccc(OCC)c([N-]S(=O)(=O)CCC(=O)[O-])c1 ZINC000020547696 599873699 /nfs/dbraw/zinc/87/36/99/599873699.db2.gz QXJNBQAGZNLRBN-UHFFFAOYSA-N -2 0 317.363 1.700 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnoc2)c(F)cc1F ZINC000740089911 600235987 /nfs/dbraw/zinc/23/59/87/600235987.db2.gz NLMKCRPVPGPYNT-UHFFFAOYSA-N -2 0 304.230 1.452 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCC1CCCCC1 ZINC000739690780 600460803 /nfs/dbraw/zinc/46/08/03/600460803.db2.gz BJUNQZQZEGZIRF-UHFFFAOYSA-N -2 0 305.396 1.658 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])cc1 ZINC000079701408 600513925 /nfs/dbraw/zinc/51/39/25/600513925.db2.gz MTRJKYSRKFFDCY-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL Cc1nn(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1C ZINC000832957696 600830729 /nfs/dbraw/zinc/83/07/29/600830729.db2.gz JAVIHOOYKOAYAC-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL CCn1nc(C)c(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c1C ZINC000830441140 600983619 /nfs/dbraw/zinc/98/36/19/600983619.db2.gz YOEYUAQVKMVDHE-UHFFFAOYSA-N -2 0 324.362 1.414 20 0 DDADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000833335568 600983820 /nfs/dbraw/zinc/98/38/20/600983820.db2.gz ZUUPVIZIWRIXCG-UHFFFAOYSA-N -2 0 320.326 1.611 20 0 DDADRL Cc1cc(C)c(NS(=O)(=O)C[C@H](C)C(=O)[O-])c(C(=O)[O-])c1 ZINC000832875549 601241338 /nfs/dbraw/zinc/24/13/38/601241338.db2.gz ZIQJBAPCESGUIU-VIFPVBQESA-N -2 0 315.347 1.464 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])cnn1C ZINC000832972877 601619274 /nfs/dbraw/zinc/61/92/74/601619274.db2.gz OMQOBODJVJYXNF-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL O=C([O-])CCCc1csc(NC(=O)c2ncccc2[O-])n1 ZINC000159986522 601801469 /nfs/dbraw/zinc/80/14/69/601801469.db2.gz GFKUYDNVHSRIHB-UHFFFAOYSA-N -2 0 307.331 1.903 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2cccc3nonc32)cc1C(=O)[O-] ZINC000833052578 602201862 /nfs/dbraw/zinc/20/18/62/602201862.db2.gz BFXYCRFBJIBUKZ-UHFFFAOYSA-N -2 0 322.302 1.060 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(F)cc1O ZINC000833344814 602202092 /nfs/dbraw/zinc/20/20/92/602202092.db2.gz CBKODDAWSVQRMQ-UHFFFAOYSA-N -2 0 318.307 1.487 20 0 DDADRL CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)CC(=O)[O-])c1 ZINC000830140257 602266446 /nfs/dbraw/zinc/26/64/46/602266446.db2.gz HTAUIDCKJKXHTM-MRVPVSSYSA-N -2 0 315.347 1.235 20 0 DDADRL CN(CC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1)C(=O)[O-] ZINC000739626298 602623044 /nfs/dbraw/zinc/62/30/44/602623044.db2.gz YCQWFSHINHIOPZ-UHFFFAOYSA-N -2 0 324.358 1.030 20 0 DDADRL CCC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000739320591 602669862 /nfs/dbraw/zinc/66/98/62/602669862.db2.gz PUWUDPJPMANSLX-NSHDSACASA-N -2 0 314.363 1.236 20 0 DDADRL O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])[N-]OCc1ccccc1 ZINC000740366920 602829989 /nfs/dbraw/zinc/82/99/89/602829989.db2.gz RGJUQEVHQWWNNN-ZDUSSCGKSA-N -2 0 308.334 1.393 20 0 DDADRL C[C@@H]1CN(C(=O)c2c([O-])cc(F)cc2F)C[C@H](C)N1C(=O)[O-] ZINC000739160398 602908808 /nfs/dbraw/zinc/90/88/08/602908808.db2.gz BREICLYBRGGKQB-OCAPTIKFSA-N -2 0 314.288 1.883 20 0 DDADRL C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000833408266 604880749 /nfs/dbraw/zinc/88/07/49/604880749.db2.gz RHEHFBHDSPYQSV-LURJTMIESA-N -2 0 321.738 1.132 20 0 DDADRL C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000833408434 604880859 /nfs/dbraw/zinc/88/08/59/604880859.db2.gz VGTFMMWZQYFKEV-ZCFIWIBFSA-N -2 0 321.738 1.132 20 0 DDADRL CCCS(=O)(=O)[N-]C(=O)C[C@H](C)C1CCN(C(=O)[O-])CC1 ZINC000826944985 605083275 /nfs/dbraw/zinc/08/32/75/605083275.db2.gz OVOXCKQXJSTRIE-JTQLQIEISA-N -2 0 320.411 1.259 20 0 DDADRL CC(C)C[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000824211606 605091280 /nfs/dbraw/zinc/09/12/80/605091280.db2.gz RBGXVQTVFBCOGY-VIFPVBQESA-N -2 0 320.392 1.235 20 0 DDADRL C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)[N-]OCC(F)(F)F ZINC000826116387 605138194 /nfs/dbraw/zinc/13/81/94/605138194.db2.gz SDXRWOCVRRLNFG-WDSKDSINSA-N -2 0 300.233 1.100 20 0 DDADRL CCCCCCC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000826819448 605277331 /nfs/dbraw/zinc/27/73/31/605277331.db2.gz CKHVVHMYYRZKBK-JTQLQIEISA-N -2 0 306.384 1.155 20 0 DDADRL Cc1cc([N-]C(=O)c2nc(C[C@@H](C)N(C)C(=O)[O-])no2)no1 ZINC000830116725 605318905 /nfs/dbraw/zinc/31/89/05/605318905.db2.gz MGOPYTRAOMOXNQ-ZCFIWIBFSA-N -2 0 309.282 1.159 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000834064532 605689416 /nfs/dbraw/zinc/68/94/16/605689416.db2.gz AVZKCPUZCVRRIA-ONGXEEELSA-N -2 0 322.317 1.525 20 0 DDADRL O=C([O-])N[C@@H]1CCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000832375290 605763829 /nfs/dbraw/zinc/76/38/29/605763829.db2.gz FIZKCGYGMVUQTJ-SSDOTTSWSA-N -2 0 302.689 1.667 20 0 DDADRL O=C([O-])c1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)[O-])cc1 ZINC000834283168 606028386 /nfs/dbraw/zinc/02/83/86/606028386.db2.gz KKJKPTXFOUUAPT-LBPRGKRZSA-N -2 0 306.318 1.534 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000834059719 606030745 /nfs/dbraw/zinc/03/07/45/606030745.db2.gz UHEAPBWHGQJCTE-LOWDOPEQSA-N -2 0 324.377 1.621 20 0 DDADRL O=C([O-])[C@@H]1CC12CCN(C(=O)CC1CCN(C(=O)[O-])CC1)CC2 ZINC000834058332 606033928 /nfs/dbraw/zinc/03/39/28/606033928.db2.gz MDSAOBYSIOSJJJ-LBPRGKRZSA-N -2 0 324.377 1.480 20 0 DDADRL O=C([O-])CN(Cc1ccccc1)C(=O)CC1(NC(=O)[O-])CCC1 ZINC000834065404 606048345 /nfs/dbraw/zinc/04/83/45/606048345.db2.gz LYHLBNYRWZFFQV-UHFFFAOYSA-N -2 0 320.345 1.680 20 0 DDADRL O=C([O-])CCCCCCNC(=O)C1CCN(C(=O)[O-])CC1 ZINC000834058383 606056276 /nfs/dbraw/zinc/05/62/76/606056276.db2.gz CHEDXKGWDOAVKP-UHFFFAOYSA-N -2 0 300.355 1.528 20 0 DDADRL O=C([O-])c1cc(NC(=O)[C@H]2CSCN2C(=O)[O-])ccc1F ZINC000834282441 606056508 /nfs/dbraw/zinc/05/65/08/606056508.db2.gz AIJZYVSINIRYSA-SECBINFHSA-N -2 0 314.294 1.515 20 0 DDADRL O=C([O-])N[C@H](C(=O)N1CC[C@@](F)(C(=O)[O-])C1)c1ccccc1 ZINC000834251137 606065657 /nfs/dbraw/zinc/06/56/57/606065657.db2.gz CPFKSFWCANAVDA-HZMBPMFUSA-N -2 0 310.281 1.021 20 0 DDADRL CCCCC[C@H](NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)C(=O)[O-] ZINC000833852679 606067295 /nfs/dbraw/zinc/06/72/95/606067295.db2.gz INTFBKDMVPWJDV-DCAQKATOSA-N -2 0 300.355 1.572 20 0 DDADRL O=C([O-])Nc1ccccc1CC(=O)[N-]S(=O)(=O)CCCF ZINC000834272012 606093847 /nfs/dbraw/zinc/09/38/47/606093847.db2.gz JJDBEKIBPHSICZ-UHFFFAOYSA-N -2 0 318.326 1.125 20 0 DDADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000075081576 696419037 /nfs/dbraw/zinc/41/90/37/696419037.db2.gz CNLUCMIIKYLFKU-UHFFFAOYSA-N -2 0 314.294 1.930 20 0 DDADRL CC(C)(C)c1nc(=NC(=O)c2cc3c(cc2[O-])OCO3)s[n-]1 ZINC000436567778 699164623 /nfs/dbraw/zinc/16/46/23/699164623.db2.gz PAMAPOIDGCUONW-UHFFFAOYSA-N -2 0 321.358 1.944 20 0 DDADRL Cc1cc(S(=O)(=O)N(C)CC(=O)[O-])cc(C(=O)[O-])c1Cl ZINC000771507341 701321969 /nfs/dbraw/zinc/32/19/69/701321969.db2.gz AQNGNMHFWIYTJC-UHFFFAOYSA-N -2 0 321.738 1.052 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])c(C)s1 ZINC000863954116 706045382 /nfs/dbraw/zinc/04/53/82/706045382.db2.gz NGEWRALSMBAEHY-UHFFFAOYSA-N -2 0 319.404 1.815 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)C2CCCCC2)C1 ZINC000863954232 706045461 /nfs/dbraw/zinc/04/54/61/706045461.db2.gz SCNWROXHZJYJOS-VHSXEESVSA-N -2 0 303.380 1.266 20 0 DDADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000863954299 706045573 /nfs/dbraw/zinc/04/55/73/706045573.db2.gz VKIBIFUDCDFWJF-CYBMUJFWSA-N -2 0 303.380 1.266 20 0 DDADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000863956975 706046084 /nfs/dbraw/zinc/04/60/84/706046084.db2.gz WKODGWZAGUNOMO-QMMMGPOBSA-N -2 0 305.377 1.300 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)C2Cc3ccccc3C2)C1 ZINC000910181866 709800268 /nfs/dbraw/zinc/80/02/68/709800268.db2.gz DNYJMOJUYAPJRZ-OCCSQVGLSA-N -2 0 317.341 1.178 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)/C=C/c2ccccc2F)C1 ZINC000910182990 709801159 /nfs/dbraw/zinc/80/11/59/709801159.db2.gz KSGZCFLBFPAZFQ-FXSSULRXSA-N -2 0 321.304 1.615 20 0 DDADRL Cc1ccc(F)c(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910186637 709802358 /nfs/dbraw/zinc/80/23/58/709802358.db2.gz UAHLLSNMKBJILZ-GXFFZTMASA-N -2 0 323.320 1.453 20 0 DDADRL C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000901658640 710111553 /nfs/dbraw/zinc/11/15/53/710111553.db2.gz VSEJRAYQMSOTNH-JQWIXIFHSA-N -2 0 305.330 1.639 20 0 DDADRL C[C@H]1CN(C(=O)C2(C(=O)[O-])CCSCC2)CC[C@@H]1C(=O)[O-] ZINC000902178941 710650386 /nfs/dbraw/zinc/65/03/86/710650386.db2.gz NGWAACXJLXPBTQ-UWVGGRQHSA-N -2 0 315.391 1.154 20 0 DDADRL C[C@@H](C(=O)[O-])C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC000902822547 710916798 /nfs/dbraw/zinc/91/67/98/710916798.db2.gz XMDHKBDWHQZHGO-GHMZBOCLSA-N -2 0 305.330 1.777 20 0 DDADRL CC(C)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC000906886630 712428181 /nfs/dbraw/zinc/42/81/81/712428181.db2.gz PIJSPJQSENEAGM-LLVKDONJSA-N -2 0 313.375 1.757 20 0 DDADRL C[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C[C@H]1F ZINC000906921031 712439409 /nfs/dbraw/zinc/43/94/09/712439409.db2.gz UBTFBOHAXOSOKD-WCBMZHEXSA-N -2 0 317.338 1.459 20 0 DDADRL C[C@H](C(=O)NCCCC[P@@](=O)([O-])O)c1ccc(O)cc1 ZINC001184283133 744015510 /nfs/dbraw/zinc/01/55/10/744015510.db2.gz BZSSCZWGKYMITD-JTQLQIEISA-N -2 0 301.279 1.570 20 0 DDADRL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n1 ZINC001184664289 744080414 /nfs/dbraw/zinc/08/04/14/744080414.db2.gz QDMJSYBZNZQADX-UHFFFAOYSA-N -2 0 322.342 1.903 20 0 DDADRL CC(C)(CC1CCOCC1)C(=O)NCCOP(=O)([O-])[O-] ZINC001185324727 744207333 /nfs/dbraw/zinc/20/73/33/744207333.db2.gz ACBIPFMCJOIAGX-UHFFFAOYSA-N -2 0 309.299 1.055 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncccc1CO ZINC001185877573 744306975 /nfs/dbraw/zinc/30/69/75/744306975.db2.gz NUUCOUOVSBSKLA-UHFFFAOYSA-N -2 0 322.342 1.381 20 0 DDADRL CCOC(=O)c1n[n-]sc1=NC(=S)N=C([O-])OCC ZINC001195459083 746606107 /nfs/dbraw/zinc/60/61/07/746606107.db2.gz ZDZAMUXTSUIPRO-UHFFFAOYSA-N -2 0 304.353 1.158 20 0 DDADRL CSc1cccc(C(=O)NCCOP(=O)([O-])[O-])c1F ZINC001197113361 747070576 /nfs/dbraw/zinc/07/05/76/747070576.db2.gz NVTLZEWIVPXLQO-UHFFFAOYSA-N -2 0 309.255 1.387 20 0 DDADRL O=C1c2cc(NCCOP(=O)([O-])[O-])ccc2CN1C1CC1 ZINC001168592593 751228156 /nfs/dbraw/zinc/22/81/56/751228156.db2.gz VGXZBDBTWJZEAS-UHFFFAOYSA-N -2 0 312.262 1.326 20 0 DDADRL CCOC(=O)c1ccc(C)cc1NCCOP(=O)([O-])[O-] ZINC001168592714 751228538 /nfs/dbraw/zinc/22/85/38/751228538.db2.gz WTFIVWINMKVDAB-UHFFFAOYSA-N -2 0 303.251 1.693 20 0 DDADRL O=P([O-])([O-])OCCNc1cnc(OCC2CCC2)cn1 ZINC001168596712 751272704 /nfs/dbraw/zinc/27/27/04/751272704.db2.gz YIZRBAIVBYXAQA-UHFFFAOYSA-N -2 0 303.255 1.177 20 0 DDADRL O=C([O-])c1nnc(NCc2ncccc2O)cc1C(F)(F)F ZINC001169731328 762638526 /nfs/dbraw/zinc/63/85/26/762638526.db2.gz OHPVMQPGFMEDCC-UHFFFAOYSA-N -2 0 314.223 1.906 20 0 DDADRL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-]Cc1ccc(O)cc1F ZINC001180176961 779636554 /nfs/dbraw/zinc/63/65/54/779636554.db2.gz UHMGQIVKAGRPIK-UHFFFAOYSA-N -2 0 313.178 1.503 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cc2c(s1)CCCC2 ZINC001150815527 862476661 /nfs/dbraw/zinc/47/66/61/862476661.db2.gz QFCMZYRDSIJJLD-UHFFFAOYSA-N -2 0 305.292 1.466 20 0 DDADRL Cc1ccc(Cl)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1 ZINC001225207580 881725527 /nfs/dbraw/zinc/72/55/27/881725527.db2.gz TXIRQQLNDBSXHM-MRVPVSSYSA-N -2 0 310.626 1.024 20 0 DDADRL Cc1ccc(Cl)nc1C(F)(F)NCCOP(=O)([O-])[O-] ZINC001157792256 864145991 /nfs/dbraw/zinc/14/59/91/864145991.db2.gz ZJFCIHUNDREZEB-UHFFFAOYSA-N -2 0 316.628 1.792 20 0 DDADRL O=C([O-])C[C@@H](C(=O)OCCCCc1ccccc1)[C@H](O)C(=O)[O-] ZINC001209833638 875139438 /nfs/dbraw/zinc/13/94/38/875139438.db2.gz ROGSGOZSHLPAJH-OCCSQVGLSA-N -2 0 324.329 1.089 20 0 DDADRL CC(C)c1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001222118041 880268216 /nfs/dbraw/zinc/26/82/16/880268216.db2.gz RSLIUKXIJSXLMF-JSGCOSHPSA-N -2 0 324.329 1.390 20 0 DDADRL Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(C(C)C)c1 ZINC001229126282 883837733 /nfs/dbraw/zinc/83/77/33/883837733.db2.gz VHTPPKWDTWKCDZ-RISCZKNCSA-N -2 0 324.329 1.560 20 0 DDADRL O=C([N-]N1CCCC1=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001362534350 884025616 /nfs/dbraw/zinc/02/56/16/884025616.db2.gz YJSUICPBSQXTQM-UHFFFAOYSA-N -2 0 320.736 1.499 20 0 DDADRL C[C@@H](O)CCCC(=O)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234332738 887873263 /nfs/dbraw/zinc/87/32/63/887873263.db2.gz RHMKODQXYQZHEO-SECBINFHSA-N -2 0 304.235 1.615 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc(S(=O)(=O)[O-])n2)c1 ZINC001242159079 891354336 /nfs/dbraw/zinc/35/43/36/891354336.db2.gz FRDDRMGWIWBXQD-UHFFFAOYSA-N -3 0 323.282 1.392 20 0 DDADRL CCOC(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nn1 ZINC001242159341 891354527 /nfs/dbraw/zinc/35/45/27/891354527.db2.gz IFVYJGQOTFYDOS-UHFFFAOYSA-N -2 0 316.269 1.717 20 0 DDADRL NC(=O)Cc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001242162904 891356494 /nfs/dbraw/zinc/35/64/94/891356494.db2.gz MMTLXXGJNHRQDB-UHFFFAOYSA-N -2 0 300.270 1.173 20 0 DDADRL CCOC(=O)[C@H](C)n1cc(-c2ccc(P(=O)([O-])[O-])cc2)cn1 ZINC001245334456 892090874 /nfs/dbraw/zinc/09/08/74/892090874.db2.gz PYNZDFWAJXNOFF-JTQLQIEISA-N -2 0 324.273 1.477 20 0 DDADRL O=C([O-])COCCN=c1[n-]nc(Cc2ccc(F)cc2)s1 ZINC000634965076 422736395 /nfs/dbraw/zinc/73/63/95/422736395.db2.gz ZDDNAEMKTVVGBC-UHFFFAOYSA-N -2 0 311.338 1.203 20 0 DDADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccn1 ZINC000021019599 182261516 /nfs/dbraw/zinc/26/15/16/182261516.db2.gz ZUIWVPIUPCZYAG-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL COc1cncc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1 ZINC000337167642 249373528 /nfs/dbraw/zinc/37/35/28/249373528.db2.gz CNEKFSJHSAPUDZ-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 ZINC000032630747 406950635 /nfs/dbraw/zinc/95/06/35/406950635.db2.gz FWPGLLGRYBJYHX-UHFFFAOYSA-N -2 0 309.347 1.238 20 0 DDADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1 ZINC000125482029 407390108 /nfs/dbraw/zinc/39/01/08/407390108.db2.gz WUBSILSVDUGNMC-VIFPVBQESA-N -2 0 309.347 1.789 20 0 DDADRL CC[C@@](C)(CNS(=O)(=O)c1cncc(Cl)c1)C(=O)[O-] ZINC000274953882 408573528 /nfs/dbraw/zinc/57/35/28/408573528.db2.gz IIYUQPZOFXPJTI-NSHDSACASA-N -2 0 306.771 1.514 20 0 DDADRL NC(=O)Nc1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000315392366 409839597 /nfs/dbraw/zinc/83/95/97/409839597.db2.gz FQFBVQBIMHABJE-UHFFFAOYSA-N -2 0 324.318 1.004 20 0 DDADRL Fc1cccc(N=c2[n-]nc(SCc3nnn[n-]3)s2)c1 ZINC000353179562 410832646 /nfs/dbraw/zinc/83/26/46/410832646.db2.gz CONCMKBIRUSKDJ-UHFFFAOYSA-N -2 0 309.355 1.648 20 0 DDADRL CC(C)Oc1ccc(=NC(=O)N2CCC(C)(C(=O)[O-])CC2)[n-]n1 ZINC000647699984 423003868 /nfs/dbraw/zinc/00/38/68/423003868.db2.gz NQYQENJPBXYOHG-UHFFFAOYSA-N -2 0 322.365 1.404 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(C2CC2)n1 ZINC000291103988 222138313 /nfs/dbraw/zinc/13/83/13/222138313.db2.gz LZBNRJCADBXLEC-UHFFFAOYSA-N -2 0 310.335 1.125 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)nn1C ZINC000383473957 418733560 /nfs/dbraw/zinc/73/35/60/418733560.db2.gz AETVNTNMVCOIEY-UHFFFAOYSA-N -2 0 315.376 1.597 20 0 DDADRL N=c1[n-]nc(CCNC(=O)c2c([O-])cc(Cl)cc2Cl)o1 ZINC000436640164 229504333 /nfs/dbraw/zinc/50/43/33/229504333.db2.gz GWRAZXAXBMWAEI-UHFFFAOYSA-N -2 0 317.132 1.467 20 0 DDADRL O=C([O-])c1ccc(F)cc1[N-]S(=O)(=O)Cc1ccon1 ZINC000548525976 421448436 /nfs/dbraw/zinc/44/84/36/421448436.db2.gz SXUMQDLNZVFQEJ-UHFFFAOYSA-N -2 0 300.267 1.454 20 0 DDADRL Cc1n[n-]c(=NC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)s1 ZINC000516530031 421550920 /nfs/dbraw/zinc/55/09/20/421550920.db2.gz DRZXHYHBBJFHEP-JTQLQIEISA-N -2 0 306.347 1.558 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653326800 423442417 /nfs/dbraw/zinc/44/24/17/423442417.db2.gz LELYPQWMJDUJCV-AVGNSLFASA-N -2 0 305.330 1.773 20 0 DDADRL C[C@@H](CC(=O)[O-])n1cc(-c2cc(C(=O)[O-])ccc2CO)cn1 ZINC000657207028 424213945 /nfs/dbraw/zinc/21/39/45/424213945.db2.gz JKHPUEMQNKJMHF-VIFPVBQESA-N -2 0 304.302 1.776 20 0 DDADRL CC(C)C[C@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)C(=O)[O-] ZINC000659761872 424229917 /nfs/dbraw/zinc/22/99/17/424229917.db2.gz KGHSAJIKMRERIN-LBPRGKRZSA-N -2 0 309.318 1.379 20 0 DDADRL CCn1nccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000345942253 272371281 /nfs/dbraw/zinc/37/12/81/272371281.db2.gz IFAXZRAXULIFLA-UHFFFAOYSA-N -2 0 314.305 1.213 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCC(C)(C)C1 ZINC000560421959 303811350 /nfs/dbraw/zinc/81/13/50/303811350.db2.gz UUXSCDQBCWVWSA-XCBNKYQSSA-N -2 0 317.329 1.890 20 0 DDADRL Cc1n[n-]c(=NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)s1 ZINC000582778800 337155285 /nfs/dbraw/zinc/15/52/85/337155285.db2.gz HWQGZIFDGMXBLJ-LLVKDONJSA-N -2 0 320.374 1.833 20 0 DDADRL C[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655900407 483992543 /nfs/dbraw/zinc/99/25/43/483992543.db2.gz SLGGJCOJFLVWFB-CHWFTXMASA-N -2 0 312.366 1.238 20 0 DDADRL COC1CC(CCNS(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000656717013 484294480 /nfs/dbraw/zinc/29/44/80/484294480.db2.gz IGZGTKZOVMZLQW-UHFFFAOYSA-N -2 0 319.404 1.540 20 0 DDADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000663118300 484681906 /nfs/dbraw/zinc/68/19/06/484681906.db2.gz CLMSFNUMKCSVIX-SJCJKPOMSA-N -2 0 321.373 1.892 20 0 DDADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC000663138138 484697237 /nfs/dbraw/zinc/69/72/37/484697237.db2.gz GIIOUMVIPZWGTQ-BDAKNGLRSA-N -2 0 309.322 1.142 20 0 DDADRL Cc1cccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)n1 ZINC000157088227 524658573 /nfs/dbraw/zinc/65/85/73/524658573.db2.gz VLINCTUEEKWJCK-UHFFFAOYSA-N -2 0 311.301 1.288 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)o1 ZINC000020593465 599734366 /nfs/dbraw/zinc/73/43/66/599734366.db2.gz IKRYOPFFQVUDIC-UHFFFAOYSA-N -2 0 312.259 1.687 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)n(C)n1 ZINC000113456770 599965685 /nfs/dbraw/zinc/96/56/85/599965685.db2.gz ULPZEYLDDJUNEM-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)c(C(=O)[O-])[nH]1 ZINC000738463280 600176941 /nfs/dbraw/zinc/17/69/41/600176941.db2.gz KEKCZRFAJYVMRK-UHFFFAOYSA-N -2 0 315.738 1.871 20 0 DDADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000036968700 600178579 /nfs/dbraw/zinc/17/85/79/600178579.db2.gz PGMXIVVRLLMZBT-UHFFFAOYSA-N -2 0 308.315 1.346 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(F)cc2F)c1C(=O)[O-] ZINC000738828559 600229389 /nfs/dbraw/zinc/22/93/89/600229389.db2.gz FWPFPSCJPQMNMN-UHFFFAOYSA-N -2 0 317.273 1.495 20 0 DDADRL CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736354800 600241796 /nfs/dbraw/zinc/24/17/96/600241796.db2.gz LHVIDVSJMIKGCE-SNVBAGLBSA-N -2 0 313.375 1.623 20 0 DDADRL CSCCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000738191603 600352611 /nfs/dbraw/zinc/35/26/11/600352611.db2.gz MNQGXNIWUXYLPR-UHFFFAOYSA-N -2 0 323.417 1.394 20 0 DDADRL CC(C)[C@H](NC(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC000736386551 600441711 /nfs/dbraw/zinc/44/17/11/600441711.db2.gz XUABKKIURIRFMN-VIFPVBQESA-N -2 0 316.151 1.994 20 0 DDADRL Cc1cc(C)c([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c(C)c1 ZINC000314233713 600670464 /nfs/dbraw/zinc/67/04/64/600670464.db2.gz OGOMUTITJIQZSJ-UHFFFAOYSA-N -2 0 323.374 1.694 20 0 DDADRL Cc1cc([N-]C(=O)c2nc(-c3cccc(C(=O)[O-])c3)no2)no1 ZINC000832896837 600696741 /nfs/dbraw/zinc/69/67/41/600696741.db2.gz GSFQPYRZUSBACP-UHFFFAOYSA-N -2 0 314.257 1.984 20 0 DDADRL Cn1nccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000833062277 600977314 /nfs/dbraw/zinc/97/73/14/600977314.db2.gz NUEYALPGBCKUDK-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL O=C([O-])[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)C2CCCCC2)C1 ZINC000833184270 601238631 /nfs/dbraw/zinc/23/86/31/601238631.db2.gz PCGLKPRQBYAMFQ-MNOVXSKESA-N -2 0 317.407 1.656 20 0 DDADRL COc1ccc([C@@H]([N-]C(=O)C(F)(F)C(F)F)C(=O)[O-])cc1 ZINC000832240695 601283905 /nfs/dbraw/zinc/28/39/05/601283905.db2.gz GFKHSRWNARXYME-MRVPVSSYSA-N -2 0 309.215 1.838 20 0 DDADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)n1 ZINC000833277571 601558170 /nfs/dbraw/zinc/55/81/70/601558170.db2.gz SVXSMMUQYJRYFT-UHFFFAOYSA-N -2 0 321.314 1.515 20 0 DDADRL COC[C@@](C)(NC(=O)c1ccc2[n-]c(=S)oc2c1)C(=O)[O-] ZINC000831623415 601699868 /nfs/dbraw/zinc/69/98/68/601699868.db2.gz BXNCONKARBAJRE-CYBMUJFWSA-N -2 0 310.331 1.336 20 0 DDADRL CCCCN(CCCC)S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-] ZINC000829389206 602188764 /nfs/dbraw/zinc/18/87/64/602188764.db2.gz FXOXDTZEROXDRF-LLVKDONJSA-N -2 0 322.427 1.360 20 0 DDADRL Cc1cccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1F ZINC000832962863 602257868 /nfs/dbraw/zinc/25/78/68/602257868.db2.gz CPEGZODMVUAZTB-UHFFFAOYSA-N -2 0 303.311 1.059 20 0 DDADRL C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)[N-]OCc1ccccc1 ZINC000739197504 603113478 /nfs/dbraw/zinc/11/34/78/603113478.db2.gz AFXKZQZUWUBUPV-PWSUYJOCSA-N -2 0 308.334 1.738 20 0 DDADRL O=C([O-])N1CCc2ccc([N-]S(=O)(=O)c3c[nH]cn3)cc2C1 ZINC000740530030 603294992 /nfs/dbraw/zinc/29/49/92/603294992.db2.gz JPVWIRJPPVJBNW-UHFFFAOYSA-N -2 0 322.346 1.247 20 0 DDADRL CC(C)(CNC(=O)[O-])NC(=O)CSc1n[n-]c(=S)s1 ZINC000823978866 603443811 /nfs/dbraw/zinc/44/38/11/603443811.db2.gz KQXFWAUJNYBDCX-UHFFFAOYSA-N -2 0 322.437 1.081 20 0 DDADRL CCC[C@H](NC(=O)c1cccc(NC(=O)[O-])c1)c1nnn[n-]1 ZINC000826764955 603565510 /nfs/dbraw/zinc/56/55/10/603565510.db2.gz NBOUSYRTWCVHNI-JTQLQIEISA-N -2 0 304.310 1.561 20 0 DDADRL C[C@@H](CCNC(=O)c1ccc2[n-]c(=S)oc2c1)NC(=O)[O-] ZINC000824804161 603721290 /nfs/dbraw/zinc/72/12/90/603721290.db2.gz WBFYADYZYZVWHE-ZETCQYMHSA-N -2 0 309.347 1.893 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)C(C)(C)CNC(=O)[O-] ZINC000826729439 603787938 /nfs/dbraw/zinc/78/79/38/603787938.db2.gz SEOOKGKQLXKWPP-VIFPVBQESA-N -2 0 308.400 1.162 20 0 DDADRL O=C([O-])N[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)C2CCCC2)C1 ZINC000832323610 604126324 /nfs/dbraw/zinc/12/63/24/604126324.db2.gz FLXSYAPOQAYCOF-ZJUUUORDSA-N -2 0 318.395 1.201 20 0 DDADRL COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)[N-]S(C)(=O)=O ZINC000829188646 604208463 /nfs/dbraw/zinc/20/84/63/604208463.db2.gz YAUZAURERGKWST-UHFFFAOYSA-N -2 0 322.726 1.128 20 0 DDADRL C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000833408352 604880658 /nfs/dbraw/zinc/88/06/58/604880658.db2.gz SXYKCXBIBRSZKH-LURJTMIESA-N -2 0 321.738 1.132 20 0 DDADRL CS/C=C/C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000832747653 604937488 /nfs/dbraw/zinc/93/74/88/604937488.db2.gz GMDNUKHVKAEKQO-SNAWJCMRSA-N -2 0 307.374 1.128 20 0 DDADRL O=C([O-])N1CCN(C(=O)c2cc(F)cc(Cl)c2[O-])CC1 ZINC000832024155 604943347 /nfs/dbraw/zinc/94/33/47/604943347.db2.gz GVQRZYJQAMGLGS-UHFFFAOYSA-N -2 0 302.689 1.621 20 0 DDADRL Cn1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000218574776 604988453 /nfs/dbraw/zinc/98/84/53/604988453.db2.gz KFABWMXCWPEMAD-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL Cc1scc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1C ZINC000833758896 605021326 /nfs/dbraw/zinc/02/13/26/605021326.db2.gz APRRYLCRORJHRA-UHFFFAOYSA-N -2 0 305.377 1.289 20 0 DDADRL CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1cccc(Cl)c1[O-] ZINC000833505028 605261882 /nfs/dbraw/zinc/26/18/82/605261882.db2.gz GPBOQJXVJYPISS-LLVKDONJSA-N -2 0 315.753 1.996 20 0 DDADRL CN(CCCNC(=O)c1cc(F)cc(Cl)c1[O-])C(=O)[O-] ZINC000828302303 605534183 /nfs/dbraw/zinc/53/41/83/605534183.db2.gz ONNOFITYINLVSC-UHFFFAOYSA-N -2 0 304.705 1.914 20 0 DDADRL CC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833639031 605676670 /nfs/dbraw/zinc/67/66/70/605676670.db2.gz QQTQZCSDHWTMMH-JGVFFNPUSA-N -2 0 319.404 1.933 20 0 DDADRL O=C([O-])NC[C@@H]1CCCCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000834219783 605854562 /nfs/dbraw/zinc/85/45/62/605854562.db2.gz LZDAQNPEGPDFPA-VIFPVBQESA-N -2 0 314.288 1.933 20 0 DDADRL O=C([O-])Nc1ccc(C(=O)[N-]S(=O)(=O)CC2CCC2)cc1 ZINC000834257010 606030036 /nfs/dbraw/zinc/03/00/36/606030036.db2.gz WKINLUFPIQEWSW-UHFFFAOYSA-N -2 0 312.347 1.636 20 0 DDADRL O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CN(CC1CC1)C(=O)[O-] ZINC000834057896 606031044 /nfs/dbraw/zinc/03/10/44/606031044.db2.gz ITXYHAUVTXLFLI-UPJWGTAASA-N -2 0 324.377 1.621 20 0 DDADRL O=C([O-])[C@@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])c1ccccc1 ZINC000833986977 606047703 /nfs/dbraw/zinc/04/77/03/606047703.db2.gz FJAWTAYJTCKARK-YPMHNXCESA-N -2 0 306.318 1.461 20 0 DDADRL O=C([O-])CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000834065676 606048139 /nfs/dbraw/zinc/04/81/39/606048139.db2.gz OSKYFOFDYZJYOC-CYBMUJFWSA-N -2 0 320.345 1.490 20 0 DDADRL O=C([O-])CC1(NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CCCCC1 ZINC000834059960 606051753 /nfs/dbraw/zinc/05/17/53/606051753.db2.gz DPANXYBCJNISMZ-QWRGUYRKSA-N -2 0 312.366 1.717 20 0 DDADRL O=C([O-])COc1cccc(NC(=O)CC2(NC(=O)[O-])CCC2)c1 ZINC000834065312 606057319 /nfs/dbraw/zinc/05/73/19/606057319.db2.gz KKWSMEYWXDGWPP-UHFFFAOYSA-N -2 0 322.317 1.669 20 0 DDADRL C[C@@H](NC(=O)[O-])C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000833894511 606059397 /nfs/dbraw/zinc/05/93/97/606059397.db2.gz AVHYBCZBNCPPSP-SSDOTTSWSA-N -2 0 322.342 1.872 20 0 DDADRL O=C([O-])Nc1ccc(CC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000834254988 606062732 /nfs/dbraw/zinc/06/27/32/606062732.db2.gz DDWGLYPAEGOFPZ-UHFFFAOYSA-N -2 0 318.285 1.927 20 0 DDADRL CC(C)C[C@H](CNC(=O)c1ccc(CNC(=O)[O-])cc1)C(=O)[O-] ZINC000833796349 606064615 /nfs/dbraw/zinc/06/46/15/606064615.db2.gz WYGTZEFQRMDQDK-CYBMUJFWSA-N -2 0 322.361 1.931 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])c1 ZINC000834064596 606066385 /nfs/dbraw/zinc/06/63/85/606066385.db2.gz CJHKXSNDXMCNCU-NWDGAFQWSA-N -2 0 306.318 1.689 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000834066804 606067144 /nfs/dbraw/zinc/06/71/44/606067144.db2.gz WUGJDUDXQFDPBB-ZYHUDNBSSA-N -2 0 306.318 1.689 20 0 DDADRL CCCCC[C@H](NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)C(=O)[O-] ZINC000833852681 606067508 /nfs/dbraw/zinc/06/75/08/606067508.db2.gz INTFBKDMVPWJDV-MXWKQRLJSA-N -2 0 300.355 1.572 20 0 DDADRL CC(C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1)=C1CCCC1 ZINC000833789755 606089731 /nfs/dbraw/zinc/08/97/31/606089731.db2.gz KWPOVROLJPOCFJ-LLVKDONJSA-N -2 0 316.379 1.075 20 0 DDADRL O=C([O-])[C@@H]1CCN(C(=O)[C@H]2c3ccccc3CCN2C(=O)[O-])C1 ZINC000834061689 606112726 /nfs/dbraw/zinc/11/27/26/606112726.db2.gz XWGOWLDRVLXZGP-DGCLKSJQSA-N -2 0 318.329 1.197 20 0 DDADRL O=C(COCC(=O)[N-]Oc1ccccc1)[N-]Oc1ccccc1 ZINC000773467079 697763773 /nfs/dbraw/zinc/76/37/73/697763773.db2.gz RZYFVWFMOCZFJR-UHFFFAOYSA-N -2 0 316.313 1.223 20 0 DDADRL Cc1cc(C(=O)N2CCc3ncccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000770671594 701289060 /nfs/dbraw/zinc/28/90/60/701289060.db2.gz OTYUFMQVEDZHMZ-UHFFFAOYSA-N -2 0 323.312 1.342 20 0 DDADRL CC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000846715523 703323172 /nfs/dbraw/zinc/32/31/72/703323172.db2.gz PNSXNCKRRFDCIU-SFYZADRCSA-N -2 0 312.288 1.011 20 0 DDADRL Cc1cc(C)cc(CS(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])c1 ZINC000863961884 706046954 /nfs/dbraw/zinc/04/69/54/706046954.db2.gz VKJYAUUOFNJJPV-UHFFFAOYSA-N -2 0 313.375 1.360 20 0 DDADRL O=C([O-])[C@@H](CC(F)(F)F)NC(=O)NCc1ccc(O)c(F)c1 ZINC000909050114 712926004 /nfs/dbraw/zinc/92/60/04/712926004.db2.gz XGKKYWUHZOKXHN-MRVPVSSYSA-N -2 0 324.230 1.736 20 0 DDADRL C/C(=C/C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1cccs1 ZINC000910183260 709800880 /nfs/dbraw/zinc/80/08/80/709800880.db2.gz LZOWHXCXYHRIDT-QNZWMITPSA-N -2 0 323.370 1.928 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)/C=C/c2cccs2)C1 ZINC000910182094 709801064 /nfs/dbraw/zinc/80/10/64/709801064.db2.gz HQVYEWXCYXTPEL-UMVCZCLVSA-N -2 0 309.343 1.538 20 0 DDADRL C[C@@H]1CCN(C(=O)Cc2ccccc2C(=O)[O-])C[C@@H]1C(=O)[O-] ZINC000901696035 710122055 /nfs/dbraw/zinc/12/20/55/710122055.db2.gz MHWAZUKRLMRRPD-MFKMUULPSA-N -2 0 305.330 1.497 20 0 DDADRL COC[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000902305508 710707571 /nfs/dbraw/zinc/70/75/71/710707571.db2.gz IIUJKHDYPVGLQM-CQSZACIVSA-N -2 0 315.272 1.234 20 0 DDADRL CSc1ncc([O-])c(C(=O)Nc2cc(=O)[n-]c(Cl)n2)n1 ZINC001185167619 744169165 /nfs/dbraw/zinc/16/91/65/744169165.db2.gz QKUADEWMHBUESV-UHFFFAOYSA-N -2 0 313.726 1.305 20 0 DDADRL COc1nccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185875553 744298036 /nfs/dbraw/zinc/29/80/36/744298036.db2.gz GBJLNSYUWMXMDX-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)ncn1C ZINC001185877816 744307225 /nfs/dbraw/zinc/30/72/25/744307225.db2.gz VEZNMFSFPZMTGH-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL Cc1cnc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 ZINC001192100692 745690627 /nfs/dbraw/zinc/69/06/27/745690627.db2.gz XOBIBTCVHYZFCD-UHFFFAOYSA-N -2 0 321.358 1.603 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cccc(C2CCC2)n1 ZINC001197875604 747294074 /nfs/dbraw/zinc/29/40/74/747294074.db2.gz UXTKCPQUCONUTG-UHFFFAOYSA-N -2 0 300.251 1.188 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccc2c1OCO2 ZINC001198730110 747582709 /nfs/dbraw/zinc/58/27/09/747582709.db2.gz HAQYHFBCSCUYLQ-UHFFFAOYSA-N -2 0 321.310 1.914 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1noc2cnccc12 ZINC001198740481 747586246 /nfs/dbraw/zinc/58/62/46/747586246.db2.gz HNOLJIFEFOHMAO-UHFFFAOYSA-N -2 0 319.298 1.722 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnc2cccnn12 ZINC001198746321 747589034 /nfs/dbraw/zinc/58/90/34/747589034.db2.gz DARVLRUIZDBWJC-UHFFFAOYSA-N -2 0 318.314 1.228 20 0 DDADRL CCOC(=O)c1ccnc(NCCOP(=O)([O-])[O-])c1C ZINC001168586875 751180572 /nfs/dbraw/zinc/18/05/72/751180572.db2.gz MLVJYUGRNCCACC-UHFFFAOYSA-N -2 0 304.239 1.088 20 0 DDADRL COC(=O)c1ccnc(Cl)c1NCCOP(=O)([O-])[O-] ZINC001168587744 751185713 /nfs/dbraw/zinc/18/57/13/751185713.db2.gz UXJHQXGNJHKJDX-UHFFFAOYSA-N -2 0 310.630 1.043 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1ccccc1OC(F)F ZINC001148708776 773584924 /nfs/dbraw/zinc/58/49/24/773584924.db2.gz IYEQXBGTSXFSJU-UHFFFAOYSA-N -2 0 311.177 1.127 20 0 DDADRL O=C(CSCc1ccc(F)cc1)NCCOP(=O)([O-])[O-] ZINC001180569727 779838151 /nfs/dbraw/zinc/83/81/51/779838151.db2.gz LEDKBUAUGCUNGD-UHFFFAOYSA-N -2 0 323.282 1.284 20 0 DDADRL O=P([O-])([O-])OCCNc1nccc(-c2cccnc2F)n1 ZINC001157791719 864146064 /nfs/dbraw/zinc/14/60/64/864146064.db2.gz RRHCJMHMDRIVBI-UHFFFAOYSA-N -2 0 314.213 1.199 20 0 DDADRL Cc1cc2[nH]c(C(=O)NCCOP(=O)([O-])[O-])cc2s1 ZINC001154007146 864308225 /nfs/dbraw/zinc/30/82/25/864308225.db2.gz WXSGASYHNIQGSK-UHFFFAOYSA-N -2 0 304.264 1.377 20 0 DDADRL Cc1ccc2c(c1)[C@@H](Nc1ccc(P(=O)([O-])[O-])cc1)C(=O)N2 ZINC001162576040 867655661 /nfs/dbraw/zinc/65/56/61/867655661.db2.gz RTXAAXDJJPARNO-CQSZACIVSA-N -2 0 318.269 1.903 20 0 DDADRL NC(=O)c1ccccc1CNc1ccc(P(=O)([O-])[O-])cc1 ZINC001166235637 869916837 /nfs/dbraw/zinc/91/68/37/869916837.db2.gz KLWJAPDYNWFPRU-UHFFFAOYSA-N -2 0 306.258 1.201 20 0 DDADRL Cc1ccc(C(C)C)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001227944622 883246203 /nfs/dbraw/zinc/24/62/03/883246203.db2.gz CQTCCIWCIJBLPY-SMDDNHRTSA-N -2 0 324.329 1.560 20 0 DDADRL Cc1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])ccc1Cl ZINC001228072236 883319181 /nfs/dbraw/zinc/31/91/81/883319181.db2.gz MNCWYKCHIASZCY-SECBINFHSA-N -2 0 310.626 1.024 20 0 DDADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)[N-]N3CCOC3=O)n2)c1 ZINC001362664429 884360519 /nfs/dbraw/zinc/36/05/19/884360519.db2.gz BXIDOKPZKFKHJG-UHFFFAOYSA-N -2 0 320.280 1.122 20 0 DDADRL COC[C@@H](C)OC[C@@H](C)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234336199 887879101 /nfs/dbraw/zinc/87/91/01/887879101.db2.gz PXEAUVARPLVSBL-GHMZBOCLSA-N -2 0 320.278 1.977 20 0 DDADRL CN(Cc1nc(=O)o[n-]1)C(=O)c1c([O-])cc(Cl)cc1Cl ZINC001364102033 887921161 /nfs/dbraw/zinc/92/11/61/887921161.db2.gz GWWRNHXCYNSBJK-UHFFFAOYSA-N -2 0 318.116 1.648 20 0 DDADRL C[S@@](=O)c1ncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001242164545 891357759 /nfs/dbraw/zinc/35/77/59/891357759.db2.gz MSZSRIPAPFHEDO-OAQYLSRUSA-N -2 0 306.299 1.277 20 0 DDADRL O=C([O-])c1ccc(-c2cccc(S(=O)(=O)[O-])n2)c(F)c1F ZINC001243512498 891671188 /nfs/dbraw/zinc/67/11/88/891671188.db2.gz YGHNTENCZSWNFL-UHFFFAOYSA-N -2 0 315.253 1.972 20 0 DDADRL O=c1cc(CNS(=O)(=O)c2cc(F)c(F)cc2F)o[n-]1 ZINC001259043573 898437359 /nfs/dbraw/zinc/43/73/59/898437359.db2.gz RFSYCBNBJGENGM-UHFFFAOYSA-N -2 0 308.237 1.276 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cn1 ZINC000078814463 185114239 /nfs/dbraw/zinc/11/42/39/185114239.db2.gz XRKYSBGQZZWEAO-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL COC(=O)c1ccc(=N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)[n-]n1 ZINC000593329632 355855360 /nfs/dbraw/zinc/85/53/60/355855360.db2.gz ZNANCMDNAVNIMM-DGCLKSJQSA-N -2 0 313.313 1.410 20 0 DDADRL CCn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cn1 ZINC000091436445 193054944 /nfs/dbraw/zinc/05/49/44/193054944.db2.gz FOAHAQORFJJTCY-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC000028779201 182538953 /nfs/dbraw/zinc/53/89/53/182538953.db2.gz MPRJASAKNDOYKL-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cccc(Cl)c1[O-] ZINC000340990209 251321138 /nfs/dbraw/zinc/32/11/38/251321138.db2.gz YKAHFULJLBQKKA-UHFFFAOYSA-N -2 0 321.782 1.987 20 0 DDADRL COCc1nc(=NC[C@H](Cc2ccccc2)C(=O)[O-])s[n-]1 ZINC000569489880 304357897 /nfs/dbraw/zinc/35/78/97/304357897.db2.gz OZNRJNFCVQJKTB-NSHDSACASA-N -2 0 307.375 1.462 20 0 DDADRL O=C([O-])CCCNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000013340710 406860646 /nfs/dbraw/zinc/86/06/46/406860646.db2.gz GRAKSPGOIOCJBR-UHFFFAOYSA-N -2 0 321.738 1.181 20 0 DDADRL Cc1c(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cccc1C(=O)[O-] ZINC000315777893 164019930 /nfs/dbraw/zinc/01/99/30/164019930.db2.gz VDUXUOCFLAFSRM-UHFFFAOYSA-N -2 0 324.314 1.520 20 0 DDADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(C)cc(C)c1C(=O)[O-] ZINC000349078537 409681823 /nfs/dbraw/zinc/68/18/23/409681823.db2.gz FNTFQDFLDKFKEX-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL CC[C@H](NS(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-] ZINC000297051404 409777199 /nfs/dbraw/zinc/77/71/99/409777199.db2.gz VKOLFOKPQLROCJ-LURJTMIESA-N -2 0 319.726 1.018 20 0 DDADRL O=C(N=c1cc(C(F)(F)F)[n-][nH]1)c1n[nH]nc1-c1ccccc1 ZINC000338415657 409969737 /nfs/dbraw/zinc/96/97/37/409969737.db2.gz JAOIMKMWQHYRFU-UHFFFAOYSA-N -2 0 322.250 1.888 20 0 DDADRL CC(C)(C)CC[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)C(=O)[O-] ZINC000647733615 423019771 /nfs/dbraw/zinc/01/97/71/423019771.db2.gz QWSBMGLVDOMHEN-LLVKDONJSA-N -2 0 308.334 1.789 20 0 DDADRL Cc1cccc(S(=O)(=O)NC[C@@H](CC2CC2)C(=O)[O-])c1F ZINC000405364416 418775469 /nfs/dbraw/zinc/77/54/69/418775469.db2.gz VTARKNHVJCMNJH-LLVKDONJSA-N -2 0 315.366 1.913 20 0 DDADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1O ZINC000433516119 229216301 /nfs/dbraw/zinc/21/63/01/229216301.db2.gz NDAWYRLNJPATIV-UHFFFAOYSA-N -2 0 323.326 1.905 20 0 DDADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccnn1C ZINC000547871760 421376478 /nfs/dbraw/zinc/37/64/78/421376478.db2.gz IBRDXKMUUDCIQA-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL C[C@H]1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)C[C@H]1C(=O)[O-] ZINC000630444367 422106123 /nfs/dbraw/zinc/10/61/23/422106123.db2.gz DVWGAWHOPSJROH-QPUJVOFHSA-N -2 0 317.338 1.263 20 0 DDADRL O=C([O-])[C@]1(CN=c2[n-]c(-c3ccccc3)no2)CCCOC1 ZINC000630463930 422117664 /nfs/dbraw/zinc/11/76/64/422117664.db2.gz RVUORTXTMAZFND-HNNXBMFYSA-N -2 0 303.318 1.452 20 0 DDADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000020562617 263248801 /nfs/dbraw/zinc/24/88/01/263248801.db2.gz JSWZTYXTTJOXNO-UHFFFAOYSA-N -2 0 311.319 1.231 20 0 DDADRL CO[C@H](C)c1nc(=NC(=O)NC[C@H](C(=O)[O-])C(C)C)s[n-]1 ZINC000653546148 423521730 /nfs/dbraw/zinc/52/17/30/423521730.db2.gz ZIPXPYQOYQLHBD-SFYZADRCSA-N -2 0 316.383 1.146 20 0 DDADRL CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O)C(C)C ZINC000647124684 423762526 /nfs/dbraw/zinc/76/25/26/423762526.db2.gz UGEFLMJIZZJGFE-LBPRGKRZSA-N -2 0 317.363 1.503 20 0 DDADRL O=C([O-])COc1cccc(C(=O)N(CC(=O)[O-])C2CCC2)c1 ZINC000659767512 424238385 /nfs/dbraw/zinc/23/83/85/424238385.db2.gz QHTNZRFVDPYBAY-UHFFFAOYSA-N -2 0 307.302 1.229 20 0 DDADRL O=C([O-])C[C@@H]1CCCN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000665318242 424781894 /nfs/dbraw/zinc/78/18/94/424781894.db2.gz SFPHGZJTXLSARV-CMPLNLGQSA-N -2 0 312.366 1.384 20 0 DDADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000263159022 297343230 /nfs/dbraw/zinc/34/32/30/297343230.db2.gz FZIAWIKJSIROEC-RQJHMYQMSA-N -2 0 317.263 1.992 20 0 DDADRL O=c1[n-]c(CN=c2[n-]nc(-c3ccccc3Cl)s2)n[nH]1 ZINC000354585690 298472516 /nfs/dbraw/zinc/47/25/16/298472516.db2.gz YYIVREDNIKDITR-UHFFFAOYSA-N -2 0 308.754 1.716 20 0 DDADRL Cc1onc(N)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000514989568 302758655 /nfs/dbraw/zinc/75/86/55/302758655.db2.gz KOYMYOGAEFLOON-UHFFFAOYSA-N -2 0 311.319 1.203 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)c[nH]1 ZINC000361777679 307006188 /nfs/dbraw/zinc/00/61/88/307006188.db2.gz XAXUIZUWVRIBFG-UHFFFAOYSA-N -2 0 306.250 1.105 20 0 DDADRL CCCC[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C(=O)[O-] ZINC000579238404 308517314 /nfs/dbraw/zinc/51/73/14/308517314.db2.gz CWCNALDEWZWSHC-NSHDSACASA-N -2 0 319.317 1.403 20 0 DDADRL O=C([O-])[C@@H](NS(=O)(=O)c1cccnc1C(F)(F)F)C1CC1 ZINC000672787427 485347871 /nfs/dbraw/zinc/34/78/71/485347871.db2.gz YAKNUXOWDMAJHK-QMMMGPOBSA-N -2 0 324.280 1.242 20 0 DDADRL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cc1 ZINC000821235368 598160071 /nfs/dbraw/zinc/16/00/71/598160071.db2.gz HFWYGFDVAGPAMB-UHFFFAOYSA-N -2 0 324.314 1.108 20 0 DDADRL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)nc1 ZINC000737376311 600246623 /nfs/dbraw/zinc/24/66/23/600246623.db2.gz SKJGSDMEIZZTJU-UHFFFAOYSA-N -2 0 311.319 1.240 20 0 DDADRL CC[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccccc1 ZINC000736848031 600460242 /nfs/dbraw/zinc/46/02/42/600460242.db2.gz LMDNLPGSJOZAEK-GFCCVEGCSA-N -2 0 313.375 1.491 20 0 DDADRL Cc1ccccc1CCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000738767656 600461597 /nfs/dbraw/zinc/46/15/97/600461597.db2.gz IPKYBJIGNVFMON-UHFFFAOYSA-N -2 0 313.375 1.238 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cccc2ccccc21 ZINC000739696269 600463866 /nfs/dbraw/zinc/46/38/66/600463866.db2.gz PIMLXJIGQJXJJO-UHFFFAOYSA-N -2 0 321.354 1.764 20 0 DDADRL Cc1cc(OCC(=O)[O-])ccc1NC(=O)CC(C)(C)C(=O)[O-] ZINC000738475843 600639755 /nfs/dbraw/zinc/63/97/55/600639755.db2.gz HCOLEQIVHUIREO-UHFFFAOYSA-N -2 0 309.318 1.898 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)c1C(=O)[O-] ZINC000738286474 600684838 /nfs/dbraw/zinc/68/48/38/600684838.db2.gz ADPYIGVYUZDOBB-UHFFFAOYSA-N -2 0 311.319 1.231 20 0 DDADRL CCCn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cn1 ZINC000081198868 600686314 /nfs/dbraw/zinc/68/63/14/600686314.db2.gz IVZASENOVPFTRK-UHFFFAOYSA-N -2 0 315.376 1.854 20 0 DDADRL Cc1ccsc1S(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1 ZINC000738799474 600893846 /nfs/dbraw/zinc/89/38/46/600893846.db2.gz XTJLNLFEZBTIEL-UHFFFAOYSA-N -2 0 301.349 1.138 20 0 DDADRL Cc1cc(F)cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1 ZINC000832887570 600947065 /nfs/dbraw/zinc/94/70/65/600947065.db2.gz MOSJYGSGLGJPTB-UHFFFAOYSA-N -2 0 303.311 1.059 20 0 DDADRL C[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1cccc(F)c1 ZINC000826008224 600946847 /nfs/dbraw/zinc/94/68/47/600946847.db2.gz GSBWAAYGLYDRNQ-SECBINFHSA-N -2 0 317.338 1.240 20 0 DDADRL Cc1nc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)sc1C ZINC000049099104 600976082 /nfs/dbraw/zinc/97/60/82/600976082.db2.gz UQLJGLJWBHUSBF-UHFFFAOYSA-N -2 0 301.349 1.587 20 0 DDADRL CCn1nccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000830452382 601359102 /nfs/dbraw/zinc/35/91/02/601359102.db2.gz XHNPJTUNTAJBEQ-VMPITWQZSA-N -2 0 321.358 1.802 20 0 DDADRL Cc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)s1 ZINC000123505944 601501170 /nfs/dbraw/zinc/50/11/70/601501170.db2.gz WDCQXWAZRDAEDR-UHFFFAOYSA-N -2 0 305.362 1.407 20 0 DDADRL O=C([O-])[C@@H]1COCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000823847271 601720886 /nfs/dbraw/zinc/72/08/86/601720886.db2.gz KMWRRGAZMMRDOP-VIFPVBQESA-N -2 0 308.315 1.042 20 0 DDADRL O=C([O-])CCCCNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000821522353 601756208 /nfs/dbraw/zinc/75/62/08/601756208.db2.gz XRPTZHMTCYOBRA-UHFFFAOYSA-N -2 0 321.308 1.702 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)CCc2ccoc2)c1 ZINC000833103162 601843350 /nfs/dbraw/zinc/84/33/50/601843350.db2.gz CJJQEHKZTRFTFM-UHFFFAOYSA-N -2 0 323.326 1.416 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])nc1Cl ZINC000833055334 602155870 /nfs/dbraw/zinc/15/58/70/602155870.db2.gz HPRGMRUZIOZZIR-UHFFFAOYSA-N -2 0 322.755 1.029 20 0 DDADRL Cn1cnc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])c1 ZINC000740296784 602244433 /nfs/dbraw/zinc/24/44/33/602244433.db2.gz QZTQWEXZMGBUMJ-UHFFFAOYSA-N -2 0 322.346 1.261 20 0 DDADRL O=C([O-])NCCC[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000740652443 602388613 /nfs/dbraw/zinc/38/86/13/602388613.db2.gz OBSVSFAIRGIASZ-UHFFFAOYSA-N -2 0 312.269 1.040 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])cn1 ZINC000739569720 602652234 /nfs/dbraw/zinc/65/22/34/602652234.db2.gz HHLBBSXDHCQGFH-UHFFFAOYSA-N -2 0 310.335 1.794 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000826571476 603446472 /nfs/dbraw/zinc/44/64/72/603446472.db2.gz IVRSSJTYQFGPKO-QWRGUYRKSA-N -2 0 320.411 1.305 20 0 DDADRL CN(Cc1nc(=O)c2sccc2[n-]1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828423082 603537830 /nfs/dbraw/zinc/53/78/30/603537830.db2.gz WTKDAFHQZSMLEZ-QMMMGPOBSA-N -2 0 308.363 1.581 20 0 DDADRL O=C([O-])N[C@@H]1CCCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000738656642 603685674 /nfs/dbraw/zinc/68/56/74/603685674.db2.gz SIEUHDHTEZYOIU-SECBINFHSA-N -2 0 321.358 1.989 20 0 DDADRL CCC[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1nnn[n-]1 ZINC000829231022 604332815 /nfs/dbraw/zinc/33/28/15/604332815.db2.gz RWKKVIYOUFQNRF-SNVBAGLBSA-N -2 0 307.285 1.308 20 0 DDADRL CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000826806666 604369401 /nfs/dbraw/zinc/36/94/01/604369401.db2.gz HRYPYCNIPQQKTJ-LBPRGKRZSA-N -2 0 308.334 1.935 20 0 DDADRL CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000826793799 604370552 /nfs/dbraw/zinc/37/05/52/604370552.db2.gz SDAVXIPQGBPATD-QWRGUYRKSA-N -2 0 300.355 1.382 20 0 DDADRL CC(C)c1ncc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])s1 ZINC000827158272 604815578 /nfs/dbraw/zinc/81/55/78/604815578.db2.gz GGNDGXSVRKKTIO-UHFFFAOYSA-N -2 0 320.392 1.191 20 0 DDADRL C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000833408875 604880585 /nfs/dbraw/zinc/88/05/85/604880585.db2.gz YLFACFHAWYOFLF-LURJTMIESA-N -2 0 321.738 1.132 20 0 DDADRL C[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1)C1CCCC1 ZINC000823701370 605273290 /nfs/dbraw/zinc/27/32/90/605273290.db2.gz DGAIRCOXSZTPCU-GXSJLCMTSA-N -2 0 318.395 1.011 20 0 DDADRL O=C([O-])N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[N-]OCc1cccnc1 ZINC000834050033 605656372 /nfs/dbraw/zinc/65/63/72/605656372.db2.gz UWODNYNRSDJTGQ-MCIONIFRSA-N -2 0 319.361 1.941 20 0 DDADRL O=C([O-])N1CCOC[C@H]1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000831777816 605797543 /nfs/dbraw/zinc/79/75/43/605797543.db2.gz FTDWYSOZCYXKTA-VIFPVBQESA-N -2 0 323.330 1.434 20 0 DDADRL O=C([O-])Nc1ccc(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000834256396 606030912 /nfs/dbraw/zinc/03/09/12/606030912.db2.gz QASLQOCMFQOIFJ-LLVKDONJSA-N -2 0 306.318 1.642 20 0 DDADRL O=C([O-])C[C@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)c1cccs1 ZINC000834061237 606034630 /nfs/dbraw/zinc/03/46/30/606034630.db2.gz RGRFVKKHVASBRF-BDAKNGLRSA-N -2 0 312.347 1.380 20 0 DDADRL O=C([O-])CN(C(=O)C[C@H](Cc1ccccc1)NC(=O)[O-])C1CC1 ZINC000834066425 606047658 /nfs/dbraw/zinc/04/76/58/606047658.db2.gz UBYBOGCSPAUXPM-LBPRGKRZSA-N -2 0 320.345 1.331 20 0 DDADRL CN(C(=O)CC1(NC(=O)[O-])CCC1)[C@H](C(=O)[O-])c1ccccc1 ZINC000833868427 606050660 /nfs/dbraw/zinc/05/06/60/606050660.db2.gz AVIWQMDYJIQOFW-ZDUSSCGKSA-N -2 0 320.345 1.851 20 0 DDADRL O=C([O-])CC1(NC(=O)CC2(NC(=O)[O-])CCC2)CCCCC1 ZINC000834060603 606051870 /nfs/dbraw/zinc/05/18/70/606051870.db2.gz HQLCUPMXFQDRAP-UHFFFAOYSA-N -2 0 312.366 1.861 20 0 DDADRL Cc1oc(CN(C)C(=O)C2(NC(=O)[O-])CCCC2)cc1C(=O)[O-] ZINC000833934228 606055442 /nfs/dbraw/zinc/05/54/42/606055442.db2.gz CLNNWWVFLHXNEY-UHFFFAOYSA-N -2 0 324.333 1.825 20 0 DDADRL O=C([O-])c1cc(NC(=O)[C@H]2CCCCN2C(=O)[O-])ccc1F ZINC000834283720 606056531 /nfs/dbraw/zinc/05/65/31/606056531.db2.gz UWOJDPJFOXSUGS-LLVKDONJSA-N -2 0 310.281 1.995 20 0 DDADRL O=C([O-])CCc1ccc(NC(=O)[C@H]2COCCN2C(=O)[O-])cc1 ZINC000834060635 606063052 /nfs/dbraw/zinc/06/30/52/606063052.db2.gz UBEKCEDUWUXHNP-GFCCVEGCSA-N -2 0 322.317 1.021 20 0 DDADRL CCC1CCC(NC(=O)CC(C)(C)NC(=O)[O-])(C(=O)[O-])CC1 ZINC000833846429 606066134 /nfs/dbraw/zinc/06/61/34/606066134.db2.gz RYDJLGUMZRAILH-UHFFFAOYSA-N -2 0 314.382 1.963 20 0 DDADRL O=C([O-])C[C@@H](NC(=O)CCNC(=O)[O-])c1ccc(F)cc1F ZINC000834061503 606068252 /nfs/dbraw/zinc/06/82/52/606068252.db2.gz VXVVFCFFKMZVCW-SNVBAGLBSA-N -2 0 316.260 1.255 20 0 DDADRL CCCC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)[O-] ZINC000747849394 700089689 /nfs/dbraw/zinc/08/96/89/700089689.db2.gz ZETADBGESVKQFE-QMMMGPOBSA-N -2 0 321.376 1.368 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)s1 ZINC000863952765 706045031 /nfs/dbraw/zinc/04/50/31/706045031.db2.gz GZVGSPAVJAWBTM-UHFFFAOYSA-N -2 0 303.361 1.116 20 0 DDADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)CC1CCC1)C1CCCC1 ZINC000863958013 706046636 /nfs/dbraw/zinc/04/66/36/706046636.db2.gz XFDGSYHEDUHHLO-LLVKDONJSA-N -2 0 303.380 1.124 20 0 DDADRL CCn1ncc([N-]S(=O)(=O)c2cc(OC)ccc2O)c1C ZINC000872421994 707404937 /nfs/dbraw/zinc/40/49/37/707404937.db2.gz CIPCJHPSSZYYMY-UHFFFAOYSA-N -2 0 311.363 1.726 20 0 DDADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCC=C(F)C2)c1 ZINC000906921067 712439411 /nfs/dbraw/zinc/43/94/11/712439411.db2.gz VJIIYWXHFAGKQN-UHFFFAOYSA-N -2 0 301.295 1.338 20 0 DDADRL CC[C@H]([N-]S(=O)(=O)c1occc1Br)C(=O)[O-] ZINC000926452688 715068924 /nfs/dbraw/zinc/06/89/24/715068924.db2.gz GXVVETJCFPHUGC-LURJTMIESA-N -2 0 312.141 1.184 20 0 DDADRL CC(C)C[C@](C)(C[N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000926575391 715090053 /nfs/dbraw/zinc/09/00/53/715090053.db2.gz GUKKGRXVTGWCNV-PSASIEDQSA-N -2 0 319.345 1.994 20 0 DDADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cncc(O)c2)cc1 ZINC001192107038 745692177 /nfs/dbraw/zinc/69/21/77/745692177.db2.gz WKJVVORKUAKVNP-UHFFFAOYSA-N -2 0 322.342 1.605 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2cc([O-])c(F)c(F)c2)cn1 ZINC001195723080 746685597 /nfs/dbraw/zinc/68/55/97/746685597.db2.gz JRDUDGJATFVYLW-UHFFFAOYSA-N -2 0 316.285 1.875 20 0 DDADRL COc1c(Cl)nc(Cl)nc1NCCOP(=O)([O-])[O-] ZINC001168585737 751173955 /nfs/dbraw/zinc/17/39/55/751173955.db2.gz FEGWZMJWADERED-UHFFFAOYSA-N -2 0 318.053 1.313 20 0 DDADRL C[Si](C)(C)c1ccnc(NCCOP(=O)([O-])[O-])c1F ZINC001168591853 751221806 /nfs/dbraw/zinc/22/18/06/751221806.db2.gz ZUZVFXPEBLCHTI-UHFFFAOYSA-N -2 0 308.322 1.287 20 0 DDADRL Nc1cc(N2CCCC2)nn1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237480 778088717 /nfs/dbraw/zinc/08/87/17/778088717.db2.gz HYLKSHAKBCEBIO-UHFFFAOYSA-N -2 0 316.317 1.451 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cnc(CCC(F)(F)F)s1 ZINC001412183330 854304842 /nfs/dbraw/zinc/30/48/42/854304842.db2.gz VLMDIDUNXLSFOF-UHFFFAOYSA-N -2 0 323.256 1.025 20 0 DDADRL COc1ccc(C)cc1NC(=O)NCCOP(=O)([O-])[O-] ZINC001202870753 860207722 /nfs/dbraw/zinc/20/77/22/860207722.db2.gz CYXXEHAVCAFUBU-UHFFFAOYSA-N -2 0 304.239 1.234 20 0 DDADRL Cc1cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)n[nH]1 ZINC001346029077 873593387 /nfs/dbraw/zinc/59/33/87/873593387.db2.gz RNUHBQDZOOUTDO-UHFFFAOYSA-N -2 0 300.278 1.028 20 0 DDADRL CC[C@H](C)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001227331503 882972469 /nfs/dbraw/zinc/97/24/69/882972469.db2.gz ZPNSPWFXFSKWHV-MRCXROJRSA-N -2 0 324.329 1.642 20 0 DDADRL COc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)ccn1 ZINC000320002402 880277150 /nfs/dbraw/zinc/27/71/50/880277150.db2.gz QQAXFPWNXOCNDC-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL O=P([O-])([O-])c1ccc(-c2cnc(N3CCCCC3)nc2)cc1 ZINC001222139646 880282931 /nfs/dbraw/zinc/28/29/31/880282931.db2.gz WSPPPDWJCZKPQZ-UHFFFAOYSA-N -2 0 319.301 1.937 20 0 DDADRL CCC(CC)(NC(=O)c1cc(F)c([O-])c(F)c1)c1nnn[n-]1 ZINC001363135947 885553811 /nfs/dbraw/zinc/55/38/11/885553811.db2.gz LKRCTGGSFFVZDU-UHFFFAOYSA-N -2 0 311.292 1.629 20 0 DDADRL CSc1ccc(C)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1 ZINC001234238276 887783111 /nfs/dbraw/zinc/78/31/11/887783111.db2.gz JYDYKDFKNRAEQD-SECBINFHSA-N -2 0 322.275 1.093 20 0 DDADRL NC(=S)c1ccnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242161153 891356476 /nfs/dbraw/zinc/35/64/76/891356476.db2.gz YDSLHKUEGPMZHI-UHFFFAOYSA-N -2 0 302.311 1.779 20 0 DDADRL Cc1c(C(=O)[O-])cccc1-c1ccc2c(c1)C(=O)[N-]S2(=O)=O ZINC001245299316 892068826 /nfs/dbraw/zinc/06/88/26/892068826.db2.gz FAAYHOQBQLZNSO-UHFFFAOYSA-N -2 0 317.322 1.792 20 0 DDADRL O=C1COc2cc(-c3ccc(P(=O)([O-])[O-])cc3)ccc2N1 ZINC001245456890 892131398 /nfs/dbraw/zinc/13/13/98/892131398.db2.gz IHRISPVZVBBOCN-UHFFFAOYSA-N -2 0 305.226 1.488 20 0 DDADRL NC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2)c(O)c1 ZINC001259254210 898549278 /nfs/dbraw/zinc/54/92/78/898549278.db2.gz IFGDZSQAEWFJFV-UHFFFAOYSA-N -2 0 324.333 1.572 20 0 DDADRL COc1nc(C)ncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260221975 899096091 /nfs/dbraw/zinc/09/60/91/899096091.db2.gz DIUYXFZGFXQDMK-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccnnc2)c1 ZINC000701890685 902383962 /nfs/dbraw/zinc/38/39/62/902383962.db2.gz JXFBXMGZJQSURC-UHFFFAOYSA-N -2 0 313.722 1.629 20 0 DDADRL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000166070863 354248884 /nfs/dbraw/zinc/24/88/84/354248884.db2.gz NFUNCGMUXZDODL-UHFFFAOYSA-N -2 0 323.374 1.465 20 0 DDADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cncnc2)c1C ZINC000231773430 354328811 /nfs/dbraw/zinc/32/88/11/354328811.db2.gz ZFSMJBQVSSYSOS-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL O=C([O-])[C@H](CC(F)F)NS(=O)(=O)c1cccc2ccoc21 ZINC000567462306 304220949 /nfs/dbraw/zinc/22/09/49/304220949.db2.gz HLNIPGDZIJXXFS-QMMMGPOBSA-N -2 0 319.285 1.820 20 0 DDADRL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000417416094 533452582 /nfs/dbraw/zinc/45/25/82/533452582.db2.gz HOPWCLOIABHCJN-YFKPBYRVSA-N -2 0 313.709 1.760 20 0 DDADRL CC(=O)c1ccc([O-])c([N-]S(=O)(=O)CCOC(C)C)c1 ZINC000272123680 407783259 /nfs/dbraw/zinc/78/32/59/407783259.db2.gz QXCSFGSZIKDYKP-UHFFFAOYSA-N -2 0 301.364 1.762 20 0 DDADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2ccoc2)cc1 ZINC000349107750 409695964 /nfs/dbraw/zinc/69/59/64/409695964.db2.gz KNAUGUDOKFUXHM-UHFFFAOYSA-N -2 0 311.315 1.934 20 0 DDADRL O=c1[n-]c(CCCN=c2[n-]nc(-c3ccccc3)s2)n[nH]1 ZINC000341295607 410986324 /nfs/dbraw/zinc/98/63/24/410986324.db2.gz YFOQFQPOSOCWIT-UHFFFAOYSA-N -2 0 302.363 1.495 20 0 DDADRL CC[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O)OC ZINC000421160536 419510364 /nfs/dbraw/zinc/51/03/64/419510364.db2.gz YMWLBABHOSPRFM-SECBINFHSA-N -2 0 303.336 1.257 20 0 DDADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccccc2O)c1 ZINC000436999378 229554089 /nfs/dbraw/zinc/55/40/89/229554089.db2.gz RDYXBIRWLDCLIH-UHFFFAOYSA-N -2 0 323.326 1.905 20 0 DDADRL O=C(N=c1cc(C(F)(F)F)[n-][nH]1)c1c[n-]c2ccccc2c1=O ZINC000448516052 420857975 /nfs/dbraw/zinc/85/79/75/420857975.db2.gz USROMHOCXCOFGH-UHFFFAOYSA-N -2 0 322.246 1.944 20 0 DDADRL Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)c2n[nH]c(=O)[n-]2)s1 ZINC000527207956 421365053 /nfs/dbraw/zinc/36/50/53/421365053.db2.gz BZGRXFAZTOPQOI-UHFFFAOYSA-N -2 0 320.309 1.151 20 0 DDADRL C[C@@H](CN(C)S(=O)(=O)c1cccc(Cl)c1[O-])C(=O)[O-] ZINC000630443610 422107306 /nfs/dbraw/zinc/10/73/06/422107306.db2.gz CUZPBYJNXUDADS-ZETCQYMHSA-N -2 0 307.755 1.387 20 0 DDADRL CC[C@@H](C(=O)[O-])N(C)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000653338872 423444862 /nfs/dbraw/zinc/44/48/62/423444862.db2.gz PAWFVMWUMJIEQK-NSHDSACASA-N -2 0 303.318 1.513 20 0 DDADRL O=C([O-])C[C@@H]1CCCN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000665318243 424781495 /nfs/dbraw/zinc/78/14/95/424781495.db2.gz SFPHGZJTXLSARV-JQWIXIFHSA-N -2 0 312.366 1.384 20 0 DDADRL O=C([O-])c1csc(S(=O)(=O)NCC[C@H]2CCCOC2)c1 ZINC000530152754 303176587 /nfs/dbraw/zinc/17/65/87/303176587.db2.gz SYOKKSMMFHRGTA-SECBINFHSA-N -2 0 319.404 1.541 20 0 DDADRL O=C([O-])[C@@H]1C[C@H](NC(=O)C2(C(=O)[O-])CCC2)c2ccccc21 ZINC000663117781 484682182 /nfs/dbraw/zinc/68/21/82/484682182.db2.gz BADFIPOQQNFOJW-NEPJUHHUSA-N -2 0 303.314 1.671 20 0 DDADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cn1 ZINC000736306290 599738198 /nfs/dbraw/zinc/73/81/98/599738198.db2.gz POYGWBCFNWTNTN-UHFFFAOYSA-N -2 0 313.335 1.730 20 0 DDADRL CN(CCCC(=O)[N-]S(=O)(=O)C1CCCCC1)C(=O)[O-] ZINC000737426680 599912780 /nfs/dbraw/zinc/91/27/80/599912780.db2.gz ISKCROPMIRULIY-UHFFFAOYSA-N -2 0 306.384 1.155 20 0 DDADRL Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c(C(=O)[O-])[nH]1 ZINC000738463820 600176982 /nfs/dbraw/zinc/17/69/82/600176982.db2.gz PETBSSATYBKAOS-UHFFFAOYSA-N -2 0 324.314 1.520 20 0 DDADRL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)nc1 ZINC000314914212 600178517 /nfs/dbraw/zinc/17/85/17/600178517.db2.gz OQCYNIVAAZXJAU-UHFFFAOYSA-N -2 0 321.289 1.591 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(Cl)nc2)c1C(=O)[O-] ZINC000738339435 600230426 /nfs/dbraw/zinc/23/04/26/600230426.db2.gz ZNJAOIVSYWJXQH-UHFFFAOYSA-N -2 0 316.726 1.266 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)c1C(=O)[O-] ZINC000738829169 600232624 /nfs/dbraw/zinc/23/26/24/600232624.db2.gz LTYJLCXOEJJKTN-UHFFFAOYSA-N -2 0 321.318 1.093 20 0 DDADRL O=C([O-])Nc1cc([N-]S(=O)(=O)c2c[nH]cn2)ccc1F ZINC000740012374 600255931 /nfs/dbraw/zinc/25/59/31/600255931.db2.gz MLSZEKBABANXRM-UHFFFAOYSA-N -2 0 300.271 1.440 20 0 DDADRL CCCc1c(C(=O)[N-]S(=O)(=O)CCC)[nH]c(C)c1C(=O)[O-] ZINC000737043728 600511095 /nfs/dbraw/zinc/51/10/95/600511095.db2.gz MMDMXQBPNBWAEJ-UHFFFAOYSA-N -2 0 316.379 1.443 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)CCC2CCC2)c1 ZINC000833096284 601142624 /nfs/dbraw/zinc/14/26/24/601142624.db2.gz DNGLCDTUDAKDGZ-UHFFFAOYSA-N -2 0 311.359 1.770 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1Cl ZINC000832954502 601192982 /nfs/dbraw/zinc/19/29/82/601192982.db2.gz HTGDMEZFVFKKEO-IUCAKERBSA-N -2 0 317.750 1.174 20 0 DDADRL C[C@@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)C[C@@H]1C(=O)[O-] ZINC000828403305 601760726 /nfs/dbraw/zinc/76/07/26/601760726.db2.gz TZDQFKWBZHRRJA-APPZFPTMSA-N -2 0 306.343 1.909 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc2n[nH]cc2c1 ZINC000833345410 601769393 /nfs/dbraw/zinc/76/93/93/601769393.db2.gz BDCBISKQXAAZPM-UHFFFAOYSA-N -2 0 324.343 1.518 20 0 DDADRL CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)c1 ZINC000825963555 601783194 /nfs/dbraw/zinc/78/31/94/601783194.db2.gz BWNNSHIEPRPKRP-UHFFFAOYSA-N -2 0 322.342 1.727 20 0 DDADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC12CCC2 ZINC000833348182 601971916 /nfs/dbraw/zinc/97/19/16/601971916.db2.gz OWHJGVDWALUXCL-ZETCQYMHSA-N -2 0 315.372 1.441 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-])c(F)cc1F ZINC000832902796 602198707 /nfs/dbraw/zinc/19/87/07/602198707.db2.gz IQSYGHRJIDOUSG-SSDOTTSWSA-N -2 0 321.301 1.189 20 0 DDADRL O=C([O-])NCCCNC(=O)c1cccc(Br)c1[O-] ZINC000740655752 602458593 /nfs/dbraw/zinc/45/85/93/602458593.db2.gz RFWLNVSBZHAUTH-UHFFFAOYSA-N -2 0 317.139 1.542 20 0 DDADRL CCC[C@@H](NC(=O)Cc1ccc(NC(=O)[O-])cc1)c1nnn[n-]1 ZINC000826742774 604002675 /nfs/dbraw/zinc/00/26/75/604002675.db2.gz DRQZGVVHELIEPF-LLVKDONJSA-N -2 0 318.337 1.490 20 0 DDADRL C[C@@H](CN(C)C(=O)[O-])C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000824874415 604137871 /nfs/dbraw/zinc/13/78/71/604137871.db2.gz QUKVDJCUNYORBJ-QMMMGPOBSA-N -2 0 320.305 1.214 20 0 DDADRL O=C([O-])N[C@@H]1CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000832381871 604492010 /nfs/dbraw/zinc/49/20/10/604492010.db2.gz NYNLCXADZXLUMA-SNVBAGLBSA-N -2 0 316.317 1.060 20 0 DDADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)c1 ZINC000833494823 604535188 /nfs/dbraw/zinc/53/51/88/604535188.db2.gz NXSNXHAFPVCACT-UHFFFAOYSA-N -2 0 324.362 1.433 20 0 DDADRL CC1(C)CCC[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1 ZINC000833560152 604612756 /nfs/dbraw/zinc/61/27/56/604612756.db2.gz BPTJKAMSBVELAN-SNVBAGLBSA-N -2 0 305.396 1.514 20 0 DDADRL CC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000827525143 605171418 /nfs/dbraw/zinc/17/14/18/605171418.db2.gz YLDGLWRUIMHCRC-JTQLQIEISA-N -2 0 314.363 1.155 20 0 DDADRL CCc1nc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])no1 ZINC000833674394 605305004 /nfs/dbraw/zinc/30/50/04/605305004.db2.gz APRDDJAUVDZNNC-UHFFFAOYSA-N -2 0 315.307 1.341 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CSCN2C(=O)[O-])C1 ZINC000834060942 605307424 /nfs/dbraw/zinc/30/74/24/605307424.db2.gz YQJLNMKFNAWVBR-UWVGGRQHSA-N -2 0 316.379 1.143 20 0 DDADRL Cc1cc(C(=O)[N-]S(=O)(=O)C(C)C)ccc1NC(=O)[O-] ZINC000829961427 605350282 /nfs/dbraw/zinc/35/02/82/605350282.db2.gz GDKSJIBINBNKSE-UHFFFAOYSA-N -2 0 300.336 1.553 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000834065386 605690030 /nfs/dbraw/zinc/69/00/30/605690030.db2.gz LQYNWQXXYKVPEL-VIFPVBQESA-N -2 0 308.290 1.088 20 0 DDADRL O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000834060454 606029673 /nfs/dbraw/zinc/02/96/73/606029673.db2.gz ZQINNQAZNZVTQN-STQMWFEESA-N -2 0 320.345 1.331 20 0 DDADRL CC(C)[C@H](NC(=O)C[C@H](NC(=O)[O-])c1ccccc1)C(=O)[O-] ZINC000833792680 606032270 /nfs/dbraw/zinc/03/22/70/606032270.db2.gz LZYJYGPWIZOSIS-AAEUAGOBSA-N -2 0 308.334 1.611 20 0 DDADRL O=C([O-])c1ccc(CCNC(=O)[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000834282459 606032329 /nfs/dbraw/zinc/03/23/29/606032329.db2.gz AJXBOELGGMHXDL-ZDUSSCGKSA-N -2 0 320.345 1.434 20 0 DDADRL O=C([O-])[C@@H]1CC12CCN(C(=O)[C@@H]1CCCCN1C(=O)[O-])CC2 ZINC000834057856 606033971 /nfs/dbraw/zinc/03/39/71/606033971.db2.gz IEMPEGJBNFULRS-QWRGUYRKSA-N -2 0 310.350 1.232 20 0 DDADRL O=C([O-])[C@H](NC(=O)C[C@@H]1CCCN1C(=O)[O-])c1ccccc1 ZINC000833986975 606047848 /nfs/dbraw/zinc/04/78/48/606047848.db2.gz FJAWTAYJTCKARK-WCQYABFASA-N -2 0 306.318 1.461 20 0 DDADRL O=C([O-])Cc1ccccc1NC(=O)C1CCN(C(=O)[O-])CC1 ZINC000834067657 606052900 /nfs/dbraw/zinc/05/29/00/606052900.db2.gz GDXQQISJGKDTAO-UHFFFAOYSA-N -2 0 306.318 1.642 20 0 DDADRL O=C([O-])/C=C/c1ccc(NC(=O)[C@@H]2COCCN2C(=O)[O-])cc1 ZINC000834061328 606055614 /nfs/dbraw/zinc/05/56/14/606055614.db2.gz SYZBSAJYUHAXEJ-UXONFWTHSA-N -2 0 320.301 1.102 20 0 DDADRL O=C([O-])N[C@H]1CCC[C@@H]1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000834172214 606057690 /nfs/dbraw/zinc/05/76/90/606057690.db2.gz JGGSWESQENSTJX-RYUDHWBXSA-N -2 0 306.318 1.437 20 0 DDADRL O=C([O-])Cn1ccc(NC(=O)Cc2ccc(NC(=O)[O-])cc2)n1 ZINC000834067926 606058757 /nfs/dbraw/zinc/05/87/57/606058757.db2.gz ISLBVXGEQGOSJQ-UHFFFAOYSA-N -2 0 318.289 1.239 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)C2CCN(C(=O)[O-])CC2)c1 ZINC000834064917 606066092 /nfs/dbraw/zinc/06/60/92/606066092.db2.gz GETKVLUFQOTJHD-UHFFFAOYSA-N -2 0 306.318 1.642 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000834066796 606066867 /nfs/dbraw/zinc/06/68/67/606066867.db2.gz WUGJDUDXQFDPBB-CMPLNLGQSA-N -2 0 306.318 1.689 20 0 DDADRL O=C([O-])[C@H](NC(=O)[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1F ZINC000834014051 606068129 /nfs/dbraw/zinc/06/81/29/606068129.db2.gz GATNNLKTYPDKQB-BXKDBHETSA-N -2 0 324.308 1.458 20 0 DDADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccnc1C#N ZINC000318686406 698706954 /nfs/dbraw/zinc/70/69/54/698706954.db2.gz MLAWURBXHVGXLV-UHFFFAOYSA-N -2 0 317.326 1.761 20 0 DDADRL CC(C)C[C@@H](C)S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000788440507 699314004 /nfs/dbraw/zinc/31/40/04/699314004.db2.gz VCNGGBKJNWHSGJ-NXEZZACHSA-N -2 0 309.384 1.049 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1csc(-c2ccccc2)n1 ZINC000816732533 702168344 /nfs/dbraw/zinc/16/83/44/702168344.db2.gz LOJBCGANBXOKPX-UHFFFAOYSA-N -2 0 303.303 1.197 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)C(=O)[N-]OC2CCCCC2)c1 ZINC000817880916 702507572 /nfs/dbraw/zinc/50/75/72/702507572.db2.gz LUYCVKGDTSMWTJ-UHFFFAOYSA-N -2 0 320.345 1.633 20 0 DDADRL CC(C)(C)CS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000823766484 705313036 /nfs/dbraw/zinc/31/30/36/705313036.db2.gz OSRFFHBNCIQFOZ-UWVGGRQHSA-N -2 0 320.411 1.305 20 0 DDADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)CCC(F)(F)F ZINC000863961321 706047011 /nfs/dbraw/zinc/04/70/11/706047011.db2.gz LRIYJBNBAJXSQT-UHFFFAOYSA-N -2 0 305.274 1.030 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000863955706 706046142 /nfs/dbraw/zinc/04/61/42/706046142.db2.gz VTBFGNLAVPVMOM-JQWIXIFHSA-N -2 0 313.375 1.550 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])c(F)cc1F ZINC000863957117 706046328 /nfs/dbraw/zinc/04/63/28/706046328.db2.gz SWAWLJMBEMZVJT-UHFFFAOYSA-N -2 0 321.301 1.189 20 0 DDADRL Cc1ccccc1CS(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCC1 ZINC000863960971 706046851 /nfs/dbraw/zinc/04/68/51/706046851.db2.gz GKDOSFQOZUFCBQ-UHFFFAOYSA-N -2 0 311.359 1.196 20 0 DDADRL Cc1c(F)cccc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910181552 709800635 /nfs/dbraw/zinc/80/06/35/709800635.db2.gz CHZGJAFSMNBVCR-JOYOIKCWSA-N -2 0 309.293 1.524 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC000910184486 709801503 /nfs/dbraw/zinc/80/15/03/709801503.db2.gz ROKMZCGQQRZWSJ-DGTMBMJNSA-N -2 0 323.389 1.979 20 0 DDADRL CN(C)c1cccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910186896 709802315 /nfs/dbraw/zinc/80/23/15/709802315.db2.gz WSBOSNUPFBKDEN-AAEUAGOBSA-N -2 0 320.345 1.143 20 0 DDADRL Cc1cccc(CCC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910187429 709803014 /nfs/dbraw/zinc/80/30/14/709803014.db2.gz CVYGXSFWMXBRHZ-KBPBESRZSA-N -2 0 319.357 1.704 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CC2CCSCC2)C1 ZINC000910190604 709804406 /nfs/dbraw/zinc/80/44/06/709804406.db2.gz ALRSTGVKUMLTNA-GHMZBOCLSA-N -2 0 315.391 1.296 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CSC(F)(F)F)C1 ZINC000910190427 709804670 /nfs/dbraw/zinc/80/46/70/709804670.db2.gz WMTOKQKEKKOLFB-WDSKDSINSA-N -2 0 315.269 1.016 20 0 DDADRL C[C@H]1CN(C(=O)C2(C(=O)[O-])CCCCCC2)CC[C@@H]1C(=O)[O-] ZINC000902174911 710648553 /nfs/dbraw/zinc/64/85/53/710648553.db2.gz CGLCKNBEBUNIGT-RYUDHWBXSA-N -2 0 311.378 1.981 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CC(=O)[O-])C1CCCC1 ZINC000906005786 712218751 /nfs/dbraw/zinc/21/87/51/712218751.db2.gz VJEGWNLYGQHJIK-CBAPKCEASA-N -2 0 317.329 1.890 20 0 DDADRL Cc1nc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)oc1C ZINC001167296947 733075065 /nfs/dbraw/zinc/07/50/65/733075065.db2.gz CMUBZRAXOSFPHY-UHFFFAOYSA-N -2 0 315.289 1.602 20 0 DDADRL Cc1ccc([N-]S(=O)(=O)c2cncc(N)c2)cc1C(=O)[O-] ZINC001211599157 735168790 /nfs/dbraw/zinc/16/87/90/735168790.db2.gz CLNXWKVVZHQEII-UHFFFAOYSA-N -2 0 307.331 1.471 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])N[C@H]1CCCc2ccccc21 ZINC001186477054 744400902 /nfs/dbraw/zinc/40/09/02/744400902.db2.gz WKWHZHLFNWBYEA-LBPRGKRZSA-N -2 0 314.278 1.473 20 0 DDADRL CCOCc1ccc(C(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001187111378 744499013 /nfs/dbraw/zinc/49/90/13/744499013.db2.gz JLKTVBGKZFTWGH-UHFFFAOYSA-N -2 0 303.251 1.062 20 0 DDADRL O=C(Nc1ncccc1O)c1ccccc1OP(=O)([O-])[O-] ZINC001189861770 745004341 /nfs/dbraw/zinc/00/43/41/745004341.db2.gz ZVDBYWGZNZLCRF-UHFFFAOYSA-N -2 0 310.202 1.511 20 0 DDADRL C[C@H]1OCC[C@H]1CNC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189900204 745048543 /nfs/dbraw/zinc/04/85/43/745048543.db2.gz VDDDMVVHADCIMR-ZJUUUORDSA-N -2 0 315.262 1.313 20 0 DDADRL Cc1cnn(C)c1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192109567 745692289 /nfs/dbraw/zinc/69/22/89/745692289.db2.gz FVCUVCYVUXTKPZ-UHFFFAOYSA-N -2 0 323.374 1.547 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1ccc(F)cc1 ZINC000827897740 759413042 /nfs/dbraw/zinc/41/30/42/759413042.db2.gz FIADBIMDFZWUMF-CMPLNLGQSA-N -2 0 309.293 1.145 20 0 DDADRL Nc1cc(F)ccc1S(=O)(=O)[N-]c1cncc(C(=O)[O-])c1 ZINC001175843790 777924631 /nfs/dbraw/zinc/92/46/31/777924631.db2.gz ZNXZHXIFPMPZSX-UHFFFAOYSA-N -2 0 311.294 1.302 20 0 DDADRL Cc1nc(Cl)cc(C(F)(F)NCCOP(=O)([O-])[O-])n1 ZINC001157787892 864140418 /nfs/dbraw/zinc/14/04/18/864140418.db2.gz VHJWSFYYZTWABY-UHFFFAOYSA-N -2 0 317.616 1.187 20 0 DDADRL CCOCc1cnc(Cl)nc1NCCOP(=O)([O-])[O-] ZINC001157791128 864143835 /nfs/dbraw/zinc/14/38/35/864143835.db2.gz JGHDHAZYFFDDAJ-UHFFFAOYSA-N -2 0 311.662 1.188 20 0 DDADRL O=P([O-])([O-])OCCNC(F)(F)c1nc(Cl)ccc1F ZINC001157791700 864145813 /nfs/dbraw/zinc/14/58/13/864145813.db2.gz QTCUTGVDAPJOMK-UHFFFAOYSA-N -2 0 320.591 1.622 20 0 DDADRL CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1C[C@@H]2Oc1nc(=O)[n-]c(=O)[nH]1 ZINC001227566526 883084307 /nfs/dbraw/zinc/08/43/07/883084307.db2.gz HELXMOGBZQWHRG-HLTSFMKQSA-N -2 0 324.337 1.060 20 0 DDADRL CC[C@@H](CC(=O)OC)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234331567 887868412 /nfs/dbraw/zinc/86/84/12/887868412.db2.gz HJZMLMZGAAPXNK-VIFPVBQESA-N -2 0 304.235 1.879 20 0 DDADRL CC(=O)N1CC[C@@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234331544 887868817 /nfs/dbraw/zinc/86/88/17/887868817.db2.gz GYNGXLSZBYGONQ-GFCCVEGCSA-N -2 0 301.235 1.158 20 0 DDADRL O=C([O-])CC[C@@H](O)C(=O)Oc1ccc2[n-]c(=S)sc2c1 ZINC001234424670 887957810 /nfs/dbraw/zinc/95/78/10/887957810.db2.gz MKZHCZHTEVDSSE-MRVPVSSYSA-N -2 0 313.356 1.716 20 0 DDADRL CNC(=O)c1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])ccn1 ZINC001241431129 891164239 /nfs/dbraw/zinc/16/42/39/891164239.db2.gz VOBMOXJSCWCSAN-UHFFFAOYSA-N -2 0 300.270 1.505 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2nccc3c2OCC(=O)N3)c1 ZINC001242158914 891354902 /nfs/dbraw/zinc/35/49/02/891354902.db2.gz BWAKGTKUKXVXTD-UHFFFAOYSA-N -2 0 314.253 1.476 20 0 DDADRL O=C([O-])Cc1ccc(F)c(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001245320126 892078072 /nfs/dbraw/zinc/07/80/72/892078072.db2.gz ZOYJXMMHUWJGLR-UHFFFAOYSA-N -3 0 310.217 1.923 20 0 DDADRL CN1Cc2c(cccc2-c2ccc(P(=O)([O-])[O-])cc2)C1=O ZINC001245629285 892203446 /nfs/dbraw/zinc/20/34/46/892203446.db2.gz WNKJNFGFGYXPCX-UHFFFAOYSA-N -2 0 303.254 1.742 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ncccc2CO)c1 ZINC001260183845 899075675 /nfs/dbraw/zinc/07/56/75/899075675.db2.gz DJKPHSNVHOPTLQ-UHFFFAOYSA-N -2 0 308.315 1.073 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nccn3ccnc23)cc1 ZINC001260222320 899095404 /nfs/dbraw/zinc/09/54/04/899095404.db2.gz VWEDDULRQYUMGG-UHFFFAOYSA-N -2 0 318.314 1.228 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc3cnccn23)cc1 ZINC001260222180 899095466 /nfs/dbraw/zinc/09/54/66/899095466.db2.gz PHGMJCWCOGFSOR-UHFFFAOYSA-N -2 0 318.314 1.228 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2cc([O-])c(F)c(F)c2)cn1C ZINC001260547972 899164215 /nfs/dbraw/zinc/16/42/15/899164215.db2.gz HXYWKLIXBIRPJA-UHFFFAOYSA-N -2 0 303.290 1.513 20 0 DDADRL COC(=O)c1ccc(=N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)[n-]n1 ZINC000593329633 355855238 /nfs/dbraw/zinc/85/52/38/355855238.db2.gz ZNANCMDNAVNIMM-WCQYABFASA-N -2 0 313.313 1.410 20 0 DDADRL CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000280988318 216005752 /nfs/dbraw/zinc/00/57/52/216005752.db2.gz MNBLMKNOKOJYEY-UHFFFAOYSA-N -2 0 312.351 1.371 20 0 DDADRL CS(=O)(=O)Nc1ccccc1NC(=O)[C@H]1CC[C@@H]1C(=O)[O-] ZINC000262198731 203227632 /nfs/dbraw/zinc/22/76/32/203227632.db2.gz SDYVYLGNAXHHPE-IUCAKERBSA-N -2 0 312.347 1.107 20 0 DDADRL C[C@H]1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)C[C@H]1C(=O)[O-] ZINC000570206806 304401491 /nfs/dbraw/zinc/40/14/91/304401491.db2.gz BGYJKUYIFITRHJ-WNYYMSAVSA-N -2 0 312.366 1.382 20 0 DDADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)NCCC(=O)[O-])n2)cc1 ZINC000262282786 407784386 /nfs/dbraw/zinc/78/43/86/407784386.db2.gz WXAPMOZSORUFRX-UHFFFAOYSA-N -2 0 317.345 1.906 20 0 DDADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000270432593 408533038 /nfs/dbraw/zinc/53/30/38/408533038.db2.gz OWSRIOPFMPZXTH-UHFFFAOYSA-N -2 0 313.335 1.383 20 0 DDADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c1 ZINC000358558971 410481856 /nfs/dbraw/zinc/48/18/56/410481856.db2.gz ZLZUQEAPGXJAKF-UHFFFAOYSA-N -2 0 321.358 1.780 20 0 DDADRL O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC000647734003 423019349 /nfs/dbraw/zinc/01/93/49/423019349.db2.gz ODXHDJQJFZVVSI-SNVBAGLBSA-N -2 0 306.318 1.497 20 0 DDADRL COc1ccc([O-])c(C(=O)N=c2cc(C(F)(F)F)[n-][nH]2)c1 ZINC000448514337 420858073 /nfs/dbraw/zinc/85/80/73/420858073.db2.gz MGZVQUJMQINPBE-UHFFFAOYSA-N -2 0 301.224 1.817 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1c(C)ccc(F)c1C(=O)[O-] ZINC000547558191 421343149 /nfs/dbraw/zinc/34/31/49/421343149.db2.gz VSSPJEAHQDVJDR-UHFFFAOYSA-N -2 0 313.310 1.665 20 0 DDADRL CC(C)(C)CCS(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000547599117 421345291 /nfs/dbraw/zinc/34/52/91/421345291.db2.gz ZBTJWKLJARFJOA-CYBMUJFWSA-N -2 0 321.395 1.004 20 0 DDADRL CCC(CC)CS(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000548253120 421414274 /nfs/dbraw/zinc/41/42/74/421414274.db2.gz ZSWJWGWREBGMMA-CYBMUJFWSA-N -2 0 321.395 1.004 20 0 DDADRL CS[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000563071741 421450485 /nfs/dbraw/zinc/45/04/85/421450485.db2.gz HNDVAFQYQYQVDJ-NXEZZACHSA-N -2 0 319.404 1.930 20 0 DDADRL Cc1cc(=O)[nH]c([C@H](C)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)n1 ZINC000521257448 421779906 /nfs/dbraw/zinc/77/99/06/421779906.db2.gz JWITYSYGNSFTSO-UFBFGSQYSA-N -2 0 319.283 1.891 20 0 DDADRL O=C(N=c1nc(C2CCOCC2)[n-]s1)c1ccc([O-])cc1F ZINC000629101992 422476987 /nfs/dbraw/zinc/47/69/87/422476987.db2.gz NNXMNUSLVQHCGZ-UHFFFAOYSA-N -2 0 323.349 1.951 20 0 DDADRL CC(C)c1n[n-]c(=NC(=O)c2ccc3oc(=O)nc-3[n-]2)s1 ZINC000646632840 423554943 /nfs/dbraw/zinc/55/49/43/423554943.db2.gz UYSDJJBKKJPDJK-UHFFFAOYSA-N -2 0 305.319 1.578 20 0 DDADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000345689777 272304912 /nfs/dbraw/zinc/30/49/12/272304912.db2.gz KGEJSMUIQYNSSX-UHFFFAOYSA-N -2 0 315.278 1.932 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1C ZINC000362436154 300062865 /nfs/dbraw/zinc/06/28/65/300062865.db2.gz ZAQBZGHZOFOMME-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c[nH]1 ZINC000534147210 303327259 /nfs/dbraw/zinc/32/72/59/303327259.db2.gz NSYDNYZHHODMCE-UHFFFAOYSA-N -2 0 313.310 1.665 20 0 DDADRL C[C@@H]([C@@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-])C1CC1 ZINC000548866743 303594152 /nfs/dbraw/zinc/59/41/52/303594152.db2.gz SIAWUJBMZHOQQN-GKROBHDKSA-N -2 0 303.302 1.356 20 0 DDADRL O=C([O-])c1ccc(CNC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1 ZINC000663020787 484605779 /nfs/dbraw/zinc/60/57/79/484605779.db2.gz FLKYWWJNTWQMOF-ZDUSSCGKSA-N -2 0 305.330 1.892 20 0 DDADRL O=C([O-])CC1(NC(=O)c2cccc(C(=O)[O-])c2)CCOCC1 ZINC000663122451 484686311 /nfs/dbraw/zinc/68/63/11/484686311.db2.gz IXUYNMXAOWMFJA-UHFFFAOYSA-N -2 0 307.302 1.139 20 0 DDADRL Cc1cn(C)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000663264357 484771847 /nfs/dbraw/zinc/77/18/47/484771847.db2.gz KEMLFLOONUZEOZ-UHFFFAOYSA-N -2 0 315.376 1.597 20 0 DDADRL O=C(c1c([O-])cc(F)cc1F)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000665490470 484886515 /nfs/dbraw/zinc/88/65/15/484886515.db2.gz DYTFYRKQYUIZNA-SSDOTTSWSA-N -2 0 324.287 1.514 20 0 DDADRL Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1 ZINC000738607164 599739452 /nfs/dbraw/zinc/73/94/52/599739452.db2.gz WTZXGULGEYJCCT-UHFFFAOYSA-N -2 0 313.310 1.216 20 0 DDADRL Cc1nn(C)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1C ZINC000738919312 599967110 /nfs/dbraw/zinc/96/71/10/599967110.db2.gz UOZRTRVWHLIERW-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL Cc1ccc2c(n1)[n-]cc(C(=O)Nc1cc(C(=O)[O-])ccn1)c2=O ZINC000738666786 600452224 /nfs/dbraw/zinc/45/22/24/600452224.db2.gz XQIHCOAQNBODQM-UHFFFAOYSA-N -2 0 324.296 1.989 20 0 DDADRL CC(C)c1cc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)on1 ZINC000736515680 600630152 /nfs/dbraw/zinc/63/01/52/600630152.db2.gz PQECGRHHJMNJGH-UHFFFAOYSA-N -2 0 310.335 1.919 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)c[nH]1 ZINC000049235738 600976137 /nfs/dbraw/zinc/97/61/37/600976137.db2.gz XPAZQQBHPFLCTN-UHFFFAOYSA-N -2 0 313.360 1.848 20 0 DDADRL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000832952948 601251799 /nfs/dbraw/zinc/25/17/99/601251799.db2.gz IGEHODDZBHYCBS-UHFFFAOYSA-N -2 0 323.326 1.905 20 0 DDADRL COc1ccc([C@H]([N-]C(=O)C(F)(F)C(F)F)C(=O)[O-])cc1 ZINC000832240697 601283939 /nfs/dbraw/zinc/28/39/39/601283939.db2.gz GFKHSRWNARXYME-QMMMGPOBSA-N -2 0 309.215 1.838 20 0 DDADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c1 ZINC000826924872 601338438 /nfs/dbraw/zinc/33/84/38/601338438.db2.gz SXSKPQHPEPKTIW-UHFFFAOYSA-N -2 0 324.362 1.433 20 0 DDADRL C/C(=C/COC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC000825780713 601410355 /nfs/dbraw/zinc/41/03/55/601410355.db2.gz HKTYBVCOJTXQFL-CLFYSBASSA-N -2 0 313.331 1.246 20 0 DDADRL COc1ncccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000832659691 601835792 /nfs/dbraw/zinc/83/57/92/601835792.db2.gz KPEJCBRLHBZVJS-UHFFFAOYSA-N -2 0 315.332 1.046 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000833346321 601838938 /nfs/dbraw/zinc/83/89/38/601838938.db2.gz NMZHJXPRRATTEA-UHFFFAOYSA-N -2 0 320.298 1.920 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@H](NC(=O)[O-])C(C)C ZINC000736895080 602748003 /nfs/dbraw/zinc/74/80/03/602748003.db2.gz MKGUMYCGONUFJI-SNVBAGLBSA-N -2 0 308.400 1.161 20 0 DDADRL C[C@@H](CC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)NC(=O)[O-] ZINC000824557664 603278737 /nfs/dbraw/zinc/27/87/37/603278737.db2.gz ILAWKWQLLSPAHA-ZETCQYMHSA-N -2 0 324.362 1.402 20 0 DDADRL O=C([O-])c1cn(CC(=O)Nc2ccc3[n-]c(=S)oc3c2)nn1 ZINC000833121805 604340574 /nfs/dbraw/zinc/34/05/74/604340574.db2.gz PPCZDQNWQHEABS-UHFFFAOYSA-N -2 0 319.302 1.045 20 0 DDADRL C[C@@H](NC(=O)[O-])c1ccc(CN=c2ncnc3[nH][nH]cc2-3)cc1 ZINC000825401378 604345470 /nfs/dbraw/zinc/34/54/70/604345470.db2.gz CRLJJQVTXCFELM-SECBINFHSA-N -2 0 312.333 1.667 20 0 DDADRL CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000826793800 604370495 /nfs/dbraw/zinc/37/04/95/604370495.db2.gz SDAVXIPQGBPATD-WDEREUQCSA-N -2 0 300.355 1.382 20 0 DDADRL O=C([O-])Nc1ccc(NC(=O)C(=O)[N-]OCC(F)(F)F)cc1 ZINC000833286888 604425451 /nfs/dbraw/zinc/42/54/51/604425451.db2.gz YOOHNQOUABBBGO-UHFFFAOYSA-N -2 0 321.211 1.325 20 0 DDADRL O=C([O-])C[C@H]1CCCN1C(=O)CSc1n[n-]c(=S)s1 ZINC000833208067 604752931 /nfs/dbraw/zinc/75/29/31/604752931.db2.gz UUSXRVPEZNFVIC-ZCFIWIBFSA-N -2 0 319.433 1.385 20 0 DDADRL O=C([O-])Cn1cc(NC(=O)c2cc(F)cc(Cl)c2[O-])cn1 ZINC000833273202 604944086 /nfs/dbraw/zinc/94/40/86/604944086.db2.gz BECLJCZCKFOYIQ-UHFFFAOYSA-N -2 0 313.672 1.718 20 0 DDADRL CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000833508584 605162133 /nfs/dbraw/zinc/16/21/33/605162133.db2.gz NKNQDOIIEUSIFJ-HAQNSBGRSA-N -2 0 319.423 1.760 20 0 DDADRL COc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ncn1 ZINC000833728917 605266838 /nfs/dbraw/zinc/26/68/38/605266838.db2.gz FLBDCFUTWHADNH-UHFFFAOYSA-N -2 0 315.332 1.046 20 0 DDADRL CCC[C@@H](NC(=O)CN(C(=O)[O-])c1ccccc1)c1nnn[n-]1 ZINC000826742848 605772175 /nfs/dbraw/zinc/77/21/75/605772175.db2.gz GCPZLQUVFNBLHH-LLVKDONJSA-N -2 0 318.337 1.342 20 0 DDADRL O=C([O-])N1CCCN1C(=O)c1cccc(Br)c1[O-] ZINC000834112287 605981797 /nfs/dbraw/zinc/98/17/97/605981797.db2.gz QWOJNOKJUFEFPM-UHFFFAOYSA-N -2 0 315.123 1.896 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)C1 ZINC000834163626 606035253 /nfs/dbraw/zinc/03/52/53/606035253.db2.gz LMOPFMKZWDUZGY-MXWKQRLJSA-N -2 0 310.350 1.136 20 0 DDADRL O=C([O-])N1CC[C@H](C(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)C1 ZINC000834014132 606049643 /nfs/dbraw/zinc/04/96/43/606049643.db2.gz HIWMLIOPYFISOL-MEDUHNTESA-N -2 0 318.329 1.029 20 0 DDADRL Cc1oc(CN(C)C(=O)[C@@H]2CCCN(C(=O)[O-])C2)cc1C(=O)[O-] ZINC000833935513 606055212 /nfs/dbraw/zinc/05/52/12/606055212.db2.gz QOPZZBRBWJOGHJ-SNVBAGLBSA-N -2 0 324.333 1.635 20 0 DDADRL Cc1oc(CN(C)C(=O)[C@@H](C)CN(C)C(=O)[O-])cc1C(=O)[O-] ZINC000833934287 606055254 /nfs/dbraw/zinc/05/52/54/606055254.db2.gz FBVIUHPWWLIXKJ-QMMMGPOBSA-N -2 0 312.322 1.491 20 0 DDADRL O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000834186880 606112352 /nfs/dbraw/zinc/11/23/52/606112352.db2.gz VRECVCSBZQYDSP-SDDRHHMPSA-N -2 0 312.366 1.526 20 0 DDADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-] ZINC000863955183 706045749 /nfs/dbraw/zinc/04/57/49/706045749.db2.gz CPDKMLSFCXYQQQ-NSHDSACASA-N -2 0 313.375 1.839 20 0 DDADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000863954856 706045859 /nfs/dbraw/zinc/04/58/59/706045859.db2.gz OWVIIRUWFQBFAX-UHFFFAOYSA-N -2 0 320.754 1.185 20 0 DDADRL CCc1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)cc1 ZINC000863959181 706046712 /nfs/dbraw/zinc/04/67/12/706046712.db2.gz WNVDHLZXSYNHTC-UHFFFAOYSA-N -2 0 323.370 1.475 20 0 DDADRL Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CC2)cc1 ZINC000863961477 706047133 /nfs/dbraw/zinc/04/71/33/706047133.db2.gz MMISCAAHTWWPEV-GFCCVEGCSA-N -2 0 311.359 1.052 20 0 DDADRL Cc1cc(C)c(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CC2)s1 ZINC000863964630 706047778 /nfs/dbraw/zinc/04/77/78/706047778.db2.gz YGSSZAMIQKURKF-SECBINFHSA-N -2 0 317.388 1.281 20 0 DDADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC000863964441 706047781 /nfs/dbraw/zinc/04/77/81/706047781.db2.gz JREMDFFDMJLJIE-UHFFFAOYSA-N -2 0 313.322 1.121 20 0 DDADRL O=C([O-])C[C@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)CCO1 ZINC000909266949 712978418 /nfs/dbraw/zinc/97/84/18/712978418.db2.gz YSBYQZLCLSIIQV-QMMMGPOBSA-N -2 0 317.700 1.500 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccn2ccccc12 ZINC000910181201 709800486 /nfs/dbraw/zinc/80/04/86/709800486.db2.gz ABUAEQXHMFOVSF-GXFFZTMASA-N -2 0 316.313 1.329 20 0 DDADRL CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910185178 709801459 /nfs/dbraw/zinc/80/14/59/709801459.db2.gz VHYDMINNOSLHRS-NNYUYHANSA-N -2 0 311.378 1.835 20 0 DDADRL Cc1cc(C)cc(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910184598 709801721 /nfs/dbraw/zinc/80/17/21/709801721.db2.gz UPDSPQOMDBOTKC-KBPBESRZSA-N -2 0 319.357 1.622 20 0 DDADRL C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC000910192477 709805690 /nfs/dbraw/zinc/80/56/90/709805690.db2.gz QVDXOZKRXQTLBW-XHVZSJERSA-N -2 0 323.320 1.706 20 0 DDADRL CN(Cc1nc(=O)o[n-]1)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000911451964 710805222 /nfs/dbraw/zinc/80/52/22/710805222.db2.gz IEBFUUVIBGTORE-UHFFFAOYSA-N -2 0 317.223 1.360 20 0 DDADRL O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000911636056 710894746 /nfs/dbraw/zinc/89/47/46/710894746.db2.gz MGFJTESLSYWHOB-ZJUUUORDSA-N -2 0 317.700 1.235 20 0 DDADRL CSC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000906004686 712218384 /nfs/dbraw/zinc/21/83/84/712218384.db2.gz JGVBAUUVRFWMKZ-MRVPVSSYSA-N -2 0 311.331 1.059 20 0 DDADRL CCOC(=O)c1sc(S(=O)(=O)[N-][C@@H]2[CH]CC=C2)nc1C ZINC001184988064 744139416 /nfs/dbraw/zinc/13/94/16/744139416.db2.gz PTXZHIWJSHEGNO-VIFPVBQESA-N -2 0 315.396 1.439 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1ccoc1C(F)(F)F ZINC001187724675 744597120 /nfs/dbraw/zinc/59/71/20/744597120.db2.gz AQASWVFPHRVJIH-UHFFFAOYSA-N -2 0 303.129 1.138 20 0 DDADRL O=C([O-])CCC(=O)CNC(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188588575 744732783 /nfs/dbraw/zinc/73/27/83/744732783.db2.gz TUQPODGKWDMIQV-UHFFFAOYSA-N -2 0 319.235 1.575 20 0 DDADRL CC(C)Cc1ccc(C(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001192474166 745790188 /nfs/dbraw/zinc/79/01/88/745790188.db2.gz GWDLYXQUOYGNTE-UHFFFAOYSA-N -2 0 301.279 1.724 20 0 DDADRL CNC(=O)c1ccc(OC)c(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001205174696 746623966 /nfs/dbraw/zinc/62/39/66/746623966.db2.gz YISOCULSJMCTSA-UHFFFAOYSA-N -2 0 321.269 1.525 20 0 DDADRL Cc1nc(C(F)(F)F)nc(NCCOP(=O)([O-])[O-])c1C ZINC001168585708 751174487 /nfs/dbraw/zinc/17/44/87/751174487.db2.gz CSEAJUXHPUOJQH-UHFFFAOYSA-N -2 0 315.188 1.633 20 0 DDADRL CC(=O)Oc1c[nH]c2cc(NCCOP(=O)([O-])[O-])ccc12 ZINC001168592184 751226214 /nfs/dbraw/zinc/22/62/14/751226214.db2.gz MAVOJVXDEUGMLH-UHFFFAOYSA-N -2 0 314.234 1.614 20 0 DDADRL O=P([O-])([O-])OCCNc1cccc2c1CCC21OCCO1 ZINC001168596178 751270914 /nfs/dbraw/zinc/27/09/14/751270914.db2.gz QMWHLBCRYSIAOG-UHFFFAOYSA-N -2 0 315.262 1.354 20 0 DDADRL NC(=O)c1ncccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236991 778087361 /nfs/dbraw/zinc/08/73/61/778087361.db2.gz DKSLRLSFNXKIDB-UHFFFAOYSA-N -2 0 301.258 1.321 20 0 DDADRL O=C(Nn1c(=O)[n-][nH]c1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001412181163 854304312 /nfs/dbraw/zinc/30/43/12/854304312.db2.gz NPWKZQXQQCGKBX-UHFFFAOYSA-N -2 0 305.077 1.086 20 0 DDADRL COC(=O)Cc1nc(NC(=O)c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001361918976 882640146 /nfs/dbraw/zinc/64/01/46/882640146.db2.gz VNEXBTMANLDVMM-UHFFFAOYSA-N -2 0 310.697 1.132 20 0 DDADRL O=C([O-])CNC(=O)c1ccc(Nc2ccc(C(=O)[O-])nc2)cc1 ZINC001210177691 875258680 /nfs/dbraw/zinc/25/86/80/875258680.db2.gz XQXAJNZROGTMSB-UHFFFAOYSA-N -2 0 315.285 1.338 20 0 DDADRL CC[C@@H](C)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1 ZINC001227330772 882972839 /nfs/dbraw/zinc/97/28/39/882972839.db2.gz RJXBVMJQCKICPK-BXKDBHETSA-N -2 0 318.262 1.576 20 0 DDADRL C[C@H](O)CCCC(=O)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234332739 887873315 /nfs/dbraw/zinc/87/33/15/887873315.db2.gz RHMKODQXYQZHEO-VIFPVBQESA-N -2 0 304.235 1.615 20 0 DDADRL CC(C)n1nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1=O ZINC001242163642 891358791 /nfs/dbraw/zinc/35/87/91/891358791.db2.gz DNXNNRDCJGADQX-UHFFFAOYSA-N -2 0 302.286 1.888 20 0 DDADRL CS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)C(F)(F)F)c1 ZINC001252354915 895102218 /nfs/dbraw/zinc/10/22/18/895102218.db2.gz GFKHXKFNRSXUKR-UHFFFAOYSA-N -2 0 319.282 1.057 20 0 DDADRL O=c1cc([N-]S(=O)(=O)c2cc(F)ccc2F)nc(Cl)[n-]1 ZINC001258942491 898371832 /nfs/dbraw/zinc/37/18/32/898371832.db2.gz RWCDUODBUSUASK-UHFFFAOYSA-N -2 0 321.692 1.915 20 0 DDADRL Cc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)c(O)c2)c(C)c1 ZINC001259103623 898471010 /nfs/dbraw/zinc/47/10/10/898471010.db2.gz POZMDBNVSKKGIP-UHFFFAOYSA-N -2 0 320.370 1.909 20 0 DDADRL O=S(=O)([O-])c1ccc([N-]S(=O)(=O)c2ccccn2)cc1 ZINC001259288563 898586184 /nfs/dbraw/zinc/58/61/84/898586184.db2.gz WVKGZXPWNVFBPM-UHFFFAOYSA-N -2 0 314.344 1.129 20 0 DDADRL CC(C)n1cnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001260184293 899076510 /nfs/dbraw/zinc/07/65/10/899076510.db2.gz FNHUOLZXFSHIER-UHFFFAOYSA-N -2 0 309.347 1.963 20 0 DDADRL COc1nc(C)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184190 899077408 /nfs/dbraw/zinc/07/74/08/899077408.db2.gz WXNJGTHXAYOABW-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL O=C([O-])c1ccc(C(=O)[O-])c(NS(=O)(=O)CCCCF)c1 ZINC001261834889 899783147 /nfs/dbraw/zinc/78/31/47/899783147.db2.gz ZCPOVHDRTJALHK-UHFFFAOYSA-N -2 0 319.310 1.574 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c1 ZINC000092890133 185348081 /nfs/dbraw/zinc/34/80/81/185348081.db2.gz FAMAYCZMCNDXKN-UHFFFAOYSA-N -2 0 309.347 1.331 20 0 DDADRL CC(C)[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000236779270 202005007 /nfs/dbraw/zinc/00/50/07/202005007.db2.gz HPPZOOAMLFMQGB-LBPRGKRZSA-N -2 0 303.318 1.417 20 0 DDADRL CN(Cc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000275190700 212185280 /nfs/dbraw/zinc/18/52/80/212185280.db2.gz XTBJKOWFGHCZRS-STQMWFEESA-N -2 0 320.345 1.346 20 0 DDADRL Cn1nccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000266443312 205350292 /nfs/dbraw/zinc/35/02/92/205350292.db2.gz NFBFTIMNXKIOOA-UHFFFAOYSA-N -2 0 323.374 1.583 20 0 DDADRL CC(C)n1nccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000019987584 182174406 /nfs/dbraw/zinc/17/44/06/182174406.db2.gz CVJPERBUIBWDIU-UHFFFAOYSA-N -2 0 309.347 1.963 20 0 DDADRL O=C([O-])[C@]1(NC(=O)c2ccc([O-])c(Cl)c2)CCSC1 ZINC000043503709 183368044 /nfs/dbraw/zinc/36/80/44/183368044.db2.gz CRQPFSXGOVOSRF-LBPRGKRZSA-N -2 0 301.751 1.736 20 0 DDADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000352432877 285047376 /nfs/dbraw/zinc/04/73/76/285047376.db2.gz VGGQDXIRVDXAIC-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CCc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C)cc1C(=O)[O-] ZINC000178619579 407513465 /nfs/dbraw/zinc/51/34/65/407513465.db2.gz WRSNYPAYIWPJAF-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000274955147 408574456 /nfs/dbraw/zinc/57/44/56/408574456.db2.gz UCMCONGTUJRDQM-MRVPVSSYSA-N -2 0 323.802 1.160 20 0 DDADRL Cn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC000231657465 163350098 /nfs/dbraw/zinc/35/00/98/163350098.db2.gz CUPUUHBWEJLISA-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1 ZINC000347237812 410410936 /nfs/dbraw/zinc/41/09/36/410410936.db2.gz AAYPPUBMQWRCBH-UHFFFAOYSA-N -2 0 307.331 1.471 20 0 DDADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cnn(C)c2)c1 ZINC000356487723 411051784 /nfs/dbraw/zinc/05/17/84/411051784.db2.gz XSNBFRFDHFYAPU-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000647778988 423043167 /nfs/dbraw/zinc/04/31/67/423043167.db2.gz KOXSFIHAYHGSLL-MNOVXSKESA-N -2 0 315.329 1.561 20 0 DDADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3ncc[nH]3)ccc12 ZINC000647923497 423117795 /nfs/dbraw/zinc/11/77/95/423117795.db2.gz FCANGQKDCVIQOV-UHFFFAOYSA-N -2 0 306.303 1.390 20 0 DDADRL CN(c1cccc(CCC(=O)[O-])c1)S(=O)(=O)c1ncc[n-]1 ZINC000647923883 423118039 /nfs/dbraw/zinc/11/80/39/423118039.db2.gz BROBNNZVUBPTSY-UHFFFAOYSA-N -2 0 309.347 1.252 20 0 DDADRL CC[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O)OC ZINC000421160537 419510286 /nfs/dbraw/zinc/51/02/86/419510286.db2.gz YMWLBABHOSPRFM-VIFPVBQESA-N -2 0 303.336 1.257 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C ZINC000547935650 421380398 /nfs/dbraw/zinc/38/03/98/421380398.db2.gz LTWJEOQFICOWKV-BQBZGAKWSA-N -2 0 305.318 1.746 20 0 DDADRL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)[C@@H](C)C(F)(F)F ZINC000548220241 421412326 /nfs/dbraw/zinc/41/23/26/421412326.db2.gz ZGZIIAHTUXVAPG-SFYZADRCSA-N -2 0 305.318 1.890 20 0 DDADRL C[C@@](O)(CNC(=O)c1c([O-])cc(Cl)cc1Cl)C(=O)[O-] ZINC000563958306 421561573 /nfs/dbraw/zinc/56/15/73/421561573.db2.gz URLNQIRCXXJUKL-LLVKDONJSA-N -2 0 308.117 1.264 20 0 DDADRL CC(C)C[C@H](CNC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)C(=O)[O-] ZINC000572638246 421808207 /nfs/dbraw/zinc/80/82/07/421808207.db2.gz WVNMELAQDRSSGH-TUAOUCFPSA-N -2 0 314.382 1.486 20 0 DDADRL COc1ccc(O)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000345676814 272302295 /nfs/dbraw/zinc/30/22/95/272302295.db2.gz NZEAGHMZYNZHME-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000663136612 484695096 /nfs/dbraw/zinc/69/50/96/484695096.db2.gz YDAOHZLCJPWDOE-STQMWFEESA-N -2 0 305.330 1.554 20 0 DDADRL CC(C)(CNC(=O)CSc1n[n-]c(=S)s1)C(=O)[O-] ZINC000826561610 601706914 /nfs/dbraw/zinc/70/69/14/601706914.db2.gz FBUOLTJTLPGTQQ-UHFFFAOYSA-N -2 0 307.422 1.146 20 0 DDADRL CC(C)C[C@@H](NC(=O)CSc1n[n-]c(=S)s1)C(=O)[O-] ZINC000817865872 597033445 /nfs/dbraw/zinc/03/34/45/597033445.db2.gz WCGZCKUEUSGHMT-ZCFIWIBFSA-N -2 0 321.449 1.534 20 0 DDADRL Cc1cccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC000035296003 600246165 /nfs/dbraw/zinc/24/61/65/600246165.db2.gz ZQZKPBCUOUYRQL-UHFFFAOYSA-N -2 0 306.343 1.818 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(C(F)F)cc1 ZINC000739693020 600460016 /nfs/dbraw/zinc/46/00/16/600460016.db2.gz UMKWJEVSDQBGPM-UHFFFAOYSA-N -2 0 321.301 1.549 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC000166559266 600636709 /nfs/dbraw/zinc/63/67/09/600636709.db2.gz JFMJABFZQDFTRD-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL CCc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1 ZINC000830299469 600827839 /nfs/dbraw/zinc/82/78/39/600827839.db2.gz QLKUWYPHWKZBKT-UHFFFAOYSA-N -2 0 315.376 1.543 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cccc2cc[nH]c21 ZINC000833228706 600948726 /nfs/dbraw/zinc/94/87/26/600948726.db2.gz VQEDXLFHKWHLEX-UHFFFAOYSA-N -2 0 310.331 1.092 20 0 DDADRL O=C([O-])c1c(F)ccc(S(=O)(=O)N[C@H]2CCSC2)c1F ZINC000231346401 601238993 /nfs/dbraw/zinc/23/89/93/601238993.db2.gz SNMLZEUJUKQNAL-LURJTMIESA-N -2 0 323.342 1.447 20 0 DDADRL C[C@@H](CN(C)C(=O)CSc1n[n-]c(=S)s1)C(=O)[O-] ZINC000827436983 601285284 /nfs/dbraw/zinc/28/52/84/601285284.db2.gz PHQZTCVAZMQRCD-YFKPBYRVSA-N -2 0 307.422 1.098 20 0 DDADRL CCc1nnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)s1 ZINC000232264061 601348192 /nfs/dbraw/zinc/34/81/92/601348192.db2.gz ZUUORWYCECCVSD-UHFFFAOYSA-N -2 0 313.360 1.600 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)o1 ZINC000833323553 601405655 /nfs/dbraw/zinc/40/56/55/601405655.db2.gz NBQYYGKSUZTWJZ-UHFFFAOYSA-N -2 0 308.275 1.050 20 0 DDADRL CCN(CCC(=O)[O-])C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000829701952 601438747 /nfs/dbraw/zinc/43/87/47/601438747.db2.gz VDUYBLCASJQJGM-UHFFFAOYSA-N -2 0 303.318 1.515 20 0 DDADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccccc1F ZINC000833346517 601603157 /nfs/dbraw/zinc/60/31/57/601603157.db2.gz KKQZKRFPHLQOMC-UHFFFAOYSA-N -2 0 302.308 1.781 20 0 DDADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@H]1CC12CCC2 ZINC000833348180 601971912 /nfs/dbraw/zinc/97/19/12/601971912.db2.gz OWHJGVDWALUXCL-SSDOTTSWSA-N -2 0 315.372 1.441 20 0 DDADRL O=C([O-])c1csc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000833343775 602116613 /nfs/dbraw/zinc/11/66/13/602116613.db2.gz NRQQFXFASHEXBF-VIFPVBQESA-N -2 0 305.377 1.757 20 0 DDADRL COc1ccc(O)c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC000832425237 602309743 /nfs/dbraw/zinc/30/97/43/602309743.db2.gz RYWBSJBSCWJKGS-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL O=C([O-])N1CC[C@H](NC(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000831600371 603595266 /nfs/dbraw/zinc/59/52/66/603595266.db2.gz ZQFHEJNLRJSERR-JTQLQIEISA-N -2 0 316.317 1.060 20 0 DDADRL Cn1nccc1S(=O)(=O)[N-]c1cccc2c1CCN2C(=O)[O-] ZINC000831059722 604015021 /nfs/dbraw/zinc/01/50/21/604015021.db2.gz WFQMAUWBGHDTHV-UHFFFAOYSA-N -2 0 322.346 1.261 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000826729472 604188185 /nfs/dbraw/zinc/18/81/85/604188185.db2.gz SRUNYCDPMGBHTC-MFKMUULPSA-N -2 0 320.411 1.259 20 0 DDADRL Cc1cc(NC(=O)C(=O)[N-]OCC(F)(F)F)ccc1C(=O)[O-] ZINC000821009125 604424173 /nfs/dbraw/zinc/42/41/73/604424173.db2.gz WYWQFPRCVHQORJ-UHFFFAOYSA-N -2 0 320.223 1.242 20 0 DDADRL C[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000828016647 604538111 /nfs/dbraw/zinc/53/81/11/604538111.db2.gz NDYTZNBAFSSYJN-OAHLLOKOSA-N -2 0 307.302 1.087 20 0 DDADRL O=C([O-])C1CCC(C(=O)[N-]S(=O)(=O)c2cccs2)CC1 ZINC000833772389 605118101 /nfs/dbraw/zinc/11/81/01/605118101.db2.gz YGOIGHPPAQOBJL-UHFFFAOYSA-N -2 0 317.388 1.444 20 0 DDADRL CC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000827524923 605249849 /nfs/dbraw/zinc/24/98/49/605249849.db2.gz TYSLJASCQOQLJV-ONGXEEELSA-N -2 0 314.363 1.240 20 0 DDADRL CC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833639867 605678478 /nfs/dbraw/zinc/67/84/78/605678478.db2.gz ZJLDICLWCFHZSM-SFYZADRCSA-N -2 0 319.404 1.933 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000834173867 606030406 /nfs/dbraw/zinc/03/04/06/606030406.db2.gz SYORQDBVHDJEOI-YNEHKIRRSA-N -2 0 320.345 1.235 20 0 DDADRL O=C([O-])[C@H]1CC12CCN(C(=O)C[C@@H]1CCCN1C(=O)[O-])CC2 ZINC000834059675 606034110 /nfs/dbraw/zinc/03/41/10/606034110.db2.gz TWEXAODBFWQRBP-WDEREUQCSA-N -2 0 310.350 1.232 20 0 DDADRL CCN(CCC(=O)[O-])C(=O)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833857618 606046866 /nfs/dbraw/zinc/04/68/66/606046866.db2.gz PBMQJDXOFLSYDN-GFCCVEGCSA-N -2 0 308.334 1.709 20 0 DDADRL Cc1oc(CN(C)C(=O)[C@H]2CCCN2C(=O)[O-])cc1C(=O)[O-] ZINC000833934142 606055157 /nfs/dbraw/zinc/05/51/57/606055157.db2.gz AEJBXMYYQMTSAZ-LLVKDONJSA-N -2 0 310.306 1.387 20 0 DDADRL O=C([O-])N[C@H]1CCC[C@H]1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000834172212 606057650 /nfs/dbraw/zinc/05/76/50/606057650.db2.gz JGGSWESQENSTJX-NEPJUHHUSA-N -2 0 306.318 1.437 20 0 DDADRL O=C([O-])C[C@H](NC(=O)CNC(=O)[O-])c1ccc(Cl)cc1 ZINC000834066735 606068279 /nfs/dbraw/zinc/06/82/79/606068279.db2.gz VWUGYCRICLQSQX-VIFPVBQESA-N -2 0 300.698 1.240 20 0 DDADRL O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000834186877 606112313 /nfs/dbraw/zinc/11/23/13/606112313.db2.gz VRECVCSBZQYDSP-GRYCIOLGSA-N -2 0 312.366 1.526 20 0 DDADRL CCCCCC[C@@](C)(NC(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)[O-] ZINC000833854244 606112719 /nfs/dbraw/zinc/11/27/19/606112719.db2.gz WMQLBEUOJMZHKN-XHDPSFHLSA-N -2 0 314.382 1.916 20 0 DDADRL O=C([O-])c1cccc(CCNC(=O)[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000834283389 606114012 /nfs/dbraw/zinc/11/40/12/606114012.db2.gz OFERTJOKOBLGAL-GFCCVEGCSA-N -2 0 306.318 1.043 20 0 DDADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)c(C)c1 ZINC000776427574 698105988 /nfs/dbraw/zinc/10/59/88/698105988.db2.gz QJRILKSUIRDQOO-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL Cc1ccc(/C=C\S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)cc1 ZINC000776428281 698106442 /nfs/dbraw/zinc/10/64/42/698106442.db2.gz WWNKNSXZQVEGMH-FPLPWBNLSA-N -2 0 321.358 1.839 20 0 DDADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnn(CC3CC3)c2)cc1 ZINC000777591137 698206136 /nfs/dbraw/zinc/20/61/36/698206136.db2.gz NLRLQPCOWMNSQO-UHFFFAOYSA-N -2 0 321.358 1.792 20 0 DDADRL Cn1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000725223322 699331543 /nfs/dbraw/zinc/33/15/43/699331543.db2.gz CJXXGNWJKURIPC-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL O=C(Cn1c(=O)c2ccccc2[n-]c1=S)[N-]OC1CCC1 ZINC000812789858 702239327 /nfs/dbraw/zinc/23/93/27/702239327.db2.gz NLARJPOAXHRGSI-UHFFFAOYSA-N -2 0 305.359 1.286 20 0 DDADRL CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000817880738 702507530 /nfs/dbraw/zinc/50/75/30/702507530.db2.gz DKXRQGSYCWNUQE-QMMMGPOBSA-N -2 0 312.297 1.556 20 0 DDADRL CCc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)cc1 ZINC000863958634 706046723 /nfs/dbraw/zinc/04/67/23/706046723.db2.gz FKPNNMXLACVZMU-GFCCVEGCSA-N -2 0 313.375 1.411 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc(CF)cc2)C1 ZINC000910181820 709800379 /nfs/dbraw/zinc/80/03/79/709800379.db2.gz GERDWBMSZQLLGP-VXGBXAGGSA-N -2 0 309.293 1.546 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC000910184487 709801532 /nfs/dbraw/zinc/80/15/32/709801532.db2.gz ROKMZCGQQRZWSJ-FDYHWXHSSA-N -2 0 323.389 1.979 20 0 DDADRL C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000910186623 709802706 /nfs/dbraw/zinc/80/27/06/709802706.db2.gz SUXJKRDUZCXILZ-KWCYVHTRSA-N -2 0 319.357 1.957 20 0 DDADRL Cc1ccc(CCC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC000910187787 709803040 /nfs/dbraw/zinc/80/30/40/709803040.db2.gz GYJLFBDWXYFJGR-KBPBESRZSA-N -2 0 319.357 1.704 20 0 DDADRL CO[C@@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)[C@@](C)(C(=O)[O-])C1 ZINC000910260845 709844957 /nfs/dbraw/zinc/84/49/57/709844957.db2.gz AODKUOLCBQSQTM-LKFCYVNXSA-N -2 0 313.737 1.750 20 0 DDADRL CS(C)(=O)=NS(=O)(=O)[N-]c1cc(F)cc(Cl)c1[O-] ZINC000901660101 710112103 /nfs/dbraw/zinc/11/21/03/710112103.db2.gz HPBREVWLDLMDEY-UHFFFAOYSA-N -2 0 316.763 1.569 20 0 DDADRL C[C@@H]1CN(C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)CC[C@H]1C(=O)[O-] ZINC000902182610 710652534 /nfs/dbraw/zinc/65/25/34/710652534.db2.gz ZYHVFDFOBGDZNL-NXEZZACHSA-N -2 0 311.378 1.693 20 0 DDADRL O=C([O-])C1=NN(c2ccccc2)[C@H](C(=O)[N-]OCCC2CC2)C1 ZINC000911808201 711005076 /nfs/dbraw/zinc/00/50/76/711005076.db2.gz DYNTWGSBPYTIEQ-AWEZNQCLSA-N -2 0 317.345 1.554 20 0 DDADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CC[C@H](C3CC3)C2)c1 ZINC000906910977 712436214 /nfs/dbraw/zinc/43/62/14/712436214.db2.gz CYWZDLGTWLEUIT-NSHDSACASA-N -2 0 311.359 1.511 20 0 DDADRL CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(F)cc(F)c2[O-])C1=O ZINC000935751613 715126155 /nfs/dbraw/zinc/12/61/55/715126155.db2.gz UXBBBLONNLMEKR-CYBMUJFWSA-N -2 0 313.260 1.036 20 0 DDADRL C[C@H]1[C@H](Nc2cc([S-])cc([S-])c2)C(=O)N1S(=O)(=O)[O-] ZINC001167862478 739112838 /nfs/dbraw/zinc/11/28/38/739112838.db2.gz VKAYKUYXTJJLPW-CDUCUWFYSA-N -3 0 320.417 1.078 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2nccnc2C)cc1C(=O)[O-] ZINC001184659360 744079043 /nfs/dbraw/zinc/07/90/43/744079043.db2.gz HFBZNSGCWPPHTI-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL CCc1nccnc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184662929 744079857 /nfs/dbraw/zinc/07/98/57/744079857.db2.gz DHFWAGSGHAVTQV-UHFFFAOYSA-N -2 0 321.358 1.846 20 0 DDADRL O=C([O-])CCC(=O)CNC(=O)C=C([O-])c1ccccc1Cl ZINC001185444311 744224034 /nfs/dbraw/zinc/22/40/34/744224034.db2.gz RUTGGOYHCPBLFI-UHFFFAOYSA-N -2 0 311.721 1.463 20 0 DDADRL O=c1ccn(-c2ccc([N-]S(=O)(=O)c3ccoc3)cc2)[n-]1 ZINC001188617040 744728587 /nfs/dbraw/zinc/72/85/87/744728587.db2.gz GGPHTUMKWSGZGV-UHFFFAOYSA-N -2 0 305.315 1.972 20 0 DDADRL Cc1c(=O)[n-]n(-c2ccccc2)c1NS(=O)(=O)c1ncc[n-]1 ZINC001190762581 745304230 /nfs/dbraw/zinc/30/42/30/745304230.db2.gz NPJRUXZHUGYBEF-UHFFFAOYSA-N -2 0 319.346 1.410 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncco2)c(Cl)cc1F ZINC001193973592 746245183 /nfs/dbraw/zinc/24/51/83/746245183.db2.gz VCSRDSXLGISIDE-UHFFFAOYSA-N -2 0 320.685 1.966 20 0 DDADRL O=C1CCC(S(=O)(=O)[N-]c2cc(F)cc(F)c2[O-])CC1 ZINC001194809093 746465142 /nfs/dbraw/zinc/46/51/42/746465142.db2.gz JATWYVVQJAPUOG-UHFFFAOYSA-N -2 0 305.302 1.924 20 0 DDADRL CN(C)c1ccc(NC(=S)NCCOP(=O)([O-])[O-])cc1 ZINC001198775197 747605202 /nfs/dbraw/zinc/60/52/02/747605202.db2.gz CEAZPHRIGAGYTP-UHFFFAOYSA-N -2 0 319.323 1.148 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(Cl)ncc1C(F)(F)F ZINC001168587307 751182315 /nfs/dbraw/zinc/18/23/15/751182315.db2.gz QQCNFOOZLQIXMG-UHFFFAOYSA-N -2 0 321.579 1.670 20 0 DDADRL Cc1cc(NCCOP(=O)([O-])[O-])ncc1C(F)(F)F ZINC001168587659 751185746 /nfs/dbraw/zinc/18/57/46/751185746.db2.gz UPPXOIDLFYZMHU-UHFFFAOYSA-N -2 0 300.173 1.930 20 0 DDADRL CCOC(=O)Cc1ccc(NCCOP(=O)([O-])[O-])cc1F ZINC001168596728 751272828 /nfs/dbraw/zinc/27/28/28/751272828.db2.gz YRDVESICWCXNCQ-UHFFFAOYSA-N -2 0 321.241 1.453 20 0 DDADRL CN(C)Cc1c(F)cc(NCCOP(=O)([O-])[O-])cc1F ZINC001168596644 751274135 /nfs/dbraw/zinc/27/41/35/751274135.db2.gz WLPJUOLTGBNJCV-UHFFFAOYSA-N -2 0 310.237 1.548 20 0 DDADRL CS(=O)(=O)c1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cc1 ZINC001239702577 847484305 /nfs/dbraw/zinc/48/43/05/847484305.db2.gz LQXSHJSHJDJSGT-UHFFFAOYSA-N -2 0 312.283 1.560 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cc2cc(Cl)cnc2[nH]1 ZINC001151305136 862721941 /nfs/dbraw/zinc/72/19/41/862721941.db2.gz NGNNTVROGUZPLP-UHFFFAOYSA-N -2 0 319.641 1.055 20 0 DDADRL O=P([O-])([O-])OCCNC(F)(F)Oc1ccnc(Cl)c1 ZINC001157796186 864149379 /nfs/dbraw/zinc/14/93/79/864149379.db2.gz ZJWVNIZZKKWIPY-UHFFFAOYSA-N -2 0 318.600 1.363 20 0 DDADRL CC[C@H](C)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227760100 883159621 /nfs/dbraw/zinc/15/96/21/883159621.db2.gz PNIARNUTJRUJEE-NURSFMCSSA-N -2 0 324.329 1.642 20 0 DDADRL C[C@@H](CN1CCOCC1)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234341579 887882599 /nfs/dbraw/zinc/88/25/99/887882599.db2.gz ZWIMYHZPRKFLEL-NSHDSACASA-N -2 0 317.278 1.258 20 0 DDADRL NS(=O)(=O)c1cccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001240163964 890830378 /nfs/dbraw/zinc/83/03/78/890830378.db2.gz LQAHZIYPSOJUKT-UHFFFAOYSA-N -2 0 321.310 1.397 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cn3ncnc3cc2F)c1 ZINC001242164349 891358496 /nfs/dbraw/zinc/35/84/96/891358496.db2.gz KBYXGZNZEJEMIC-UHFFFAOYSA-N -2 0 301.233 1.932 20 0 DDADRL O=C([O-])Cc1ccc(F)c(-c2cccc(S(=O)(=O)[O-])n2)c1 ZINC001245317911 892077599 /nfs/dbraw/zinc/07/75/99/892077599.db2.gz WBZHRWFTJCIZEE-UHFFFAOYSA-N -2 0 311.290 1.762 20 0 DDADRL COC(=O)CS(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1[O-] ZINC001259025017 898421329 /nfs/dbraw/zinc/42/13/29/898421329.db2.gz MOGGOLIXJQHGLH-UHFFFAOYSA-N -2 0 314.146 1.614 20 0 DDADRL Cn1nc(C2CC2)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260182737 899075448 /nfs/dbraw/zinc/07/54/48/899075448.db2.gz NTJNHDNNXYIRSP-UHFFFAOYSA-N -2 0 321.358 1.797 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nccnc2C2CC2)c1 ZINC001260183407 899076059 /nfs/dbraw/zinc/07/60/59/899076059.db2.gz PQRNSPCYNUVXLV-UHFFFAOYSA-N -2 0 319.342 1.853 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc3n(n2)CCCO3)c1 ZINC001260184362 899079675 /nfs/dbraw/zinc/07/96/75/899079675.db2.gz HHIGLQZPEDNTOF-UHFFFAOYSA-N -2 0 323.330 1.165 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncc(F)s2)ccc1O ZINC001260393001 899134562 /nfs/dbraw/zinc/13/45/62/899134562.db2.gz GVPRZMVWCLHDCE-UHFFFAOYSA-N -2 0 318.307 1.487 20 0 DDADRL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(CC)c2)cn1 ZINC000036864361 539031161 /nfs/dbraw/zinc/03/11/61/539031161.db2.gz PYELJZVBRVXTMI-UHFFFAOYSA-N -2 0 312.351 1.223 20 0 DDADRL COc1ccc(-c2n[n-]c(=NCCOCC(=O)[O-])s2)cc1 ZINC000634965036 422735048 /nfs/dbraw/zinc/73/50/48/422735048.db2.gz XTHNJIDGFQWIQX-UHFFFAOYSA-N -2 0 309.347 1.149 20 0 DDADRL CC(C)n1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC000281281652 216209172 /nfs/dbraw/zinc/20/91/72/216209172.db2.gz XMAZGCMQNOAHPT-UHFFFAOYSA-N -2 0 323.374 1.892 20 0 DDADRL Cn1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000340094875 250870083 /nfs/dbraw/zinc/87/00/83/250870083.db2.gz MUAFPRBLOZNBOJ-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000568749530 304309382 /nfs/dbraw/zinc/30/93/82/304309382.db2.gz PVVKGASVULSFSM-NSHDSACASA-N -2 0 317.301 1.109 20 0 DDADRL O=C([O-])C1([N-]S(=O)(=O)c2c(F)cc(F)cc2F)CCCC1 ZINC000037908965 406994657 /nfs/dbraw/zinc/99/46/57/406994657.db2.gz NQPDEYXBRYZPHM-UHFFFAOYSA-N -2 0 323.292 1.780 20 0 DDADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)CC(=O)[O-])n1 ZINC000153174160 407769797 /nfs/dbraw/zinc/76/97/97/407769797.db2.gz RGQHPMPYHTUQLW-UHFFFAOYSA-N -2 0 307.281 1.182 20 0 DDADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000263159018 408042759 /nfs/dbraw/zinc/04/27/59/408042759.db2.gz FZIAWIKJSIROEC-NKWVEPMBSA-N -2 0 317.263 1.992 20 0 DDADRL Cc1c(S(=O)(=O)[N-]c2cc(C)c(C)cc2C(=O)[O-])cnn1C ZINC000292016537 408964255 /nfs/dbraw/zinc/96/42/55/408964255.db2.gz ZIZPKKWBZJLSES-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL CCc1ccc([N-]S(=O)(=O)c2cn(C)nc2C)c(C(=O)[O-])c1 ZINC000287312816 409017534 /nfs/dbraw/zinc/01/75/34/409017534.db2.gz UNQLWTMTVNQLMS-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cn1 ZINC000312528639 164009087 /nfs/dbraw/zinc/00/90/87/164009087.db2.gz DAWSINDHMZSLSA-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)nn1C ZINC000314455697 164014858 /nfs/dbraw/zinc/01/48/58/164014858.db2.gz HWPBWFPOFWXLKQ-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3c[nH]cn3)ccc12 ZINC000346756666 410134558 /nfs/dbraw/zinc/13/45/58/410134558.db2.gz UFCDYRDZYWUQJI-UHFFFAOYSA-N -2 0 306.303 1.390 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](NC(=O)N=c2ncn(C3CCCCC3)[n-]2)C1 ZINC000647699129 423003221 /nfs/dbraw/zinc/00/32/21/423003221.db2.gz XTHUUAGJQGUUBY-MNOVXSKESA-N -2 0 321.381 1.580 20 0 DDADRL O=C([O-])C1(CNC(=O)c2cc(F)c([O-])c(F)c2)CCOCC1 ZINC000647764749 423035867 /nfs/dbraw/zinc/03/58/67/423035867.db2.gz SMOCLTZRESLANQ-UHFFFAOYSA-N -2 0 315.272 1.282 20 0 DDADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ncc[nH]2)ccc1Cl ZINC000311938942 418591072 /nfs/dbraw/zinc/59/10/72/418591072.db2.gz JGHQFCFSVSBAJB-UHFFFAOYSA-N -2 0 301.711 1.562 20 0 DDADRL C[C@H]1CCN(C(=O)NCCCCCC(=O)[O-])C[C@H]1C(=O)[O-] ZINC000572032602 421760754 /nfs/dbraw/zinc/76/07/54/421760754.db2.gz SNFDNWCQQVUUEG-WDEREUQCSA-N -2 0 300.355 1.384 20 0 DDADRL O=C([O-])[C@]1(CN=c2nc(-c3ccccc3)o[n-]2)CCCOC1 ZINC000630463982 422117737 /nfs/dbraw/zinc/11/77/37/422117737.db2.gz STHYZHKZCSQMMK-HNNXBMFYSA-N -2 0 303.318 1.452 20 0 DDADRL O=C(N=c1nc(C2CCOCC2)[n-]s1)c1ccccc1[O-] ZINC000629101693 422476925 /nfs/dbraw/zinc/47/69/25/422476925.db2.gz YFUTZMQBQHBOCO-UHFFFAOYSA-N -2 0 305.359 1.812 20 0 DDADRL C[C@H]1CCN(C(=O)NCc2cccc(C(=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000646162333 423374834 /nfs/dbraw/zinc/37/48/34/423374834.db2.gz UPTSBRBIKJWJOX-GWCFXTLKSA-N -2 0 320.345 1.637 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653326801 423441826 /nfs/dbraw/zinc/44/18/26/423441826.db2.gz LELYPQWMJDUJCV-UPJWGTAASA-N -2 0 305.330 1.773 20 0 DDADRL CC(C)(C)c1n[n-]c(=NC(=O)c2ccc3oc(=O)nc-3[n-]2)s1 ZINC000646723078 423588326 /nfs/dbraw/zinc/58/83/26/423588326.db2.gz UNEBEILMQCJGMQ-UHFFFAOYSA-N -2 0 319.346 1.752 20 0 DDADRL CC(C)[C@H](CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C(=O)[O-] ZINC000655897493 424691959 /nfs/dbraw/zinc/69/19/59/424691959.db2.gz ZKVLZAFBZGDXFG-JTQLQIEISA-N -2 0 300.355 1.240 20 0 DDADRL CC(C)[C@H](CNC(=O)NC[C@@H](C(=O)[O-])C1CCC1)C(=O)[O-] ZINC000665314680 424780832 /nfs/dbraw/zinc/78/08/32/424780832.db2.gz NAWBGCWGCWAOQR-WDEREUQCSA-N -2 0 300.355 1.143 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnn(CC)c1 ZINC000531195768 303234465 /nfs/dbraw/zinc/23/44/65/303234465.db2.gz TYFCKOGMIKAHDB-UHFFFAOYSA-N -2 0 323.374 1.964 20 0 DDADRL CN(c1ccc(O)cc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000357491800 306888925 /nfs/dbraw/zinc/88/89/25/306888925.db2.gz JUNIQFAMDCUKBI-UHFFFAOYSA-N -2 0 323.326 1.621 20 0 DDADRL CC(C)(C)c1ncc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1 ZINC000357538304 306892489 /nfs/dbraw/zinc/89/24/89/306892489.db2.gz IBLHKJFTWDKBID-UHFFFAOYSA-N -2 0 324.362 1.601 20 0 DDADRL Cc1onc(N)c1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000559250388 307899696 /nfs/dbraw/zinc/89/96/96/307899696.db2.gz XWGOMDQBUPHASJ-UHFFFAOYSA-N -2 0 315.282 1.034 20 0 DDADRL C[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N=c1[n-]ncs1 ZINC000565636287 308034923 /nfs/dbraw/zinc/03/49/23/308034923.db2.gz VFAAGUAYZPFDSG-SECBINFHSA-N -2 0 306.347 1.640 20 0 DDADRL C[C@@H](N=c1[n-]c(C2CCOCC2)no1)c1ncc(C(=O)[O-])s1 ZINC000578775538 308485387 /nfs/dbraw/zinc/48/53/87/308485387.db2.gz BJMUBTFZQINCBL-SSDOTTSWSA-N -2 0 324.362 1.713 20 0 DDADRL CC(C)C[C@@H](CNC(=O)N=c1[n-]nc(C(F)F)s1)C(=O)[O-] ZINC000424467581 528322616 /nfs/dbraw/zinc/32/26/16/528322616.db2.gz HUKHTMBIMWLSFX-LURJTMIESA-N -2 0 322.337 1.766 20 0 DDADRL CC(C)C[C@H](CNC(=O)N=c1ccc(C2CC2)n[n-]1)C(=O)[O-] ZINC000424385312 528525683 /nfs/dbraw/zinc/52/56/83/528525683.db2.gz TWDCDMCBGDPQSP-LLVKDONJSA-N -2 0 306.366 1.644 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2)o1 ZINC000149369406 599802017 /nfs/dbraw/zinc/80/20/17/599802017.db2.gz UVZVFNYISGLWKS-UHFFFAOYSA-N -2 0 302.695 1.827 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1F ZINC000038030383 600529098 /nfs/dbraw/zinc/52/90/98/600529098.db2.gz JYSRVUSWVLZVKR-UHFFFAOYSA-N -2 0 313.310 1.216 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-] ZINC000736895493 600549742 /nfs/dbraw/zinc/54/97/42/600549742.db2.gz PADLUIPIZIBQQY-UHFFFAOYSA-N -2 0 308.400 1.259 20 0 DDADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccco1 ZINC000826008441 600944272 /nfs/dbraw/zinc/94/42/72/600944272.db2.gz HZEYNSVYWJWSBO-SECBINFHSA-N -2 0 323.326 1.586 20 0 DDADRL Cc1ccc(/C=C/S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1 ZINC000832930622 600986988 /nfs/dbraw/zinc/98/69/88/600986988.db2.gz YRPWMDOYLSVLOU-VOTSOKGWSA-N -2 0 322.346 1.084 20 0 DDADRL CCCn1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000829590979 601229199 /nfs/dbraw/zinc/22/91/99/601229199.db2.gz KVBKYRSELRIQAI-UHFFFAOYSA-N -2 0 313.335 1.694 20 0 DDADRL O=C([O-])[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)C2CCCCC2)C1 ZINC000833184271 601238549 /nfs/dbraw/zinc/23/85/49/601238549.db2.gz PCGLKPRQBYAMFQ-QWRGUYRKSA-N -2 0 317.407 1.656 20 0 DDADRL CC(C)CCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000826861573 601238867 /nfs/dbraw/zinc/23/88/67/601238867.db2.gz ZAXHNSPKJBYASG-WDEREUQCSA-N -2 0 305.396 1.370 20 0 DDADRL CC(C)CCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000826861572 601238988 /nfs/dbraw/zinc/23/89/88/601238988.db2.gz ZAXHNSPKJBYASG-QWRGUYRKSA-N -2 0 305.396 1.370 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)c(C(=O)[O-])[nH]1 ZINC000832898489 601331875 /nfs/dbraw/zinc/33/18/75/601331875.db2.gz MQDSYLNOIPILBY-UHFFFAOYSA-N -2 0 312.351 1.669 20 0 DDADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000833347067 601603159 /nfs/dbraw/zinc/60/31/59/601603159.db2.gz TXAHRNSMRCEITL-UHFFFAOYSA-N -2 0 320.298 1.920 20 0 DDADRL Cc1cccc(NS(=O)(=O)C[C@H](C)C(=O)[O-])c1C(=O)[O-] ZINC000832971227 601617498 /nfs/dbraw/zinc/61/74/98/601617498.db2.gz RIPNFOGELIHCJZ-QMMMGPOBSA-N -2 0 301.320 1.156 20 0 DDADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000827304452 602179134 /nfs/dbraw/zinc/17/91/34/602179134.db2.gz VHVMHUICJAVLPL-ZETCQYMHSA-N -2 0 305.739 1.256 20 0 DDADRL CC(C)CCS(=O)(=O)[N-]C(=O)CCC(C)(C)NC(=O)[O-] ZINC000738821060 602927560 /nfs/dbraw/zinc/92/75/60/602927560.db2.gz IRPHCUWNARZTSP-UHFFFAOYSA-N -2 0 308.400 1.305 20 0 DDADRL O=C([O-])N1CC(OCC(=O)Nc2cccc(Cl)c2[O-])C1 ZINC000831541729 603473852 /nfs/dbraw/zinc/47/38/52/603473852.db2.gz DZUYOXOJCCNRDG-UHFFFAOYSA-N -2 0 300.698 1.363 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000832908957 604805010 /nfs/dbraw/zinc/80/50/10/604805010.db2.gz DCKRHBWISTZWKT-OAHLLOKOSA-N -2 0 323.356 1.673 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000832908953 604805061 /nfs/dbraw/zinc/80/50/61/604805061.db2.gz DCKRHBWISTZWKT-HNNXBMFYSA-N -2 0 323.356 1.673 20 0 DDADRL CS/C=C\C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000832747745 604938580 /nfs/dbraw/zinc/93/85/80/604938580.db2.gz KVWWBWJMYMAUAL-WAYWQWQTSA-N -2 0 301.345 1.066 20 0 DDADRL COCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)cc1 ZINC000833725799 605165377 /nfs/dbraw/zinc/16/53/77/605165377.db2.gz GQLNRNXVBZQYON-UHFFFAOYSA-N -2 0 322.342 1.727 20 0 DDADRL CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000826727206 605266974 /nfs/dbraw/zinc/26/69/74/605266974.db2.gz CTNXBDNFBPUUTQ-ZJUUUORDSA-N -2 0 306.384 1.011 20 0 DDADRL CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000824176444 605272769 /nfs/dbraw/zinc/27/27/69/605272769.db2.gz LRTDTRGZRJCWHA-GHMZBOCLSA-N -2 0 320.411 1.257 20 0 DDADRL CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826775316 605277777 /nfs/dbraw/zinc/27/77/77/605277777.db2.gz OGVSISUIHNQLAM-WDEREUQCSA-N -2 0 320.411 1.401 20 0 DDADRL O=C([O-])CC[C@H]1CCCN(C(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC000834060941 605310439 /nfs/dbraw/zinc/31/04/39/605310439.db2.gz YQJLNMKFNAWVBR-NXEZZACHSA-N -2 0 316.379 1.143 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000834064524 605688810 /nfs/dbraw/zinc/68/88/10/605688810.db2.gz AVZKCPUZCVRRIA-GXSJLCMTSA-N -2 0 322.317 1.525 20 0 DDADRL O=C([O-])Cc1csc(NC(=O)[C@H]2CCCN(C(=O)[O-])C2)n1 ZINC000834068213 606027864 /nfs/dbraw/zinc/02/78/64/606027864.db2.gz KWMMBSGBOWYXIJ-ZETCQYMHSA-N -2 0 313.335 1.099 20 0 DDADRL O=C([O-])Cc1csc(NC(=O)CN(CC2CC2)C(=O)[O-])n1 ZINC000834069862 606028054 /nfs/dbraw/zinc/02/80/54/606028054.db2.gz YZVVTNQAEBIAHH-UHFFFAOYSA-N -2 0 313.335 1.099 20 0 DDADRL O=C([O-])c1ccc(CNC(=O)C2CCN(C(=O)[O-])CC2)cc1 ZINC000834283127 606029019 /nfs/dbraw/zinc/02/90/19/606029019.db2.gz JMWBDABEDXETLW-UHFFFAOYSA-N -2 0 306.318 1.391 20 0 DDADRL O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)C1CCN(C(=O)[O-])CC1 ZINC000834058341 606030882 /nfs/dbraw/zinc/03/08/82/606030882.db2.gz MDUNWIDSUXOVTI-UPJWGTAASA-N -2 0 324.377 1.621 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000834171809 606031417 /nfs/dbraw/zinc/03/14/17/606031417.db2.gz GNLCZUMGJTYJKJ-CHWSQXEVSA-N -2 0 320.345 1.480 20 0 DDADRL O=C([O-])N[C@H](C(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000834251649 606033770 /nfs/dbraw/zinc/03/37/70/606033770.db2.gz JYNWSVJFAWNVHA-RYUDHWBXSA-N -2 0 306.318 1.319 20 0 DDADRL C[C@H](C(=O)[O-])[C@@H](NC(=O)CC1CN(C(=O)[O-])C1)c1ccccc1 ZINC000833791997 606053974 /nfs/dbraw/zinc/05/39/74/606053974.db2.gz XMVCIBUKBNCBHW-IINYFYTJSA-N -2 0 320.345 1.565 20 0 DDADRL O=C([O-])c1cc(NC(=O)C2CCN(C(=O)[O-])CC2)ccc1F ZINC000834283423 606056197 /nfs/dbraw/zinc/05/61/97/606056197.db2.gz OMMPQUHTTKTQPO-UHFFFAOYSA-N -2 0 310.281 1.852 20 0 DDADRL O=C([O-])[C@H](CNC(=O)[C@H]1CCCN1C(=O)[O-])Cc1ccccc1 ZINC000834057513 606058098 /nfs/dbraw/zinc/05/80/98/606058098.db2.gz FISDFVSXMQAVCB-QWHCGFSZSA-N -2 0 320.345 1.189 20 0 DDADRL O=C([O-])CCc1ccc(NC(=O)[C@H]2CCCN2C(=O)[O-])cc1 ZINC000834058406 606062978 /nfs/dbraw/zinc/06/29/78/606062978.db2.gz CMEQWJUGPAUUMZ-GFCCVEGCSA-N -2 0 306.318 1.785 20 0 DDADRL CCCCC[C@@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])C(=O)[O-] ZINC000833853504 606067560 /nfs/dbraw/zinc/06/75/60/606067560.db2.gz QHOHKYCKYVHBLH-GHMZBOCLSA-N -2 0 300.355 1.669 20 0 DDADRL O=C([O-])NCCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000834227326 606072012 /nfs/dbraw/zinc/07/20/12/606072012.db2.gz CEUNTWFETQKQLM-SNVBAGLBSA-N -2 0 318.688 1.379 20 0 DDADRL O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000834186878 606112133 /nfs/dbraw/zinc/11/21/33/606112133.db2.gz VRECVCSBZQYDSP-IJLUTSLNSA-N -2 0 312.366 1.526 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)C[C@H]2CCCN2C(=O)[O-])CC1 ZINC000834058810 606113479 /nfs/dbraw/zinc/11/34/79/606113479.db2.gz DRHFWETVEUUPIT-GFCCVEGCSA-N -2 0 312.366 1.622 20 0 DDADRL Cc1cc(C(=O)NOC/C=C\Cl)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000794295598 699801098 /nfs/dbraw/zinc/80/10/98/699801098.db2.gz JJDSWGNSKWYKMY-IHWYPQMZSA-N -2 0 310.697 1.158 20 0 DDADRL O=C([O-])CCc1cccc(NC(=O)C(=O)[N-]OCCC2CC2)c1 ZINC000817881890 702508361 /nfs/dbraw/zinc/50/83/61/702508361.db2.gz WWBREWLOWZLURQ-UHFFFAOYSA-N -2 0 320.345 1.490 20 0 DDADRL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000863952298 706044698 /nfs/dbraw/zinc/04/46/98/706044698.db2.gz RCGGYMQXQFENCZ-UHFFFAOYSA-N -2 0 305.739 1.256 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])c(C)c1 ZINC000863952370 706045085 /nfs/dbraw/zinc/04/50/85/706045085.db2.gz UJCMRGOEEGAZPY-UHFFFAOYSA-N -2 0 313.375 1.753 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000863954527 706045815 /nfs/dbraw/zinc/04/58/15/706045815.db2.gz YVWPOLLMJCGASH-LLVKDONJSA-N -2 0 305.396 1.370 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000863963787 706047358 /nfs/dbraw/zinc/04/73/58/706047358.db2.gz HDRRHDSSAGCRMS-YBXAARCKSA-N -2 0 315.391 1.122 20 0 DDADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000863964616 706047749 /nfs/dbraw/zinc/04/77/49/706047749.db2.gz XTOKKVSALZZHLV-YTWAJWBKSA-N -2 0 317.407 1.368 20 0 DDADRL CC(C)=CC[C@@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000864449390 706172949 /nfs/dbraw/zinc/17/29/49/706172949.db2.gz JKIWODVJUVABDT-HTQZYQBOSA-N -2 0 303.302 1.666 20 0 DDADRL C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000921206987 713721508 /nfs/dbraw/zinc/72/15/08/713721508.db2.gz YNBRIFCTGZNROL-ZCFIWIBFSA-N -2 0 321.738 1.180 20 0 DDADRL O=C([O-])[C@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)CCO1 ZINC000909216934 712965955 /nfs/dbraw/zinc/96/59/55/712965955.db2.gz JOSYILJOMMMFNN-SECBINFHSA-N -2 0 303.673 1.110 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1ccc(F)cc1 ZINC000910185399 709801894 /nfs/dbraw/zinc/80/18/94/709801894.db2.gz JBAUFZGWPCFTDU-WCQYABFASA-N -2 0 323.320 1.535 20 0 DDADRL CC(C)CCSCC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910188999 709804257 /nfs/dbraw/zinc/80/42/57/709804257.db2.gz OUSHPQAXLXXEDQ-QWRGUYRKSA-N -2 0 317.407 1.542 20 0 DDADRL Cc1cccc(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910189788 709804614 /nfs/dbraw/zinc/80/46/14/709804614.db2.gz TXBLLVMXDTVAKJ-QWHCGFSZSA-N -2 0 305.330 1.314 20 0 DDADRL CS(C)(=O)=NS(=O)(=O)[N-]c1cc(F)cc(F)c1[O-] ZINC000901674511 710116109 /nfs/dbraw/zinc/11/61/09/710116109.db2.gz HVEUMZSUNKUQIH-UHFFFAOYSA-N -2 0 300.308 1.055 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000902100225 710614992 /nfs/dbraw/zinc/61/49/92/710614992.db2.gz YYCHCDNRWDLDPD-UPJWGTAASA-N -2 0 303.314 1.308 20 0 DDADRL O=c1ccn(-c2ccc([N-]S(=O)(=O)c3nccs3)cc2)[n-]1 ZINC001187901609 744627040 /nfs/dbraw/zinc/62/70/40/744627040.db2.gz HOIXOQXWBBRBRL-UHFFFAOYSA-N -2 0 322.371 1.835 20 0 DDADRL CN(C)C(=O)c1cccc([N-]S(=O)(=O)CCCF)c1[O-] ZINC001189919795 745035926 /nfs/dbraw/zinc/03/59/26/745035926.db2.gz MJUHZVZHMJBEAH-UHFFFAOYSA-N -2 0 304.343 1.195 20 0 DDADRL O=C(NCc1nnn[n-]1)c1cc(Br)ccc1[S-] ZINC001189969090 745051899 /nfs/dbraw/zinc/05/18/99/745051899.db2.gz FOGKKYQZVXVGJC-UHFFFAOYSA-N -2 0 314.168 1.181 20 0 DDADRL O=C(NCCCc1ccccc1)NCCOP(=O)([O-])[O-] ZINC001191219342 745453280 /nfs/dbraw/zinc/45/32/80/745453280.db2.gz SDZWNGHCQMFCFZ-UHFFFAOYSA-N -2 0 302.267 1.028 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnnc2)c(F)cc1F ZINC001195194593 746547123 /nfs/dbraw/zinc/54/71/23/746547123.db2.gz JALKRVCUOFJQMC-UHFFFAOYSA-N -2 0 315.257 1.254 20 0 DDADRL C[C@@H](O)c1ccnc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198748779 747589719 /nfs/dbraw/zinc/58/97/19/747589719.db2.gz FSMDEJPESIZZON-SECBINFHSA-N -2 0 322.342 1.634 20 0 DDADRL O=P([O-])([O-])OCCNc1cc2c(nn1)-c1ccccc1OC2 ZINC001168589924 751205695 /nfs/dbraw/zinc/20/56/95/751205695.db2.gz QTABWYKKTLNXHX-UHFFFAOYSA-N -2 0 323.245 1.557 20 0 DDADRL O=C(Cc1ccc2c(c1)CCCC2)NCCOP(=O)([O-])[O-] ZINC001180396620 779744671 /nfs/dbraw/zinc/74/46/71/779744671.db2.gz STPSZMJFSDIMBE-UHFFFAOYSA-N -2 0 313.290 1.333 20 0 DDADRL O=C(NCCCC[P@](=O)([O-])O)c1c2cc[nH]c2ccc1F ZINC001155438272 862087793 /nfs/dbraw/zinc/08/77/93/862087793.db2.gz XYLPUSDCKHJMKO-UHFFFAOYSA-N -2 0 314.253 1.995 20 0 DDADRL O=P([O-])([O-])OCCNC(F)(F)c1cc(Cl)ncc1F ZINC001157791349 864143666 /nfs/dbraw/zinc/14/36/66/864143666.db2.gz LWCLFMLYDQFNAO-UHFFFAOYSA-N -2 0 320.591 1.622 20 0 DDADRL O=P([O-])([O-])OCCNc1nc2c(nc1Cl)CCCC2 ZINC001157795946 864149746 /nfs/dbraw/zinc/14/97/46/864149746.db2.gz YSCMQEZJVHJWHB-UHFFFAOYSA-N -2 0 307.674 1.530 20 0 DDADRL COC(=O)[C@H]1C[C@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234331986 887869210 /nfs/dbraw/zinc/86/92/10/887869210.db2.gz MZFFFCWJKMTGJF-JLIMDTESSA-N -2 0 302.219 1.489 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cn(CC3CC3)cn2)c1 ZINC001260184287 899076357 /nfs/dbraw/zinc/07/63/57/899076357.db2.gz FHMSLPGTHYDCMF-UHFFFAOYSA-N -2 0 321.358 1.792 20 0 DDADRL CC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC001260184470 899078264 /nfs/dbraw/zinc/07/82/64/899078264.db2.gz MTWVMDOAADLDGW-UHFFFAOYSA-N -2 0 320.326 1.783 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)nc(C)n1 ZINC001260220826 899093842 /nfs/dbraw/zinc/09/38/42/899093842.db2.gz PZSWDUWLHHWEEO-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL CCc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cn1 ZINC000446993362 529758983 /nfs/dbraw/zinc/75/89/83/529758983.db2.gz ZFTCTUMOKXENIF-UHFFFAOYSA-N -2 0 323.330 1.244 20 0 DDADRL O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000092181582 193171443 /nfs/dbraw/zinc/17/14/43/193171443.db2.gz GDDIXXGJULPMHQ-HTQZYQBOSA-N -2 0 303.286 1.272 20 0 DDADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000350729057 284250001 /nfs/dbraw/zinc/25/00/01/284250001.db2.gz IIPWRBUJKRHPFJ-UHFFFAOYSA-N -2 0 320.277 1.483 20 0 DDADRL CC(C)Cc1nc(=NCCc2nc(C(=O)[O-])cs2)s[n-]1 ZINC000566622285 304172395 /nfs/dbraw/zinc/17/23/95/304172395.db2.gz SNGWZUWJVYCKKV-UHFFFAOYSA-N -2 0 312.420 1.968 20 0 DDADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000037414766 406988438 /nfs/dbraw/zinc/98/84/38/406988438.db2.gz RAIGDLGURWLTRN-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CCOc1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000037789732 406993325 /nfs/dbraw/zinc/99/33/25/406993325.db2.gz DWLNEKMZBYTKRT-UHFFFAOYSA-N -2 0 310.331 1.912 20 0 DDADRL C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1 ZINC000187713966 407882745 /nfs/dbraw/zinc/88/27/45/407882745.db2.gz CZELTQZWHXUJHJ-QMMMGPOBSA-N -2 0 324.362 1.681 20 0 DDADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000346411483 409956451 /nfs/dbraw/zinc/95/64/51/409956451.db2.gz PDLQQISTOLUXCV-UHFFFAOYSA-N -2 0 323.326 1.905 20 0 DDADRL COCCS(=O)(=O)[N-]c1c(OC)ccc(Cl)c1C(=O)[O-] ZINC000348736427 411069596 /nfs/dbraw/zinc/06/95/96/411069596.db2.gz TWYJHXXUGRHSKZ-UHFFFAOYSA-N -2 0 323.754 1.435 20 0 DDADRL CCc1ncc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cn1 ZINC000533464327 421674508 /nfs/dbraw/zinc/67/45/08/421674508.db2.gz CGARHTUIEXPGAP-UHFFFAOYSA-N -2 0 313.360 1.600 20 0 DDADRL CC(C)(NC(=O)c1ccc(Cl)c(Cl)c1[O-])c1nnn[n-]1 ZINC000556975686 421753977 /nfs/dbraw/zinc/75/39/77/421753977.db2.gz YPRKQVIZQNEIGE-UHFFFAOYSA-N -2 0 316.148 1.877 20 0 DDADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(F)ccc1C(=O)[O-] ZINC000558473508 421809293 /nfs/dbraw/zinc/80/92/93/421809293.db2.gz UDOCYUMCTNJZSE-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000630444926 422108957 /nfs/dbraw/zinc/10/89/57/422108957.db2.gz BYMYZUCTBTZPAF-VXNVDRBHSA-N -2 0 319.766 1.672 20 0 DDADRL CCn1cc(-c2cc(=O)n(-c3ccc(CC(=O)[O-])cc3)[n-]2)cn1 ZINC000634633021 422516055 /nfs/dbraw/zinc/51/60/55/422516055.db2.gz HHGCSQUFAQQJTP-UHFFFAOYSA-N -2 0 312.329 1.671 20 0 DDADRL O=C(N=c1nc(C2CCOCC2)[n-]s1)c1cc(F)ccc1[O-] ZINC000629101758 422477484 /nfs/dbraw/zinc/47/74/84/422477484.db2.gz LSMZUHHSOKREJD-UHFFFAOYSA-N -2 0 323.349 1.951 20 0 DDADRL C[C@@H]1CCCN(C(=O)c2ccc(OCC(=O)[O-])cc2)[C@H]1C(=O)[O-] ZINC000659765285 424236568 /nfs/dbraw/zinc/23/65/68/424236568.db2.gz VKNOBUBDQJBRGU-QMTHXVAHSA-N -2 0 321.329 1.475 20 0 DDADRL O=C([O-])C1([N-]S(=O)(=O)c2c(F)cc(F)cc2F)CCC1 ZINC000164924445 298214261 /nfs/dbraw/zinc/21/42/61/298214261.db2.gz JGFOMHCWNBRBQV-UHFFFAOYSA-N -2 0 309.265 1.390 20 0 DDADRL O=C([O-])C1(C[N-]S(=O)(=O)c2c(F)cccc2F)CCCC1 ZINC000165344379 298216020 /nfs/dbraw/zinc/21/60/20/298216020.db2.gz PIKWKMSKXAMXKK-UHFFFAOYSA-N -2 0 319.329 1.888 20 0 DDADRL CCn1cn[n-]c1=NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000356199960 306842588 /nfs/dbraw/zinc/84/25/88/306842588.db2.gz BLLGQVQDXBGCLS-UHFFFAOYSA-N -2 0 316.296 1.003 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccsc1 ZINC000547611740 307740926 /nfs/dbraw/zinc/74/09/26/307740926.db2.gz GUXZIIYEZCYIQV-VDTYLAMSSA-N -2 0 317.310 1.744 20 0 DDADRL C/C=C/C[C@H](NS(=O)(=O)c1cccc(OC)c1F)C(=O)[O-] ZINC000656179345 483998660 /nfs/dbraw/zinc/99/86/60/483998660.db2.gz GQHIEDHDYPWDDE-NWALNABHSA-N -2 0 317.338 1.532 20 0 DDADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1O ZINC000433804169 534007760 /nfs/dbraw/zinc/00/77/60/534007760.db2.gz XLRTXXIFPFCQNY-UHFFFAOYSA-N -2 0 323.326 1.905 20 0 DDADRL O=C([O-])c1cccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)n1 ZINC000821549432 598195710 /nfs/dbraw/zinc/19/57/10/598195710.db2.gz BBEAAEFHWBITDF-LBPRGKRZSA-N -2 0 300.270 1.336 20 0 DDADRL CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000037464055 599734833 /nfs/dbraw/zinc/73/48/33/599734833.db2.gz GQOXZWXIEYIXJF-UHFFFAOYSA-N -2 0 309.299 1.981 20 0 DDADRL O=C([O-])CCSCc1cccc(NC(=O)c2n[nH]c(=O)[n-]2)c1 ZINC000739753876 600110327 /nfs/dbraw/zinc/11/03/27/600110327.db2.gz RESSZKOAKKUGDE-UHFFFAOYSA-N -2 0 322.346 1.471 20 0 DDADRL Cn1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c2ccccc21 ZINC000739023197 600463375 /nfs/dbraw/zinc/46/33/75/600463375.db2.gz QRZPUKGJWSOJLO-UHFFFAOYSA-N -2 0 324.358 1.103 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCCc1cccs1 ZINC000739693144 600463734 /nfs/dbraw/zinc/46/37/34/600463734.db2.gz WAPQBKUGRABAJF-UHFFFAOYSA-N -2 0 319.404 1.382 20 0 DDADRL Cn1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC000739038638 600637773 /nfs/dbraw/zinc/63/77/73/600637773.db2.gz KNGMVCUAAFIRJZ-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)c[nH]1 ZINC000833306325 600977382 /nfs/dbraw/zinc/97/73/82/600977382.db2.gz QDZGWRCCWANRMT-UHFFFAOYSA-N -2 0 324.362 1.825 20 0 DDADRL CC(C)CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000826861571 601238872 /nfs/dbraw/zinc/23/88/72/601238872.db2.gz ZAXHNSPKJBYASG-MNOVXSKESA-N -2 0 305.396 1.370 20 0 DDADRL Cc1nnc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])s1 ZINC000123511229 601502063 /nfs/dbraw/zinc/50/20/63/601502063.db2.gz UTFZFQAEDOAUKD-UHFFFAOYSA-N -2 0 317.348 1.555 20 0 DDADRL Cc1cc(F)cc(C(=O)[O-])c1NS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000832887612 601615428 /nfs/dbraw/zinc/61/54/28/601615428.db2.gz QHNPECMDDSWHHI-SSDOTTSWSA-N -2 0 319.310 1.295 20 0 DDADRL CC(C)(CNC(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)[O-] ZINC000826606979 601819564 /nfs/dbraw/zinc/81/95/64/601819564.db2.gz DLWUBAUVWCKUNI-UHFFFAOYSA-N -2 0 321.308 1.558 20 0 DDADRL CN(C(=O)[O-])[C@@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000739585719 601980805 /nfs/dbraw/zinc/98/08/05/601980805.db2.gz DEVLRKPDWISWOJ-SECBINFHSA-N -2 0 322.390 1.971 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000738622698 602142262 /nfs/dbraw/zinc/14/22/62/602142262.db2.gz HCPTWYZQWJUXJM-UHFFFAOYSA-N -2 0 300.270 1.659 20 0 DDADRL O=C([O-])N1CCC[C@@H]1CNC(=O)c1c([O-])cc(F)cc1F ZINC000740417932 602607329 /nfs/dbraw/zinc/60/73/29/602607329.db2.gz SQSGZFBAYLLSRD-MRVPVSSYSA-N -2 0 300.261 1.543 20 0 DDADRL CCC[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000739320590 602669830 /nfs/dbraw/zinc/66/98/30/602669830.db2.gz PUWUDPJPMANSLX-LLVKDONJSA-N -2 0 314.363 1.236 20 0 DDADRL O=C([O-])N1CC[C@@H](C(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)C1 ZINC000740456933 602959486 /nfs/dbraw/zinc/95/94/86/602959486.db2.gz LPTVQITUHPNGRW-ZVTBTPLYSA-N -2 0 324.358 1.103 20 0 DDADRL CCS(=O)(=O)[N-]C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000827476432 603443569 /nfs/dbraw/zinc/44/35/69/603443569.db2.gz YUJCOODEAJIXOS-GXSJLCMTSA-N -2 0 314.363 1.097 20 0 DDADRL CCCS(=O)(=O)[N-]C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000826944736 603453668 /nfs/dbraw/zinc/45/36/68/603453668.db2.gz HKGBPZVHMMWKNB-UHFFFAOYSA-N -2 0 300.336 1.555 20 0 DDADRL CN(CCNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)[O-] ZINC000828329385 603839796 /nfs/dbraw/zinc/83/97/96/603839796.db2.gz CVNMBXZTVBPTIO-UHFFFAOYSA-N -2 0 322.296 1.057 20 0 DDADRL O=C([O-])NC[C@H]1CCCN1C(=O)c1c([O-])cc(F)cc1F ZINC000832562896 603997907 /nfs/dbraw/zinc/99/79/07/603997907.db2.gz SXSKSIFOHYKUTO-MRVPVSSYSA-N -2 0 300.261 1.543 20 0 DDADRL C[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2[O-])C[C@H]1C(=O)[O-] ZINC000828387824 604311276 /nfs/dbraw/zinc/31/12/76/604311276.db2.gz SRZWQAYZUFPNAB-HZGVNTEJSA-N -2 0 301.701 1.977 20 0 DDADRL Cc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cn1 ZINC000164581224 604403073 /nfs/dbraw/zinc/40/30/73/604403073.db2.gz GNNKCWDWYOSEOM-UHFFFAOYSA-N -2 0 306.343 1.818 20 0 DDADRL CCOc1ncccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833665101 604688243 /nfs/dbraw/zinc/68/82/43/604688243.db2.gz KNYNSWJPCPSRQT-UHFFFAOYSA-N -2 0 323.330 1.374 20 0 DDADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccn(C)n1 ZINC000833741456 605127431 /nfs/dbraw/zinc/12/74/31/605127431.db2.gz NLMGVHBTYHDBSY-UHFFFAOYSA-N -2 0 301.349 1.289 20 0 DDADRL O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(CNC(=O)[O-])o2)C1 ZINC000834060093 605307404 /nfs/dbraw/zinc/30/74/04/605307404.db2.gz NFOIWDIJWIQMAI-SNVBAGLBSA-N -2 0 324.333 1.764 20 0 DDADRL Cc1cc(C(=O)NCCCc2n[nH]c(=O)[n-]2)ccc1NC(=O)[O-] ZINC000829949893 605320877 /nfs/dbraw/zinc/32/08/77/605320877.db2.gz BGQGIEISLRWTQD-UHFFFAOYSA-N -2 0 319.321 1.271 20 0 DDADRL O=C([O-])N1CCCN1C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000834112043 605789940 /nfs/dbraw/zinc/78/99/40/605789940.db2.gz HLZDMBPTOAOOQB-UHFFFAOYSA-N -2 0 320.330 1.365 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000834247614 606030774 /nfs/dbraw/zinc/03/07/74/606030774.db2.gz ZCGYLHNGPCUNRG-GFCCVEGCSA-N -2 0 306.318 1.391 20 0 DDADRL O=C([O-])CCN(C(=O)Cc1ccc(NC(=O)[O-])cc1)C1CC1 ZINC000834059975 606046799 /nfs/dbraw/zinc/04/67/99/606046799.db2.gz MLBXSNOUILUDGF-UHFFFAOYSA-N -2 0 306.318 1.785 20 0 DDADRL CN(C(=O)C[C@H]1CCCN1C(=O)[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC000833868550 606050895 /nfs/dbraw/zinc/05/08/95/606050895.db2.gz CRRPQYYLZQUBEU-OCCSQVGLSA-N -2 0 320.345 1.803 20 0 DDADRL O=C([O-])C[C@H](NC(=O)CCNC(=O)[O-])c1cccc(Cl)c1 ZINC000834060706 606069157 /nfs/dbraw/zinc/06/91/57/606069157.db2.gz JLJRRLORGBJCJF-JTQLQIEISA-N -2 0 314.725 1.630 20 0 DDADRL Cn1nc([N-]S(=O)(=O)c2c(F)cccc2F)cc1C(=O)[O-] ZINC000776428393 698106363 /nfs/dbraw/zinc/10/63/63/698106363.db2.gz YPCYJIHLYLPVEX-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C)c1 ZINC000793368513 699752793 /nfs/dbraw/zinc/75/27/93/699752793.db2.gz NBEIUZAXIAUEHA-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)C(=O)[N-]OC2CCCCC2)c1 ZINC000817120393 702276095 /nfs/dbraw/zinc/27/60/95/702276095.db2.gz MGSDOSLLDZEZIO-UHFFFAOYSA-N -2 0 320.345 1.382 20 0 DDADRL O=C([O-])c1cccc(NC(=O)C(=O)[N-]OC2CCCCC2)c1 ZINC000843045216 702807434 /nfs/dbraw/zinc/80/74/34/702807434.db2.gz PRDUQHGSHCUIBI-UHFFFAOYSA-N -2 0 306.318 1.704 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)c(C)c1 ZINC000863952054 706044570 /nfs/dbraw/zinc/04/45/70/706044570.db2.gz IUDUTMHLAKASMQ-UHFFFAOYSA-N -2 0 311.359 1.363 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)c(C)c1 ZINC000863952403 706045058 /nfs/dbraw/zinc/04/50/58/706045058.db2.gz VIILZJMZWFLOQC-LBPRGKRZSA-N -2 0 311.359 1.219 20 0 DDADRL O=C([O-])c1ccsc1N1CC[C@H]([N-]C(=O)C(F)(F)F)C1=O ZINC000833336991 707006157 /nfs/dbraw/zinc/00/61/57/707006157.db2.gz XRBOTKPJZKUGSZ-LURJTMIESA-N -2 0 322.264 1.230 20 0 DDADRL O=C([O-])c1cccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1 ZINC000900468948 709610364 /nfs/dbraw/zinc/61/03/64/709610364.db2.gz KIWGDVMNWROBCX-QWHCGFSZSA-N -2 0 303.314 1.568 20 0 DDADRL Cc1scc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1C ZINC000910184359 709801298 /nfs/dbraw/zinc/80/12/98/709801298.db2.gz PTDBPJHEYCZOGL-KOLCDFICSA-N -2 0 311.359 1.755 20 0 DDADRL O=C([O-])C1(CN=c2nn[n-]n2Cc2ccccc2)CCCC1 ZINC000910312822 709883740 /nfs/dbraw/zinc/88/37/40/709883740.db2.gz OQGUERQFCMAJTG-UHFFFAOYSA-N -2 0 301.350 1.200 20 0 DDADRL O=C([O-])[C@H](CN=c1nn[n-]n1Cc1ccccc1)CC1CC1 ZINC000910418604 709930844 /nfs/dbraw/zinc/93/08/44/709930844.db2.gz GITSVAUZHMQEQF-ZDUSSCGKSA-N -2 0 301.350 1.056 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000901638569 710104327 /nfs/dbraw/zinc/10/43/27/710104327.db2.gz CWGDIFPXOJCGAY-UTUOFQBUSA-N -2 0 303.314 1.702 20 0 DDADRL C[C@H]1CN(C(=O)Cc2ccccc2C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000902174866 710648362 /nfs/dbraw/zinc/64/83/62/710648362.db2.gz AJJYUCDJTMOIML-JQWIXIFHSA-N -2 0 305.330 1.497 20 0 DDADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000905999133 712215777 /nfs/dbraw/zinc/21/57/77/712215777.db2.gz JCWYLNIROSCNSF-LURJTMIESA-N -2 0 307.265 1.061 20 0 DDADRL CCc1ccc(CS(=O)(=O)[N-]CC(F)(F)C(=O)[O-])cc1 ZINC000905999673 712216418 /nfs/dbraw/zinc/21/64/18/712216418.db2.gz NPPUOTDJDVARCA-UHFFFAOYSA-N -2 0 307.318 1.388 20 0 DDADRL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2occc2Br)C1 ZINC000926484344 715075060 /nfs/dbraw/zinc/07/50/60/715075060.db2.gz TVNYOIDSRMRKIU-IZLXSQMJSA-N -2 0 324.152 1.184 20 0 DDADRL C[C@H](Oc1cccc(Cl)c1)C(=O)NCCOP(=O)([O-])[O-] ZINC001181781714 743338824 /nfs/dbraw/zinc/33/88/24/743338824.db2.gz DMOYQZYLRSOZDZ-QMMMGPOBSA-N -2 0 323.669 1.333 20 0 DDADRL O=C(Cc1ccc([S-])cc1)NCCCC[P@](=O)([O-])O ZINC001183189603 743793007 /nfs/dbraw/zinc/79/30/07/743793007.db2.gz KWESYNLVHQNHSO-UHFFFAOYSA-N -2 0 303.320 1.592 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cc3n(n2)CCO3)cc1C(=O)[O-] ZINC001184670891 744075053 /nfs/dbraw/zinc/07/50/53/744075053.db2.gz XTPAOLPFRPCVLZ-UHFFFAOYSA-N -2 0 323.330 1.083 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncco2)ccc1Cl ZINC001188272244 744684534 /nfs/dbraw/zinc/68/45/34/744684534.db2.gz AEJGPYABACULAC-UHFFFAOYSA-N -2 0 302.695 1.827 20 0 DDADRL COc1cc([N-]S(=O)(=O)c2cnc(C)n2C)ccc1[S-] ZINC001198404189 747481057 /nfs/dbraw/zinc/48/10/57/747481057.db2.gz QBVJUHXXADMAEB-UHFFFAOYSA-N -2 0 313.404 1.827 20 0 DDADRL Cn1nc(C2CC2)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198730618 747582791 /nfs/dbraw/zinc/58/27/91/747582791.db2.gz RSXCQLUVWYQFGF-UHFFFAOYSA-N -2 0 321.358 1.797 20 0 DDADRL CCc1nccnc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198741621 747587073 /nfs/dbraw/zinc/58/70/73/747587073.db2.gz RVWGVIFGFLHKSB-UHFFFAOYSA-N -2 0 307.331 1.538 20 0 DDADRL CSc1nc2sccc2c(NCCOP(=O)([O-])[O-])n1 ZINC001157786941 766637894 /nfs/dbraw/zinc/63/78/94/766637894.db2.gz DMUBJIXLUNKJAV-UHFFFAOYSA-N -2 0 321.320 1.934 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1ccc2cc[nH]c2c1F ZINC001154955540 861599967 /nfs/dbraw/zinc/59/99/67/861599967.db2.gz RDWVDPQCRMXKAY-UHFFFAOYSA-N -2 0 302.198 1.146 20 0 DDADRL Cc1ccc(Cl)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001225206368 881725719 /nfs/dbraw/zinc/72/57/19/881725719.db2.gz NEIYTPQHYYPWQI-HQJQHLMTSA-N -2 0 316.693 1.090 20 0 DDADRL Nc1cc(C(F)(F)NCCOP(=O)([O-])[O-])cnc1Cl ZINC001157795850 864148823 /nfs/dbraw/zinc/14/88/23/864148823.db2.gz OECSHFZSXZBXDD-UHFFFAOYSA-N -2 0 317.616 1.065 20 0 DDADRL CC[C@H](C)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227760101 883159810 /nfs/dbraw/zinc/15/98/10/883159810.db2.gz PNIARNUTJRUJEE-PXWWUCIGSA-N -2 0 324.329 1.642 20 0 DDADRL CC(C)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1 ZINC001228099535 883334272 /nfs/dbraw/zinc/33/42/72/883334272.db2.gz BZZNMWXNQQPAPQ-LLVKDONJSA-N -2 0 304.235 1.186 20 0 DDADRL CCCc1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001228448438 883504617 /nfs/dbraw/zinc/50/46/17/883504617.db2.gz IQLZWXOHOBMACZ-WCQYABFASA-N -2 0 310.302 1.081 20 0 DDADRL Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(C(C)C)c1 ZINC001229126280 883835734 /nfs/dbraw/zinc/83/57/34/883835734.db2.gz VHTPPKWDTWKCDZ-BXUZGUMPSA-N -2 0 324.329 1.560 20 0 DDADRL O=C([O-])c1ccc(-c2ccc3c(c2)C(=O)[N-]S3(=O)=O)s1 ZINC001240846713 891071206 /nfs/dbraw/zinc/07/12/06/891071206.db2.gz RHEHIWAWZKXTSG-UHFFFAOYSA-N -2 0 309.324 1.545 20 0 DDADRL COC(=O)Cc1ccnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242160242 891353947 /nfs/dbraw/zinc/35/39/47/891353947.db2.gz HZOOVHOCLIBFJQ-UHFFFAOYSA-N -2 0 316.269 1.256 20 0 DDADRL COC(=O)c1cccnc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242159908 891354139 /nfs/dbraw/zinc/35/41/39/891354139.db2.gz WUHMRZJPDDDLQX-UHFFFAOYSA-N -2 0 301.254 1.932 20 0 DDADRL CN(C)C(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nn1 ZINC001242160603 891356369 /nfs/dbraw/zinc/35/63/69/891356369.db2.gz OVSUJWDZSHXPIT-UHFFFAOYSA-N -2 0 315.285 1.242 20 0 DDADRL COC(=O)c1ncc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cn1 ZINC001243009739 891577567 /nfs/dbraw/zinc/57/75/67/891577567.db2.gz BLSYVAUJNASNFY-UHFFFAOYSA-N -2 0 302.242 1.327 20 0 DDADRL O=S(=O)([O-])c1ccc([O-])c(-c2nnc([C@@H]3CCOC3)o2)c1 ZINC001255517339 896983570 /nfs/dbraw/zinc/98/35/70/896983570.db2.gz KFOCKVMGPUUCFL-SSDOTTSWSA-N -2 0 312.303 1.193 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]Cc1cc(C(=O)[O-])co1 ZINC000277065007 539280337 /nfs/dbraw/zinc/28/03/37/539280337.db2.gz IEUXPJFPHGKVHU-YFKPBYRVSA-N -2 0 301.242 1.348 20 0 DDADRL C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000314321586 354484731 /nfs/dbraw/zinc/48/47/31/354484731.db2.gz YRJJQBISJRAKAP-NKWVEPMBSA-N -2 0 320.298 1.121 20 0 DDADRL CC(C)Cc1nc(=NC(=O)c2ccc3oc(=O)nc-3[n-]2)s[n-]1 ZINC000618348905 363599988 /nfs/dbraw/zinc/59/99/88/363599988.db2.gz BIAOGCTZIOILAL-UHFFFAOYSA-N -2 0 319.346 1.653 20 0 DDADRL COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cc(F)cc(F)c1[O-] ZINC000603416042 359627847 /nfs/dbraw/zinc/62/78/47/359627847.db2.gz FCWOWHXVUQNTRE-UHFFFAOYSA-N -2 0 323.317 1.611 20 0 DDADRL O=C(CSc1n[n-]c(=S)s1)[N-]OCCC(F)(F)F ZINC000275161610 212161044 /nfs/dbraw/zinc/16/10/44/212161044.db2.gz CGLPZCUMZJYVDS-UHFFFAOYSA-N -2 0 319.355 1.919 20 0 DDADRL O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1cc(F)c([O-])c(F)c1)C2 ZINC000296698765 304215291 /nfs/dbraw/zinc/21/52/91/304215291.db2.gz BOJIQGYEJKZJPP-VFZGTOFNSA-N -2 0 311.284 1.997 20 0 DDADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000062946998 184262077 /nfs/dbraw/zinc/26/20/77/184262077.db2.gz MBNJEUPGIAMZOT-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000070312196 406813100 /nfs/dbraw/zinc/81/31/00/406813100.db2.gz USDZECBDIFUOLT-LURJTMIESA-N -2 0 311.281 1.636 20 0 DDADRL CCc1oncc1[N-]S(=O)(=O)Cc1ccccc1CC(=O)[O-] ZINC000357086599 409859478 /nfs/dbraw/zinc/85/94/78/409859478.db2.gz MFEQDTIUMMGTCS-UHFFFAOYSA-N -2 0 324.358 1.806 20 0 DDADRL Cc1ccc([N-]S(=O)(=O)c2cc(C)cnc2N)c(C(=O)[O-])c1 ZINC000347295725 410451932 /nfs/dbraw/zinc/45/19/32/410451932.db2.gz BWMKSJIPPPYAGO-UHFFFAOYSA-N -2 0 321.358 1.780 20 0 DDADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cnn(C(F)F)c2)c1 ZINC000361770875 418708054 /nfs/dbraw/zinc/70/80/54/418708054.db2.gz GXXOQVZRYCFBGA-UHFFFAOYSA-N -2 0 319.289 1.793 20 0 DDADRL CCn1cncc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1C ZINC000548539710 421448420 /nfs/dbraw/zinc/44/84/20/421448420.db2.gz JOHNFDYBGYRBCM-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL CN(CC(C)(C)C)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000548876833 421481450 /nfs/dbraw/zinc/48/14/50/421481450.db2.gz SFPXVQNZALEJQD-VHSXEESVSA-N -2 0 300.355 1.192 20 0 DDADRL Cn1ncc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1C(=O)[O-] ZINC000538742384 421742189 /nfs/dbraw/zinc/74/21/89/421742189.db2.gz LFWIZVPQFQSWON-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL O=C([O-])c1ccc(-n2[n-]c(=O)c3c(c2=O)CCCC3)cc1F ZINC000634630718 422516891 /nfs/dbraw/zinc/51/68/91/422516891.db2.gz CKDIPNYDGMQRNY-UHFFFAOYSA-N -2 0 304.277 1.654 20 0 DDADRL Cc1ncc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)n1C ZINC000629293865 422589013 /nfs/dbraw/zinc/58/90/13/422589013.db2.gz PYZKCSKJTVKGBV-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c1 ZINC000653278039 423415392 /nfs/dbraw/zinc/41/53/92/423415392.db2.gz CJCJXQTYDPEDQZ-MRXNPFEDSA-N -2 0 303.314 1.812 20 0 DDADRL O=C([O-])CCCCNC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659407733 423809589 /nfs/dbraw/zinc/80/95/89/423809589.db2.gz LNWUBTPRKHUCMT-UHFFFAOYSA-N -2 0 300.355 1.528 20 0 DDADRL CC(C)C[C@H](CNC(=O)NCC1(C(=O)[O-])CCC1)C(=O)[O-] ZINC000659408612 423810226 /nfs/dbraw/zinc/81/02/26/423810226.db2.gz AWNGPDXDUGIFPD-SNVBAGLBSA-N -2 0 300.355 1.287 20 0 DDADRL CC(C)[C@@H](CNC(=O)N1CCC(CCC(=O)[O-])CC1)C(=O)[O-] ZINC000659413703 423817137 /nfs/dbraw/zinc/81/71/37/423817137.db2.gz SJNKNHMFKMBUCE-GFCCVEGCSA-N -2 0 314.382 1.630 20 0 DDADRL COCc1nc(=N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)s[n-]1 ZINC000649403352 423862211 /nfs/dbraw/zinc/86/22/11/423862211.db2.gz AYCKATPJLACZNH-GHMZBOCLSA-N -2 0 305.359 1.832 20 0 DDADRL O=C([O-])C1(CNC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CCC1 ZINC000659785765 424254123 /nfs/dbraw/zinc/25/41/23/424254123.db2.gz VAVRXXPCACUBCI-UHFFFAOYSA-N -2 0 317.301 1.015 20 0 DDADRL O=C([O-])c1ccc(CNC(=O)NC[C@@H](C(=O)[O-])C2CCC2)cc1 ZINC000665313347 424780254 /nfs/dbraw/zinc/78/02/54/424780254.db2.gz HXXHRDWLIDNKIC-CYBMUJFWSA-N -2 0 320.345 1.685 20 0 DDADRL CC(C)C[C@H](CNC(=O)NC[C@@H](C(=O)[O-])C1CCC1)C(=O)[O-] ZINC000665313917 424780675 /nfs/dbraw/zinc/78/06/75/424780675.db2.gz YDUJNIPFEIRACQ-VXGBXAGGSA-N -2 0 314.382 1.533 20 0 DDADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000665316553 424781359 /nfs/dbraw/zinc/78/13/59/424781359.db2.gz IGSDGZKLZZFLRH-ADEWGFFLSA-N -2 0 312.366 1.240 20 0 DDADRL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000530473260 303198610 /nfs/dbraw/zinc/19/86/10/303198610.db2.gz DAGHOQCRPHXBPN-LLVKDONJSA-N -2 0 319.329 1.887 20 0 DDADRL COc1cccc(C(=O)N=c2nc(C3(C)CC3)[n-]s2)c1[O-] ZINC000529702366 307567387 /nfs/dbraw/zinc/56/73/87/307567387.db2.gz COAGXTVQTGWLTN-UHFFFAOYSA-N -2 0 305.359 1.978 20 0 DDADRL CCc1ccc([N-]S(=O)(=O)c2cncn2CC)c(C(=O)[O-])c1 ZINC000548537052 307775176 /nfs/dbraw/zinc/77/51/76/307775176.db2.gz HEIOCPYNTPTUCT-UHFFFAOYSA-N -2 0 323.374 1.964 20 0 DDADRL O=C([O-])c1cccc(CCN=c2[n-]c(C3CCOCC3)no2)c1 ZINC000569225850 308137336 /nfs/dbraw/zinc/13/73/36/308137336.db2.gz OMFCQWCNSOQZTM-UHFFFAOYSA-N -2 0 317.345 1.738 20 0 DDADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000663043297 484620944 /nfs/dbraw/zinc/62/09/44/484620944.db2.gz DKQSRVXLEGULIO-SNVBAGLBSA-N -2 0 319.321 1.053 20 0 DDADRL CC(C)C[C@H](CNC(=O)NCCC(C)(C)C(=O)[O-])C(=O)[O-] ZINC000424409174 528525345 /nfs/dbraw/zinc/52/53/45/528525345.db2.gz WULCMDOTMPONRD-SNVBAGLBSA-N -2 0 302.371 1.533 20 0 DDADRL CN(CC(=O)[O-])C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000818402707 596935359 /nfs/dbraw/zinc/93/53/59/596935359.db2.gz TVHYPCBGCBFHNS-UHFFFAOYSA-N -2 0 322.542 1.965 20 0 DDADRL O=C([O-])CS(=O)(=O)[N-]C(=O)c1cc(Cl)cc(Cl)c1 ZINC000739843088 600179688 /nfs/dbraw/zinc/17/96/88/600179688.db2.gz ZWHZZFYDUJBINT-UHFFFAOYSA-N -2 0 312.130 1.138 20 0 DDADRL CCOc1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1 ZINC000737195889 600463019 /nfs/dbraw/zinc/46/30/19/600463019.db2.gz YXUGXIXDRCXNGE-UHFFFAOYSA-N -2 0 315.347 1.010 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(Cl)cc1 ZINC000739690773 600464252 /nfs/dbraw/zinc/46/42/52/600464252.db2.gz BCPIPCPNFWLSJC-UHFFFAOYSA-N -2 0 305.739 1.264 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cc1 ZINC000736965418 600520039 /nfs/dbraw/zinc/52/00/39/600520039.db2.gz QQCJXNHIHZHDJM-SNVBAGLBSA-N -2 0 313.375 1.881 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C)n2)cc1C(=O)[O-] ZINC000314276139 600658463 /nfs/dbraw/zinc/65/84/63/600658463.db2.gz AXQOSDYIDIYSHE-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL CCc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)s1 ZINC000830299525 600829988 /nfs/dbraw/zinc/82/99/88/600829988.db2.gz SATLXHFZCNYJGI-UHFFFAOYSA-N -2 0 315.376 1.543 20 0 DDADRL CCc1csc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1 ZINC000830299770 600978917 /nfs/dbraw/zinc/97/89/17/600978917.db2.gz WDUVKSPZDPMBGX-UHFFFAOYSA-N -2 0 301.349 1.533 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])nc1 ZINC000832419662 600985867 /nfs/dbraw/zinc/98/58/67/600985867.db2.gz WWVYIRISEFJLPN-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL CCCn1nccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000829591730 601767418 /nfs/dbraw/zinc/76/74/18/601767418.db2.gz XFLZPGNRZYTDET-UHFFFAOYSA-N -2 0 316.364 1.249 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1n[nH]c2ccccc21 ZINC000833345942 601769519 /nfs/dbraw/zinc/76/95/19/601769519.db2.gz ICYZZIFGHDLTKA-UHFFFAOYSA-N -2 0 324.343 1.518 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])n(C)n1 ZINC000832899748 601847720 /nfs/dbraw/zinc/84/77/20/601847720.db2.gz PVHZLRFZNOZSSX-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL Cc1nc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)s1 ZINC000832996014 601848006 /nfs/dbraw/zinc/84/80/06/601848006.db2.gz OWBJPWXQYCSPLX-UHFFFAOYSA-N -2 0 313.360 1.654 20 0 DDADRL O=C([O-])c1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1Cl ZINC000392317156 602364878 /nfs/dbraw/zinc/36/48/78/602364878.db2.gz JPPMJGABLHZXJN-UHFFFAOYSA-N -2 0 311.685 1.184 20 0 DDADRL CC(C)CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000824245917 603441698 /nfs/dbraw/zinc/44/16/98/603441698.db2.gz YFURQOFKBDDIIE-GHMZBOCLSA-N -2 0 320.411 1.305 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)CC1(NC(=O)[O-])CCC1 ZINC000826572377 604256805 /nfs/dbraw/zinc/25/68/05/604256805.db2.gz VPJFMELJPCTSRQ-UHFFFAOYSA-N -2 0 320.411 1.449 20 0 DDADRL CC(C)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833472821 605118052 /nfs/dbraw/zinc/11/80/52/605118052.db2.gz CYBPEXGQQVZOCT-UHFFFAOYSA-N -2 0 319.766 1.889 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])C1 ZINC000834060778 605310540 /nfs/dbraw/zinc/31/05/40/605310540.db2.gz WBJRMWONJCVJBB-TUAOUCFPSA-N -2 0 312.366 1.526 20 0 DDADRL O=C([O-])NC1(CNS(=O)(=O)c2cc(F)ccc2F)CCC1 ZINC000834156012 605407740 /nfs/dbraw/zinc/40/77/40/605407740.db2.gz UDNYMEMLKZEVTM-UHFFFAOYSA-N -2 0 320.317 1.433 20 0 DDADRL O=C([O-])N1CC[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000834018004 605856160 /nfs/dbraw/zinc/85/61/60/605856160.db2.gz XHHLDCFLZCHANO-YFKPBYRVSA-N -2 0 304.224 1.292 20 0 DDADRL O=C([O-])N(CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)C1CC1 ZINC000834003575 605973262 /nfs/dbraw/zinc/97/32/62/605973262.db2.gz KVVONTRDHDPZCW-UHFFFAOYSA-N -2 0 318.289 1.111 20 0 DDADRL O=C([O-])N[C@@H](CNC(=O)c1c([O-])cc(F)cc1F)C1CC1 ZINC000834146074 605996283 /nfs/dbraw/zinc/99/62/83/605996283.db2.gz FNAKTLFKUMGERG-VIFPVBQESA-N -2 0 300.261 1.446 20 0 DDADRL O=C([O-])C[C@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000834060901 606031919 /nfs/dbraw/zinc/03/19/19/606031919.db2.gz MIURRVJMUREYOP-PWSUYJOCSA-N -2 0 324.308 1.458 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)C1 ZINC000834163621 606035104 /nfs/dbraw/zinc/03/51/04/606035104.db2.gz LMOPFMKZWDUZGY-GMTAPVOTSA-N -2 0 310.350 1.136 20 0 DDADRL O=C([O-])CC1(NC(=O)c2ccc(CNC(=O)[O-])cc2)CCC1 ZINC000834061316 606052793 /nfs/dbraw/zinc/05/27/93/606052793.db2.gz SUVWDRSDOAECHF-UHFFFAOYSA-N -2 0 306.318 1.581 20 0 DDADRL C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@H]1CCN(C(=O)[O-])C1)c1ccccc1 ZINC000833788827 606053209 /nfs/dbraw/zinc/05/32/09/606053209.db2.gz DHKLLNKXEQEBPD-WCFLWFBJSA-N -2 0 320.345 1.565 20 0 DDADRL O=C([O-])C[C@H](NC(=O)C[C@H](NC(=O)[O-])c1ccccc1)C1CC1 ZINC000834061175 606054485 /nfs/dbraw/zinc/05/44/85/606054485.db2.gz PUFDRUZXLUZVRT-STQMWFEESA-N -2 0 320.345 1.755 20 0 DDADRL CC(C)C[C@H](CNC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)C(=O)[O-] ZINC000833793858 606064537 /nfs/dbraw/zinc/06/45/37/606064537.db2.gz HVIMFDAQXKKDBA-NXEZZACHSA-N -2 0 302.371 1.532 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])c1 ZINC000834064593 606066476 /nfs/dbraw/zinc/06/64/76/606066476.db2.gz CJHKXSNDXMCNCU-NEPJUHHUSA-N -2 0 306.318 1.689 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000834059832 606113665 /nfs/dbraw/zinc/11/36/65/606113665.db2.gz LIDZXEPDMCIQBC-RYUDHWBXSA-N -2 0 312.366 1.526 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000816731833 702168258 /nfs/dbraw/zinc/16/82/58/702168258.db2.gz HKWKKLKNZBROLA-UHFFFAOYSA-N -2 0 321.680 1.382 20 0 DDADRL CC(F)(F)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000840890750 702272275 /nfs/dbraw/zinc/27/22/75/702272275.db2.gz OLVIYUJEKJPVNW-UHFFFAOYSA-N -2 0 315.244 1.597 20 0 DDADRL O=C([O-])C1CCC(NC(=O)C(=O)[N-]OC2CCCCC2)CC1 ZINC000817114801 702274814 /nfs/dbraw/zinc/27/48/14/702274814.db2.gz KWKKHNIXUUMNKP-UHFFFAOYSA-N -2 0 312.366 1.127 20 0 DDADRL CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000817880697 702507515 /nfs/dbraw/zinc/50/75/15/702507515.db2.gz CPDZIYBKAGCYCC-LLVKDONJSA-N -2 0 322.361 1.736 20 0 DDADRL Cn1nc([N-]S(=O)(=O)CCc2ccccc2)cc1C(=O)[O-] ZINC000821090467 704370734 /nfs/dbraw/zinc/37/07/34/704370734.db2.gz YHHCBKHGNKNFFB-UHFFFAOYSA-N -2 0 309.347 1.103 20 0 DDADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000863954050 706045437 /nfs/dbraw/zinc/04/54/37/706045437.db2.gz JWXLOGFRSKWEGE-JTQLQIEISA-N -2 0 305.396 1.512 20 0 DDADRL O=C([O-])[C@@H]1CCN(C(=O)N2CCc3ccccc32)C[C@@H]1C(=O)[O-] ZINC000899923824 709238545 /nfs/dbraw/zinc/23/85/45/709238545.db2.gz MZYMPABKHHHSQL-NEPJUHHUSA-N -2 0 318.329 1.276 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)C=C2CCSCC2)C1 ZINC000910184943 709801476 /nfs/dbraw/zinc/80/14/76/709801476.db2.gz SOCXHMAABDCOQL-GHMZBOCLSA-N -2 0 313.375 1.216 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@H]2CCCCS2)C1 ZINC000910185838 709801825 /nfs/dbraw/zinc/80/18/25/709801825.db2.gz YXJYFQVWPHYVIT-KXUCPTDWSA-N -2 0 301.364 1.049 20 0 DDADRL C[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910185278 709801932 /nfs/dbraw/zinc/80/19/32/709801932.db2.gz WCNJCDVYVSZMSF-UBHSHLNASA-N -2 0 319.357 1.642 20 0 DDADRL Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1C ZINC000910185849 709801982 /nfs/dbraw/zinc/80/19/82/709801982.db2.gz LOKMMAOSXIBYED-QWHCGFSZSA-N -2 0 305.330 1.693 20 0 DDADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2(C(=O)[O-])CCSCC2)C1 ZINC000901658073 710111368 /nfs/dbraw/zinc/11/13/68/710111368.db2.gz WYGBFCMZFWMINP-VHSXEESVSA-N -2 0 315.391 1.154 20 0 DDADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000905998806 712215734 /nfs/dbraw/zinc/21/57/34/712215734.db2.gz FAIMJCRRHOGJKT-UHFFFAOYSA-N -2 0 315.244 1.104 20 0 DDADRL C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000907732119 712619821 /nfs/dbraw/zinc/61/98/21/712619821.db2.gz RJTIKXJTBWFFTP-ISFYIQIJSA-N -2 0 309.362 1.445 20 0 DDADRL Cc1ccc(S(=O)(=O)N(C)CCCC(=O)[O-])cc1C(=O)[O-] ZINC000916567583 713458077 /nfs/dbraw/zinc/45/80/77/713458077.db2.gz RTRABQYRGKJBFI-UHFFFAOYSA-N -2 0 315.347 1.179 20 0 DDADRL COc1cnc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cn1 ZINC001184662897 744079868 /nfs/dbraw/zinc/07/98/68/744079868.db2.gz DFQLLTWNJPGFIJ-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)ncnc1C ZINC001185878031 744307240 /nfs/dbraw/zinc/30/72/40/744307240.db2.gz XUWFPIRBNGKOIH-UHFFFAOYSA-N -2 0 321.358 1.901 20 0 DDADRL CCn1cnc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC001186151069 744351637 /nfs/dbraw/zinc/35/16/37/744351637.db2.gz RQNUMXFDUZKQNU-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])N[C@@H]1CCCc2ccccc21 ZINC001186477053 744400690 /nfs/dbraw/zinc/40/06/90/744400690.db2.gz WKWHZHLFNWBYEA-GFCCVEGCSA-N -2 0 314.278 1.473 20 0 DDADRL C[C@H]1COCC[C@@H]1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189898450 745047630 /nfs/dbraw/zinc/04/76/30/745047630.db2.gz CEWHXUSYFBTBAG-ONGXEEELSA-N -2 0 315.262 1.313 20 0 DDADRL C[C@@H](NC(=O)c1ccccc1OP(=O)([O-])[O-])c1cncnc1 ZINC001189899450 745048335 /nfs/dbraw/zinc/04/83/35/745048335.db2.gz BTDOADMXFUJVDB-SECBINFHSA-N -2 0 323.245 1.439 20 0 DDADRL CCOc1ccc(S(=O)(=O)NC2=CC=C[CH]2)cc1C(=O)[O-] ZINC001192670780 745856097 /nfs/dbraw/zinc/85/60/97/745856097.db2.gz ZBPODJJRGKLFEM-UHFFFAOYSA-N -2 0 308.335 1.720 20 0 DDADRL Cc1cccc(NC(=S)NCCOP(=O)([O-])[O-])c1C ZINC001196433703 746859338 /nfs/dbraw/zinc/85/93/38/746859338.db2.gz DDNRPJJYZKDDHK-UHFFFAOYSA-N -2 0 304.308 1.699 20 0 DDADRL CCc1ccccc1NC(=S)NCCOP(=O)([O-])[O-] ZINC001201153028 748422085 /nfs/dbraw/zinc/42/20/85/748422085.db2.gz HYCQHVWUDMIYQP-UHFFFAOYSA-N -2 0 304.308 1.645 20 0 DDADRL COC(=O)c1cncc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001176239579 778089969 /nfs/dbraw/zinc/08/99/69/778089969.db2.gz PVJGOVBQWMPWBN-UHFFFAOYSA-N -2 0 317.257 1.403 20 0 DDADRL COC(=O)c1cc(Cl)nc(NCCOP(=O)([O-])[O-])c1 ZINC001157787206 864138506 /nfs/dbraw/zinc/13/85/06/864138506.db2.gz FKKIZKISBXQIHG-UHFFFAOYSA-N -2 0 310.630 1.043 20 0 DDADRL COC(=O)c1nc(NCCOP(=O)([O-])[O-])ccc1Cl ZINC001157790604 864144046 /nfs/dbraw/zinc/14/40/46/864144046.db2.gz BMAJQPZXODLSLT-UHFFFAOYSA-N -2 0 310.630 1.043 20 0 DDADRL CC(C)OC(=O)c1cccnc1NCCOP(=O)([O-])[O-] ZINC001157795468 864149692 /nfs/dbraw/zinc/14/96/92/864149692.db2.gz FEYNXJUZLQEFAY-UHFFFAOYSA-N -2 0 304.239 1.168 20 0 DDADRL O=P([O-])([O-])OCCNc1cc2nc(Cl)cnc2cc1F ZINC001157795651 864149739 /nfs/dbraw/zinc/14/97/39/864149739.db2.gz JKIBXWVGNDNJEQ-UHFFFAOYSA-N -2 0 321.632 1.944 20 0 DDADRL O=C([O-])C[C@H](C(=O)OCCCCc1ccccc1)[C@@H](O)C(=O)[O-] ZINC001209833636 875139610 /nfs/dbraw/zinc/13/96/10/875139610.db2.gz ROGSGOZSHLPAJH-GXTWGEPZSA-N -2 0 324.329 1.089 20 0 DDADRL CC(C)(C)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227472028 883033440 /nfs/dbraw/zinc/03/34/40/883033440.db2.gz JSSJPHLSAKSOQI-TVQRCGJNSA-N -2 0 324.329 1.426 20 0 DDADRL CCCCc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1 ZINC001227620404 883109809 /nfs/dbraw/zinc/10/98/09/883109809.db2.gz GGXSZEJELPZLAK-GFCCVEGCSA-N -2 0 318.262 1.405 20 0 DDADRL O=C([O-])C[C@@H](C(=O)OCc1cc2ccccc2o1)[C@@H](O)C(=O)[O-] ZINC001223640167 881036886 /nfs/dbraw/zinc/03/68/86/881036886.db2.gz IWBSSMSQJJUIMJ-ZWNOBZJWSA-N -2 0 322.269 1.012 20 0 DDADRL O=C([O-])C[C@@H](C(=O)OCc1cc2ccccc2o1)[C@H](O)C(=O)[O-] ZINC001223640166 881038101 /nfs/dbraw/zinc/03/81/01/881038101.db2.gz IWBSSMSQJJUIMJ-MFKMUULPSA-N -2 0 322.269 1.012 20 0 DDADRL O=C([O-])C[C@H](C(=O)Oc1cccc2c1CCCC2)[C@@H](O)C(=O)[O-] ZINC001227687279 883130768 /nfs/dbraw/zinc/13/07/68/883130768.db2.gz CQAINIQMHBFZMV-SMDDNHRTSA-N -2 0 322.313 1.007 20 0 DDADRL O=C(Nc1nccc(Br)c1[O-])c1ncccc1[O-] ZINC001363499314 886493571 /nfs/dbraw/zinc/49/35/71/886493571.db2.gz VQPBHMPEYYORKD-UHFFFAOYSA-N -2 0 310.107 1.903 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3c(c2)CC(=O)NC3)c1 ZINC001242163802 891358582 /nfs/dbraw/zinc/35/85/82/891358582.db2.gz MCKFOTDCYNFYCM-UHFFFAOYSA-N -2 0 311.293 1.922 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccon2)c(F)cc1Cl ZINC001259212801 898536181 /nfs/dbraw/zinc/53/61/81/898536181.db2.gz ZJKBGGXPLCVYTL-UHFFFAOYSA-N -2 0 320.685 1.966 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2cc([O-])c(F)c(F)c2)cn1 ZINC001259838117 898852636 /nfs/dbraw/zinc/85/26/36/898852636.db2.gz VHPRHJMIPLMATB-UHFFFAOYSA-N -2 0 303.290 1.688 20 0 DDADRL Cc1cc(C)c([N-]S(=O)(=O)C(F)F)c(S(=O)(=O)[O-])c1 ZINC001259957850 898979863 /nfs/dbraw/zinc/97/98/63/898979863.db2.gz FDSLOPLYGQLPDF-UHFFFAOYSA-N -2 0 315.319 1.514 20 0 DDADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc([O-])c(F)c(F)c1 ZINC001260111420 899059033 /nfs/dbraw/zinc/05/90/33/899059033.db2.gz ZOCFUSFTQIKVMD-UHFFFAOYSA-N -2 0 317.317 1.822 20 0 DDADRL O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000013469616 352148416 /nfs/dbraw/zinc/14/84/16/352148416.db2.gz XYKLOOPNRKJLAP-NXEZZACHSA-N -2 0 306.274 1.906 20 0 DDADRL O=C([O-])CSCC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000595998711 356741064 /nfs/dbraw/zinc/74/10/64/356741064.db2.gz VYMPBZMESWNSIS-LLVKDONJSA-N -2 0 309.343 1.015 20 0 DDADRL Cc1nc(C=Cc2cccc(C(=O)[O-])c2)[nH]c(=O)c1CC(=O)[O-] ZINC000349109674 283848018 /nfs/dbraw/zinc/84/80/18/283848018.db2.gz OHFYPESUELHLHC-WAYWQWQTSA-N -2 0 314.297 1.986 20 0 DDADRL C[C@@H]1CN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC[C@H]1C(=O)[O-] ZINC000626773359 367738544 /nfs/dbraw/zinc/73/85/44/367738544.db2.gz NOHWKBGQXLDBLJ-JLLWLGSASA-N -2 0 312.366 1.240 20 0 DDADRL CC(C)Cn1cnc(S(=O)(=O)N[C@@](C)(C(=O)[O-])C2CC2)c1 ZINC000566676477 304175429 /nfs/dbraw/zinc/17/54/29/304175429.db2.gz PJJKYXOIGFHTIP-CYBMUJFWSA-N -2 0 315.395 1.071 20 0 DDADRL Cn1cnc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])c1 ZINC000061564264 184174392 /nfs/dbraw/zinc/17/43/92/184174392.db2.gz NTDQGWBJDBJPGY-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL CCC[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000037908980 406995502 /nfs/dbraw/zinc/99/55/02/406995502.db2.gz LPGIKUGAUCVBME-VIFPVBQESA-N -2 0 311.281 1.636 20 0 DDADRL Cc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)s1 ZINC000268022028 407860674 /nfs/dbraw/zinc/86/06/74/407860674.db2.gz WANMMMQAPDDBQD-UHFFFAOYSA-N -2 0 315.376 1.597 20 0 DDADRL CC(C)n1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cn1 ZINC000356696581 409531560 /nfs/dbraw/zinc/53/15/60/409531560.db2.gz FULQFTATGQASGI-UHFFFAOYSA-N -2 0 309.347 1.963 20 0 DDADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(C)c(C(=O)[O-])c1 ZINC000349086483 409683990 /nfs/dbraw/zinc/68/39/90/409683990.db2.gz RWWGQAVIVDKKJB-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL Cc1noc(C)c1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000354601139 409962778 /nfs/dbraw/zinc/96/27/78/409962778.db2.gz FLSLDGRJEMIYBI-UHFFFAOYSA-N -2 0 302.333 1.852 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cnn1C ZINC000341290816 410985001 /nfs/dbraw/zinc/98/50/01/410985001.db2.gz ZRAUKZGWBSCYNM-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cn1 ZINC000436995159 420391907 /nfs/dbraw/zinc/39/19/07/420391907.db2.gz PMZRLXYADRNHJP-UHFFFAOYSA-N -2 0 311.319 1.108 20 0 DDADRL CCn1nccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000471943966 420959313 /nfs/dbraw/zinc/95/93/13/420959313.db2.gz PKCNJTHHCGZEKQ-UHFFFAOYSA-N -2 0 311.319 1.108 20 0 DDADRL C[C@@H]([C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-])C1CC1 ZINC000548992439 421489955 /nfs/dbraw/zinc/48/99/55/421489955.db2.gz OZNPVARPPNXOCS-RDDDGLTNSA-N -2 0 319.329 1.742 20 0 DDADRL COCc1n[n-]c(=NCc2ccc(OC)c(C(=O)[O-])c2)s1 ZINC000521050132 421771058 /nfs/dbraw/zinc/77/10/58/421771058.db2.gz BAEKNTBYIJWKQQ-UHFFFAOYSA-N -2 0 309.347 1.425 20 0 DDADRL C[C@H]1CCCN(S(=O)(=O)c2cc([O-])cc(F)c2)[C@H]1C(=O)[O-] ZINC000630445679 422108730 /nfs/dbraw/zinc/10/87/30/422108730.db2.gz ZKACIKJXBFBMGN-QPUJVOFHSA-N -2 0 317.338 1.405 20 0 DDADRL COc1ncc(-c2ccc(C(=O)[O-])c(C3(C(=O)[O-])CC3)c2)cn1 ZINC000578380066 422558597 /nfs/dbraw/zinc/55/85/97/422558597.db2.gz QTTFSMTZZWTJFC-UHFFFAOYSA-N -2 0 314.297 1.967 20 0 DDADRL CC(C)C[C@H](CNC(=O)N1CC[C@@H](C(=O)[O-])C1)CC(=O)[O-] ZINC000659415657 423820434 /nfs/dbraw/zinc/82/04/34/423820434.db2.gz OUAJPGLYGISBDL-WDEREUQCSA-N -2 0 300.355 1.240 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cn1 ZINC000362123594 300011386 /nfs/dbraw/zinc/01/13/86/300011386.db2.gz GTVIRHDMPGHIFS-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL O=C([O-])c1ccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cc1 ZINC000567501722 308082574 /nfs/dbraw/zinc/08/25/74/308082574.db2.gz DRXHTILEEHJWJD-NSHDSACASA-N -2 0 316.317 1.228 20 0 DDADRL CC(C)C[C@@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C(=O)[O-] ZINC000579837941 308561012 /nfs/dbraw/zinc/56/10/12/308561012.db2.gz ZSZSJUHLFSXJOJ-LLVKDONJSA-N -2 0 319.317 1.259 20 0 DDADRL C[C@H](CNC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)C(=O)[O-] ZINC000655885928 483977725 /nfs/dbraw/zinc/97/77/25/483977725.db2.gz ZSWVYULSCWCYQT-SSDOTTSWSA-N -2 0 324.362 1.259 20 0 DDADRL Cc1cc(F)cc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c1 ZINC000540291143 484311338 /nfs/dbraw/zinc/31/13/38/484311338.db2.gz FYMBLLNOEJERRM-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL O=C([O-])c1cc(F)cc(S(=O)(=O)N[C@@H]2CCCC2(F)F)c1 ZINC000672775094 485346241 /nfs/dbraw/zinc/34/62/41/485346241.db2.gz QWFZWMRQJDAZOI-SNVBAGLBSA-N -2 0 323.292 1.990 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-])c(C)c1 ZINC000738653518 599797110 /nfs/dbraw/zinc/79/71/10/599797110.db2.gz WYFJCKASLQOVRS-UHFFFAOYSA-N -2 0 314.363 1.156 20 0 DDADRL O=C([O-])c1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)ccn1 ZINC000821458201 598195775 /nfs/dbraw/zinc/19/57/75/598195775.db2.gz PNVGOYXPGXSKSD-LBPRGKRZSA-N -2 0 300.270 1.336 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1F ZINC000037290588 599736731 /nfs/dbraw/zinc/73/67/31/599736731.db2.gz CSRHRKFGYZUTHW-UHFFFAOYSA-N -2 0 315.278 1.926 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)ccc1C(N)=O ZINC000738463829 599739975 /nfs/dbraw/zinc/73/99/75/599739975.db2.gz WRAYGSQRSUTWRM-UHFFFAOYSA-N -2 0 324.314 1.186 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000740242793 599925442 /nfs/dbraw/zinc/92/54/42/599925442.db2.gz UXKSFDPQGUWDGL-UHFFFAOYSA-N -2 0 319.342 1.853 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1C(=O)[O-] ZINC000738828214 600231034 /nfs/dbraw/zinc/23/10/34/600231034.db2.gz RVYCPCCHWMFNLJ-UHFFFAOYSA-N -2 0 321.358 1.706 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)Cc1ccccc1Cl ZINC000739693591 600463788 /nfs/dbraw/zinc/46/37/88/600463788.db2.gz ZVJUVKCFMDAENK-UHFFFAOYSA-N -2 0 319.766 1.193 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)Cc1c[nH]c2ccccc12 ZINC000739693293 600466038 /nfs/dbraw/zinc/46/60/38/600466038.db2.gz XXMAEEIEMMCFPT-UHFFFAOYSA-N -2 0 324.358 1.021 20 0 DDADRL C[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1cccs1 ZINC000736217200 600510615 /nfs/dbraw/zinc/51/06/15/600510615.db2.gz WYFKBLOTDLNHEJ-MRVPVSSYSA-N -2 0 305.377 1.162 20 0 DDADRL Cc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1C ZINC000035651638 600672964 /nfs/dbraw/zinc/67/29/64/600672964.db2.gz GEUUEIJZZIIBAF-UHFFFAOYSA-N -2 0 309.347 1.385 20 0 DDADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cnoc2)c1 ZINC000740076362 600892633 /nfs/dbraw/zinc/89/26/33/600892633.db2.gz XXLDJUBJASFDLP-UHFFFAOYSA-N -2 0 302.695 1.827 20 0 DDADRL CC[C@@](C)(NC(=O)CSc1n[n-]c(=S)s1)C(=O)[O-] ZINC000828686301 601198881 /nfs/dbraw/zinc/19/88/81/601198881.db2.gz ZCXTUMQUGJBDQN-SECBINFHSA-N -2 0 307.422 1.288 20 0 DDADRL Cc1oc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)cc1C(=O)[O-] ZINC000833030495 601231741 /nfs/dbraw/zinc/23/17/41/601231741.db2.gz ZHOORWBVKNEETQ-UHFFFAOYSA-N -2 0 324.314 1.186 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cc(F)cc(Cl)c1 ZINC000833227701 601770359 /nfs/dbraw/zinc/77/03/59/601770359.db2.gz AKSJVHJAAUXKEZ-UHFFFAOYSA-N -2 0 323.729 1.404 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=NCc2cccc(C(=O)[O-])c2)cc1 ZINC000832909115 601934928 /nfs/dbraw/zinc/93/49/28/601934928.db2.gz ICBCBNVOGCIRON-UHFFFAOYSA-N -2 0 309.329 1.703 20 0 DDADRL C[C@H](CC(=O)[O-])C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000827246890 602083978 /nfs/dbraw/zinc/08/39/78/602083978.db2.gz GZEBAGBCSANBGU-SSDOTTSWSA-N -2 0 309.347 1.466 20 0 DDADRL Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CN(C)C(=O)[O-])c1 ZINC000830526950 604250341 /nfs/dbraw/zinc/25/03/41/604250341.db2.gz DVVSWIYCGAOOPN-JTQLQIEISA-N -2 0 314.363 1.046 20 0 DDADRL Cc1ccc(NC(=O)C(=O)[N-]OCC(F)(F)F)cc1C(=O)[O-] ZINC000832943379 604425014 /nfs/dbraw/zinc/42/50/14/604425014.db2.gz XFUQGKXIEBFOHE-UHFFFAOYSA-N -2 0 320.223 1.242 20 0 DDADRL CC(C)(C(=O)[O-])[C@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccccc1 ZINC000826105795 604707710 /nfs/dbraw/zinc/70/77/10/604707710.db2.gz JSCNAYYNRPTSPX-SECBINFHSA-N -2 0 304.306 1.092 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])nc1C ZINC000833683328 605204582 /nfs/dbraw/zinc/20/45/82/605204582.db2.gz LLPZVQWOCZANIJ-UHFFFAOYSA-N -2 0 315.376 1.772 20 0 DDADRL C[C@@H](C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1)C1CCCC1 ZINC000823701371 605273299 /nfs/dbraw/zinc/27/32/99/605273299.db2.gz DGAIRCOXSZTPCU-KOLCDFICSA-N -2 0 318.395 1.011 20 0 DDADRL O=C([O-])N[C@H]1CC[C@H](C(=O)NCCc2cccc(C(=O)[O-])c2)C1 ZINC000834168944 605308223 /nfs/dbraw/zinc/30/82/23/605308223.db2.gz JNHOVLBYHWDUMI-AAEUAGOBSA-N -2 0 320.345 1.480 20 0 DDADRL O=C([O-])CC[C@H]1CCCN(C(=O)C[C@H]2CCCN2C(=O)[O-])C1 ZINC000834060040 605309496 /nfs/dbraw/zinc/30/94/96/605309496.db2.gz MYVCPUIPAJCQBP-VXGBXAGGSA-N -2 0 312.366 1.622 20 0 DDADRL C[C@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833608988 605483041 /nfs/dbraw/zinc/48/30/41/605483041.db2.gz PEDZEFWRQNXVKU-YUMQZZPRSA-N -2 0 317.388 1.687 20 0 DDADRL O=C([O-])N1CCc2ccccc2[C@H]1C(=O)[N-]OCC(F)(F)F ZINC000831742494 605799902 /nfs/dbraw/zinc/79/99/02/605799902.db2.gz HXPZORKWXVABMX-JTQLQIEISA-N -2 0 318.251 1.874 20 0 DDADRL O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)c1ccc(F)cc1[O-])CC2 ZINC000834287646 605832394 /nfs/dbraw/zinc/83/23/94/605832394.db2.gz PODZKPFENAIYDL-MNOVXSKESA-N -2 0 308.309 1.888 20 0 DDADRL O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000834187749 605956543 /nfs/dbraw/zinc/95/65/43/605956543.db2.gz ZCTIJLFUHGSVHN-DTWKUNHWSA-N -2 0 312.326 1.160 20 0 DDADRL O=C([O-])Cc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000834068082 606052711 /nfs/dbraw/zinc/05/27/11/606052711.db2.gz JPIRGNUDBKCKEG-LLVKDONJSA-N -2 0 306.318 1.642 20 0 DDADRL O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000834150606 606063710 /nfs/dbraw/zinc/06/37/10/606063710.db2.gz QJZSCNUIIACUNR-LBPRGKRZSA-N -2 0 320.345 1.236 20 0 DDADRL O=C(CC1CN(C(=O)[O-])C1)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000833986888 606069251 /nfs/dbraw/zinc/06/92/51/606069251.db2.gz BOYSGHHKDQVOFY-NEPJUHHUSA-N -2 0 312.366 1.526 20 0 DDADRL CC(C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1)=C1CCCC1 ZINC000833789757 606089677 /nfs/dbraw/zinc/08/96/77/606089677.db2.gz KWPOVROLJPOCFJ-NSHDSACASA-N -2 0 316.379 1.075 20 0 DDADRL CCCCCC[C@](C)(NC(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)[O-] ZINC000833854243 606112930 /nfs/dbraw/zinc/11/29/30/606112930.db2.gz WMQLBEUOJMZHKN-NHYWBVRUSA-N -2 0 314.382 1.916 20 0 DDADRL Cc1oc(C)c(S(=O)(=O)N[C@@H](C)C(F)(F)F)c1C(=O)[O-] ZINC000389207512 699087708 /nfs/dbraw/zinc/08/77/08/699087708.db2.gz HFZFCLAKJCFFAC-LURJTMIESA-N -2 0 315.269 1.824 20 0 DDADRL Cc1oc(-c2ccccc2)nc1C(=O)[N-]n1c(=O)[n-][nH]c1=O ZINC000816731201 702167473 /nfs/dbraw/zinc/16/74/73/702167473.db2.gz FTYOBNYCVBNBGI-UHFFFAOYSA-N -2 0 301.262 1.037 20 0 DDADRL O=C([O-])C1=CC[C@@H]([N-]S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000853070136 704191925 /nfs/dbraw/zinc/19/19/25/704191925.db2.gz VJNODOUSZSLZIP-MRVPVSSYSA-N -2 0 321.276 1.556 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])c(C)s1 ZINC000863953894 706045368 /nfs/dbraw/zinc/04/53/68/706045368.db2.gz CNHBKGVVXFFONA-UHFFFAOYSA-N -2 0 305.377 1.281 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000863953264 706045377 /nfs/dbraw/zinc/04/53/77/706045377.db2.gz QQAJRRJJGVBWPR-JLVNDZCYSA-N -2 0 311.359 1.460 20 0 DDADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000863958457 706046787 /nfs/dbraw/zinc/04/67/87/706046787.db2.gz YZIKVYKEICMCSQ-UHFFFAOYSA-N -2 0 320.754 1.185 20 0 DDADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1sccc1C ZINC000863960900 706046920 /nfs/dbraw/zinc/04/69/20/706046920.db2.gz CJETWYWHFFNTPA-UHFFFAOYSA-N -2 0 319.404 1.752 20 0 DDADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)CCC2CCCC2)CCC1 ZINC000863963508 706047392 /nfs/dbraw/zinc/04/73/92/706047392.db2.gz YWNCYUHWXGDMPG-UHFFFAOYSA-N -2 0 303.380 1.268 20 0 DDADRL CC(C)n1cccc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910183453 709801098 /nfs/dbraw/zinc/80/10/98/709801098.db2.gz BKLGCKUVRDFNIV-JQWIXIFHSA-N -2 0 308.334 1.459 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(C2CC2)cc1 ZINC000910185086 709801588 /nfs/dbraw/zinc/80/15/88/709801588.db2.gz YKRQZUJHIOOBSV-UONOGXRCSA-N -2 0 317.341 1.954 20 0 DDADRL Cc1ccc(CCC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC000910187795 709802939 /nfs/dbraw/zinc/80/29/39/709802939.db2.gz GYJLFBDWXYFJGR-ZIAGYGMSSA-N -2 0 319.357 1.704 20 0 DDADRL O=C([O-])C1CCC(N=c2nn[n-]n2Cc2ccccc2)CC1 ZINC000910411726 709927659 /nfs/dbraw/zinc/92/76/59/709927659.db2.gz WEINAAIGEVUZFQ-UHFFFAOYSA-N -2 0 301.350 1.199 20 0 DDADRL C[C@H]1CN(C(=O)C2(C(=O)[O-])CCSCC2)CC[C@H]1C(=O)[O-] ZINC000902178944 710650447 /nfs/dbraw/zinc/65/04/47/710650447.db2.gz NGWAACXJLXPBTQ-VHSXEESVSA-N -2 0 315.391 1.154 20 0 DDADRL CCc1cc(=O)[nH]c(CN[C@@H](C(=O)[O-])c2ccccc2F)n1 ZINC000905378701 712021327 /nfs/dbraw/zinc/02/13/27/712021327.db2.gz OHNRKHDITLKCMN-CQSZACIVSA-N -2 0 305.309 1.799 20 0 DDADRL CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000906788779 712411814 /nfs/dbraw/zinc/41/18/14/712411814.db2.gz NELBNOLWEPOHCC-MRVPVSSYSA-N -2 0 321.782 1.919 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cccnc1-c1ccccc1 ZINC001187824619 744609539 /nfs/dbraw/zinc/60/95/39/744609539.db2.gz RRTLGQNFVQDECI-UHFFFAOYSA-N -2 0 322.257 1.588 20 0 DDADRL Cc1nccnc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192106985 745692253 /nfs/dbraw/zinc/69/22/53/745692253.db2.gz SXPDILYGBZJGFN-UHFFFAOYSA-N -2 0 321.358 1.603 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1nc2c(cccc2F)s1 ZINC001152637801 747907098 /nfs/dbraw/zinc/90/70/98/747907098.db2.gz SADNJOXFUKXHAH-UHFFFAOYSA-N -2 0 320.238 1.275 20 0 DDADRL Cc1ccc(-c2cnnc(NCCOP(=O)([O-])[O-])n2)cc1 ZINC001168587667 751185764 /nfs/dbraw/zinc/18/57/64/751185764.db2.gz UVFYIXJOUZZMEK-UHFFFAOYSA-N -2 0 310.250 1.368 20 0 DDADRL CCOC(=O)CCc1cccnc1NCCOP(=O)([O-])[O-] ZINC001168589735 751204188 /nfs/dbraw/zinc/20/41/88/751204188.db2.gz NIGRXAZSMANGBT-UHFFFAOYSA-N -2 0 318.266 1.099 20 0 DDADRL O=P([O-])([O-])OCCNc1cncc(OC(F)(F)F)c1 ZINC001168594897 751258807 /nfs/dbraw/zinc/25/88/07/751258807.db2.gz DAUXHAJOEWKNON-UHFFFAOYSA-N -2 0 302.145 1.501 20 0 DDADRL O=P([O-])([O-])OCCNc1cc(-c2cccs2)ncn1 ZINC001157796147 766687053 /nfs/dbraw/zinc/68/70/53/766687053.db2.gz YBAAJVBFZIDLIH-UHFFFAOYSA-N -2 0 301.264 1.726 20 0 DDADRL COC(=O)c1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1C ZINC001176240255 778089618 /nfs/dbraw/zinc/08/96/18/778089618.db2.gz VHHLHLHOAHFPIM-UHFFFAOYSA-N -2 0 318.285 1.952 20 0 DDADRL Cc1cc(Cl)ccc1OCC(=O)NCCOP(=O)([O-])[O-] ZINC001142815860 861269476 /nfs/dbraw/zinc/26/94/76/861269476.db2.gz DWKKDTOPPKZMOI-UHFFFAOYSA-N -2 0 323.669 1.253 20 0 DDADRL Cc1c(C)c(C(=O)NCCOP(=O)([O-])[O-])nc2ccccc12 ZINC001155216854 861852008 /nfs/dbraw/zinc/85/20/08/861852008.db2.gz TUOYGMDFJUXPGX-UHFFFAOYSA-N -2 0 324.273 1.691 20 0 DDADRL Cc1cc(CCC(=O)NCCCC[P@@](=O)([O-])O)ccn1 ZINC001142254144 861090432 /nfs/dbraw/zinc/09/04/32/861090432.db2.gz YJTAPVJOPPQVQG-UHFFFAOYSA-N -2 0 300.295 1.397 20 0 DDADRL O=C([O-])C[C@@H](C(=O)Oc1ccc2ccccc2c1)[C@@H](O)C(=O)[O-] ZINC001225267328 881753682 /nfs/dbraw/zinc/75/36/82/881753682.db2.gz KGRUWWWASXCKNY-TZMCWYRMSA-N -2 0 318.281 1.282 20 0 DDADRL CCCC(=O)[C@@H](CCC)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21 ZINC001226889049 882705033 /nfs/dbraw/zinc/70/50/33/882705033.db2.gz YENWECXWYRJOER-MRVPVSSYSA-N -2 0 322.321 1.453 20 0 DDADRL CCOC(=O)c1nnsc1[N-]c1cc(C(=O)[O-])cnc1F ZINC001215124634 876576063 /nfs/dbraw/zinc/57/60/63/876576063.db2.gz YRMLNCDVARAICO-UHFFFAOYSA-N -2 0 312.282 1.691 20 0 DDADRL C[C@H]1C(=O)Nc2ncnc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c21 ZINC001242159121 891354449 /nfs/dbraw/zinc/35/44/49/891354449.db2.gz HOJSBWMPNFMGIJ-ZCFIWIBFSA-N -2 0 313.269 1.596 20 0 DDADRL COC(=O)c1ncccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242161246 891356612 /nfs/dbraw/zinc/35/66/12/891356612.db2.gz RMTGYGWLRSVAQF-UHFFFAOYSA-N -2 0 301.254 1.932 20 0 DDADRL COc1nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn2ccnc12 ZINC001242162484 891357136 /nfs/dbraw/zinc/35/71/36/891357136.db2.gz VJIADWJMLSLCEW-UHFFFAOYSA-N -2 0 313.269 1.801 20 0 DDADRL O=c1cc(-c2ccccn2)[n-]n1-c1ccc(S(=O)(=O)[O-])cc1 ZINC001245916286 892269386 /nfs/dbraw/zinc/26/93/86/892269386.db2.gz XVSNDGLYOCYWHX-UHFFFAOYSA-N -2 0 317.326 1.887 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnc3cccnn23)c1 ZINC001260184414 899078107 /nfs/dbraw/zinc/07/81/07/899078107.db2.gz KIMXZIDIPMBUMO-UHFFFAOYSA-N -2 0 318.314 1.228 20 0 DDADRL COc1cncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001260221640 899096674 /nfs/dbraw/zinc/09/66/74/899096674.db2.gz KXKFZLMPJYLRNO-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000072759621 353213971 /nfs/dbraw/zinc/21/39/71/353213971.db2.gz NZHGAAQKGBNTMK-UHFFFAOYSA-N -2 0 300.292 1.692 20 0 DDADRL O=C([O-])C1(C[N-]S(=O)(=O)c2c(F)cccc2F)CCC1 ZINC000166664441 354249667 /nfs/dbraw/zinc/24/96/67/354249667.db2.gz VCJPIKHOOLPELY-UHFFFAOYSA-N -2 0 305.302 1.498 20 0 DDADRL COC(=O)Cc1c(C)[n-]n(-c2ccc(C(=O)[O-])c(F)c2)c1=O ZINC000601949854 358749290 /nfs/dbraw/zinc/74/92/90/358749290.db2.gz KROGQINKNNELRK-JTQLQIEISA-N -2 0 308.265 1.426 20 0 DDADRL C[C@H]1CN(C(=O)NCCCCCC(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000626766706 367734342 /nfs/dbraw/zinc/73/43/42/367734342.db2.gz PTAIBRZDWLPFDA-QWRGUYRKSA-N -2 0 300.355 1.384 20 0 DDADRL COC(C)(C)CS(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000566681093 304176189 /nfs/dbraw/zinc/17/61/89/304176189.db2.gz CCKBOFXTEYNWAQ-UHFFFAOYSA-N -2 0 323.317 1.830 20 0 DDADRL Cc1ccc(F)cc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC000038030464 182973289 /nfs/dbraw/zinc/97/32/89/182973289.db2.gz IVGXGRSCGFGBNE-UHFFFAOYSA-N -2 0 313.310 1.216 20 0 DDADRL CCOc1ccc(S(=O)(=O)[N-]c2cncnc2)cc1C(=O)[O-] ZINC000336866450 249274380 /nfs/dbraw/zinc/27/43/80/249274380.db2.gz WVFIXKXFIPNXII-UHFFFAOYSA-N -2 0 323.330 1.374 20 0 DDADRL CCc1ccc([N-]S(=O)(=O)c2c[nH]c(C)n2)c(C(=O)[O-])c1 ZINC000112624850 194492673 /nfs/dbraw/zinc/49/26/73/194492673.db2.gz WEWGJHIJYZNKIU-UHFFFAOYSA-N -2 0 309.347 1.780 20 0 DDADRL O=C([O-])c1ccc(C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1 ZINC000262157611 304235944 /nfs/dbraw/zinc/23/59/44/304235944.db2.gz ASYDQHMYWCQDMI-BLLLJJGKSA-N -2 0 303.314 1.712 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)c[nH]1 ZINC000134617526 407917209 /nfs/dbraw/zinc/91/72/09/407917209.db2.gz RPMXETAZJXUNMX-UHFFFAOYSA-N -2 0 323.374 1.926 20 0 DDADRL CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000164852804 408806166 /nfs/dbraw/zinc/80/61/66/408806166.db2.gz RNRLLPBKIBQOGQ-UHFFFAOYSA-N -2 0 324.358 1.973 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cnn(C)c2)c(C(=O)[O-])cc1C ZINC000194612007 163289786 /nfs/dbraw/zinc/28/97/86/163289786.db2.gz JTDDIKTVXFKSDI-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)nn1C ZINC000314554302 164015425 /nfs/dbraw/zinc/01/54/25/164015425.db2.gz SJKXDXYFKCVCLH-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1F ZINC000297202264 409850835 /nfs/dbraw/zinc/85/08/35/409850835.db2.gz MTYDWZMRSJQTKF-MRVPVSSYSA-N -2 0 307.318 1.887 20 0 DDADRL CC[C@H](CC[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000297284567 409893015 /nfs/dbraw/zinc/89/30/15/409893015.db2.gz UHXFVRPONCQBKM-MRVPVSSYSA-N -2 0 307.318 1.744 20 0 DDADRL CO[C@@H](C)c1nc(=NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)s[n-]1 ZINC000647703042 423004754 /nfs/dbraw/zinc/00/47/54/423004754.db2.gz JWDRVWXTIIRDJP-BIIVOSGPSA-N -2 0 314.367 1.042 20 0 DDADRL CCC(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000436611331 420344724 /nfs/dbraw/zinc/34/47/24/420344724.db2.gz VZSAFNXUTTWSDI-LLVKDONJSA-N -2 0 313.375 1.906 20 0 DDADRL CC(C)Oc1ccc(=NC(=O)NCCCCCC(=O)[O-])[n-]n1 ZINC000417778579 420476984 /nfs/dbraw/zinc/47/69/84/420476984.db2.gz VENWQYIBOHUSEJ-UHFFFAOYSA-N -2 0 310.354 1.452 20 0 DDADRL Cc1cc(Cl)c([N-]S(=O)(=O)c2c[nH]cn2)c(C(=O)[O-])c1 ZINC000547934345 421378748 /nfs/dbraw/zinc/37/87/48/421378748.db2.gz ALPQIFWPOQTIJE-UHFFFAOYSA-N -2 0 315.738 1.871 20 0 DDADRL O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000547262309 421318204 /nfs/dbraw/zinc/31/82/04/421318204.db2.gz WKDWASVQWMPCAC-ZETCQYMHSA-N -2 0 309.276 1.203 20 0 DDADRL CC[C@@H](C)CS(=O)(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000548525163 421448445 /nfs/dbraw/zinc/44/84/45/421448445.db2.gz RPMRQSZFZTZUKC-MRVPVSSYSA-N -2 0 315.347 1.871 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CC1(C(=O)[O-])CCCC1 ZINC000548540730 421449484 /nfs/dbraw/zinc/44/94/84/421449484.db2.gz BSIYKOVELLRORR-ZETCQYMHSA-N -2 0 303.302 1.502 20 0 DDADRL CC(C)(NS(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000563068922 421450870 /nfs/dbraw/zinc/45/08/70/421450870.db2.gz QRUPJDGVRNUZNY-UHFFFAOYSA-N -2 0 312.269 1.242 20 0 DDADRL Cn1ncc([N-]S(=O)(=O)c2cccc(Cl)c2)c1C(=O)[O-] ZINC000539842320 421754451 /nfs/dbraw/zinc/75/44/51/421754451.db2.gz OYCLXDMBMTYDGS-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000630443286 422106500 /nfs/dbraw/zinc/10/65/00/422106500.db2.gz UTTRNPWUVIOMIJ-SECBINFHSA-N -2 0 319.766 1.673 20 0 DDADRL C[C@@H]1CN(C(=O)N=c2[n-]nc(C(F)F)s2)CC[C@@H]1C(=O)[O-] ZINC000630560379 422179876 /nfs/dbraw/zinc/17/98/76/422179876.db2.gz COIGFZQANQANFF-RITPCOANSA-N -2 0 320.321 1.472 20 0 DDADRL C[C@H]1OCC[C@H]1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000578135450 422506508 /nfs/dbraw/zinc/50/65/08/422506508.db2.gz FWQWIJFBHBSUTN-RDDDGLTNSA-N -2 0 301.320 1.010 20 0 DDADRL CO[C@H]1CN(Cc2cc(=O)[nH]c(C3CC3)n2)[C@@](C)(C(=O)[O-])C1 ZINC000634695399 422555347 /nfs/dbraw/zinc/55/53/47/422555347.db2.gz UOIXZRSVWHYBHD-IAQYHMDHSA-N -2 0 307.350 1.124 20 0 DDADRL COc1ccc(F)cc1S(=O)(=O)NC1(CC(=O)[O-])CCC1 ZINC000646018465 423293268 /nfs/dbraw/zinc/29/32/68/423293268.db2.gz OVXXHHKGXDFTMI-UHFFFAOYSA-N -2 0 317.338 1.510 20 0 DDADRL C[C@](CNC(=O)N1CC[C@H](C(=O)[O-])C1)(C(=O)[O-])c1ccccc1 ZINC000652116298 423876167 /nfs/dbraw/zinc/87/61/67/423876167.db2.gz QSTMJHRGFMEBCG-MEDUHNTESA-N -2 0 320.345 1.145 20 0 DDADRL Cc1n[nH]c(C)c1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000344528455 272050404 /nfs/dbraw/zinc/05/04/04/272050404.db2.gz XFKDDIBMMAJNNN-UHFFFAOYSA-N -2 0 314.305 1.337 20 0 DDADRL Cc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000535780523 303352332 /nfs/dbraw/zinc/35/23/32/303352332.db2.gz MCYYYBCRLKZUCS-UHFFFAOYSA-N -2 0 302.333 1.852 20 0 DDADRL Cc1c(F)cccc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000538092737 303382062 /nfs/dbraw/zinc/38/20/62/303382062.db2.gz BRMNIIBUWQWFMR-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000547876051 303557384 /nfs/dbraw/zinc/55/73/84/303557384.db2.gz AVNJUSWARRGTJE-IWSPIJDZSA-N -2 0 317.329 1.748 20 0 DDADRL COc1ccc(Br)c(C(=O)[O-])c1[N-]S(C)(=O)=O ZINC000547932494 303561309 /nfs/dbraw/zinc/56/13/09/303561309.db2.gz GPWOOWGUKZEEJD-UHFFFAOYSA-N -2 0 324.152 1.527 20 0 DDADRL COC[C@]1(C(=O)[O-])CCC[N@@H+]([C@H](C)c2nc(C)cc(=O)[nH]2)C1 ZINC000570639179 308174917 /nfs/dbraw/zinc/17/49/17/308174917.db2.gz WCNZMAREONWBBS-ABAIWWIYSA-N -2 0 309.366 1.365 20 0 DDADRL C[C@@H]1C[C@H](S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)CCO1 ZINC000577518749 308395194 /nfs/dbraw/zinc/39/51/94/308395194.db2.gz KOEMQSMFCSDBJK-RKDXNWHRSA-N -2 0 317.338 1.833 20 0 DDADRL CC(C)(C(=O)[O-])n1cc([N-]c2nc(C3CCOCC3)no2)cn1 ZINC000662894811 484525682 /nfs/dbraw/zinc/52/56/82/484525682.db2.gz FYBCBCLRORNLCB-UHFFFAOYSA-N -2 0 321.337 1.723 20 0 DDADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c2n[nH]cc21 ZINC000738632757 599739035 /nfs/dbraw/zinc/73/90/35/599739035.db2.gz KNCAFBNOGXMKLY-UHFFFAOYSA-N -2 0 321.314 1.963 20 0 DDADRL CC=CCS(=O)(=O)C(C)=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736833890 599884908 /nfs/dbraw/zinc/88/49/08/599884908.db2.gz FXYOKHRVDJGSDW-PORFMDCZSA-N -2 0 313.375 1.892 20 0 DDADRL CC(C)(CC(=O)Nc1ccc(OCCC(=O)[O-])cc1)C(=O)[O-] ZINC000736309230 600639788 /nfs/dbraw/zinc/63/97/88/600639788.db2.gz BTJULIKICJTPDQ-UHFFFAOYSA-N -2 0 309.318 1.980 20 0 DDADRL CCc1ccccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000035651673 600672692 /nfs/dbraw/zinc/67/26/92/600672692.db2.gz TXIZYGXWACPYPF-UHFFFAOYSA-N -2 0 309.347 1.331 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000833325189 601127057 /nfs/dbraw/zinc/12/70/57/601127057.db2.gz UZEFDOAJQWMKLB-LLVKDONJSA-N -2 0 313.331 1.013 20 0 DDADRL O=C([O-])Nc1cccc(C(=O)[N-]S(=O)(=O)CCCF)c1 ZINC000833287817 601193012 /nfs/dbraw/zinc/19/30/12/601193012.db2.gz AFNBAAAWLFDDAV-UHFFFAOYSA-N -2 0 304.299 1.196 20 0 DDADRL Cc1nc(C)c([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])s1 ZINC000832995740 601487480 /nfs/dbraw/zinc/48/74/80/601487480.db2.gz IPDBFWGCDGNQOC-UHFFFAOYSA-N -2 0 316.364 1.290 20 0 DDADRL Cn1c(Cl)ncc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC000833039776 602202038 /nfs/dbraw/zinc/20/20/38/602202038.db2.gz QMVCJHPFSNHFLV-UHFFFAOYSA-N -2 0 321.767 1.634 20 0 DDADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)C2=CCCC2)cc1 ZINC000833148491 602251258 /nfs/dbraw/zinc/25/12/58/602251258.db2.gz KTVFYEHKAATCHQ-UHFFFAOYSA-N -2 0 309.343 1.441 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2cncc(F)c2)c1 ZINC000833334069 602385273 /nfs/dbraw/zinc/38/52/73/602385273.db2.gz UXHOWIDZLJDEJO-UHFFFAOYSA-N -2 0 324.289 1.038 20 0 DDADRL CN(CCCNC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000828306054 603473427 /nfs/dbraw/zinc/47/34/27/603473427.db2.gz OCZNENBZQADQKI-UHFFFAOYSA-N -2 0 318.333 1.308 20 0 DDADRL CC(C)n1cnc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)c1 ZINC000833513191 605187285 /nfs/dbraw/zinc/18/72/85/605187285.db2.gz CDKMKBWBBVXMNP-UHFFFAOYSA-N -2 0 312.351 1.302 20 0 DDADRL C/C(=C/C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1)C(C)(C)C ZINC000823528073 605272766 /nfs/dbraw/zinc/27/27/66/605272766.db2.gz PLXWGUNNVMTSKT-RNKPRXRFSA-N -2 0 318.395 1.177 20 0 DDADRL CC(C)(CC(=O)[O-])CC(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000833452765 605701831 /nfs/dbraw/zinc/70/18/31/605701831.db2.gz SHOUKYLXFFSJMT-ZDUSSCGKSA-N -2 0 317.349 1.296 20 0 DDADRL O=C([O-])N[C@@H](CC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000834123577 606031705 /nfs/dbraw/zinc/03/17/05/606031705.db2.gz YUBSMVLEJNVFSI-OLZOCXBDSA-N -2 0 320.345 1.709 20 0 DDADRL CCN(CCC(=O)[O-])C(=O)[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC000833857653 606046727 /nfs/dbraw/zinc/04/67/27/606046727.db2.gz PYAZSOSZOCQDFZ-GFCCVEGCSA-N -2 0 308.334 1.189 20 0 DDADRL O=C([O-])CC[C@@H](NC(=O)[C@H]1CCN(C(=O)[O-])C1)c1ccccc1 ZINC000834059939 606050082 /nfs/dbraw/zinc/05/00/82/606050082.db2.gz MBUAYHDGQBYZAE-QWHCGFSZSA-N -2 0 320.345 1.709 20 0 DDADRL O=C([O-])C[C@H]1CSCCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000834059412 606051231 /nfs/dbraw/zinc/05/12/31/606051231.db2.gz BABGUZXJHPCGOH-NSHDSACASA-N -2 0 324.358 1.809 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)NC[C@H](C(=O)[O-])c2ccccc2)C1 ZINC000834170482 606065883 /nfs/dbraw/zinc/06/58/83/606065883.db2.gz OQOXHMDEXNOPGN-UPJWGTAASA-N -2 0 320.345 1.407 20 0 DDADRL O=C([O-])[C@H]1CCN(C(=O)[C@@H]2c3ccccc3CCN2C(=O)[O-])C1 ZINC000834061687 606112756 /nfs/dbraw/zinc/11/27/56/606112756.db2.gz XWGOWLDRVLXZGP-AAEUAGOBSA-N -2 0 318.329 1.197 20 0 DDADRL O=C([O-])c1ccc(OCCNC(=O)[C@H]2CCCN2C(=O)[O-])cc1 ZINC000834283394 606113091 /nfs/dbraw/zinc/11/30/91/606113091.db2.gz OGIXGPLWUNBQIB-GFCCVEGCSA-N -2 0 322.317 1.022 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2ccn(C)n2)cc(C(=O)[O-])c1F ZINC000133166218 696823059 /nfs/dbraw/zinc/82/30/59/696823059.db2.gz LCHANHJHEZRUKA-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)sc1C ZINC000776425471 698105968 /nfs/dbraw/zinc/10/59/68/698105968.db2.gz ANRZRNZYBCROBV-UHFFFAOYSA-N -2 0 315.376 1.597 20 0 DDADRL Cn1nccc1S(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])c(F)c1 ZINC000313284094 698681161 /nfs/dbraw/zinc/68/11/61/698681161.db2.gz AKPGJLPBBHUXTR-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]OCCC(F)(F)F ZINC000790036826 699436312 /nfs/dbraw/zinc/43/63/12/699436312.db2.gz GBWLHKOFPZGXJV-LURJTMIESA-N -2 0 324.221 1.690 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)c(F)c1 ZINC000863957058 706046181 /nfs/dbraw/zinc/04/61/81/706046181.db2.gz RVMMUGKPIICOSH-NSHDSACASA-N -2 0 317.338 1.296 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CC2)c(F)c1 ZINC000863957157 706046210 /nfs/dbraw/zinc/04/62/10/706046210.db2.gz UJXYFJKDOGAIRA-LLVKDONJSA-N -2 0 315.322 1.050 20 0 DDADRL Cc1ccsc1S(=O)(=O)[N-]C(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000863961481 706046925 /nfs/dbraw/zinc/04/69/25/706046925.db2.gz MMRIBAUOPYCRRH-LBPRGKRZSA-N -2 0 317.388 1.362 20 0 DDADRL Cc1ccsc1S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C ZINC000863962304 706047155 /nfs/dbraw/zinc/04/71/55/706047155.db2.gz YLRLVAYVXXHKED-QMMMGPOBSA-N -2 0 305.377 1.218 20 0 DDADRL O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)c2occc2Br)C1 ZINC000899571092 709116108 /nfs/dbraw/zinc/11/61/08/709116108.db2.gz TVNYOIDSRMRKIU-OLQVQODUSA-N -2 0 324.152 1.184 20 0 DDADRL CC(C)(CC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])CC(F)F ZINC000910181834 709800176 /nfs/dbraw/zinc/80/01/76/709800176.db2.gz GNFCDMQVHCWZNV-DTWKUNHWSA-N -2 0 321.320 1.834 20 0 DDADRL Cc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc(C)c1F ZINC000910183044 709800980 /nfs/dbraw/zinc/80/09/80/709800980.db2.gz KOWFFGWUNKZVIY-PWSUYJOCSA-N -2 0 323.320 1.833 20 0 DDADRL Cc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c(C)n1C ZINC000910183473 709801127 /nfs/dbraw/zinc/80/11/27/709801127.db2.gz BNWMDNCPLMPMIW-PWSUYJOCSA-N -2 0 308.334 1.032 20 0 DDADRL CC(C)(C)C1CC(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])C1 ZINC000910184402 709801343 /nfs/dbraw/zinc/80/13/43/709801343.db2.gz QLBDITLZGOHIFY-HBIQZDMRSA-N -2 0 311.378 1.835 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccsc2Cl)C1 ZINC000910185034 709801358 /nfs/dbraw/zinc/80/13/58/709801358.db2.gz XCASTAWHSCFWIA-HTRCEHHLSA-N -2 0 317.750 1.792 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CCCc2ccccc2)C1 ZINC000910189244 709803914 /nfs/dbraw/zinc/80/39/14/709803914.db2.gz RKAJDGNGYKTFOK-ZIAGYGMSSA-N -2 0 319.357 1.786 20 0 DDADRL C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccccc1F ZINC000910191137 709804954 /nfs/dbraw/zinc/80/49/54/709804954.db2.gz XUTINSPUQOAWSV-KWBADKCTSA-N -2 0 323.320 1.706 20 0 DDADRL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000902071561 710604155 /nfs/dbraw/zinc/60/41/55/710604155.db2.gz ZGIZKJIHXSPCML-ABYOOWDOSA-N -2 0 303.314 1.308 20 0 DDADRL Cc1cc(F)c(S(=O)(=O)[N-]CC(F)(F)C(=O)[O-])c(F)c1 ZINC000905999960 712216255 /nfs/dbraw/zinc/21/62/55/712216255.db2.gz PYYWZRTXIQMZCN-UHFFFAOYSA-N -2 0 315.244 1.271 20 0 DDADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CC[C@@H]3CCC[C@@H]32)c1 ZINC000907124490 712493423 /nfs/dbraw/zinc/49/34/23/712493423.db2.gz YPTWQZUIMFROGY-ONGXEEELSA-N -2 0 311.359 1.654 20 0 DDADRL CCOc1ccc(S(=O)(=O)[N-]c2ccnnc2)cc1C(=O)[O-] ZINC001192608238 745840981 /nfs/dbraw/zinc/84/09/81/745840981.db2.gz HJASYBXVBPHXOU-UHFFFAOYSA-N -2 0 323.330 1.374 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1sccc1C(F)(F)F ZINC001195220549 746552177 /nfs/dbraw/zinc/55/21/77/746552177.db2.gz ZOOPIBLPPJFSQO-UHFFFAOYSA-N -2 0 319.197 1.606 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1snc(Cl)c1Cl ZINC001196347819 746838558 /nfs/dbraw/zinc/83/85/58/746838558.db2.gz ZQMMEBLFETUALI-UHFFFAOYSA-N -2 0 321.078 1.289 20 0 DDADRL Cn1nc2c(c1[N-]S(=O)(=O)c1ccccc1C(=O)[O-])CCC2 ZINC001198739757 747585077 /nfs/dbraw/zinc/58/50/77/747585077.db2.gz YWAJQSSIZCKQEA-UHFFFAOYSA-N -2 0 321.358 1.408 20 0 DDADRL COc1cc(NS(=O)(=O)c2ccccc2C(=O)[O-])ccn1 ZINC001198739214 747585293 /nfs/dbraw/zinc/58/52/93/747585293.db2.gz NBDNAMOUHIFJFK-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL CCOc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cn1 ZINC001198741586 747586838 /nfs/dbraw/zinc/58/68/38/747586838.db2.gz QCSHYBDTCAWFDZ-UHFFFAOYSA-N -2 0 322.342 1.979 20 0 DDADRL COC(=O)CCCS(=O)(=O)[N-]c1cc(F)c(F)cc1[O-] ZINC001201915370 748641056 /nfs/dbraw/zinc/64/10/56/748641056.db2.gz LUVDAYGBLBGWED-UHFFFAOYSA-N -2 0 309.290 1.365 20 0 DDADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(N=C2CCCC2)c1 ZINC001173999164 777391107 /nfs/dbraw/zinc/39/11/07/777391107.db2.gz GFPSKLUZTSPROP-UHFFFAOYSA-N -2 0 319.360 1.660 20 0 DDADRL COC(=O)c1nccnc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236564 778087623 /nfs/dbraw/zinc/08/76/23/778087623.db2.gz OQJNCQLTJLEVCP-UHFFFAOYSA-N -2 0 317.257 1.403 20 0 DDADRL CN=c1c(N)cc(Cl)nn1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176239494 778089699 /nfs/dbraw/zinc/08/96/99/778089699.db2.gz YRSNFNGYGYTTMW-UHFFFAOYSA-N -2 0 322.708 1.035 20 0 DDADRL O=C([O-])C[C@@H](C(=O)Oc1cccc2c1CCCC2)[C@@H](O)C(=O)[O-] ZINC001227687276 883131324 /nfs/dbraw/zinc/13/13/24/883131324.db2.gz CQAINIQMHBFZMV-BXUZGUMPSA-N -2 0 322.313 1.007 20 0 DDADRL CC[C@H](C)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227760099 883159249 /nfs/dbraw/zinc/15/92/49/883159249.db2.gz PNIARNUTJRUJEE-DRCTWCGVSA-N -2 0 324.329 1.642 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1csc(NC2CCCCC2)n1 ZINC001362950958 885064174 /nfs/dbraw/zinc/06/41/74/885064174.db2.gz VKGOIEDNWVYPGL-UHFFFAOYSA-N -2 0 324.366 1.274 20 0 DDADRL O=C(Oc1ccc(C2CCC2)cc1)[C@H](O)COP(=O)([O-])[O-] ZINC001234300219 887835759 /nfs/dbraw/zinc/83/57/59/887835759.db2.gz JEQZVBTYOQMART-GFCCVEGCSA-N -2 0 316.246 1.330 20 0 DDADRL CCn1cnc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC001260393894 899134538 /nfs/dbraw/zinc/13/45/38/899134538.db2.gz IDNUKMJKXVWLBP-UHFFFAOYSA-N -2 0 311.319 1.108 20 0 DDADRL Cc1noc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1C ZINC000088245216 185243437 /nfs/dbraw/zinc/24/34/37/185243437.db2.gz SSBOCMOZSFKPMM-UHFFFAOYSA-N -2 0 302.333 1.852 20 0 DDADRL CCc1ncc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cn1 ZINC000447005283 529758993 /nfs/dbraw/zinc/75/89/93/529758993.db2.gz GKNUJXINKRZOJI-UHFFFAOYSA-N -2 0 321.358 1.846 20 0 DDADRL COC(=O)Cc1c(C)[n-]n(-c2ccc(C(=O)[O-])c(F)c2)c1=O ZINC000601949855 358749266 /nfs/dbraw/zinc/74/92/66/358749266.db2.gz KROGQINKNNELRK-SNVBAGLBSA-N -2 0 308.265 1.426 20 0 DDADRL O=C([O-])c1cnc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cn1 ZINC000261715559 304275863 /nfs/dbraw/zinc/27/58/63/304275863.db2.gz VYKIIGJAHCNKJE-FXAINCCUSA-N -2 0 319.317 1.033 20 0 DDADRL C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1 ZINC000187713983 407885856 /nfs/dbraw/zinc/88/58/56/407885856.db2.gz CZELTQZWHXUJHJ-MRVPVSSYSA-N -2 0 324.362 1.681 20 0 DDADRL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000268155872 407916719 /nfs/dbraw/zinc/91/67/19/407916719.db2.gz WCRFPALNHIQYRZ-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000164848836 408804686 /nfs/dbraw/zinc/80/46/86/408804686.db2.gz VFQBYHRSWTVIRQ-GWCFXTLKSA-N -2 0 319.329 1.887 20 0 DDADRL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1F ZINC000297202271 409849760 /nfs/dbraw/zinc/84/97/60/409849760.db2.gz MTYDWZMRSJQTKF-QMMMGPOBSA-N -2 0 307.318 1.887 20 0 DDADRL CCCc1ccc([N-]S(=O)(=O)c2c[nH]cn2)c(C(=O)[O-])c1 ZINC000346753994 410131080 /nfs/dbraw/zinc/13/10/80/410131080.db2.gz NMCBQQMTZHYYRC-UHFFFAOYSA-N -2 0 309.347 1.861 20 0 DDADRL CCn1cn[n-]c1=NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000356331310 410969441 /nfs/dbraw/zinc/96/94/41/410969441.db2.gz ACZFLDANZZFOEA-UHFFFAOYSA-N -2 0 316.296 1.003 20 0 DDADRL CC(C)(C)c1n[n-]c(=NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)s1 ZINC000647693741 423000851 /nfs/dbraw/zinc/00/08/51/423000851.db2.gz FLPNIZBOIZOHEQ-JGVFFNPUSA-N -2 0 312.395 1.632 20 0 DDADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnnn2C)cc1 ZINC000650409758 423149365 /nfs/dbraw/zinc/14/93/65/423149365.db2.gz BTJYXXOWRROESE-SECBINFHSA-N -2 0 324.362 1.194 20 0 DDADRL CCc1cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)ccc1O ZINC000514605484 421438861 /nfs/dbraw/zinc/43/88/61/421438861.db2.gz OTZJVQXMWGSAOF-LBPRGKRZSA-N -2 0 316.361 1.798 20 0 DDADRL COCCc1nc(=NCCOc2ccc(C(=O)[O-])cc2)s[n-]1 ZINC000563625628 421529698 /nfs/dbraw/zinc/52/96/98/421529698.db2.gz SPUSTSFWGSUUIM-UHFFFAOYSA-N -2 0 323.374 1.338 20 0 DDADRL C[C@@H]1CCCN(S(=O)(=O)c2cc([O-])cc(F)c2)[C@@H]1C(=O)[O-] ZINC000630445672 422109445 /nfs/dbraw/zinc/10/94/45/422109445.db2.gz ZKACIKJXBFBMGN-PELKAZGASA-N -2 0 317.338 1.405 20 0 DDADRL CC(C)[C@H](CNC(=O)N=c1ccc(C(F)(F)F)n[n-]1)C(=O)[O-] ZINC000653542670 423519386 /nfs/dbraw/zinc/51/93/86/423519386.db2.gz YBEXTHPRZBWIJQ-ZETCQYMHSA-N -2 0 320.271 1.396 20 0 DDADRL CC(C)C[C@H](CNC(=O)NCCC(C)(C)C(=O)[O-])CC(=O)[O-] ZINC000659410158 423812678 /nfs/dbraw/zinc/81/26/78/423812678.db2.gz YZKXAFPLDVZGGG-NSHDSACASA-N -2 0 316.398 1.924 20 0 DDADRL Cc1n[n-]c(=NC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000649536723 424010690 /nfs/dbraw/zinc/01/06/90/424010690.db2.gz DHMLZXGFCFQKJW-CQSZACIVSA-N -2 0 320.374 1.432 20 0 DDADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000665316555 424781476 /nfs/dbraw/zinc/78/14/76/424781476.db2.gz IGSDGZKLZZFLRH-USWWRNFRSA-N -2 0 312.366 1.240 20 0 DDADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cnc3n2CCC3)c1 ZINC000361980444 299976688 /nfs/dbraw/zinc/97/66/88/299976688.db2.gz KDCIMOURUBUMGF-UHFFFAOYSA-N -2 0 321.358 1.257 20 0 DDADRL Cn1ncc([N-]S(=O)(=O)c2cc(F)ccc2F)c1C(=O)[O-] ZINC000536685538 303368302 /nfs/dbraw/zinc/36/83/02/303368302.db2.gz XWHMDGJYNPDBHR-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c1 ZINC000548538993 307775146 /nfs/dbraw/zinc/77/51/46/307775146.db2.gz IWNALTFMURDACE-UHFFFAOYSA-N -2 0 321.358 1.780 20 0 DDADRL CC[C@@H](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C(=O)[O-] ZINC000570460148 308170990 /nfs/dbraw/zinc/17/09/90/308170990.db2.gz JCVOFJPDBDSTHC-LLVKDONJSA-N -2 0 303.318 1.067 20 0 DDADRL CO[C@@H](CS(=O)(=O)[N-]c1ccccc1O)[C@H]1CCOC1 ZINC000656613681 484243912 /nfs/dbraw/zinc/24/39/12/484243912.db2.gz NWXHTALHKUQWCJ-GWCFXTLKSA-N -2 0 301.364 1.185 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000663136608 484695321 /nfs/dbraw/zinc/69/53/21/484695321.db2.gz YDAOHZLCJPWDOE-OLZOCXBDSA-N -2 0 305.330 1.554 20 0 DDADRL CC(C)C[C@H](CNC(=O)N=c1[n-]nc2ccccn21)C(=O)[O-] ZINC000424381295 528524308 /nfs/dbraw/zinc/52/43/08/528524308.db2.gz MSCNZOQGHSAIGP-SNVBAGLBSA-N -2 0 305.338 1.020 20 0 DDADRL CCC(CC)(CNC(=O)N=c1ccc(C2CC2)n[n-]1)C(=O)[O-] ZINC000424381666 528672281 /nfs/dbraw/zinc/67/22/81/528672281.db2.gz NBRTYDACONAANK-UHFFFAOYSA-N -2 0 306.366 1.788 20 0 DDADRL CCc1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)sc1C ZINC000049158726 599801923 /nfs/dbraw/zinc/80/19/23/599801923.db2.gz WYXUCJFSJYTSLZ-UHFFFAOYSA-N -2 0 316.360 2.106 20 0 DDADRL CCn1nccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737311938 600054419 /nfs/dbraw/zinc/05/44/19/600054419.db2.gz HYONXQLTDGPDMK-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c1C(=O)[O-] ZINC000738337093 600235280 /nfs/dbraw/zinc/23/52/80/600235280.db2.gz GDXZCDCEJATWKN-UHFFFAOYSA-N -2 0 320.330 1.698 20 0 DDADRL Cc1cnc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)s1 ZINC000035295956 600243424 /nfs/dbraw/zinc/24/34/24/600243424.db2.gz QUCPHKQDUSVEHE-UHFFFAOYSA-N -2 0 312.372 1.879 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@H]1CCc2ccccc21 ZINC000739695858 600466364 /nfs/dbraw/zinc/46/63/64/600466364.db2.gz RISTYEMTFPIXRL-LBPRGKRZSA-N -2 0 311.359 1.027 20 0 DDADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cn1 ZINC000833274973 600673490 /nfs/dbraw/zinc/67/34/90/600673490.db2.gz PBGFATNZSJIJHM-UHFFFAOYSA-N -2 0 320.330 1.250 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)cc1C(=O)[O-] ZINC000314482356 600811427 /nfs/dbraw/zinc/81/14/27/600811427.db2.gz PPJPCJMINTWECS-UHFFFAOYSA-N -2 0 320.330 1.400 20 0 DDADRL CC(C)n1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000021010771 600826892 /nfs/dbraw/zinc/82/68/92/600826892.db2.gz ZNCBEWWXLDXICW-UHFFFAOYSA-N -2 0 312.351 1.302 20 0 DDADRL Cc1ccc(-n2[n-]c(C(=O)N(C)C(C)(C)C(=O)[O-])cc2=O)cc1 ZINC000832909390 600928802 /nfs/dbraw/zinc/92/88/02/600928802.db2.gz CBJBWASULZCRLG-UHFFFAOYSA-N -2 0 317.345 1.409 20 0 DDADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)CC1CCC1 ZINC000833093684 600938230 /nfs/dbraw/zinc/93/82/30/600938230.db2.gz HVBBEGROKNWKNS-UHFFFAOYSA-N -2 0 303.361 1.441 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n(C)n1 ZINC000385741590 600974015 /nfs/dbraw/zinc/97/40/15/600974015.db2.gz SSNTXOPDWBSNLH-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2n[nH]c3ccccc32)c1C(=O)[O-] ZINC000738334530 601200690 /nfs/dbraw/zinc/20/06/90/601200690.db2.gz AFAZRWKLPAVTLY-UHFFFAOYSA-N -2 0 321.318 1.093 20 0 DDADRL CCc1cccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c1 ZINC000830270144 601249735 /nfs/dbraw/zinc/24/97/35/601249735.db2.gz MZMRKASFCZKKRH-UHFFFAOYSA-N -2 0 309.347 1.331 20 0 DDADRL Cc1ccc(NS(=O)(=O)C[C@@H](C)C(=O)[O-])cc1C(=O)[O-] ZINC000832951923 601616946 /nfs/dbraw/zinc/61/69/46/601616946.db2.gz OQZKQJXPNLBHPT-MRVPVSSYSA-N -2 0 301.320 1.156 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000833344810 601830906 /nfs/dbraw/zinc/83/09/06/601830906.db2.gz BPYJSISLSGNLOP-UHFFFAOYSA-N -2 0 302.308 1.781 20 0 DDADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2CC23CCC3)cc1 ZINC000833314263 601974738 /nfs/dbraw/zinc/97/47/38/601974738.db2.gz FMVNOYWVZZWDRA-GFCCVEGCSA-N -2 0 323.370 1.521 20 0 DDADRL CC[C@](C)(CC(=O)[O-])NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000828653326 602299332 /nfs/dbraw/zinc/29/93/32/602299332.db2.gz YPQJZBRWFCILJM-MRXNPFEDSA-N -2 0 317.345 1.951 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cn1C ZINC000738361929 602644869 /nfs/dbraw/zinc/64/48/69/602644869.db2.gz PMHOEGBBIPTUGB-UHFFFAOYSA-N -2 0 310.335 1.619 20 0 DDADRL CC(C)C[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)CC(C)(C)C ZINC000736415457 602748031 /nfs/dbraw/zinc/74/80/31/602748031.db2.gz KFNHIEJREYGVPD-VIFPVBQESA-N -2 0 308.400 1.161 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)NC(=O)[O-] ZINC000736896115 602748150 /nfs/dbraw/zinc/74/81/50/602748150.db2.gz XLXRBVPAATWVRO-LLVKDONJSA-N -2 0 322.427 1.551 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)[O-] ZINC000739251277 602748303 /nfs/dbraw/zinc/74/83/03/602748303.db2.gz ADOWRDHXMOFEAM-SNVBAGLBSA-N -2 0 306.384 1.011 20 0 DDADRL Cc1cc([N-]C(=O)c2nc([C@@H](C)CN(C)C(=O)[O-])no2)no1 ZINC000740090361 603017955 /nfs/dbraw/zinc/01/79/55/603017955.db2.gz CRJVIIUHCHJHHW-LURJTMIESA-N -2 0 309.282 1.332 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000826576737 603447770 /nfs/dbraw/zinc/44/77/70/603447770.db2.gz ZPIXGCFPFRKMDB-IUCAKERBSA-N -2 0 306.384 1.057 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])nc1C ZINC000079701064 604508714 /nfs/dbraw/zinc/50/87/14/604508714.db2.gz YYLPPXFBYAGCMS-UHFFFAOYSA-N -2 0 310.335 1.105 20 0 DDADRL CC(C)c1[n-]n(C)c(=O)c1C(=O)Nc1ccccc1C(=O)[O-] ZINC000833472022 604625040 /nfs/dbraw/zinc/62/50/40/604625040.db2.gz QTCOCCLICOJAIR-LLVKDONJSA-N -2 0 303.318 1.424 20 0 DDADRL CC1=C(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)CCC1 ZINC000833575432 604882903 /nfs/dbraw/zinc/88/29/03/604882903.db2.gz BBVNQWJJXGMKEE-UHFFFAOYSA-N -2 0 309.343 1.690 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000737788765 604884218 /nfs/dbraw/zinc/88/42/18/604884218.db2.gz YDXDDKNOTWPYDD-UHFFFAOYSA-N -2 0 316.379 1.578 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)o1 ZINC000833751413 605012109 /nfs/dbraw/zinc/01/21/09/605012109.db2.gz WYUJEAQYYXGNBR-UHFFFAOYSA-N -2 0 316.360 1.863 20 0 DDADRL O=C([O-])N1CCC[C@H](NC(=O)c2c([O-])cc(F)cc2F)C1 ZINC000739386900 605711704 /nfs/dbraw/zinc/71/17/04/605711704.db2.gz JWQABBMKSWGINX-QMMMGPOBSA-N -2 0 300.261 1.543 20 0 DDADRL O=C([O-])NCC1CCN(C(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000834226469 605855319 /nfs/dbraw/zinc/85/53/19/605855319.db2.gz RPOJDYBZOXYKHO-UHFFFAOYSA-N -2 0 314.288 1.790 20 0 DDADRL O=C([O-])N[C@@H](CCC(=O)OCc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC000834136827 605954862 /nfs/dbraw/zinc/95/48/62/605954862.db2.gz HJOYCHXUEKSJRM-JTQLQIEISA-N -2 0 320.305 1.343 20 0 DDADRL O=C([O-])Cc1csc(NC(=O)[C@H]2CCCCN2C(=O)[O-])n1 ZINC000834069839 606027614 /nfs/dbraw/zinc/02/76/14/606027614.db2.gz YEGFADMFGWOWLU-MRVPVSSYSA-N -2 0 313.335 1.241 20 0 DDADRL O=C([O-])c1ccc(CNC(=O)[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000834283705 606028877 /nfs/dbraw/zinc/02/88/77/606028877.db2.gz UHLHZWFDBNXCJR-LBPRGKRZSA-N -2 0 306.318 1.391 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000834170716 606028976 /nfs/dbraw/zinc/02/89/76/606028976.db2.gz AYLIOTPMWCVLEP-VXGBXAGGSA-N -2 0 306.318 1.437 20 0 DDADRL O=C([O-])N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000834150078 606031778 /nfs/dbraw/zinc/03/17/78/606031778.db2.gz LADYGJGFOUHNCA-CHWSQXEVSA-N -2 0 320.345 1.189 20 0 DDADRL O=C([O-])c1ccc(CCNC(=O)[C@@H]2CCCCN2C(=O)[O-])cc1 ZINC000834283412 606032117 /nfs/dbraw/zinc/03/21/17/606032117.db2.gz OJVKFYRSOXEFBB-ZDUSSCGKSA-N -2 0 320.345 1.576 20 0 DDADRL O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@@H]1CSCN1C(=O)[O-] ZINC000834282590 606034860 /nfs/dbraw/zinc/03/48/60/606034860.db2.gz BOPITSSVXMXLAD-NSHDSACASA-N -2 0 322.342 1.327 20 0 DDADRL CN(C(=O)C[C@H]1CCCN1C(=O)[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000833868552 606051044 /nfs/dbraw/zinc/05/10/44/606051044.db2.gz CRRPQYYLZQUBEU-TZMCWYRMSA-N -2 0 320.345 1.803 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)NCC2(C(=O)[O-])CCCC2)o1 ZINC000834246807 606063662 /nfs/dbraw/zinc/06/36/62/606063662.db2.gz QEKJBVNIJOBVJO-UHFFFAOYSA-N -2 0 310.306 1.422 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)[C@H]2CCCCN2C(=O)[O-])c1 ZINC000834066300 606066448 /nfs/dbraw/zinc/06/64/48/606066448.db2.gz RYNKXDBTFGBCOV-GFCCVEGCSA-N -2 0 306.318 1.785 20 0 DDADRL O=C([O-])N[C@H]1CCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000834171032 606066645 /nfs/dbraw/zinc/06/66/45/606066645.db2.gz CHOQKEFNODJLTI-WPRPVWTQSA-N -2 0 310.281 1.899 20 0 DDADRL O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[O-])Cc2ccccc21 ZINC000834061756 606112800 /nfs/dbraw/zinc/11/28/00/606112800.db2.gz ZLJPHXNEFDMQSB-OLZOCXBDSA-N -2 0 318.329 1.339 20 0 DDADRL CCCCCC[C@@](C)(NC(=O)[C@@H]1CCN(C(=O)[O-])C1)C(=O)[O-] ZINC000833854242 606112905 /nfs/dbraw/zinc/11/29/05/606112905.db2.gz WMQLBEUOJMZHKN-IAQYHMDHSA-N -2 0 314.382 1.916 20 0 DDADRL CC(F)(F)C(=O)[N-][C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000816127990 702020170 /nfs/dbraw/zinc/02/01/70/702020170.db2.gz QPYYVQLQDRQWBF-QMMMGPOBSA-N -2 0 319.674 1.853 20 0 DDADRL O=C([N-]OCCC1CC1)C1(C(=O)[N-]OCCC2CC2)CCC1 ZINC000817407801 702371665 /nfs/dbraw/zinc/37/16/65/702371665.db2.gz CCDJKTUJQAWIJW-UHFFFAOYSA-N -2 0 310.394 1.853 20 0 DDADRL Cc1ccccc1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC=CC1 ZINC000863951974 706044631 /nfs/dbraw/zinc/04/46/31/706044631.db2.gz GEHPGBXJKZMKOG-UHFFFAOYSA-N -2 0 309.343 1.221 20 0 DDADRL Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-] ZINC000863958071 706046483 /nfs/dbraw/zinc/04/64/83/706046483.db2.gz ZJWGWBPCOBXKIN-UHFFFAOYSA-N -2 0 319.766 1.564 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)CCCC(F)(F)F ZINC000863958074 706046584 /nfs/dbraw/zinc/04/65/84/706046584.db2.gz ZQSYMBKCZXJINN-SSDOTTSWSA-N -2 0 319.301 1.132 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)CCC1CCCCC1 ZINC000863963474 706047365 /nfs/dbraw/zinc/04/73/65/706047365.db2.gz XUFSLKSRDQBAHI-GFCCVEGCSA-N -2 0 319.423 1.760 20 0 DDADRL CO[C@H]1CCN(C(=O)c2ccc([O-])c(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000909980636 709716479 /nfs/dbraw/zinc/71/64/79/709716479.db2.gz CHYIIWFRXFAWPY-ONGXEEELSA-N -2 0 313.737 1.750 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)/C=C\c2ccccc2F)C1 ZINC000910182992 709801043 /nfs/dbraw/zinc/80/10/43/709801043.db2.gz KSGZCFLBFPAZFQ-RXVTVFCNSA-N -2 0 321.304 1.615 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC000910184488 709801423 /nfs/dbraw/zinc/80/14/23/709801423.db2.gz ROKMZCGQQRZWSJ-MROQNXINSA-N -2 0 323.389 1.979 20 0 DDADRL CSCC1(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])CC1 ZINC000910184640 709801490 /nfs/dbraw/zinc/80/14/90/709801490.db2.gz QWRXFPUYQALQRE-UWVGGRQHSA-N -2 0 315.391 1.296 20 0 DDADRL CCc1ccc(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC000910189311 709803995 /nfs/dbraw/zinc/80/39/95/709803995.db2.gz SBKAYURREPYZIR-KBPBESRZSA-N -2 0 319.357 1.568 20 0 DDADRL CCc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])s1 ZINC000910189171 709804207 /nfs/dbraw/zinc/80/42/07/709804207.db2.gz QVCCHJJBBUCLKJ-PSASIEDQSA-N -2 0 311.359 1.701 20 0 DDADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CC[C@@H](C3CC3)C2)c1 ZINC000906910976 712436152 /nfs/dbraw/zinc/43/61/52/712436152.db2.gz CYWZDLGTWLEUIT-LLVKDONJSA-N -2 0 311.359 1.511 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CO)nc1 ZINC001185877831 744306936 /nfs/dbraw/zinc/30/69/36/744306936.db2.gz WDVOPJKYCCBQSA-UHFFFAOYSA-N -2 0 322.342 1.381 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccncn2)c(F)cc1F ZINC001195189584 746540971 /nfs/dbraw/zinc/54/09/71/746540971.db2.gz LDDMOTUJQHNLQG-UHFFFAOYSA-N -2 0 315.257 1.254 20 0 DDADRL O=P([O-])([O-])OCCNC(=S)Nc1ccc(F)c(F)c1 ZINC001200702930 748324633 /nfs/dbraw/zinc/32/46/33/748324633.db2.gz WJAFEYIALWUSAA-UHFFFAOYSA-N -2 0 312.234 1.361 20 0 DDADRL Cc1cc(C(=O)OC(C)C)cnc1NCCOP(=O)([O-])[O-] ZINC001168586901 751179614 /nfs/dbraw/zinc/17/96/14/751179614.db2.gz MDFWSYFQXRBLGM-UHFFFAOYSA-N -2 0 318.266 1.476 20 0 DDADRL COC(=O)c1cccc(NCCOP(=O)([O-])[O-])c1OC ZINC001168591922 751224470 /nfs/dbraw/zinc/22/44/70/751224470.db2.gz IWPZFLZOLWEIEM-UHFFFAOYSA-N -2 0 305.223 1.003 20 0 DDADRL Nc1c2cc(F)cnc2nn1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236414 778087686 /nfs/dbraw/zinc/08/76/86/778087686.db2.gz MDSUZJYHOUKPNI-UHFFFAOYSA-N -2 0 316.248 1.538 20 0 DDADRL NC(=O)c1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001176239171 778089933 /nfs/dbraw/zinc/08/99/33/778089933.db2.gz ONQUNOMLYDYZBM-UHFFFAOYSA-N -2 0 301.258 1.321 20 0 DDADRL COc1ccc2cc(C(=O)NCCOP(=O)([O-])[O-])[nH]c2c1 ZINC001149573062 861719443 /nfs/dbraw/zinc/71/94/43/861719443.db2.gz WLOCPNGYQZPQLP-UHFFFAOYSA-N -2 0 314.234 1.016 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1ccnc2ccc(F)cc21 ZINC001153718296 864035813 /nfs/dbraw/zinc/03/58/13/864035813.db2.gz OEBPXXQLNKMPPU-UHFFFAOYSA-N -2 0 314.209 1.213 20 0 DDADRL O=P([O-])([O-])OCCNC(F)(F)c1cccc(Cl)n1 ZINC001157787289 864138436 /nfs/dbraw/zinc/13/84/36/864138436.db2.gz CUFXTBYPXXPNGR-UHFFFAOYSA-N -2 0 302.601 1.483 20 0 DDADRL COC(=O)c1cncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242159253 891353773 /nfs/dbraw/zinc/35/37/73/891353773.db2.gz FUFYXNGAYVTTLD-UHFFFAOYSA-N -2 0 302.242 1.327 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccccc2-c2nn[nH]n2)c1 ZINC001242160956 891355911 /nfs/dbraw/zinc/35/59/11/891355911.db2.gz MKRZKLVZHDELLM-UHFFFAOYSA-N -2 0 310.269 1.930 20 0 DDADRL Cc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cnc1C(N)=O ZINC001242164038 891359051 /nfs/dbraw/zinc/35/90/51/891359051.db2.gz YLTNNOOTWGKBAI-UHFFFAOYSA-N -2 0 300.270 1.552 20 0 DDADRL CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccc(F)cc2[O-])nc1 ZINC001242217443 891376475 /nfs/dbraw/zinc/37/64/75/891376475.db2.gz OYRAIBGTKJMZKP-UHFFFAOYSA-N -2 0 310.306 1.418 20 0 DDADRL O=S(=O)([O-])c1ccc([N-]S(=O)(=O)C(F)F)c(Cl)c1 ZINC001259959286 898981341 /nfs/dbraw/zinc/98/13/41/898981341.db2.gz JDRJXAMKHIQZRK-UHFFFAOYSA-N -2 0 321.710 1.551 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnc(Cl)nc2)c1 ZINC001260183390 899075627 /nfs/dbraw/zinc/07/56/27/899075627.db2.gz OMQHVEGWKKUMCD-UHFFFAOYSA-N -2 0 313.722 1.629 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cn(CC3CC3)cn2)cc1 ZINC001260222000 899094509 /nfs/dbraw/zinc/09/45/09/899094509.db2.gz GATRWXBWEUWCAQ-UHFFFAOYSA-N -2 0 321.358 1.792 20 0 DDADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@H](C)C(=O)[O-])n2)cc1 ZINC000236788447 202009571 /nfs/dbraw/zinc/00/95/71/202009571.db2.gz MSDZNITWRIIEPP-SNVBAGLBSA-N -2 0 317.345 1.904 20 0 DDADRL C[C@H](NC(=O)CSCC(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594461949 356225738 /nfs/dbraw/zinc/22/57/38/356225738.db2.gz KFVSQGZGGYDZGK-XHNCKOQMSA-N -2 0 303.380 1.056 20 0 DDADRL Cn1nccc1S(=O)(=O)[N-]c1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000347399340 283212330 /nfs/dbraw/zinc/21/23/30/283212330.db2.gz ZQJIOOQVXXFXQZ-UHFFFAOYSA-N -2 0 320.330 1.400 20 0 DDADRL CC(C)C[C@H](CNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)C(=O)[O-] ZINC000626769769 367736688 /nfs/dbraw/zinc/73/66/88/367736688.db2.gz RHQXHLNBRYLEOU-QJPTWQEYSA-N -2 0 314.382 1.486 20 0 DDADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000350279684 284177408 /nfs/dbraw/zinc/17/74/08/284177408.db2.gz OZYGHWNGGQZPDL-UHFFFAOYSA-N -2 0 314.294 1.661 20 0 DDADRL O=C([O-])c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000351516372 284357452 /nfs/dbraw/zinc/35/74/52/284357452.db2.gz GCLRDWBGNLJYPS-AWEZNQCLSA-N -2 0 313.309 1.811 20 0 DDADRL O=C([O-])C1(CN=c2[n-]c(-c3ccc(F)cc3)no2)CCOCC1 ZINC000629765585 422805335 /nfs/dbraw/zinc/80/53/35/422805335.db2.gz ALOCTIMPGLFACN-UHFFFAOYSA-N -2 0 321.308 1.591 20 0 DDADRL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C1CC1 ZINC000054504553 407185829 /nfs/dbraw/zinc/18/58/29/407185829.db2.gz VANLFCCFAKTKCY-VIFPVBQESA-N -2 0 309.265 1.245 20 0 DDADRL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C1CC1 ZINC000054504555 407185994 /nfs/dbraw/zinc/18/59/94/407185994.db2.gz VANLFCCFAKTKCY-SECBINFHSA-N -2 0 309.265 1.245 20 0 DDADRL C[C@H](CN(C)C(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000263152097 408040625 /nfs/dbraw/zinc/04/06/25/408040625.db2.gz HOBSOVKFJBHYNV-SNVBAGLBSA-N -2 0 303.318 1.371 20 0 DDADRL Cc1c(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cnn1C ZINC000314813308 164016486 /nfs/dbraw/zinc/01/64/86/164016486.db2.gz YPDWEUSESNUQES-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL COCC1(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)CC1 ZINC000650390501 423145879 /nfs/dbraw/zinc/14/58/79/423145879.db2.gz BPFZGGQSIAGGKU-UHFFFAOYSA-N -2 0 301.320 1.011 20 0 DDADRL Cc1n[n-]c(=NC(=O)N(CC(=O)[O-])[C@@H](C)c2ccccc2)s1 ZINC000562407264 421362194 /nfs/dbraw/zinc/36/21/94/421362194.db2.gz MOFTXJPJCUDJFL-VIFPVBQESA-N -2 0 320.374 1.948 20 0 DDADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cn[nH]c1)CCCC2 ZINC000554659188 421657810 /nfs/dbraw/zinc/65/78/10/421657810.db2.gz LSXWOKLZBJRNKD-UHFFFAOYSA-N -2 0 321.358 1.788 20 0 DDADRL COc1cncc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c1 ZINC000542841352 421831144 /nfs/dbraw/zinc/83/11/44/421831144.db2.gz XQZPURVXHUUSOH-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2cc([O-])cc(F)c2)C1 ZINC000630442330 422106840 /nfs/dbraw/zinc/10/68/40/422106840.db2.gz AJEQHPMZBWYOPV-SECBINFHSA-N -2 0 317.338 1.407 20 0 DDADRL CC(C)N(CC(=O)[O-])S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000630441825 422107335 /nfs/dbraw/zinc/10/73/35/422107335.db2.gz BPQRDQYYQHFXKT-UHFFFAOYSA-N -2 0 307.755 1.529 20 0 DDADRL O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000653280740 423416149 /nfs/dbraw/zinc/41/61/49/423416149.db2.gz HRDMLBXYURLZPI-LLVKDONJSA-N -2 0 306.318 1.639 20 0 DDADRL CC(C)[C@@H](CNC(=O)N=c1nc(C(C)(C)C)[n-]s1)C(=O)[O-] ZINC000653537836 423518405 /nfs/dbraw/zinc/51/84/05/423518405.db2.gz IDRLGMXNEDHEGC-MRVPVSSYSA-N -2 0 314.411 1.736 20 0 DDADRL C[C@H](C(=O)[O-])N(C(=O)c1cccc(OCC(=O)[O-])c1)C1CC1 ZINC000656857914 423807039 /nfs/dbraw/zinc/80/70/39/423807039.db2.gz FXSSBQVSNVYLGC-SECBINFHSA-N -2 0 307.302 1.228 20 0 DDADRL O=C([O-])C1(CN=c2nc(C3CCCC3)[n-]s2)CCOCC1 ZINC000647457856 424044958 /nfs/dbraw/zinc/04/49/58/424044958.db2.gz CUUGDFHZNMYHNC-UHFFFAOYSA-N -2 0 311.407 1.911 20 0 DDADRL CC(C)[C@H](CNC(=O)NCc1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC000655879842 424689546 /nfs/dbraw/zinc/68/95/46/424689546.db2.gz SGFINXXQGNIFJC-LBPRGKRZSA-N -2 0 308.334 1.541 20 0 DDADRL Cc1cc(C(=O)Nc2cncc(F)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000341552977 271115721 /nfs/dbraw/zinc/11/57/21/271115721.db2.gz MTEXTQWMIPQLOC-UHFFFAOYSA-N -2 0 315.264 1.531 20 0 DDADRL Cc1cc(C(=O)Nc2ncccc2O)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000341891428 271234678 /nfs/dbraw/zinc/23/46/78/271234678.db2.gz RWRBMQJEJXEUJM-UHFFFAOYSA-N -2 0 313.273 1.097 20 0 DDADRL CN(Cc1ccccc1)C(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000274968747 289759085 /nfs/dbraw/zinc/75/90/85/289759085.db2.gz CDKBZDDWPFOBSO-INIZCTEOSA-N -2 0 320.345 1.490 20 0 DDADRL C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000663057275 484633202 /nfs/dbraw/zinc/63/32/02/484633202.db2.gz QWAIRYCLHCUCBS-ZYHUDNBSSA-N -2 0 321.329 1.475 20 0 DDADRL C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000663118240 484681903 /nfs/dbraw/zinc/68/19/03/484681903.db2.gz ZBUBBCXDZQYZJA-BXKDBHETSA-N -2 0 307.302 1.228 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])C1 ZINC000663149351 484704837 /nfs/dbraw/zinc/70/48/37/484704837.db2.gz WYWBIYJXYAMUQV-SCRDCRAPSA-N -2 0 317.341 1.698 20 0 DDADRL CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000314351627 599734946 /nfs/dbraw/zinc/73/49/46/599734946.db2.gz LNFNLKNAGCMHPZ-UHFFFAOYSA-N -2 0 324.314 1.737 20 0 DDADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2cccc(F)c2F)n1 ZINC000739921095 599739078 /nfs/dbraw/zinc/73/90/78/599739078.db2.gz SDDYMJRWFJGTHP-UHFFFAOYSA-N -2 0 317.273 1.047 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)o1 ZINC000740187435 599740326 /nfs/dbraw/zinc/74/03/26/599740326.db2.gz KLYDZVATLPXMEZ-UHFFFAOYSA-N -2 0 309.303 1.446 20 0 DDADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cc(C)ccn2)c1C(=O)[O-] ZINC000037300489 599882637 /nfs/dbraw/zinc/88/26/37/599882637.db2.gz NIKMQRSEEDDEKP-UHFFFAOYSA-N -2 0 310.331 2.099 20 0 DDADRL Cc1cccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)c1 ZINC000040162617 600050992 /nfs/dbraw/zinc/05/09/92/600050992.db2.gz CJLVAOIHINUDHV-UHFFFAOYSA-N -2 0 312.372 1.879 20 0 DDADRL Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)n1 ZINC000314536989 600178901 /nfs/dbraw/zinc/17/89/01/600178901.db2.gz SUCYHBRRTZFJRY-UHFFFAOYSA-N -2 0 322.342 1.654 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc(C)ccc2C)c1C(=O)[O-] ZINC000738574427 600229346 /nfs/dbraw/zinc/22/93/46/600229346.db2.gz ORRNQYAUMHPKEI-UHFFFAOYSA-N -2 0 309.347 1.834 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)/C=C/C1CCCCC1 ZINC000739695706 600473480 /nfs/dbraw/zinc/47/34/80/600473480.db2.gz LLPGVPKMHDSJQB-CMDGGOBGSA-N -2 0 303.380 1.434 20 0 DDADRL CC1=C(C(=O)[O-])[C@@H](c2cccc(OCC(=O)[O-])c2)NC(=S)N1 ZINC000736751063 600625233 /nfs/dbraw/zinc/62/52/33/600625233.db2.gz OLGAMMUWPMPSQX-GFCCVEGCSA-N -2 0 322.342 1.027 20 0 DDADRL O=C([O-])C[C@@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])C1CC1 ZINC000833199812 601563203 /nfs/dbraw/zinc/56/32/03/601563203.db2.gz FTLQDKLCISWEBS-GFCCVEGCSA-N -2 0 315.329 1.561 20 0 DDADRL Cc1cccc(C(=O)[O-])c1NS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000832963074 601614532 /nfs/dbraw/zinc/61/45/32/601614532.db2.gz JPSOBYQIVPLJSN-QMMMGPOBSA-N -2 0 301.320 1.156 20 0 DDADRL O=C([O-])Nc1ccc(CC(=O)[N-]S(=O)(=O)CC2CC2)cc1 ZINC000740703805 602998207 /nfs/dbraw/zinc/99/82/07/602998207.db2.gz WMQROPPVXWOAFL-UHFFFAOYSA-N -2 0 312.347 1.175 20 0 DDADRL Cc1cc([N-]C(=O)c2nc([C@H](C)CN(C)C(=O)[O-])no2)no1 ZINC000740090363 603018164 /nfs/dbraw/zinc/01/81/64/603018164.db2.gz CRJVIIUHCHJHHW-ZCFIWIBFSA-N -2 0 309.282 1.332 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000826576673 603447808 /nfs/dbraw/zinc/44/78/08/603447808.db2.gz XWWZVRBOHCIWCG-UWVGGRQHSA-N -2 0 320.411 1.447 20 0 DDADRL O=C([O-])NC[C@@H]1CCCCN1C(=O)c1c([O-])cc(F)cc1F ZINC000832521599 604926300 /nfs/dbraw/zinc/92/63/00/604926300.db2.gz OUEMCAPKSLBKBK-VIFPVBQESA-N -2 0 314.288 1.933 20 0 DDADRL O=C([O-])NCCCCC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000834234394 605921035 /nfs/dbraw/zinc/92/10/35/605921035.db2.gz DOUYUUXTORGYAL-UHFFFAOYSA-N -2 0 320.305 1.406 20 0 DDADRL O=C([O-])C[C@H](NC(=O)CN(CC1CC1)C(=O)[O-])c1ccccc1 ZINC000834061450 606029696 /nfs/dbraw/zinc/02/96/96/606029696.db2.gz UYEMUJGFJHMFAM-ZDUSSCGKSA-N -2 0 320.345 1.709 20 0 DDADRL O=C([O-])NC1(CC(=O)N2CCc3cc(C(=O)[O-])ccc32)CCC1 ZINC000834153771 606035164 /nfs/dbraw/zinc/03/51/64/606035164.db2.gz ANZPODRDJGYYLP-UHFFFAOYSA-N -2 0 318.329 1.854 20 0 DDADRL O=C([O-])CN(Cc1ccccc1)C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000834064963 606048583 /nfs/dbraw/zinc/04/85/83/606048583.db2.gz HRITURJKAYGCOB-LBPRGKRZSA-N -2 0 306.318 1.100 20 0 DDADRL O=C([O-])NCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000834229347 606048988 /nfs/dbraw/zinc/04/89/88/606048988.db2.gz FPGNUOANDBBTTL-LBPRGKRZSA-N -2 0 306.318 1.072 20 0 DDADRL O=C([O-])/C=C/c1ccc(NC(=O)[C@@H]2CSCN2C(=O)[O-])cc1 ZINC000834059887 606055145 /nfs/dbraw/zinc/05/51/45/606055145.db2.gz DAXRRCOCNHSDGH-GQOHGMTASA-N -2 0 322.342 1.776 20 0 DDADRL O=C([O-])Nc1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000834257366 606113083 /nfs/dbraw/zinc/11/30/83/606113083.db2.gz IKSKJMPYNSVYSZ-ZETCQYMHSA-N -2 0 312.709 1.977 20 0 DDADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]OCCC(F)(F)F ZINC000760515537 700812496 /nfs/dbraw/zinc/81/24/96/700812496.db2.gz CZWJOEVMDBFYFM-UHFFFAOYSA-N -2 0 310.194 1.444 20 0 DDADRL CC(C)C[C@@H](CNC(=O)C(=O)[N-]OC1CCCCC1)C(=O)[O-] ZINC000818659588 703953802 /nfs/dbraw/zinc/95/38/02/703953802.db2.gz XFSJIKMCAMOMBK-NSHDSACASA-N -2 0 314.382 1.230 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000863953790 706045341 /nfs/dbraw/zinc/04/53/41/706045341.db2.gz YYCXSKIXRSICJW-DTWKUNHWSA-N -2 0 315.322 1.132 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cn1 ZINC000863954698 706045920 /nfs/dbraw/zinc/04/59/20/706045920.db2.gz JXLOCRVLYORYFT-UHFFFAOYSA-N -2 0 314.363 1.276 20 0 DDADRL CC(C)CCS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000863954752 706045963 /nfs/dbraw/zinc/04/59/63/706045963.db2.gz LSUUSEIFUAMELG-LLVKDONJSA-N -2 0 305.396 1.370 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])cc1Cl ZINC000863957287 706046099 /nfs/dbraw/zinc/04/60/99/706046099.db2.gz WCYVQYSMAFSTGC-UHFFFAOYSA-N -2 0 305.739 1.318 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])sc1C ZINC000863957191 706046204 /nfs/dbraw/zinc/04/62/04/706046204.db2.gz LDAUSAITJYQSSR-UHFFFAOYSA-N -2 0 305.377 1.281 20 0 DDADRL Cc1ccc(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)cc1 ZINC000863961106 706046874 /nfs/dbraw/zinc/04/68/74/706046874.db2.gz HBDOJSSAPINADD-UHFFFAOYSA-N -2 0 323.370 1.362 20 0 DDADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2sccc2Cl)CCC1 ZINC000863963124 706047349 /nfs/dbraw/zinc/04/73/49/706047349.db2.gz KXMHXFGRZSURSF-UHFFFAOYSA-N -2 0 323.779 1.461 20 0 DDADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)nc1 ZINC000863963862 706047469 /nfs/dbraw/zinc/04/74/69/706047469.db2.gz JDFCQNWNQNOLHG-VDDIYKPWSA-N -2 0 324.358 1.028 20 0 DDADRL C[C@@H]1C(=O)N([N-]C(=O)c2cc(F)cc(Cl)c2[O-])C(=O)N1C ZINC000899030272 708958763 /nfs/dbraw/zinc/95/87/63/708958763.db2.gz ADHCKUWECRECOY-RXMQYKEDSA-N -2 0 315.688 1.112 20 0 DDADRL Cc1ccc(C)c(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910185707 709802104 /nfs/dbraw/zinc/80/21/04/709802104.db2.gz KBQHQCUFDSIGPO-AAEUAGOBSA-N -2 0 305.330 1.693 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)Cc2cccc(F)c2)C1 ZINC000910186454 709802688 /nfs/dbraw/zinc/80/26/88/709802688.db2.gz RIEGBTKSJBTHBN-ZYHUDNBSSA-N -2 0 309.293 1.145 20 0 DDADRL C/C(=C\C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccccc1 ZINC000910190351 709804842 /nfs/dbraw/zinc/80/48/42/709804842.db2.gz WLGOTIDJPSKPBU-CACDNMLQSA-N -2 0 317.341 1.866 20 0 DDADRL Cn1cc(Cl)cc1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910192999 709806309 /nfs/dbraw/zinc/80/63/09/709806309.db2.gz ZXTFWGUVMXYGFJ-VXNVDRBHSA-N -2 0 314.725 1.069 20 0 DDADRL O=C([O-])[C@@H]1CO[C@H](CCC(=O)NOCc2ccc(F)cc2)C1 ZINC000911805799 711003492 /nfs/dbraw/zinc/00/34/92/711003492.db2.gz MOEORZSJFPAUNM-WCQYABFASA-N -2 0 311.309 1.643 20 0 DDADRL CC[C@@H](C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906863674 712424205 /nfs/dbraw/zinc/42/42/05/712424205.db2.gz TUASFERDQWAGST-SECBINFHSA-N -2 0 301.364 1.757 20 0 DDADRL CCN(CC(F)F)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906932631 712441903 /nfs/dbraw/zinc/44/19/03/712441903.db2.gz GXRAJKGOZMSBOD-UHFFFAOYSA-N -2 0 309.290 1.366 20 0 DDADRL C[C@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1F)C(F)(F)F ZINC000906984918 712456822 /nfs/dbraw/zinc/45/68/22/712456822.db2.gz AKLHOMRPMHMVSJ-YFKPBYRVSA-N -2 0 315.244 1.753 20 0 DDADRL CC[C@H](C)[C@@H](CO)NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189899488 745048107 /nfs/dbraw/zinc/04/81/07/745048107.db2.gz CMQUFIKQMKPCJU-GXSJLCMTSA-N -2 0 317.278 1.295 20 0 DDADRL CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189899301 745048200 /nfs/dbraw/zinc/04/82/00/745048200.db2.gz NYAXQRRTRRSEDK-QWRGUYRKSA-N -2 0 315.262 1.047 20 0 DDADRL N#C[N-]S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196105026 746777453 /nfs/dbraw/zinc/77/74/53/746777453.db2.gz CPKWPEYQTJQORC-UHFFFAOYSA-N -2 0 302.311 1.811 20 0 DDADRL CCc1cnc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cn1 ZINC001198739756 747584990 /nfs/dbraw/zinc/58/49/90/747584990.db2.gz YVTPJOLQOTXOIV-UHFFFAOYSA-N -2 0 307.331 1.538 20 0 DDADRL CC(C)n1cnc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198746303 747588991 /nfs/dbraw/zinc/58/89/91/747588991.db2.gz CFVCLGUWZIZABJ-UHFFFAOYSA-N -2 0 309.347 1.963 20 0 DDADRL CCOC(=O)c1cc(NCCOP(=O)([O-])[O-])cnc1C ZINC001168592307 751227491 /nfs/dbraw/zinc/22/74/91/751227491.db2.gz QDAUAGSJIXWPLA-UHFFFAOYSA-N -2 0 304.239 1.088 20 0 DDADRL Cc1ccc2nc(C(=O)NCCOP(=O)([O-])[O-])sc2c1 ZINC001147562781 773182421 /nfs/dbraw/zinc/18/24/21/773182421.db2.gz LXCPVDGDUHWVPX-UHFFFAOYSA-N -2 0 316.275 1.444 20 0 DDADRL CSc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1C ZINC001226018763 842586704 /nfs/dbraw/zinc/58/67/04/842586704.db2.gz RPSJJSPUPIOSMH-SECBINFHSA-N -2 0 322.275 1.093 20 0 DDADRL O=C(NCCCC[P@](=O)([O-])O)c1cc2c([nH]1)CCCC2 ZINC001150644699 862383454 /nfs/dbraw/zinc/38/34/54/862383454.db2.gz QSMJEBPZBAWINC-UHFFFAOYSA-N -2 0 300.295 1.581 20 0 DDADRL CCCC[C@H](CC)COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001224708288 881504603 /nfs/dbraw/zinc/50/46/03/881504603.db2.gz ZPBVIKFGYXUHDW-JBLDHEPKSA-N -2 0 304.339 1.282 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc(-c2c(F)cccc2F)no1 ZINC001141573948 860890008 /nfs/dbraw/zinc/89/00/08/860890008.db2.gz VYGNGEHISJKAJX-UHFFFAOYSA-N -2 0 323.215 1.006 20 0 DDADRL O=C(Oc1ccc2ccccc2c1)[C@H](O)COP(=O)([O-])[O-] ZINC001225266939 881751032 /nfs/dbraw/zinc/75/10/32/881751032.db2.gz FDKOOSHLPFDAJA-GFCCVEGCSA-N -2 0 312.214 1.215 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1c[nH]c2ccc(F)cc12 ZINC001154137506 864440516 /nfs/dbraw/zinc/44/05/16/864440516.db2.gz IVLSTZXSKREVQL-UHFFFAOYSA-N -2 0 302.198 1.146 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2cncc(N)c2)cccc1C(=O)[O-] ZINC001216658562 877012061 /nfs/dbraw/zinc/01/20/61/877012061.db2.gz FEPNAAXMMVCPKB-UHFFFAOYSA-N -2 0 307.331 1.471 20 0 DDADRL CC(C)c1cccc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001223949048 881156924 /nfs/dbraw/zinc/15/69/24/881156924.db2.gz RROWFMMVGQQFQH-GXTWGEPZSA-N -2 0 324.329 1.390 20 0 DDADRL O=C([N-]N1CCOC1=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001363988833 887676703 /nfs/dbraw/zinc/67/67/03/887676703.db2.gz AKODYTSFMDBSSD-UHFFFAOYSA-N -2 0 322.708 1.328 20 0 DDADRL O=C(c1ccc(Cl)c([O-])c1)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001364049353 887796319 /nfs/dbraw/zinc/79/63/19/887796319.db2.gz DXTPEGXCWXBDKK-SECBINFHSA-N -2 0 321.768 1.654 20 0 DDADRL COc1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cc1C(=O)[O-] ZINC001241881046 891285599 /nfs/dbraw/zinc/28/55/99/891285599.db2.gz KNIPJHWDKWUAAO-UHFFFAOYSA-N -3 0 308.226 1.863 20 0 DDADRL CC(C)CS(=O)(=O)[N-]c1cccc(C(=O)N(C)C)c1[O-] ZINC001259885495 898897443 /nfs/dbraw/zinc/89/74/43/898897443.db2.gz DLVWOFLBQGUUCT-UHFFFAOYSA-N -2 0 300.380 1.492 20 0 DDADRL CC(C)c1nnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)o1 ZINC001260182927 899076888 /nfs/dbraw/zinc/07/68/88/899076888.db2.gz WNRMCWXYQKRSKX-UHFFFAOYSA-N -2 0 311.319 1.692 20 0 DDADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ncc(F)s2)c1 ZINC001260209291 899090182 /nfs/dbraw/zinc/09/01/82/899090182.db2.gz VOXLPSDADABJEJ-UHFFFAOYSA-N -2 0 320.298 1.920 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc3ccccn3n2)cc1 ZINC001260223701 899097251 /nfs/dbraw/zinc/09/72/51/899097251.db2.gz XUMCLSMAFWEMFM-UHFFFAOYSA-N -2 0 317.326 1.833 20 0 DDADRL COc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1O ZINC000387141617 901029034 /nfs/dbraw/zinc/02/90/34/901029034.db2.gz DCYGVLNIPXMMOF-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(C)c2)c(C)c1C(=O)[O-] ZINC000156294663 290710823 /nfs/dbraw/zinc/71/08/23/290710823.db2.gz QTPZXWLFZVJYSH-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2cc(C)c(C)cc2C(=O)[O-])c[nH]1 ZINC000358494135 299172479 /nfs/dbraw/zinc/17/24/79/299172479.db2.gz KFNABODJTLFQNT-UHFFFAOYSA-N -2 0 309.347 1.834 20 0 DDADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cn[nH]c1 ZINC000355786858 291006592 /nfs/dbraw/zinc/00/65/92/291006592.db2.gz RNHSMKHATZUWKQ-UHFFFAOYSA-N -2 0 315.738 1.871 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000336850345 249256382 /nfs/dbraw/zinc/25/63/82/249256382.db2.gz WXXRYUYTVQEGEH-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000044260623 183402579 /nfs/dbraw/zinc/40/25/79/183402579.db2.gz PKJDTDYPKPUYRG-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL O=C([O-])CCCCCNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000414624698 224362441 /nfs/dbraw/zinc/36/24/41/224362441.db2.gz JOKFXDVTGGFQLH-UHFFFAOYSA-N -2 0 300.355 1.574 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2ccn(C)n2)sc1C(=O)[O-] ZINC000037408676 406988684 /nfs/dbraw/zinc/98/86/84/406988684.db2.gz SSWLOZAPKRWJFS-UHFFFAOYSA-N -2 0 301.349 1.289 20 0 DDADRL CC(C)n1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cn1 ZINC000315059582 409835719 /nfs/dbraw/zinc/83/57/19/409835719.db2.gz QJYXYKFTKOMRDR-UHFFFAOYSA-N -2 0 323.374 1.892 20 0 DDADRL O=C([O-])c1ccc(NC(=O)c2cnc(C(=O)[O-])cn2)c(F)c1 ZINC000338407634 409964047 /nfs/dbraw/zinc/96/40/47/409964047.db2.gz OYHNLQXBLXPWJX-UHFFFAOYSA-N -2 0 305.221 1.264 20 0 DDADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3c2OCO3)cc1 ZINC000337754691 410984721 /nfs/dbraw/zinc/98/47/21/410984721.db2.gz LAVLFIHCEWNLJD-UHFFFAOYSA-N -2 0 321.310 1.914 20 0 DDADRL Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000314098869 418593167 /nfs/dbraw/zinc/59/31/67/418593167.db2.gz BMDBYNLDPQDENG-UHFFFAOYSA-N -2 0 314.294 1.930 20 0 DDADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)c1 ZINC000367915973 418656339 /nfs/dbraw/zinc/65/63/39/418656339.db2.gz FUPSYXBMASSXHW-UHFFFAOYSA-N -2 0 321.358 1.718 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2cnoc2C)sc1C(=O)[O-] ZINC000433809254 229236391 /nfs/dbraw/zinc/23/63/91/229236391.db2.gz SXBZYAFFGYYTKC-UHFFFAOYSA-N -2 0 302.333 1.852 20 0 DDADRL COc1cccc(C)c1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000435713402 420280345 /nfs/dbraw/zinc/28/03/45/420280345.db2.gz DAMAZUATQAEGSD-UHFFFAOYSA-N -2 0 310.331 1.831 20 0 DDADRL Cc1[nH][nH]c(=O)c1CCN=c1nc(-c2ccccc2C)[n-]s1 ZINC000527893275 421452389 /nfs/dbraw/zinc/45/23/89/421452389.db2.gz NRUYOZYIPSNHMS-GFCCVEGCSA-N -2 0 315.402 1.859 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000530148185 421583202 /nfs/dbraw/zinc/58/32/02/421583202.db2.gz BYDBXROIXUDOPS-HLTSFMKQSA-N -2 0 316.404 1.556 20 0 DDADRL C[C@@H]1CCN(C(=O)N=c2ncn(C(C)(C)C)[n-]2)C[C@@H]1C(=O)[O-] ZINC000522002324 421811405 /nfs/dbraw/zinc/81/14/05/421811405.db2.gz SKGGHMFABWFRRA-ZJUUUORDSA-N -2 0 309.370 1.030 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)c1 ZINC000653278038 423414943 /nfs/dbraw/zinc/41/49/43/423414943.db2.gz CJCJXQTYDPEDQZ-INIZCTEOSA-N -2 0 303.314 1.812 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)C1 ZINC000653280660 423415984 /nfs/dbraw/zinc/41/59/84/423415984.db2.gz DJYYNSQOLTYRKC-LRDDRELGSA-N -2 0 309.362 1.901 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])C1 ZINC000653278672 423416180 /nfs/dbraw/zinc/41/61/80/423416180.db2.gz DYCCNNDYNOOOPZ-MLGHIDQZSA-N -2 0 309.362 1.732 20 0 DDADRL O=S(=O)(CCOCC1CC1)[N-]c1cc(F)cc(F)c1[O-] ZINC000641693417 423874066 /nfs/dbraw/zinc/87/40/66/423874066.db2.gz YNQJAQWQOTUNGV-UHFFFAOYSA-N -2 0 307.318 1.839 20 0 DDADRL CC[C@H](C(=O)[O-])N(C)c1cc(N(C)[C@@H](CC)C(=O)[O-])ncn1 ZINC000662884435 424797504 /nfs/dbraw/zinc/79/75/04/424797504.db2.gz UHQCEBBRLUCTFQ-AOOOYVTPSA-N -2 0 310.354 1.075 20 0 DDADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cnccc2C)ccc1O ZINC000316708878 271020697 /nfs/dbraw/zinc/02/06/97/271020697.db2.gz RCPNMTVFPRRRJK-UHFFFAOYSA-N -2 0 322.342 1.683 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1 ZINC000124647261 281193002 /nfs/dbraw/zinc/19/30/02/281193002.db2.gz CWDPGQGLOHXVAC-UHFFFAOYSA-N -2 0 311.319 1.108 20 0 DDADRL Cc1c(C(=O)[O-])sc2ncnc(NCCc3nc(=N)[n-]o3)c12 ZINC000519606306 302844150 /nfs/dbraw/zinc/84/41/50/302844150.db2.gz NAQQWQOYVKFOEF-UHFFFAOYSA-N -2 0 320.334 1.148 20 0 DDADRL O=C([O-])c1ccc2cccnc2c1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000547550968 303540609 /nfs/dbraw/zinc/54/06/09/303540609.db2.gz WCJQOLSXVMZMOO-UHFFFAOYSA-N -2 0 318.314 1.457 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cs1 ZINC000361777859 307006183 /nfs/dbraw/zinc/00/61/83/307006183.db2.gz YOOMQJGSHRAYIC-UHFFFAOYSA-N -2 0 323.302 1.839 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnn(C)c1C ZINC000571617541 308198402 /nfs/dbraw/zinc/19/84/02/308198402.db2.gz IOARHUVHOGYWBG-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL C[C@H]1CCN(C(=O)N=c2[n-]nc(C(F)F)s2)C[C@H]1C(=O)[O-] ZINC000581072520 308651994 /nfs/dbraw/zinc/65/19/94/308651994.db2.gz SVZBCPXMUSPEMY-NTSWFWBYSA-N -2 0 320.321 1.472 20 0 DDADRL C[C@H]1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000663058006 484634249 /nfs/dbraw/zinc/63/42/49/484634249.db2.gz LVVGONQXDXHPPA-GWCFXTLKSA-N -2 0 321.329 1.333 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000666555487 485270880 /nfs/dbraw/zinc/27/08/80/485270880.db2.gz NTTWDMLZOBGSQG-UHFFFAOYSA-N -2 0 320.345 1.827 20 0 DDADRL Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738478714 599739932 /nfs/dbraw/zinc/73/99/32/599739932.db2.gz JVUBEHUPOWZMSG-UHFFFAOYSA-N -2 0 321.314 1.963 20 0 DDADRL O=C([O-])NCCC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000739937993 599797413 /nfs/dbraw/zinc/79/74/13/599797413.db2.gz LAPZMKFROPTEIE-UHFFFAOYSA-N -2 0 322.342 1.302 20 0 DDADRL CC1=C(C(=O)[O-])[C@H](c2ccc(OCC(=O)[O-])cc2)NC(=S)N1 ZINC000736750296 599985749 /nfs/dbraw/zinc/98/57/49/599985749.db2.gz JGHOFNONXGTIMG-LBPRGKRZSA-N -2 0 322.342 1.027 20 0 DDADRL CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000037508959 600105081 /nfs/dbraw/zinc/10/50/81/600105081.db2.gz OKYCFCXPHUXHKC-UHFFFAOYSA-N -2 0 310.331 1.845 20 0 DDADRL CSCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000738187755 600130328 /nfs/dbraw/zinc/13/03/28/600130328.db2.gz ODHNDVMFWBAGJS-UHFFFAOYSA-N -2 0 309.390 1.004 20 0 DDADRL CN(C)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)nc1 ZINC000737375506 600246838 /nfs/dbraw/zinc/24/68/38/600246838.db2.gz LASDDNRSDXCMOW-UHFFFAOYSA-N -2 0 321.358 1.647 20 0 DDADRL C[C@H]1CCCC[C@H]1CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736783225 600462978 /nfs/dbraw/zinc/46/29/78/600462978.db2.gz XIPBGCGURALFCV-QWRGUYRKSA-N -2 0 305.396 1.514 20 0 DDADRL Cc1ccc(C)c(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1 ZINC000038030438 600528968 /nfs/dbraw/zinc/52/89/68/600528968.db2.gz MOHMPJFYNVRKKB-UHFFFAOYSA-N -2 0 309.347 1.385 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cn1 ZINC000206726937 601322589 /nfs/dbraw/zinc/32/25/89/601322589.db2.gz GKAGZHUFGMRRIN-DAXSKMNVSA-N -2 0 307.331 1.319 20 0 DDADRL C[C@@H]1CN(C(=O)c2nn(-c3ccccc3)cc2[O-])C[C@@H]1C(=O)[O-] ZINC000828411566 601800517 /nfs/dbraw/zinc/80/05/17/601800517.db2.gz IJCKRVGKBPHJNN-PWSUYJOCSA-N -2 0 315.329 1.371 20 0 DDADRL CC(C)Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n[nH]1 ZINC000826910027 602211174 /nfs/dbraw/zinc/21/11/74/602211174.db2.gz WVWGGDGTXWWVSQ-UHFFFAOYSA-N -2 0 312.351 1.435 20 0 DDADRL O=C([O-])NCCOc1cccc(NC(=O)c2ncccc2[O-])c1 ZINC000740669319 602284042 /nfs/dbraw/zinc/28/40/42/602284042.db2.gz WNDQWGYIZKBKSF-UHFFFAOYSA-N -2 0 317.301 1.686 20 0 DDADRL CC(C)(C)CS(=O)(=O)[N-]C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736260415 602748172 /nfs/dbraw/zinc/74/81/72/602748172.db2.gz CZHWHIJFPZLWTP-UHFFFAOYSA-N -2 0 314.363 1.882 20 0 DDADRL COc1ccccc1[C@H](NC(=O)[O-])C(=O)[N-]O[C@@H]1CCCCO1 ZINC000739967163 602900246 /nfs/dbraw/zinc/90/02/46/602900246.db2.gz GKQDYZJBBAVTEB-OLZOCXBDSA-N -2 0 324.333 1.578 20 0 DDADRL CC(C)S(=O)(=O)[N-]C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000738868609 602961566 /nfs/dbraw/zinc/96/15/66/602961566.db2.gz DGDOZROXPOUYRL-UHFFFAOYSA-N -2 0 320.754 1.898 20 0 DDADRL C[C@H](CN(C)C(=O)[O-])C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000824874509 604144120 /nfs/dbraw/zinc/14/41/20/604144120.db2.gz RXNLNPDURFUVNY-MRVPVSSYSA-N -2 0 320.305 1.214 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2)o1 ZINC000832701992 604207722 /nfs/dbraw/zinc/20/77/22/604207722.db2.gz JWOYYQRKLMWTQG-UHFFFAOYSA-N -2 0 324.314 1.166 20 0 DDADRL CC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000827524607 605171883 /nfs/dbraw/zinc/17/18/83/605171883.db2.gz OJZVZFYKIQCXHX-JTQLQIEISA-N -2 0 314.363 1.155 20 0 DDADRL CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000833454901 605223301 /nfs/dbraw/zinc/22/33/01/605223301.db2.gz WXWQJDHEEJTBKS-UHFFFAOYSA-N -2 0 319.317 1.859 20 0 DDADRL O=C([O-])Cc1csc(NC(=O)C[C@@H]2CCCN2C(=O)[O-])n1 ZINC000834066985 606028107 /nfs/dbraw/zinc/02/81/07/606028107.db2.gz CHWMHIVUALHCKX-QMMMGPOBSA-N -2 0 313.335 1.241 20 0 DDADRL O=C([O-])c1ccc(CNC(=O)[C@H]2CSCN2C(=O)[O-])cc1 ZINC000834283566 606028583 /nfs/dbraw/zinc/02/85/83/606028583.db2.gz QSAIUDUPHKUNIX-SNVBAGLBSA-N -2 0 310.331 1.054 20 0 DDADRL O=C([O-])c1ccc(CCNC(=O)[C@H]2CSCN2C(=O)[O-])cc1 ZINC000834283955 606032107 /nfs/dbraw/zinc/03/21/07/606032107.db2.gz ZUVVHAKVECCYSM-LLVKDONJSA-N -2 0 324.358 1.096 20 0 DDADRL O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@H]1CSCN1C(=O)[O-] ZINC000834282588 606034945 /nfs/dbraw/zinc/03/49/45/606034945.db2.gz BOPITSSVXMXLAD-LLVKDONJSA-N -2 0 322.342 1.327 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@H]1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000834173033 606035030 /nfs/dbraw/zinc/03/50/30/606035030.db2.gz OOXVKGUEDUOWRO-OUAUKWLOSA-N -2 0 310.350 1.136 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)N2CCc3cc(C(=O)[O-])ccc32)C1 ZINC000834166571 606035109 /nfs/dbraw/zinc/03/51/09/606035109.db2.gz WZPGHQHOKWZINC-ZYHUDNBSSA-N -2 0 318.329 1.710 20 0 DDADRL O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000834283718 606035171 /nfs/dbraw/zinc/03/51/71/606035171.db2.gz UUTACUBEVCDJCM-LBPRGKRZSA-N -2 0 304.302 1.416 20 0 DDADRL O=C([O-])N[C@@H](CC(=O)N[C@H](C(=O)[O-])C1CC1)Cc1ccccc1 ZINC000834122439 606052700 /nfs/dbraw/zinc/05/27/00/606052700.db2.gz LQRGODJQOAOLJA-OCCSQVGLSA-N -2 0 320.345 1.235 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000834245834 606059040 /nfs/dbraw/zinc/05/90/40/606059040.db2.gz GMJJDETYFZZLOX-UHFFFAOYSA-N -2 0 320.345 1.827 20 0 DDADRL O=C([O-])N[C@H](C(=O)NC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000834251706 606059188 /nfs/dbraw/zinc/05/91/88/606059188.db2.gz NNCBPMQFKFUYCX-BPCQOVAHSA-N -2 0 320.345 1.755 20 0 DDADRL O=C([O-])C[C@@H]1CN(C(=O)Cc2ccc(NC(=O)[O-])cc2)CCO1 ZINC000834060878 606061941 /nfs/dbraw/zinc/06/19/41/606061941.db2.gz LODKKLDGKFWFMT-GFCCVEGCSA-N -2 0 322.317 1.021 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000834247433 606065699 /nfs/dbraw/zinc/06/56/99/606065699.db2.gz WOPMACPPVGPVOL-AWEZNQCLSA-N -2 0 310.281 1.093 20 0 DDADRL O=C([O-])c1ccc(F)c(NC(=O)CN(CC2CC2)C(=O)[O-])c1 ZINC000834007731 606066203 /nfs/dbraw/zinc/06/62/03/606066203.db2.gz WWQWVWGJJJQTSW-UHFFFAOYSA-N -2 0 310.281 1.852 20 0 DDADRL O=C([O-])c1ccc(F)c(NC(=O)[C@H]2CSCN2C(=O)[O-])c1 ZINC000834283953 606067577 /nfs/dbraw/zinc/06/75/77/606067577.db2.gz ZSLHTGNGSSEWBH-SECBINFHSA-N -2 0 314.294 1.515 20 0 DDADRL O=C([O-])N[C@@H](CC(=O)N1CC[C@@H](C(=O)[O-])C1)Cc1ccccc1 ZINC000834122887 606112315 /nfs/dbraw/zinc/11/23/15/606112315.db2.gz VJKLAJFUMTUOGN-CHWSQXEVSA-N -2 0 320.345 1.189 20 0 DDADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cnn(CC3CC3)c2)c1 ZINC000777590273 698206177 /nfs/dbraw/zinc/20/61/77/698206177.db2.gz DDDRLHZBIZGRSI-UHFFFAOYSA-N -2 0 321.358 1.792 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000263540214 698512593 /nfs/dbraw/zinc/51/25/93/698512593.db2.gz CFENEIVSTKPMCP-CBAPKCEASA-N -2 0 324.299 1.154 20 0 DDADRL CCc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000800844086 700248172 /nfs/dbraw/zinc/24/81/72/700248172.db2.gz CKJQNVWZGFHPJX-UHFFFAOYSA-N -2 0 314.294 1.875 20 0 DDADRL CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)cc1 ZINC000788133396 699282679 /nfs/dbraw/zinc/28/26/79/699282679.db2.gz XUMSCFBUBDPAPX-UHFFFAOYSA-N -2 0 309.347 1.482 20 0 DDADRL Cc1sc(-c2ccco2)nc1C(=O)[N-]n1c(=O)[n-][nH]c1=O ZINC000816734579 702169965 /nfs/dbraw/zinc/16/99/65/702169965.db2.gz VAKQKHIMWGTXMZ-UHFFFAOYSA-N -2 0 307.291 1.098 20 0 DDADRL O=C([O-])COCC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000843327894 702860270 /nfs/dbraw/zinc/86/02/70/702860270.db2.gz QTRJUKNBKJTUQJ-UHFFFAOYSA-N -2 0 321.329 1.192 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000846710923 703322534 /nfs/dbraw/zinc/32/25/34/703322534.db2.gz HOIHHNVXMOPYQV-JTQLQIEISA-N -2 0 324.299 1.013 20 0 DDADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000863951804 706044577 /nfs/dbraw/zinc/04/45/77/706044577.db2.gz SUWWVYGKTUHZTG-UHFFFAOYSA-N -2 0 319.766 1.790 20 0 DDADRL CCCCS(=O)(=O)[N-]C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000863953487 706045446 /nfs/dbraw/zinc/04/54/46/706045446.db2.gz WECBREJAWXXVCO-UHFFFAOYSA-N -2 0 315.347 1.010 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])c2ccccc21 ZINC000863957841 706046769 /nfs/dbraw/zinc/04/67/69/706046769.db2.gz VEXYREHTJYDHBY-UHFFFAOYSA-N -2 0 324.358 1.094 20 0 DDADRL CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-] ZINC000863962677 706047051 /nfs/dbraw/zinc/04/70/51/706047051.db2.gz TUFCSLUQLRJFOC-LLVKDONJSA-N -2 0 313.375 1.695 20 0 DDADRL Cc1ccsc1S(=O)(=O)[N-]C(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000863961480 706047063 /nfs/dbraw/zinc/04/70/63/706047063.db2.gz MMRIBAUOPYCRRH-GFCCVEGCSA-N -2 0 317.388 1.362 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])ccc1Cl ZINC000863965557 706047858 /nfs/dbraw/zinc/04/78/58/706047858.db2.gz INJGPRQBPXLEPI-UHFFFAOYSA-N -2 0 319.766 1.564 20 0 DDADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(C)[C@@H](C)C(=O)[O-])n2)c1 ZINC000908983501 712908430 /nfs/dbraw/zinc/90/84/30/712908430.db2.gz CTAADAFXCBRMCE-VIFPVBQESA-N -2 0 321.308 1.571 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000910183853 709801122 /nfs/dbraw/zinc/80/11/22/709801122.db2.gz ODKQXUZUFLOKNZ-NZEXEKPDSA-N -2 0 307.346 1.365 20 0 DDADRL CCc1ccsc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910189227 709803904 /nfs/dbraw/zinc/80/39/04/709803904.db2.gz REFYPLHHUIHXHY-UWVGGRQHSA-N -2 0 311.359 1.701 20 0 DDADRL Cc1cccc(CC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910189787 709804449 /nfs/dbraw/zinc/80/44/49/709804449.db2.gz TXBLLVMXDTVAKJ-OLZOCXBDSA-N -2 0 305.330 1.314 20 0 DDADRL CSC[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)C(=O)[O-] ZINC000910874368 710103070 /nfs/dbraw/zinc/10/30/70/710103070.db2.gz AFOQTWXIFGYREK-MRVPVSSYSA-N -2 0 307.730 1.731 20 0 DDADRL C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000901658639 710111607 /nfs/dbraw/zinc/11/16/07/710111607.db2.gz VSEJRAYQMSOTNH-CMPLNLGQSA-N -2 0 305.330 1.639 20 0 DDADRL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000901700349 710124509 /nfs/dbraw/zinc/12/45/09/710124509.db2.gz FXUWQVSWPPTPRS-XPZRHXQJSA-N -2 0 317.341 1.424 20 0 DDADRL C[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1F)C(F)(F)F ZINC000906984917 712456779 /nfs/dbraw/zinc/45/67/79/712456779.db2.gz AKLHOMRPMHMVSJ-RXMQYKEDSA-N -2 0 315.244 1.753 20 0 DDADRL COc1cccc(CC(=O)NCCCC[P@@](=O)([O-])O)c1C ZINC001186476010 744400917 /nfs/dbraw/zinc/40/09/17/744400917.db2.gz XGYLDQPAXPUAOZ-UHFFFAOYSA-N -2 0 315.306 1.620 20 0 DDADRL O=S(=O)([O-])c1cccc([N-]S(=O)(=O)c2ccco2)c1 ZINC001186851757 744452790 /nfs/dbraw/zinc/45/27/90/744452790.db2.gz PSFQQASSRDWRQL-UHFFFAOYSA-N -2 0 303.317 1.327 20 0 DDADRL CN(CC(F)(F)F)C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189860439 745003551 /nfs/dbraw/zinc/00/35/51/745003551.db2.gz HKJWLXLZTUQMCJ-UHFFFAOYSA-N -2 0 313.168 1.792 20 0 DDADRL C[C@H]1C[C@@H](CO)N(C(=O)c2ccccc2OP(=O)([O-])[O-])C1 ZINC001189870194 745008468 /nfs/dbraw/zinc/00/84/68/745008468.db2.gz AXOMELWUDNVKGW-UWVGGRQHSA-N -2 0 315.262 1.001 20 0 DDADRL Cc1cc(C(=O)NCCCC[P@@](=O)([O-])O)nn1C1CCC1 ZINC001197438502 747163957 /nfs/dbraw/zinc/16/39/57/747163957.db2.gz GDZJVMWNHCBXFO-UHFFFAOYSA-N -2 0 315.310 1.604 20 0 DDADRL CN(C)c1ccncc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198738847 747585183 /nfs/dbraw/zinc/58/51/83/747585183.db2.gz FTSSQRAVEWPBAA-UHFFFAOYSA-N -2 0 321.358 1.647 20 0 DDADRL COc1nc(C)ncc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198740546 747586140 /nfs/dbraw/zinc/58/61/40/747586140.db2.gz JFHOOPRDENTECZ-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL Cc1cnn(C)c1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC001147060829 773031530 /nfs/dbraw/zinc/03/15/30/773031530.db2.gz YKLOGQBINOJOSX-UHFFFAOYSA-N -2 0 314.305 1.039 20 0 DDADRL CC(C)=CNc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001174555308 777518775 /nfs/dbraw/zinc/51/87/75/777518775.db2.gz DBJIQPJCXNUJNK-UHFFFAOYSA-N -2 0 307.349 1.516 20 0 DDADRL O=C([O-])CNS(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001329582358 863738995 /nfs/dbraw/zinc/73/89/95/863738995.db2.gz JZZJCTMTGAQCQE-UHFFFAOYSA-N -2 0 318.660 1.117 20 0 DDADRL COc1ccc(C(N)=O)cc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001205231324 871448528 /nfs/dbraw/zinc/44/85/28/871448528.db2.gz FJZRNWCCEMAVCO-UHFFFAOYSA-N -2 0 307.242 1.264 20 0 DDADRL C[C@H](COC(C)(C)C)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21 ZINC001226888877 882704351 /nfs/dbraw/zinc/70/43/51/882704351.db2.gz WOWPTWVPFVHQRM-ZCFIWIBFSA-N -2 0 310.310 1.119 20 0 DDADRL Cc1ccc(C(C)C)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001227944619 883247289 /nfs/dbraw/zinc/24/72/89/883247289.db2.gz CQTCCIWCIJBLPY-BXUZGUMPSA-N -2 0 324.329 1.560 20 0 DDADRL CC(=O)[N-]S(=O)(=O)c1ccc(-c2c(F)ccc(C)c2O)nc1 ZINC001236389270 889222136 /nfs/dbraw/zinc/22/21/36/889222136.db2.gz AREGZLHUWNQYFY-UHFFFAOYSA-N -2 0 324.333 1.727 20 0 DDADRL CCNC(=O)c1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cc1 ZINC001241617668 891224388 /nfs/dbraw/zinc/22/43/88/891224388.db2.gz BJJLAOOHYSPSFN-UHFFFAOYSA-N -2 0 305.270 1.906 20 0 DDADRL Nc1ncc(-c2ccc(P(=O)([O-])[O-])cc2)c(C(F)(F)F)n1 ZINC001241655481 891237318 /nfs/dbraw/zinc/23/73/18/891237318.db2.gz YSCKTRLZQOKCRM-UHFFFAOYSA-N -2 0 319.179 1.548 20 0 DDADRL COC(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nn1 ZINC001242159935 891354756 /nfs/dbraw/zinc/35/47/56/891354756.db2.gz YAMBMEMDCWNLJA-UHFFFAOYSA-N -2 0 302.242 1.327 20 0 DDADRL COC(=O)Cc1ncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001242161530 891355730 /nfs/dbraw/zinc/35/57/30/891355730.db2.gz YPKKAXDXXBNUQZ-UHFFFAOYSA-N -2 0 316.269 1.256 20 0 DDADRL COC(=O)Cc1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cc1 ZINC001243603782 891682648 /nfs/dbraw/zinc/68/26/48/891682648.db2.gz SZTQOUHFPBKPQW-UHFFFAOYSA-N -2 0 306.254 1.872 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnc3ccccn23)c1 ZINC001260184108 899076638 /nfs/dbraw/zinc/07/66/38/899076638.db2.gz SVNSXADRGAPBHV-UHFFFAOYSA-N -2 0 317.326 1.833 20 0 DDADRL Cc1nonc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260209575 899090996 /nfs/dbraw/zinc/09/09/96/899090996.db2.gz MSDMUWKTYFCBKO-UHFFFAOYSA-N -2 0 301.255 1.016 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ncccc2CCO)cc1 ZINC001260222729 899097666 /nfs/dbraw/zinc/09/76/66/899097666.db2.gz CARAQKBESCSEBR-UHFFFAOYSA-N -2 0 322.342 1.115 20 0 DDADRL CCc1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cn1 ZINC000446995527 529758965 /nfs/dbraw/zinc/75/89/65/529758965.db2.gz YSDAUPQXMNMXCZ-UHFFFAOYSA-N -2 0 307.331 1.538 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c[nH]1 ZINC000070418513 190888138 /nfs/dbraw/zinc/88/81/38/190888138.db2.gz AZGHENKKBJCSCW-UHFFFAOYSA-N -2 0 315.738 1.871 20 0 DDADRL O=C([O-])CNC(=O)c1ccc(Nc2cncc(C(=O)[O-])c2)cc1 ZINC000071703989 191009739 /nfs/dbraw/zinc/00/97/39/191009739.db2.gz DNPIVDHKQQXSGI-UHFFFAOYSA-N -2 0 315.285 1.338 20 0 DDADRL Cn1cnc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1Cl ZINC000040432751 183066183 /nfs/dbraw/zinc/06/61/83/183066183.db2.gz VKLRPPNTWYAFNP-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)cc1 ZINC000285127754 218301658 /nfs/dbraw/zinc/30/16/58/218301658.db2.gz PXGYGHHDMIGFKV-UHFFFAOYSA-N -2 0 321.358 1.718 20 0 DDADRL COc1cc(F)cc(-c2noc(=N[C@H](C(=O)[O-])C(C)C)[n-]2)c1 ZINC000629764889 422803897 /nfs/dbraw/zinc/80/38/97/422803897.db2.gz OEDZCECJUZDBAZ-NSHDSACASA-N -2 0 309.297 1.827 20 0 DDADRL COc1cc(F)cc(-c2noc(=NCCCCC(=O)[O-])[n-]2)c1 ZINC000629766759 422805444 /nfs/dbraw/zinc/80/54/44/422805444.db2.gz XLRIRGSIZAHTJI-UHFFFAOYSA-N -2 0 309.297 1.973 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)nnn1C ZINC000414417475 224335297 /nfs/dbraw/zinc/33/52/97/224335297.db2.gz XVJXOKOEVRRVQI-UHFFFAOYSA-N -2 0 324.362 1.239 20 0 DDADRL CC(C)Cn1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1 ZINC000266574366 407566713 /nfs/dbraw/zinc/56/67/13/407566713.db2.gz LRLOAHZLINYXQK-UHFFFAOYSA-N -2 0 312.351 1.366 20 0 DDADRL CCn1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cn1 ZINC000070156584 406808617 /nfs/dbraw/zinc/80/86/17/406808617.db2.gz ZHVPGEVPIAGGQG-UHFFFAOYSA-N -2 0 301.349 1.464 20 0 DDADRL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1F ZINC000136250826 408088528 /nfs/dbraw/zinc/08/85/28/408088528.db2.gz YOQDISFAJGDZIV-SNVBAGLBSA-N -2 0 307.318 1.742 20 0 DDADRL O=C([O-])C1(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)CC1 ZINC000166994310 408816794 /nfs/dbraw/zinc/81/67/94/408816794.db2.gz WOUIBXDOXGLQFW-UHFFFAOYSA-N -2 0 309.265 1.247 20 0 DDADRL Cc1c(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])cnn1C ZINC000313908656 164011593 /nfs/dbraw/zinc/01/15/93/164011593.db2.gz ABDBCFWUUWXPPM-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ncccc1O ZINC000338011632 409643494 /nfs/dbraw/zinc/64/34/94/409643494.db2.gz KXGVNDOFXVOUIE-UHFFFAOYSA-N -2 0 316.342 1.770 20 0 DDADRL Cc1ccc([N-]S(=O)(=O)c2cnc3n2CCC3)c(C(=O)[O-])c1 ZINC000361981857 418735083 /nfs/dbraw/zinc/73/50/83/418735083.db2.gz PGWUCYALGMGOIG-UHFFFAOYSA-N -2 0 321.358 1.637 20 0 DDADRL CCOC(=O)c1coc(=NCc2nc(C(F)(F)F)n[nH]2)[n-]1 ZINC000418922904 420019851 /nfs/dbraw/zinc/01/98/51/420019851.db2.gz LKNJTXIQJDAEMR-UHFFFAOYSA-N -2 0 305.216 1.022 20 0 DDADRL COCCc1nc(=N[C@H](CCC(C)(C)C)C(=O)[O-])s[n-]1 ZINC000416441299 420372979 /nfs/dbraw/zinc/37/29/79/420372979.db2.gz QMBPTJPKJZNOLT-SECBINFHSA-N -2 0 301.412 1.840 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)nn1C ZINC000439044061 420477318 /nfs/dbraw/zinc/47/73/18/420477318.db2.gz SGIOXFVJHBKEPQ-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL O=C([O-])[C@]1(CN=c2nc(C3CCCC3)[n-]s2)CCCOC1 ZINC000630462207 422115622 /nfs/dbraw/zinc/11/56/22/422115622.db2.gz ADWKQPJSDYDVSD-AWEZNQCLSA-N -2 0 311.407 1.911 20 0 DDADRL COC1(CS(=O)(=O)[N-]c2ccc(F)c(F)c2[O-])CCC1 ZINC000634793587 422648961 /nfs/dbraw/zinc/64/89/61/422648961.db2.gz QUCHQOGQEPWYQU-UHFFFAOYSA-N -2 0 307.318 1.981 20 0 DDADRL CO[C@@H](C)c1nc(=NC(=O)NC[C@H](C(=O)[O-])C(C)C)s[n-]1 ZINC000653546149 423520673 /nfs/dbraw/zinc/52/06/73/423520673.db2.gz ZIPXPYQOYQLHBD-YUMQZZPRSA-N -2 0 316.383 1.146 20 0 DDADRL CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1n[nH]c(-c2ccccn2)n1 ZINC000647117183 423760656 /nfs/dbraw/zinc/76/06/56/423760656.db2.gz BDTJVVLHKUQITD-BDAKNGLRSA-N -2 0 301.306 1.162 20 0 DDADRL Cc1onc(N)c1S(=O)(=O)[N-]c1ccc(C)cc1C(=O)[O-] ZINC000573054921 304572665 /nfs/dbraw/zinc/57/26/65/304572665.db2.gz OSRCEODIIQMHBV-UHFFFAOYSA-N -2 0 311.319 1.203 20 0 DDADRL C[C@](CNS(=O)(=O)CC1CCCCC1)(CC(=O)[O-])C(=O)[O-] ZINC000547616456 307741296 /nfs/dbraw/zinc/74/12/96/307741296.db2.gz ZLNNDYUIFIJNHK-CYBMUJFWSA-N -2 0 321.395 1.052 20 0 DDADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000663119751 484684203 /nfs/dbraw/zinc/68/42/03/484684203.db2.gz MSMUDSHHVUDGAA-BWACUDIHSA-N -2 0 317.341 1.917 20 0 DDADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000663140280 484698532 /nfs/dbraw/zinc/69/85/32/484698532.db2.gz YAKLAOCRDMDXSW-VIFPVBQESA-N -2 0 311.338 1.388 20 0 DDADRL CCC(CC)(CNC(=O)N=c1[n-]nc(C(F)F)s1)C(=O)[O-] ZINC000424472349 528672468 /nfs/dbraw/zinc/67/24/68/528672468.db2.gz OWIKUUXJIFYFRW-UHFFFAOYSA-N -2 0 322.337 1.910 20 0 DDADRL CC[C@H](C)[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC000820432324 598195673 /nfs/dbraw/zinc/19/56/73/598195673.db2.gz NCSRHIMZICDVJI-HZMBPMFUSA-N -2 0 307.346 1.933 20 0 DDADRL O=C([O-])[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000739545667 599729884 /nfs/dbraw/zinc/72/98/84/599729884.db2.gz ABWZOPBLKRKZHS-STQMWFEESA-N -2 0 321.354 1.140 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1F ZINC000738654486 599739500 /nfs/dbraw/zinc/73/95/00/599739500.db2.gz ANMFFDQNVVUEHW-UHFFFAOYSA-N -2 0 313.310 1.216 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-])cc1 ZINC000738652507 599797032 /nfs/dbraw/zinc/79/70/32/599797032.db2.gz MUIGNEIBJMMIJE-UHFFFAOYSA-N -2 0 317.388 1.008 20 0 DDADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(OCC(=O)[O-])cc2)NC(=S)N1 ZINC000736750294 599985779 /nfs/dbraw/zinc/98/57/79/599985779.db2.gz JGHOFNONXGTIMG-GFCCVEGCSA-N -2 0 322.342 1.027 20 0 DDADRL CCCCS(=O)(=O)[N-]C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737000092 600056110 /nfs/dbraw/zinc/05/61/10/600056110.db2.gz RYUKCXCZPMNSQQ-UHFFFAOYSA-N -2 0 300.336 1.636 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)[O-])c1 ZINC000738249681 600234852 /nfs/dbraw/zinc/23/48/52/600234852.db2.gz YCSUXZFECHBUOK-UHFFFAOYSA-N -2 0 314.298 1.748 20 0 DDADRL C[C@]([N-]S(=O)(=O)c1c(F)cccc1F)(C(=O)[O-])C1CC1 ZINC000036983589 600239419 /nfs/dbraw/zinc/23/94/19/600239419.db2.gz NXGGOHPZIFQGAQ-GFCCVEGCSA-N -2 0 305.302 1.496 20 0 DDADRL CCn1nccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000737311576 600243795 /nfs/dbraw/zinc/24/37/95/600243795.db2.gz AVFLFNBUPJWLTE-UHFFFAOYSA-N -2 0 309.347 1.331 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccccc2N(C)C)c1C(=O)[O-] ZINC000738338239 600424146 /nfs/dbraw/zinc/42/41/46/600424146.db2.gz QGYSHPOTHPWJSF-UHFFFAOYSA-N -2 0 324.362 1.283 20 0 DDADRL Cn1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000739062289 600424806 /nfs/dbraw/zinc/42/48/06/600424806.db2.gz AOSPZYLEKPNYMJ-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL CCCCS[C@@H](C)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000737001679 600462142 /nfs/dbraw/zinc/46/21/42/600462142.db2.gz XTPKFSTZJXNYTM-VIFPVBQESA-N -2 0 311.425 1.219 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000833228711 600947443 /nfs/dbraw/zinc/94/74/43/600947443.db2.gz WBXYCQFVXXPXAE-NEPJUHHUSA-N -2 0 317.407 1.514 20 0 DDADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2)C1 ZINC000833185853 601235089 /nfs/dbraw/zinc/23/50/89/601235089.db2.gz ZDBMTOZZMJJJPN-GHMZBOCLSA-N -2 0 311.359 1.383 20 0 DDADRL Cn1nccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000217669585 601358173 /nfs/dbraw/zinc/35/81/73/601358173.db2.gz KRGTZJKPOHOBMR-DAXSKMNVSA-N -2 0 307.331 1.319 20 0 DDADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)ccn1 ZINC000386374766 601359671 /nfs/dbraw/zinc/35/96/71/601359671.db2.gz PZRDVINOAPBTPH-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL O=C([O-])[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000833178163 601364866 /nfs/dbraw/zinc/36/48/66/601364866.db2.gz BOIRUMXJDAYWCK-BDAKNGLRSA-N -2 0 317.750 1.007 20 0 DDADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC(F)F)c1F ZINC000136564969 601388117 /nfs/dbraw/zinc/38/81/17/601388117.db2.gz QCLSQCHUYFYXCT-UHFFFAOYSA-N -2 0 301.217 1.206 20 0 DDADRL O=C([O-])C[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C1CC1 ZINC000833199143 601563808 /nfs/dbraw/zinc/56/38/08/601563808.db2.gz QFVRJGJMDJZRSJ-NSHDSACASA-N -2 0 317.301 1.013 20 0 DDADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000833345890 601603372 /nfs/dbraw/zinc/60/33/72/601603372.db2.gz BHQPEAWEYLJQTG-UHFFFAOYSA-N -2 0 302.308 1.781 20 0 DDADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)NCC(=O)[O-])n2)c1 ZINC000817986039 601755499 /nfs/dbraw/zinc/75/54/99/601755499.db2.gz PUQZLMOVRAPOLX-UHFFFAOYSA-N -2 0 303.318 1.516 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc2nccn2c1 ZINC000833346958 601769579 /nfs/dbraw/zinc/76/95/79/601769579.db2.gz XYORCPIRSGLFEJ-UHFFFAOYSA-N -2 0 324.343 1.290 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000833345348 602308974 /nfs/dbraw/zinc/30/89/74/602308974.db2.gz RDIXSGDRAZPVSL-UHFFFAOYSA-N -2 0 318.307 1.487 20 0 DDADRL Cc1cc([N-]C(=O)c2nc(C3(NC(=O)[O-])CCCC3)no2)no1 ZINC000740091606 602413406 /nfs/dbraw/zinc/41/34/06/602413406.db2.gz RTJGNCZGWHDQCI-UHFFFAOYSA-N -2 0 321.293 1.655 20 0 DDADRL CCS(=O)(=O)[N-]C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739518221 602686137 /nfs/dbraw/zinc/68/61/37/602686137.db2.gz PAVMMIHWLJTCTR-NSHDSACASA-N -2 0 314.363 1.241 20 0 DDADRL C[C@@H]1CN(C(=O)[O-])CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000739151750 602739166 /nfs/dbraw/zinc/73/91/66/602739166.db2.gz AHVGGEWMWPAJAY-MRVPVSSYSA-N -2 0 308.363 1.581 20 0 DDADRL CCC[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)CC(CC)CC ZINC000739320372 602748485 /nfs/dbraw/zinc/74/84/85/602748485.db2.gz OOMGGQFVJURNGD-SNVBAGLBSA-N -2 0 308.400 1.305 20 0 DDADRL CC(C)(CNC(=O)c1ccc2[n-]c(=S)oc2c1)NC(=O)[O-] ZINC000824001308 603869968 /nfs/dbraw/zinc/86/99/68/603869968.db2.gz DTAIHDHDDCRVAK-UHFFFAOYSA-N -2 0 309.347 1.893 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000826571880 604256906 /nfs/dbraw/zinc/25/69/06/604256906.db2.gz NVRWMXWLJWLONA-VIFPVBQESA-N -2 0 308.400 1.115 20 0 DDADRL C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833407851 604880666 /nfs/dbraw/zinc/88/06/66/604880666.db2.gz QSLPIGXGVFSCBS-ZCFIWIBFSA-N -2 0 321.738 1.132 20 0 DDADRL C[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1)C1CCCC1 ZINC000823701373 605273305 /nfs/dbraw/zinc/27/33/05/605273305.db2.gz DGAIRCOXSZTPCU-ONGXEEELSA-N -2 0 318.395 1.011 20 0 DDADRL O=C([O-])CC[C@H]1CCCN(C(=O)C[C@@H]2CCCN2C(=O)[O-])C1 ZINC000834060027 605309860 /nfs/dbraw/zinc/30/98/60/605309860.db2.gz MYVCPUIPAJCQBP-NEPJUHHUSA-N -2 0 312.366 1.622 20 0 DDADRL CC(C)CS(=O)(=O)[N-]C(=O)CC[C@@H]1CCCN1C(=O)[O-] ZINC000833796368 605496700 /nfs/dbraw/zinc/49/67/00/605496700.db2.gz DWKUBXLZJPQOLH-JTQLQIEISA-N -2 0 306.384 1.011 20 0 DDADRL O=C([O-])Nc1ccc(C(=O)N[C@@H]2CCc3[nH]cnc3C2)c(O)c1 ZINC000834257851 605960608 /nfs/dbraw/zinc/96/06/08/605960608.db2.gz QDDTXPNZHGPKNG-MRVPVSSYSA-N -2 0 316.317 1.493 20 0 DDADRL O=C([O-])Nc1cccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)c1 ZINC000834262554 605966114 /nfs/dbraw/zinc/96/61/14/605966114.db2.gz MIZVTZUNJQYSAM-JTQLQIEISA-N -2 0 316.321 1.309 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000834059909 606031146 /nfs/dbraw/zinc/03/11/46/606031146.db2.gz VHGSKEFIXRANBF-BJDJZHNGSA-N -2 0 310.350 1.231 20 0 DDADRL O=C([O-])NC1(C(=O)NCCc2ccc(C(=O)[O-])cc2)CCCC1 ZINC000834152364 606031452 /nfs/dbraw/zinc/03/14/52/606031452.db2.gz ZEIHKEZLYFENEF-UHFFFAOYSA-N -2 0 320.345 1.624 20 0 DDADRL O=C([O-])NC[C@@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000834209097 606031793 /nfs/dbraw/zinc/03/17/93/606031793.db2.gz CJXHKQXNOJJMOM-CHWSQXEVSA-N -2 0 320.345 1.361 20 0 DDADRL O=C([O-])CCCCCNC(=O)CC1CCN(C(=O)[O-])CC1 ZINC000834059178 606053841 /nfs/dbraw/zinc/05/38/41/606053841.db2.gz IBRHQCURAFDZCC-UHFFFAOYSA-N -2 0 300.355 1.528 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000834172213 606057916 /nfs/dbraw/zinc/05/79/16/606057916.db2.gz JGGSWESQENSTJX-NWDGAFQWSA-N -2 0 306.318 1.437 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)NCc2cccc(C(=O)[O-])c2)o1 ZINC000834248834 606057963 /nfs/dbraw/zinc/05/79/63/606057963.db2.gz JOTGYKMNTWWYTA-UHFFFAOYSA-N -2 0 318.285 1.675 20 0 DDADRL O=C([O-])[C@@H](CNC(=O)[C@H]1CCCN1C(=O)[O-])Cc1ccccc1 ZINC000834057511 606058376 /nfs/dbraw/zinc/05/83/76/606058376.db2.gz FISDFVSXMQAVCB-CHWSQXEVSA-N -2 0 320.345 1.189 20 0 DDADRL O=C([O-])NC1(CC(=O)NC2(C(=O)[O-])CCSCC2)CCC1 ZINC000834155172 606068837 /nfs/dbraw/zinc/06/88/37/606068837.db2.gz LBIPBRXWRUHCGD-UHFFFAOYSA-N -2 0 316.379 1.033 20 0 DDADRL O=C([O-])c1ccc(OCCNC(=O)[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000834283396 606113130 /nfs/dbraw/zinc/11/31/30/606113130.db2.gz OGIXGPLWUNBQIB-LBPRGKRZSA-N -2 0 322.317 1.022 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000863951908 706044874 /nfs/dbraw/zinc/04/48/74/706044874.db2.gz XBINHEOIFYMXQJ-SNVBAGLBSA-N -2 0 319.766 1.502 20 0 DDADRL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)c1 ZINC000863956124 706046175 /nfs/dbraw/zinc/04/61/75/706046175.db2.gz DJULOKNDXKHCRK-NSHDSACASA-N -2 0 315.322 1.050 20 0 DDADRL CC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000863958760 706046664 /nfs/dbraw/zinc/04/66/64/706046664.db2.gz JORYUVROCBMTFP-VIFPVBQESA-N -2 0 315.347 1.008 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)CCC1CCCC1 ZINC000863963225 706047362 /nfs/dbraw/zinc/04/73/62/706047362.db2.gz PGGMAQJOAXLQCC-NSHDSACASA-N -2 0 305.396 1.370 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC000910185418 709802245 /nfs/dbraw/zinc/80/22/45/709802245.db2.gz ZHVXSUOHANBXMB-SASUGWTJSA-N -2 0 323.370 1.628 20 0 DDADRL O=C([O-])C[C@H]1CCCCN1S(=O)(=O)c1cc([O-])cc(F)c1 ZINC000905186974 711962663 /nfs/dbraw/zinc/96/26/63/711962663.db2.gz HMSRMWJODUGZAI-SNVBAGLBSA-N -2 0 317.338 1.549 20 0 DDADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000906000467 712216760 /nfs/dbraw/zinc/21/67/60/712216760.db2.gz ZHDUFVOZAGPYDB-VHSXEESVSA-N -2 0 323.292 1.321 20 0 DDADRL O=C(C=C([O-])c1ccccc1Cl)NCCOP(=O)([O-])[O-] ZINC001185436899 744222659 /nfs/dbraw/zinc/22/26/59/744222659.db2.gz UCDOVLOKCAUVLV-UHFFFAOYSA-N -3 0 321.653 1.138 20 0 DDADRL O=c1cc(NS(=O)(=O)c2nccs2)[n-]n1-c1ccccc1 ZINC001187861488 744621795 /nfs/dbraw/zinc/62/17/95/744621795.db2.gz ZAWXWGKGLGHCAU-UHFFFAOYSA-N -2 0 322.371 1.835 20 0 DDADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cncs2)cc1 ZINC001192109561 745692011 /nfs/dbraw/zinc/69/20/11/745692011.db2.gz FPIDRRALFSQTIJ-UHFFFAOYSA-N -2 0 312.372 1.961 20 0 DDADRL O=C(NCCCC[P@](=O)([O-])O)c1c(F)cncc1Cl ZINC001195482450 746621662 /nfs/dbraw/zinc/62/16/62/746621662.db2.gz WMFNVHMRCSWORV-UHFFFAOYSA-N -2 0 310.649 1.562 20 0 DDADRL Cc1cc(F)ccc1NC(=S)NCCOP(=O)([O-])[O-] ZINC001196143622 746782499 /nfs/dbraw/zinc/78/24/99/746782499.db2.gz XATQLDHLWFAREH-UHFFFAOYSA-N -2 0 308.271 1.530 20 0 DDADRL COc1cc(NS(=O)(=O)c2ccccc2C(=O)[O-])cc(C)n1 ZINC001198746813 747589040 /nfs/dbraw/zinc/58/90/40/747589040.db2.gz MQIPADNDXZTETH-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2ccc(F)cc2)C1 ZINC000827897742 759413375 /nfs/dbraw/zinc/41/33/75/759413375.db2.gz FIADBIMDFZWUMF-PWSUYJOCSA-N -2 0 309.293 1.145 20 0 DDADRL CCOC(=O)/C=C/c1ccc(NCCOP(=O)([O-])[O-])nc1 ZINC001157790575 766654966 /nfs/dbraw/zinc/65/49/66/766654966.db2.gz AAMGTIRCNRHTDJ-GQCTYLIASA-N -2 0 316.250 1.179 20 0 DDADRL CCn1cc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])cn1 ZINC001148915717 773634574 /nfs/dbraw/zinc/63/45/74/773634574.db2.gz ZUFQTHLGCRGMFH-UHFFFAOYSA-N -2 0 311.319 1.108 20 0 DDADRL NC(=O)c1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001176237572 778088998 /nfs/dbraw/zinc/08/89/98/778088998.db2.gz JMRGKENEICZFBU-UHFFFAOYSA-N -2 0 300.270 1.926 20 0 DDADRL O=Nc1c(=O)[nH]c(=O)[nH]c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176240223 778091130 /nfs/dbraw/zinc/09/11/30/778091130.db2.gz ZJDRQWJCEZGIKH-UHFFFAOYSA-N -2 0 320.217 1.426 20 0 DDADRL O=C(NCc1nc(=O)o[n-]1)c1cc(Cl)c2ccccc2c1[O-] ZINC001116409281 780506883 /nfs/dbraw/zinc/50/68/83/780506883.db2.gz JTKRHQYFBGRCFI-UHFFFAOYSA-N -2 0 319.704 1.805 20 0 DDADRL C[C@H](CCOC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1ccccc1 ZINC001224995459 881630361 /nfs/dbraw/zinc/63/03/61/881630361.db2.gz SBPHMFADVANDHR-SCDSUCTJSA-N -2 0 324.329 1.260 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(Cl)nc2cccc(F)c21 ZINC001157786826 864138486 /nfs/dbraw/zinc/13/84/86/864138486.db2.gz BIQGFQUDPRLJAN-UHFFFAOYSA-N -2 0 321.632 1.944 20 0 DDADRL CS(=O)(=O)c1ccnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242160077 891354655 /nfs/dbraw/zinc/35/46/55/891354655.db2.gz BONBJJJIMWLSCH-UHFFFAOYSA-N -2 0 321.310 1.549 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnc3cnccn23)c1 ZINC001260184510 899078318 /nfs/dbraw/zinc/07/83/18/899078318.db2.gz OPYLWXFFGQXNBR-UHFFFAOYSA-N -2 0 318.314 1.228 20 0 DDADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H](CC)C(=O)[O-])n1 ZINC000564966097 304030629 /nfs/dbraw/zinc/03/06/29/304030629.db2.gz BPMQDRKUUKVLQK-LLVKDONJSA-N -2 0 317.345 1.733 20 0 DDADRL O=C([O-])C[C@@H](NS(=O)(=O)c1cccc2ccccc21)C(=O)[O-] ZINC000138589870 354122936 /nfs/dbraw/zinc/12/29/36/354122936.db2.gz LOKBWWCQPNFHHO-LLVKDONJSA-N -2 0 323.326 1.046 20 0 DDADRL O=C([O-])CSCC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000596003058 356743438 /nfs/dbraw/zinc/74/34/38/356743438.db2.gz ONQSEQAVIINOJG-CYBMUJFWSA-N -2 0 309.343 1.015 20 0 DDADRL C[C@H]1CN(C(=O)NCc2cccc(C(=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC000626767722 367734875 /nfs/dbraw/zinc/73/48/75/367734875.db2.gz SKHBMLUHGXDNKR-GXFFZTMASA-N -2 0 320.345 1.637 20 0 DDADRL CC(C)C[C@H](CNC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)C(=O)[O-] ZINC000626769768 367735986 /nfs/dbraw/zinc/73/59/86/367735986.db2.gz RHQXHLNBRYLEOU-IJLUTSLNSA-N -2 0 314.382 1.486 20 0 DDADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000339415158 250466307 /nfs/dbraw/zinc/46/63/07/250466307.db2.gz DFJDISBXWATQDH-UHFFFAOYSA-N -2 0 315.282 1.056 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cn1C ZINC000071171213 406833955 /nfs/dbraw/zinc/83/39/55/406833955.db2.gz FITNTCCJLXIDKG-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CCCC[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000035085578 406966246 /nfs/dbraw/zinc/96/62/46/406966246.db2.gz LZHVCRUOEYEOLA-JTQLQIEISA-N -2 0 307.318 1.887 20 0 DDADRL CC[C@H](C)CONC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000293883957 409200965 /nfs/dbraw/zinc/20/09/65/409200965.db2.gz ZGBLXKVPPWUEHL-ZETCQYMHSA-N -2 0 306.322 1.452 20 0 DDADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000315818612 164021093 /nfs/dbraw/zinc/02/10/93/164021093.db2.gz WVBHKZVIEYSSOP-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000297098479 409801520 /nfs/dbraw/zinc/80/15/20/409801520.db2.gz YVBYGTUZTGDCHJ-RXMQYKEDSA-N -2 0 319.726 1.018 20 0 DDADRL Cc1cc(C(=O)Nc2cccc(O)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000439157986 420483513 /nfs/dbraw/zinc/48/35/13/420483513.db2.gz UQSFFIUSCZQZRI-UHFFFAOYSA-N -2 0 312.285 1.702 20 0 DDADRL C[C@@H](CC(C)(C)[N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000547639659 421349055 /nfs/dbraw/zinc/34/90/55/421349055.db2.gz NVUIRRKCMIDTIH-BQBZGAKWSA-N -2 0 305.318 1.746 20 0 DDADRL COCc1nc(=NCCOc2ccc(C(=O)[O-])cc2)s[n-]1 ZINC000571451008 421717018 /nfs/dbraw/zinc/71/70/18/421717018.db2.gz XUKZJIRNVZKQSD-UHFFFAOYSA-N -2 0 309.347 1.296 20 0 DDADRL O=C(N=c1nc(C2CCOCC2)[n-]s1)c1ccc([O-])c(F)c1 ZINC000629102592 422476955 /nfs/dbraw/zinc/47/69/55/422476955.db2.gz CRFGSQBSWJDTLY-UHFFFAOYSA-N -2 0 323.349 1.951 20 0 DDADRL O=C([O-])c1ccc(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000646161500 423371695 /nfs/dbraw/zinc/37/16/95/423371695.db2.gz GWFKPMOZWQREDQ-NEPJUHHUSA-N -2 0 306.318 1.437 20 0 DDADRL CC(C)[C@H](CNC(=O)N=c1nc(C(C)(C)C)[n-]s1)C(=O)[O-] ZINC000653537837 423518368 /nfs/dbraw/zinc/51/83/68/423518368.db2.gz IDRLGMXNEDHEGC-QMMMGPOBSA-N -2 0 314.411 1.736 20 0 DDADRL Cc1cc(S(=O)(=O)NC[C@@H]2CCOC2(C)C)oc1C(=O)[O-] ZINC000663431619 423822019 /nfs/dbraw/zinc/82/20/19/423822019.db2.gz MNNWUDRFBNQGIB-VIFPVBQESA-N -2 0 317.363 1.380 20 0 DDADRL C[C@@H](NC(=O)NCCCC(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655879505 424689596 /nfs/dbraw/zinc/68/95/96/424689596.db2.gz NXCFDWRLUCGVRA-KXUCPTDWSA-N -2 0 300.355 1.286 20 0 DDADRL Cn1ncc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1C(=O)[O-] ZINC000536686526 303368587 /nfs/dbraw/zinc/36/85/87/303368587.db2.gz BCCLHPJZNSXSPD-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL CCn1cncc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000547869289 303556943 /nfs/dbraw/zinc/55/69/43/303556943.db2.gz FINDRRVWQYZCBP-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL CCS(=O)(=O)[N-][C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000584589099 337370272 /nfs/dbraw/zinc/37/02/72/337370272.db2.gz YCXGAEGZQNOPNH-SECBINFHSA-N -2 0 311.281 1.928 20 0 DDADRL O=C([O-])CN(C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C1CCC1 ZINC000656232441 484038352 /nfs/dbraw/zinc/03/83/52/484038352.db2.gz SNMFGWQVJOSMEQ-UHFFFAOYSA-N -2 0 317.301 1.109 20 0 DDADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C2(C(=O)[O-])CCCCCC2)C1 ZINC000663056309 484632136 /nfs/dbraw/zinc/63/21/36/484632136.db2.gz MHXQFBVUCZHLKT-RYUDHWBXSA-N -2 0 311.378 1.981 20 0 DDADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000663134334 484694376 /nfs/dbraw/zinc/69/43/76/484694376.db2.gz ZHVXLAAWMUFNJJ-YVEFUNNKSA-N -2 0 317.341 1.698 20 0 DDADRL CC(C)C[C@H](CNC(=O)c1ccc(C(=O)[O-])cn1)CC(=O)[O-] ZINC000663139654 484698005 /nfs/dbraw/zinc/69/80/05/484698005.db2.gz MBGAYVGKGWLFQL-JTQLQIEISA-N -2 0 308.334 1.647 20 0 DDADRL CCC(CC)(CNC(=O)N=c1[n-]nc2ccccn21)C(=O)[O-] ZINC000424387877 528672244 /nfs/dbraw/zinc/67/22/44/528672244.db2.gz XXZKFGJPEKXMQQ-UHFFFAOYSA-N -2 0 305.338 1.164 20 0 DDADRL O=C([O-])c1ccc(CNC(=O)c2n[n-]c3ccccc3c2=O)cc1 ZINC000238140507 597147826 /nfs/dbraw/zinc/14/78/26/597147826.db2.gz YMJWABJYNZGQKI-UHFFFAOYSA-N -2 0 323.308 1.551 20 0 DDADRL COc1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000738142851 600103839 /nfs/dbraw/zinc/10/38/39/600103839.db2.gz NRQUDIVFDPNMBL-UHFFFAOYSA-N -2 0 314.344 1.651 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCc2ccccc21 ZINC000739695856 600466291 /nfs/dbraw/zinc/46/62/91/600466291.db2.gz RISTYEMTFPIXRL-GFCCVEGCSA-N -2 0 311.359 1.027 20 0 DDADRL COC(=O)c1cc(NC(=O)CC(C)(C)C(=O)[O-])ccc1C(=O)[O-] ZINC000831264718 600669605 /nfs/dbraw/zinc/66/96/05/600669605.db2.gz NCNHHAUVKPKHOL-UHFFFAOYSA-N -2 0 323.301 1.611 20 0 DDADRL Cc1cc(C)cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000035651668 600672727 /nfs/dbraw/zinc/67/27/27/600672727.db2.gz XGJOMIJLMQAFQJ-UHFFFAOYSA-N -2 0 309.347 1.385 20 0 DDADRL CN(C)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000315368834 600828995 /nfs/dbraw/zinc/82/89/95/600828995.db2.gz CJWMCLMBYYZVLH-UHFFFAOYSA-N -2 0 323.374 1.590 20 0 DDADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])C1CC1 ZINC000826008196 601206677 /nfs/dbraw/zinc/20/66/77/601206677.db2.gz GGWNOFRMYAGYQB-ZCFIWIBFSA-N -2 0 303.361 1.297 20 0 DDADRL COc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000832659703 601231995 /nfs/dbraw/zinc/23/19/95/601231995.db2.gz LBZSTZDHGKSULQ-UHFFFAOYSA-N -2 0 312.303 1.491 20 0 DDADRL O=C([O-])[C@@H](NC(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1)C1CC1 ZINC000833126175 601757958 /nfs/dbraw/zinc/75/79/58/601757958.db2.gz ZFZNGWPEQOIJDC-JTQLQIEISA-N -2 0 319.342 1.217 20 0 DDADRL O=C([O-])[C@@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])C1CC1 ZINC000833125823 601758057 /nfs/dbraw/zinc/75/80/57/601758057.db2.gz SKPBHTRUMJBNIA-LBPRGKRZSA-N -2 0 301.302 1.171 20 0 DDADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1cnoc1 ZINC000833344947 601840521 /nfs/dbraw/zinc/84/05/21/601840521.db2.gz NDXIHLXPZHOKHG-UHFFFAOYSA-N -2 0 303.683 1.222 20 0 DDADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1nccs1 ZINC000833294097 601847725 /nfs/dbraw/zinc/84/77/25/601847725.db2.gz MMZSXGIKVVRWPD-UHFFFAOYSA-N -2 0 302.308 1.781 20 0 DDADRL Cn1nccc1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(=O)[O-] ZINC000740305365 601999358 /nfs/dbraw/zinc/99/93/58/601999358.db2.gz SGGKJDCTCUVVGW-UHFFFAOYSA-N -2 0 322.346 1.261 20 0 DDADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)nc2)c1 ZINC000165833956 602156190 /nfs/dbraw/zinc/15/61/90/602156190.db2.gz JDCLZHPUTCWJQU-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL COc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000832424931 602309955 /nfs/dbraw/zinc/30/99/55/602309955.db2.gz LKNDZQSGDGKLEA-UHFFFAOYSA-N -2 0 313.287 1.493 20 0 DDADRL CCN(CC(=O)[N-]S(=O)(=O)CC1CCCCC1)C(=O)[O-] ZINC000739395308 602866051 /nfs/dbraw/zinc/86/60/51/602866051.db2.gz LWDZBVZMHNENTO-UHFFFAOYSA-N -2 0 306.384 1.013 20 0 DDADRL O=C([O-])N1CC[C@H](C(=O)[N-]S(=O)(=O)CC2CCCCC2)C1 ZINC000740456405 602962213 /nfs/dbraw/zinc/96/22/13/602962213.db2.gz IOLWLBOOIWWXOL-NSHDSACASA-N -2 0 318.395 1.013 20 0 DDADRL O=C([O-])NC[C@@H]1CCCN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000832568412 603119522 /nfs/dbraw/zinc/11/95/22/603119522.db2.gz RLHSRVJTCZSBDK-VIFPVBQESA-N -2 0 316.317 1.208 20 0 DDADRL CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000826793797 604370206 /nfs/dbraw/zinc/37/02/06/604370206.db2.gz SDAVXIPQGBPATD-GHMZBOCLSA-N -2 0 300.355 1.382 20 0 DDADRL O=C([O-])[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccsc2)C1 ZINC000833184823 604413453 /nfs/dbraw/zinc/41/34/53/604413453.db2.gz UOJPEBRQOFPKMV-BDAKNGLRSA-N -2 0 317.388 1.444 20 0 DDADRL C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833605545 605118893 /nfs/dbraw/zinc/11/88/93/605118893.db2.gz QBKITNJPELONOE-MUWHJKNJSA-N -2 0 317.750 1.499 20 0 DDADRL Cc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000830708457 605133647 /nfs/dbraw/zinc/13/36/47/605133647.db2.gz ALANTGSDCQRNAC-VIFPVBQESA-N -2 0 308.338 1.096 20 0 DDADRL C[C@H](CN(Cc1ccccc1)C(=O)CCNC(=O)[O-])C(=O)[O-] ZINC000824902981 605155434 /nfs/dbraw/zinc/15/54/34/605155434.db2.gz SGYKZBUNABPMJR-LLVKDONJSA-N -2 0 308.334 1.394 20 0 DDADRL O=C([O-])N1CC[C@@H](S(=O)(=O)[N-]C(=O)C2CCCCCC2)C1 ZINC000831747042 605277108 /nfs/dbraw/zinc/27/71/08/605277108.db2.gz DCXUWBIBECRPDW-LLVKDONJSA-N -2 0 318.395 1.155 20 0 DDADRL Cc1noc(C)c1CSCC(=O)[N-]OC[C@@H](C)NC(=O)[O-] ZINC000833931342 605401215 /nfs/dbraw/zinc/40/12/15/605401215.db2.gz BXZGWQYMJBKHRK-SSDOTTSWSA-N -2 0 317.367 1.229 20 0 DDADRL O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000831742732 605684412 /nfs/dbraw/zinc/68/44/12/605684412.db2.gz OYQAUSJFYNJVGG-ZIAGYGMSSA-N -2 0 320.345 1.838 20 0 DDADRL O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CC1CN(C(=O)[O-])C1 ZINC000834058450 606030989 /nfs/dbraw/zinc/03/09/89/606030989.db2.gz NCQYYTPVEOIQGH-UTUOFQBUSA-N -2 0 310.350 1.231 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000834247435 606065450 /nfs/dbraw/zinc/06/54/50/606065450.db2.gz WOPMACPPVGPVOL-CQSZACIVSA-N -2 0 310.281 1.093 20 0 DDADRL CCCCC[C@H](NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)C(=O)[O-] ZINC000833852677 606067736 /nfs/dbraw/zinc/06/77/36/606067736.db2.gz INTFBKDMVPWJDV-AXFHLTTASA-N -2 0 300.355 1.572 20 0 DDADRL O=C(NNc1ccc(Cl)nn1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000163808639 697334842 /nfs/dbraw/zinc/33/48/42/697334842.db2.gz PGYADYNRCTUNTJ-UHFFFAOYSA-N -2 0 309.669 1.501 20 0 DDADRL N#Cc1ncccc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000236464138 697796068 /nfs/dbraw/zinc/79/60/68/697796068.db2.gz TZIFVJVGRHYVOE-UHFFFAOYSA-N -2 0 303.299 1.452 20 0 DDADRL Cc1cc(C(=O)NOCCC2CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000817437259 702380142 /nfs/dbraw/zinc/38/01/42/702380142.db2.gz JFBKPOLCPWGAPC-UHFFFAOYSA-N -2 0 304.306 1.206 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccnc1 ZINC000871996468 707274130 /nfs/dbraw/zinc/27/41/30/707274130.db2.gz RBHKRIXIVJDGSD-SVRRBLITSA-N -2 0 312.269 1.078 20 0 DDADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)CCC1 ZINC000863952058 706044550 /nfs/dbraw/zinc/04/45/50/706044550.db2.gz ZQJLDWAPUWWHCD-UHFFFAOYSA-N -2 0 317.750 1.400 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000863953262 706045567 /nfs/dbraw/zinc/04/55/67/706045567.db2.gz QQAJRRJJGVBWPR-BCPZQOPPSA-N -2 0 311.359 1.460 20 0 DDADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)Cc2cccc(F)c2)CCC1 ZINC000863958893 706046468 /nfs/dbraw/zinc/04/64/68/706046468.db2.gz MTKXSNXUYVFEOK-UHFFFAOYSA-N -2 0 315.322 1.027 20 0 DDADRL C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccccc1 ZINC000910183055 709801052 /nfs/dbraw/zinc/80/10/52/709801052.db2.gz KQRDGWZTSDWYEW-DRZSPHRISA-N -2 0 305.330 1.567 20 0 DDADRL CC(C)(C)C1CC(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])C1 ZINC000910184405 709801449 /nfs/dbraw/zinc/80/14/49/709801449.db2.gz QLBDITLZGOHIFY-XKGSQUFQSA-N -2 0 311.378 1.835 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CSc1ccccc1 ZINC000910186588 709802346 /nfs/dbraw/zinc/80/23/46/709802346.db2.gz SANOHICSAHWDSD-CMPLNLGQSA-N -2 0 323.370 1.555 20 0 DDADRL CCc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC000910186616 709802679 /nfs/dbraw/zinc/80/26/79/709802679.db2.gz SLFJPWBGFNQPLM-CHWSQXEVSA-N -2 0 305.330 1.639 20 0 DDADRL CCc1ccc(CC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC000910189318 709804245 /nfs/dbraw/zinc/80/42/45/709804245.db2.gz SBKAYURREPYZIR-ZIAGYGMSSA-N -2 0 319.357 1.568 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@H]2Cc3ccccc32)C1 ZINC000910192453 709805506 /nfs/dbraw/zinc/80/55/06/709805506.db2.gz QJERJRAMEONPOE-WXHSDQCUSA-N -2 0 303.314 1.103 20 0 DDADRL O=C([O-])[C@@H](CN=c1nn[n-]n1Cc1ccccc1)CC1CC1 ZINC000910418603 709930886 /nfs/dbraw/zinc/93/08/86/709930886.db2.gz GITSVAUZHMQEQF-CYBMUJFWSA-N -2 0 301.350 1.056 20 0 DDADRL C[C@H](C(=O)[O-])C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC000902822550 710916678 /nfs/dbraw/zinc/91/66/78/710916678.db2.gz XMDHKBDWHQZHGO-WDEREUQCSA-N -2 0 305.330 1.777 20 0 DDADRL C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000906788714 712411809 /nfs/dbraw/zinc/41/18/09/712411809.db2.gz LWSPNCYNAKJFII-GFCCVEGCSA-N -2 0 319.766 1.673 20 0 DDADRL CC[C@H](C)[C@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)C(=O)[O-] ZINC000917717720 713511175 /nfs/dbraw/zinc/51/11/75/713511175.db2.gz WRWLKXBTHIQAGT-RCOVLWMOSA-N -2 0 321.376 1.224 20 0 DDADRL Nc1ccc(F)cc1S(=O)(=O)[N-]c1ccsc1C(=O)[O-] ZINC001215397887 739236535 /nfs/dbraw/zinc/23/65/35/739236535.db2.gz RHWKLMSGVGHGPS-UHFFFAOYSA-N -2 0 316.335 1.968 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])C1(CC2CCC2)CCOCC1 ZINC001185215969 744182061 /nfs/dbraw/zinc/18/20/61/744182061.db2.gz CIEGOUYNDKPNAE-UHFFFAOYSA-N -2 0 321.310 1.199 20 0 DDADRL COc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)no1 ZINC001186143294 744350075 /nfs/dbraw/zinc/35/00/75/744350075.db2.gz MVNGSTLGRISEBC-UHFFFAOYSA-N -2 0 316.266 1.321 20 0 DDADRL CCS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)CC2CC2)c1 ZINC001188926900 744788307 /nfs/dbraw/zinc/78/83/07/744788307.db2.gz MSLVKECBIQLCSP-UHFFFAOYSA-N -2 0 319.404 1.338 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cc2ccc(Cl)nc2[nH]1 ZINC001151758555 744862585 /nfs/dbraw/zinc/86/25/85/744862585.db2.gz KHQBCVBRSSDYNE-UHFFFAOYSA-N -2 0 319.641 1.055 20 0 DDADRL C[C@H]1CN(C(=O)c2ccccc2OP(=O)([O-])[O-])CCCO1 ZINC001189860205 745003526 /nfs/dbraw/zinc/00/35/26/745003526.db2.gz BKZQFTGUQQMISP-JTQLQIEISA-N -2 0 315.262 1.409 20 0 DDADRL Cc1ncn(C)c1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189872007 745008429 /nfs/dbraw/zinc/00/84/29/745008429.db2.gz RKESEBZAFCBPKK-UHFFFAOYSA-N -2 0 311.234 1.452 20 0 DDADRL CSc1ncc2c(ccnc2NCCOP(=O)([O-])[O-])n1 ZINC001168589389 751200791 /nfs/dbraw/zinc/20/07/91/751200791.db2.gz JAOSIEOKTIFUID-UHFFFAOYSA-N -2 0 316.279 1.268 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cc2c(ccnc2Cl)[nH]1 ZINC001174601732 777537506 /nfs/dbraw/zinc/53/75/06/777537506.db2.gz TUJRXGBPAXCAIB-UHFFFAOYSA-N -2 0 319.641 1.055 20 0 DDADRL O=C([O-])C[C@H](C(=O)Oc1ccc2ccccc2c1)[C@@H](O)C(=O)[O-] ZINC001225267322 881753067 /nfs/dbraw/zinc/75/30/67/881753067.db2.gz KGRUWWWASXCKNY-GXTWGEPZSA-N -2 0 318.281 1.282 20 0 DDADRL CCc1cccc(CC)c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001226176980 882253326 /nfs/dbraw/zinc/25/33/26/882253326.db2.gz JUQHXFMCQREHTJ-LLVKDONJSA-N -2 0 318.262 1.187 20 0 DDADRL O=C(NCCCCCO)c1ccccc1OP(=O)([O-])[O-] ZINC001221288623 879654495 /nfs/dbraw/zinc/65/44/95/879654495.db2.gz HFHMMZQQJIPIJC-UHFFFAOYSA-N -2 0 303.251 1.051 20 0 DDADRL C[S@](=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1 ZINC001242163014 891357016 /nfs/dbraw/zinc/35/70/16/891357016.db2.gz OPXGNWKZIMKOND-NRFANRHFSA-N -2 0 305.311 1.882 20 0 DDADRL CN(C)C(=O)c1cncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242163316 891357159 /nfs/dbraw/zinc/35/71/59/891357159.db2.gz TXTOUTSDVJPUMV-UHFFFAOYSA-N -2 0 314.297 1.847 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccn3cnnc3c2)c1 ZINC001260183975 899075794 /nfs/dbraw/zinc/07/57/94/899075794.db2.gz LNHIPNHYOSYHKN-UHFFFAOYSA-N -2 0 318.314 1.228 20 0 DDADRL Cc1cc(C(=O)NC2(C)CCCCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000174208391 198306240 /nfs/dbraw/zinc/30/62/40/198306240.db2.gz DVOIJUIRVWYNDQ-UHFFFAOYSA-N -2 0 316.361 1.785 20 0 DDADRL O=C([O-])C1CCC(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1 ZINC000263478026 304038708 /nfs/dbraw/zinc/03/87/08/304038708.db2.gz NDYYDIOGZHEPJF-FHXOHEKPSA-N -2 0 324.377 1.526 20 0 DDADRL O=C([O-])CCCCCNC(=O)N=c1[n-]nc(C(F)F)s1 ZINC000417762826 304047064 /nfs/dbraw/zinc/04/70/64/304047064.db2.gz UQDIWUCUKGTDLP-UHFFFAOYSA-N -2 0 308.310 1.664 20 0 DDADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2ccco2)cc1 ZINC000349011804 283804338 /nfs/dbraw/zinc/80/43/38/283804338.db2.gz VJULZAYSZQYHFR-UHFFFAOYSA-N -2 0 311.315 1.934 20 0 DDADRL Cn1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])n1 ZINC000351332596 284318215 /nfs/dbraw/zinc/31/82/15/284318215.db2.gz AKPDOMRGVWKDPK-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL COC(C)(C)CS(=O)(=O)[N-]c1cc(C(C)=O)ccc1[O-] ZINC000414379172 224328739 /nfs/dbraw/zinc/32/87/39/224328739.db2.gz FWZZCVYGZBTYTL-UHFFFAOYSA-N -2 0 301.364 1.762 20 0 DDADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000049566519 407123336 /nfs/dbraw/zinc/12/33/36/407123336.db2.gz WVOOHORPYOVFLK-UHFFFAOYSA-N -2 0 314.294 1.661 20 0 DDADRL Cc1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)c(F)cc1F ZINC000261716275 407590557 /nfs/dbraw/zinc/59/05/57/407590557.db2.gz QGLYCVIZBPXRFT-LLVKDONJSA-N -2 0 307.318 1.661 20 0 DDADRL CCc1ccc(S(=O)(=O)[N-]c2cc(C)n(C)n2)cc1C(=O)[O-] ZINC000137703268 408162537 /nfs/dbraw/zinc/16/25/37/408162537.db2.gz JCCYSZGQUNTXLN-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL Cc1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1 ZINC000172601148 162286043 /nfs/dbraw/zinc/28/60/43/162286043.db2.gz JALHYNZOJLKOEF-UHFFFAOYSA-N -2 0 310.313 1.893 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cncnc1 ZINC000231773270 163351340 /nfs/dbraw/zinc/35/13/40/163351340.db2.gz RGTNDUXJSLIUOY-UHFFFAOYSA-N -2 0 307.331 1.538 20 0 DDADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1c[nH]cn1)CCCC2 ZINC000337874486 409530676 /nfs/dbraw/zinc/53/06/76/409530676.db2.gz TWMVSVKMXBAZIF-UHFFFAOYSA-N -2 0 321.358 1.788 20 0 DDADRL Cc1nc(=NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)s[n-]1 ZINC000332252739 410015944 /nfs/dbraw/zinc/01/59/44/410015944.db2.gz SPJVRBDTAFWKTM-UHFFFAOYSA-N -2 0 305.359 1.940 20 0 DDADRL Cc1nc(=NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])s[n-]1 ZINC000339903246 410545029 /nfs/dbraw/zinc/54/50/29/410545029.db2.gz PULPFVHXFCWNKD-UHFFFAOYSA-N -2 0 319.321 1.551 20 0 DDADRL COc1cccc(C(=O)N=c2nc([C@H](C)OC)[n-]s2)c1[O-] ZINC000436586826 420342873 /nfs/dbraw/zinc/34/28/73/420342873.db2.gz VBGDHTOQQRLAAP-ZETCQYMHSA-N -2 0 309.347 1.634 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C ZINC000547935652 421379818 /nfs/dbraw/zinc/37/98/18/421379818.db2.gz LTWJEOQFICOWKV-RNFRBKRXSA-N -2 0 305.318 1.746 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(C)cc1C ZINC000548538173 421448296 /nfs/dbraw/zinc/44/82/96/421448296.db2.gz SMJQTZIVZUYALK-UHFFFAOYSA-N -2 0 309.347 1.834 20 0 DDADRL C[C@@H]1C[C@@H](NS(=O)(=O)c2scnc2C(=O)[O-])C[C@H](C)O1 ZINC000563071050 421450732 /nfs/dbraw/zinc/45/07/32/421450732.db2.gz SADRMLVJTRQVOM-RNLVFQAGSA-N -2 0 320.392 1.076 20 0 DDADRL C[C@@H]1CN(S(=O)(=O)c2cc([O-])cc(F)c2)CC[C@H]1C(=O)[O-] ZINC000630447564 422109136 /nfs/dbraw/zinc/10/91/36/422109136.db2.gz SMLBDTHXNIDBHX-PRHODGIISA-N -2 0 317.338 1.263 20 0 DDADRL CC1(C(=O)[O-])CCN(C(=O)NCCCCCC(=O)[O-])CC1 ZINC000646162063 423374081 /nfs/dbraw/zinc/37/40/81/423374081.db2.gz JIMFIVDWEDPABC-UHFFFAOYSA-N -2 0 300.355 1.528 20 0 DDADRL CC(C)Oc1ccc(=NC(=O)NC[C@H](C(=O)[O-])C(C)C)[n-]n1 ZINC000653543728 423520708 /nfs/dbraw/zinc/52/07/08/423520708.db2.gz XOHSWQXGYHYVBV-JTQLQIEISA-N -2 0 310.354 1.164 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000659410450 423812348 /nfs/dbraw/zinc/81/23/48/423812348.db2.gz WCVNPMGGCYSMKQ-NWDGAFQWSA-N -2 0 312.366 1.526 20 0 DDADRL COCc1nc(=NC(=O)c2c[n-]c3ccccc3c2=O)s[n-]1 ZINC000346051588 272398896 /nfs/dbraw/zinc/39/88/96/272398896.db2.gz BHUJSNIRKFBIFP-UHFFFAOYSA-N -2 0 316.342 1.200 20 0 DDADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1 ZINC000125483653 281209953 /nfs/dbraw/zinc/20/99/53/281209953.db2.gz XNYFZQJRFOYNEE-VIFPVBQESA-N -2 0 309.347 1.789 20 0 DDADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1 ZINC000125483858 281209965 /nfs/dbraw/zinc/20/99/65/281209965.db2.gz XNYFZQJRFOYNEE-SECBINFHSA-N -2 0 309.347 1.789 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cncnc2)c(C)c1C(=O)[O-] ZINC000362217532 300029995 /nfs/dbraw/zinc/02/99/95/300029995.db2.gz KALLDCRHJWBNSX-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL C[C@](CNC(=O)[C@@]1(C(=O)[O-])CC1(C)C)(C(=O)[O-])c1ccccc1 ZINC000663121023 484685224 /nfs/dbraw/zinc/68/52/24/484685224.db2.gz WCLSCXWHMXDGIO-IAGOWNOFSA-N -2 0 319.357 1.646 20 0 DDADRL O=C([O-])COc1cccc(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)c1 ZINC000663159867 484712301 /nfs/dbraw/zinc/71/23/01/484712301.db2.gz ZHCNIWAIYALFRI-CYBMUJFWSA-N -2 0 321.329 1.381 20 0 DDADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)c1 ZINC000821549524 598148887 /nfs/dbraw/zinc/14/88/87/598148887.db2.gz JWYKLCATOMVQKC-UHFFFAOYSA-N -2 0 311.359 1.777 20 0 DDADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC000739919600 599739449 /nfs/dbraw/zinc/73/94/49/599739449.db2.gz BMLLIVGFUFFWMX-UHFFFAOYSA-N -2 0 317.273 1.047 20 0 DDADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(CCC(=O)[O-])cc1 ZINC000317063963 599852536 /nfs/dbraw/zinc/85/25/36/599852536.db2.gz XRDNZXTVZLILCB-UHFFFAOYSA-N -2 0 323.374 1.845 20 0 DDADRL COc1cccnc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000738142425 600103811 /nfs/dbraw/zinc/10/38/11/600103811.db2.gz HMDVDHYGEMWTIA-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2C)c1C(=O)[O-] ZINC000738632905 600229277 /nfs/dbraw/zinc/22/92/77/600229277.db2.gz PJWLDVMODRRLQA-UHFFFAOYSA-N -2 0 309.347 1.834 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2F)c1C(=O)[O-] ZINC000738632766 600229338 /nfs/dbraw/zinc/22/93/38/600229338.db2.gz LWMAKKCEDDCOCM-UHFFFAOYSA-N -2 0 313.310 1.665 20 0 DDADRL C[C@]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)(C(=O)[O-])C1CC1 ZINC000037908966 600239916 /nfs/dbraw/zinc/23/99/16/600239916.db2.gz BXHTUDSMWNLDFB-GFCCVEGCSA-N -2 0 323.292 1.636 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)o1 ZINC000740315310 600258989 /nfs/dbraw/zinc/25/89/89/600258989.db2.gz FLHXEWCDFURLGL-UHFFFAOYSA-N -2 0 322.298 1.273 20 0 DDADRL CCC/C=C\C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736974089 600273499 /nfs/dbraw/zinc/27/34/99/600273499.db2.gz LLAOUUDWXXCYQR-PLNGDYQASA-N -2 0 311.359 1.687 20 0 DDADRL Cc1ccnc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000738799062 600360320 /nfs/dbraw/zinc/36/03/20/600360320.db2.gz ZJKRXPNFCGUYIE-UHFFFAOYSA-N -2 0 320.326 1.207 20 0 DDADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2cccc(F)c2F)cn1 ZINC000739911621 600530171 /nfs/dbraw/zinc/53/01/71/600530171.db2.gz HDXMYZDVFVXJTK-UHFFFAOYSA-N -2 0 317.273 1.047 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c(C)c1 ZINC000738064038 600576655 /nfs/dbraw/zinc/57/66/55/600576655.db2.gz PEDOUFZMUVFWGL-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)cn1 ZINC000035651642 600672866 /nfs/dbraw/zinc/67/28/66/600672866.db2.gz SKSOCZJIGHVEKH-UHFFFAOYSA-N -2 0 315.738 1.422 20 0 DDADRL Cc1ccc(-n2[n-]c(C(=O)NC(C)(C)CC(=O)[O-])cc2=O)cc1 ZINC000832910106 600967173 /nfs/dbraw/zinc/96/71/73/600967173.db2.gz NQQPAKVAVZUGKW-UHFFFAOYSA-N -2 0 317.345 1.457 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n(C)n1 ZINC000830224610 600982612 /nfs/dbraw/zinc/98/26/12/600982612.db2.gz RQDKSWCVHNWWHE-UHFFFAOYSA-N -2 0 315.376 1.543 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)no1 ZINC000830224591 601229966 /nfs/dbraw/zinc/22/99/66/601229966.db2.gz QPHBKUYCALUQFD-UHFFFAOYSA-N -2 0 300.292 1.637 20 0 DDADRL CC[C@H](C)[C@H](NC(=O)CSc1n[n-]c(=S)s1)C(=O)[O-] ZINC000820437748 601278826 /nfs/dbraw/zinc/27/88/26/601278826.db2.gz XMMDRJSJALSZQB-FSPLSTOPSA-N -2 0 321.449 1.534 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)n(C)n1 ZINC000386227914 601358620 /nfs/dbraw/zinc/35/86/20/601358620.db2.gz PZDVBUZMWCWXMX-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL CCOc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000830104877 601362424 /nfs/dbraw/zinc/36/24/24/601362424.db2.gz XQYCWSGOISUQNB-UHFFFAOYSA-N -2 0 322.342 1.979 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)no1 ZINC000830224427 601363626 /nfs/dbraw/zinc/36/36/26/601363626.db2.gz OBGXNTYMHBPQJD-UHFFFAOYSA-N -2 0 302.333 1.798 20 0 DDADRL Cc1cc(CSc2n[n-]c3nc(=O)c(C)nn32)oc1C(=O)[O-] ZINC000832886111 601407827 /nfs/dbraw/zinc/40/78/27/601407827.db2.gz VFUGFLDBUJXTOH-UHFFFAOYSA-N -2 0 321.318 1.013 20 0 DDADRL C[C@H](CS(=O)(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)C(=O)[O-] ZINC000827570679 601614265 /nfs/dbraw/zinc/61/42/65/601614265.db2.gz FQWQSVVXTNXEOB-ZCFIWIBFSA-N -2 0 321.738 1.501 20 0 DDADRL C[C@]1(C(=O)[O-])CCN(C(=O)CSc2n[n-]c(=S)s2)C1 ZINC000827991333 602034529 /nfs/dbraw/zinc/03/45/29/602034529.db2.gz BSSUJUPNUVBKKP-JTQLQIEISA-N -2 0 319.433 1.242 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc(C(F)F)s2)c[nH]1 ZINC000833306477 602212697 /nfs/dbraw/zinc/21/26/97/602212697.db2.gz XAOUAJNOKKTNGL-UHFFFAOYSA-N -2 0 324.290 1.303 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)s1 ZINC000833323538 602319524 /nfs/dbraw/zinc/31/95/24/602319524.db2.gz MITUYRGOTIKYLO-UHFFFAOYSA-N -2 0 324.343 1.518 20 0 DDADRL CC(C)(NC(=O)[O-])C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000738751067 602325137 /nfs/dbraw/zinc/32/51/37/602325137.db2.gz JDPJIQJNAYTUAP-UHFFFAOYSA-N -2 0 306.278 1.015 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=N[C@H]2CCCCN(C(=O)[O-])C2)cc1 ZINC000740106820 602813998 /nfs/dbraw/zinc/81/39/98/602813998.db2.gz WMLLKSQGACSNHN-LBPRGKRZSA-N -2 0 316.365 1.337 20 0 DDADRL COc1ccccc1[C@@H](NC(=O)[O-])C(=O)[N-]O[C@@H]1CCCCO1 ZINC000739967161 602900238 /nfs/dbraw/zinc/90/02/38/602900238.db2.gz GKQDYZJBBAVTEB-CHWSQXEVSA-N -2 0 324.333 1.578 20 0 DDADRL C[C@@H]1CN(Cc2c([O-])nnn2-c2ccccc2)CCN1C(=O)[O-] ZINC000739186875 603053264 /nfs/dbraw/zinc/05/32/64/603053264.db2.gz UPPDOXGRKXXPDG-LLVKDONJSA-N -2 0 317.349 1.157 20 0 DDADRL C[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CCN1C(=O)[O-] ZINC000739186211 603352398 /nfs/dbraw/zinc/35/23/98/603352398.db2.gz GYURTRBEWRPXJN-MRVPVSSYSA-N -2 0 308.363 1.581 20 0 DDADRL CC(C)(CC(=O)NCCc1ccc(NC(=O)[O-])cc1)C(=O)[O-] ZINC000823881091 604157326 /nfs/dbraw/zinc/15/73/26/604157326.db2.gz BDUCFQXEPLLFAK-UHFFFAOYSA-N -2 0 308.334 1.936 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)nc1Cl ZINC000759708650 604397641 /nfs/dbraw/zinc/39/76/41/604397641.db2.gz ZIVLNMVAKANHHQ-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL C[C@@H](CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)NC(=O)[O-] ZINC000833798650 605308556 /nfs/dbraw/zinc/30/85/56/605308556.db2.gz FUJUHMNNKQRDTH-VHSXEESVSA-N -2 0 300.355 1.382 20 0 DDADRL C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)c1c([O-])cc(F)cc1F ZINC000825831187 605360704 /nfs/dbraw/zinc/36/07/04/605360704.db2.gz KISVKMWCTKQQGO-APPZFPTMSA-N -2 0 314.288 1.931 20 0 DDADRL Cn1[n-]nnc1=N[C@H](CNC(=O)[O-])c1ccc2ccccc2c1 ZINC000833959623 605626512 /nfs/dbraw/zinc/62/65/12/605626512.db2.gz BVTHMSYHDXVJGT-CYBMUJFWSA-N -2 0 312.333 1.206 20 0 DDADRL O=C([O-])NCCCCC(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000834234793 605910033 /nfs/dbraw/zinc/91/00/33/605910033.db2.gz WXQFAZLOVAJWPV-UHFFFAOYSA-N -2 0 318.326 1.069 20 0 DDADRL Cc1ccc(NC(=O)[O-])cc1NC(=O)NCc1n[nH]c(=O)[n-]1 ZINC000833907180 606011382 /nfs/dbraw/zinc/01/13/82/606011382.db2.gz ZBTUCTVWJMQXHP-UHFFFAOYSA-N -2 0 306.282 1.230 20 0 DDADRL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000834060451 606029582 /nfs/dbraw/zinc/02/95/82/606029582.db2.gz ZQINNQAZNZVTQN-CHWSQXEVSA-N -2 0 320.345 1.331 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)CC2CCC2)C1 ZINC000834168965 606030095 /nfs/dbraw/zinc/03/00/95/606030095.db2.gz JYQNFCMNGGUKLZ-WDEREUQCSA-N -2 0 318.395 1.059 20 0 DDADRL O=C([O-])N[C@H](C(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000834251660 606030783 /nfs/dbraw/zinc/03/07/83/606030783.db2.gz KVQNUWOVSCWKQH-LBPRGKRZSA-N -2 0 306.318 1.319 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000834059826 606030907 /nfs/dbraw/zinc/03/09/07/606030907.db2.gz URHVXWIGCOPZEI-LOWDOPEQSA-N -2 0 324.377 1.763 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC1CN(C(=O)[O-])C1 ZINC000834058446 606031077 /nfs/dbraw/zinc/03/10/77/606031077.db2.gz NCQYYTPVEOIQGH-SRVKXCTJSA-N -2 0 310.350 1.231 20 0 DDADRL CCN(CCC(=O)[O-])C(=O)[C@@H]1c2ccccc2CCN1C(=O)[O-] ZINC000833856858 606046020 /nfs/dbraw/zinc/04/60/20/606046020.db2.gz ATKXLUKGXOZMFW-AWEZNQCLSA-N -2 0 320.345 1.587 20 0 DDADRL O=C([O-])[C@@H](CNC(=O)[C@H]1CSCN1C(=O)[O-])c1ccccc1 ZINC000834057188 606065264 /nfs/dbraw/zinc/06/52/64/606065264.db2.gz BCWMTVXNQOQELS-WDEREUQCSA-N -2 0 324.358 1.024 20 0 DDADRL O=C([O-])NCCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000834227943 606067081 /nfs/dbraw/zinc/06/70/81/606067081.db2.gz UMHXLGBBAYIYPE-JTQLQIEISA-N -2 0 300.698 1.240 20 0 DDADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2cncnc2)c1 ZINC000231773282 697787654 /nfs/dbraw/zinc/78/76/54/697787654.db2.gz NIBVOJFYZNLXDO-UHFFFAOYSA-N -2 0 315.257 1.254 20 0 DDADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]OCc1ccc(F)cc1 ZINC000760512599 700812283 /nfs/dbraw/zinc/81/22/83/700812283.db2.gz RYLGVCBDVPLASF-UHFFFAOYSA-N -2 0 322.258 1.831 20 0 DDADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)[N-]N2CCCC2=O)n1 ZINC000770547978 701283273 /nfs/dbraw/zinc/28/32/73/701283273.db2.gz XJZYFGXPFBTZIW-UHFFFAOYSA-N -2 0 318.308 1.293 20 0 DDADRL Cc1ccc(-c2cc(C(=O)[N-]n3c(=O)[n-][nH]c3=O)on2)cc1 ZINC000816732802 702168329 /nfs/dbraw/zinc/16/83/29/702168329.db2.gz VVSFIRHPUHNZPO-UHFFFAOYSA-N -2 0 301.262 1.037 20 0 DDADRL O=C([O-])[C@@H](F)C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000903035011 711009662 /nfs/dbraw/zinc/00/96/62/711009662.db2.gz HJOYMBBHEIRWRP-VKHMYHEASA-N -2 0 322.166 1.756 20 0 DDADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000863953251 706044929 /nfs/dbraw/zinc/04/49/29/706044929.db2.gz QKOXBFNVRRGKOW-XVJNWHFHSA-N -2 0 323.370 1.604 20 0 DDADRL Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])c1C ZINC000863952824 706045082 /nfs/dbraw/zinc/04/50/82/706045082.db2.gz DWJFRKGEHCNDPI-UHFFFAOYSA-N -2 0 313.375 1.590 20 0 DDADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)CCC(=O)[O-] ZINC000863961324 706046934 /nfs/dbraw/zinc/04/69/34/706046934.db2.gz LSTVUOUDJLSAND-UHFFFAOYSA-N -2 0 321.738 1.018 20 0 DDADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)CCC1CCCC1)C1CC1 ZINC000863963033 706047555 /nfs/dbraw/zinc/04/75/55/706047555.db2.gz HAHDORIZYSXACW-LLVKDONJSA-N -2 0 303.380 1.124 20 0 DDADRL O=C([O-])C[C@@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)CCO1 ZINC000909266946 712978435 /nfs/dbraw/zinc/97/84/35/712978435.db2.gz YSBYQZLCLSIIQV-MRVPVSSYSA-N -2 0 317.700 1.500 20 0 DDADRL COC[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000909938579 709696543 /nfs/dbraw/zinc/69/65/43/709696543.db2.gz RLYLGWJQIQYXIY-AWEZNQCLSA-N -2 0 313.737 1.751 20 0 DDADRL O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000909942569 709699285 /nfs/dbraw/zinc/69/92/85/709699285.db2.gz ILAPGEBWZFDBNB-WCBMZHEXSA-N -2 0 303.673 1.157 20 0 DDADRL CCC[C@@H]1CCC[C@@H]1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910181160 709800157 /nfs/dbraw/zinc/80/01/57/709800157.db2.gz CGMJBCDOTIMTDI-MROQNXINSA-N -2 0 311.378 1.979 20 0 DDADRL CC1(C)CCC[C@H](C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])C1 ZINC000910183500 709801035 /nfs/dbraw/zinc/80/10/35/709801035.db2.gz LOEOJSQXQOHDGP-SDDRHHMPSA-N -2 0 311.378 1.979 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCc2ccsc2)C1 ZINC000910187171 709802916 /nfs/dbraw/zinc/80/29/16/709802916.db2.gz BJDSBOFLFMTFRZ-QWRGUYRKSA-N -2 0 311.359 1.457 20 0 DDADRL Cc1ccc(F)c(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910188544 709803759 /nfs/dbraw/zinc/80/37/59/709803759.db2.gz LLACWZUUPWHPAX-CABZTGNLSA-N -2 0 309.293 1.524 20 0 DDADRL O=C([O-])[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2F)[C@H]2C[C@H]21 ZINC000926601213 715094946 /nfs/dbraw/zinc/09/49/46/715094946.db2.gz QGPOTAFTUFSNPL-UVMAFCGOSA-N -2 0 317.313 1.352 20 0 DDADRL CCn1cnc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC001192114344 745693159 /nfs/dbraw/zinc/69/31/59/745693159.db2.gz VNCZWQIGFWMUJA-UHFFFAOYSA-N -2 0 323.374 1.721 20 0 DDADRL Cc1nccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)n1 ZINC001192683425 745862176 /nfs/dbraw/zinc/86/21/76/745862176.db2.gz PFVSPQWRQPNPGO-UHFFFAOYSA-N -2 0 323.330 1.049 20 0 DDADRL O=C(NCCCC[P@](=O)([O-])O)c1ccc(F)c([O-])c1F ZINC001193793830 746194379 /nfs/dbraw/zinc/19/43/79/746194379.db2.gz TVTDKIBKBLQUHU-UHFFFAOYSA-N -2 0 309.205 1.358 20 0 DDADRL CC1(C)OC(=O)c2c1ccnc2NCCOP(=O)([O-])[O-] ZINC001157787371 766638968 /nfs/dbraw/zinc/63/89/68/766638968.db2.gz IXCHRADVOYAIKQ-UHFFFAOYSA-N -2 0 302.223 1.008 20 0 DDADRL COC(=O)c1ncc(=O)[nH]c1Nc1cc([S-])cc([S-])c1 ZINC001170485018 767418945 /nfs/dbraw/zinc/41/89/45/767418945.db2.gz HCQHRTBNHORSQS-UHFFFAOYSA-N -2 0 309.372 1.878 20 0 DDADRL Nc1cc(F)ccc1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001174956097 777647634 /nfs/dbraw/zinc/64/76/34/777647634.db2.gz GKOORRRUQKZMNY-UHFFFAOYSA-N -2 0 324.333 1.836 20 0 DDADRL CNC(=O)c1cccnc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238657 778088514 /nfs/dbraw/zinc/08/85/14/778088514.db2.gz SGOUPXITAOUTMT-UHFFFAOYSA-N -2 0 315.285 1.581 20 0 DDADRL Cc1cc(Cl)ccc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001226880869 882698445 /nfs/dbraw/zinc/69/84/45/882698445.db2.gz GHTLCDZSVPUAGM-MRVPVSSYSA-N -2 0 310.626 1.024 20 0 DDADRL CC(C)(C)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227472029 883034603 /nfs/dbraw/zinc/03/46/03/883034603.db2.gz JSSJPHLSAKSOQI-ZANVPECISA-N -2 0 324.329 1.426 20 0 DDADRL Cc1cc(C)c(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(C)c1 ZINC001222900191 880739730 /nfs/dbraw/zinc/73/97/30/880739730.db2.gz LOEUFSNDQPLTIC-SMDDNHRTSA-N -2 0 324.329 1.191 20 0 DDADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)[N-]N3CCCC3=O)n2)c1 ZINC001362306938 883529225 /nfs/dbraw/zinc/52/92/25/883529225.db2.gz FVFSXNBUWXZGHK-UHFFFAOYSA-N -2 0 318.308 1.293 20 0 DDADRL Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(C(C)C)c1 ZINC001229126284 883836629 /nfs/dbraw/zinc/83/66/29/883836629.db2.gz VHTPPKWDTWKCDZ-SMDDNHRTSA-N -2 0 324.329 1.560 20 0 DDADRL Cc1cc(=O)n(-c2ccc(-c3ccc(CC(=O)[O-])cc3)nn2)[n-]1 ZINC001240972524 891104835 /nfs/dbraw/zinc/10/48/35/891104835.db2.gz HMPIPYKCTMJCEQ-UHFFFAOYSA-N -2 0 310.313 1.883 20 0 DDADRL CS(=O)(=O)c1cccnc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242159626 891354060 /nfs/dbraw/zinc/35/40/60/891354060.db2.gz NUMALIMYTLFDBP-UHFFFAOYSA-N -2 0 321.310 1.549 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)N[C@H]2[CH]CC=C2)c(F)cc1Cl ZINC001259225883 898539356 /nfs/dbraw/zinc/53/93/56/898539356.db2.gz MCKRRNMYHOFDNV-SSDOTTSWSA-N -2 0 318.733 1.988 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc3ccccn3n2)c1 ZINC001260184723 899078908 /nfs/dbraw/zinc/07/89/08/899078908.db2.gz ZCXSLUSRPZAVCL-UHFFFAOYSA-N -2 0 317.326 1.833 20 0 DDADRL CC(C)(C[N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000164866419 197665107 /nfs/dbraw/zinc/66/51/07/197665107.db2.gz SNDNATYUXWMXMV-UHFFFAOYSA-N -2 0 311.281 1.493 20 0 DDADRL CCn1nccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000471938976 233710776 /nfs/dbraw/zinc/71/07/76/233710776.db2.gz HRSPJGTYANFFFL-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL O=C([O-])CCCCCNC(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000417780252 304047124 /nfs/dbraw/zinc/04/71/24/304047124.db2.gz CQSIGBVENRGXAB-UHFFFAOYSA-N -2 0 320.271 1.684 20 0 DDADRL O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000092181583 193171219 /nfs/dbraw/zinc/17/12/19/193171219.db2.gz GDDIXXGJULPMHQ-YUMQZZPRSA-N -2 0 303.286 1.272 20 0 DDADRL CCC(=O)C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000275025448 212080251 /nfs/dbraw/zinc/08/02/51/212080251.db2.gz PGGVPWUYLSVOTP-JTQLQIEISA-N -2 0 321.301 1.066 20 0 DDADRL O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000568749529 304309573 /nfs/dbraw/zinc/30/95/73/304309573.db2.gz PVVKGASVULSFSM-LLVKDONJSA-N -2 0 317.301 1.109 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])c[nH]1 ZINC000070069706 406809339 /nfs/dbraw/zinc/80/93/39/406809339.db2.gz LPBYHFUZIUMYCY-UHFFFAOYSA-N -2 0 309.347 1.834 20 0 DDADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C)c1 ZINC000035737942 406974599 /nfs/dbraw/zinc/97/45/99/406974599.db2.gz AYGHISBJIRLGPV-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cn1 ZINC000032595372 406950799 /nfs/dbraw/zinc/95/07/99/406950799.db2.gz JFQGFDKDRQLQFV-UHFFFAOYSA-N -2 0 301.349 1.464 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cn1 ZINC000055311029 407200309 /nfs/dbraw/zinc/20/03/09/407200309.db2.gz WJRYPJXSEOXKHW-UHFFFAOYSA-N -2 0 312.303 1.491 20 0 DDADRL Cc1ccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])s1 ZINC000227941122 407642476 /nfs/dbraw/zinc/64/24/76/407642476.db2.gz WOOOCURRJSDEKZ-MRVPVSSYSA-N -2 0 321.376 1.043 20 0 DDADRL CS[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000235228585 407716572 /nfs/dbraw/zinc/71/65/72/407716572.db2.gz OMILQKOTTJCJCY-DTWKUNHWSA-N -2 0 319.404 1.930 20 0 DDADRL Cc1cccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000172601091 162286025 /nfs/dbraw/zinc/28/60/25/162286025.db2.gz JOEGLLRTHDZKLA-UHFFFAOYSA-N -2 0 310.313 1.893 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cnc(C)nc2)c(C)c1C(=O)[O-] ZINC000338123496 409734277 /nfs/dbraw/zinc/73/42/77/409734277.db2.gz FXQALFGPPWMNCD-UHFFFAOYSA-N -2 0 321.358 1.901 20 0 DDADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000347265420 410430372 /nfs/dbraw/zinc/43/03/72/410430372.db2.gz LJVLCXAYBNHVDZ-UHFFFAOYSA-N -2 0 321.358 1.780 20 0 DDADRL CO[C@H](C)c1nc(=NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)s[n-]1 ZINC000647703043 423005302 /nfs/dbraw/zinc/00/53/02/423005302.db2.gz JWDRVWXTIIRDJP-GJMOJQLCSA-N -2 0 314.367 1.042 20 0 DDADRL COc1ccc(C(=O)N=c2cc(C(F)(F)F)[n-][nH]2)c([O-])c1 ZINC000436964228 420387529 /nfs/dbraw/zinc/38/75/29/420387529.db2.gz QFVOVTUZWSOEMI-UHFFFAOYSA-N -2 0 301.224 1.817 20 0 DDADRL Cc1nc(=NC(=O)c2c[n-]c3nc(C)ccc3c2=O)s[n-]1 ZINC000440299286 420567278 /nfs/dbraw/zinc/56/72/78/420567278.db2.gz YTNSIAYQXUGUQB-UHFFFAOYSA-N -2 0 301.331 1.478 20 0 DDADRL CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)c1cn(C(C)C)cn1 ZINC000516832480 421569779 /nfs/dbraw/zinc/56/97/79/421569779.db2.gz QFISQHSAKBMNAW-JTQLQIEISA-N -2 0 303.384 1.242 20 0 DDADRL O=C([O-])CCN(C(=O)c1ccc(C(=O)[O-])cc1)C1CCOCC1 ZINC000581884369 422062484 /nfs/dbraw/zinc/06/24/84/422062484.db2.gz HDAGWLATQMRRMA-UHFFFAOYSA-N -2 0 321.329 1.481 20 0 DDADRL CC[C@@H](C(=O)[O-])N(C)C(=O)c1cnc2cc(OC)ccc2c1O ZINC000653461632 423485528 /nfs/dbraw/zinc/48/55/28/423485528.db2.gz DJUGGYLBOLNAAY-ZDUSSCGKSA-N -2 0 318.329 1.472 20 0 DDADRL Cc1n[n-]c(=NC(=O)N[C@@H](C(=O)[O-])C2CCCCCC2)s1 ZINC000653472327 423487988 /nfs/dbraw/zinc/48/79/88/423487988.db2.gz MOVUXLLZUQCTSE-SNVBAGLBSA-N -2 0 312.395 1.814 20 0 DDADRL C[C@H](CC(=O)[O-])n1cc(-c2ccc(C(=O)[O-])cc2CO)cn1 ZINC000657207078 424212893 /nfs/dbraw/zinc/21/28/93/424212893.db2.gz RGQQSSOKYXXECH-SECBINFHSA-N -2 0 304.302 1.776 20 0 DDADRL COc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000345702096 272307763 /nfs/dbraw/zinc/30/77/63/272307763.db2.gz ZGRFFMSEPMSBAS-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL CC(C)(CCNC(=O)NC1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC000424397107 278605218 /nfs/dbraw/zinc/60/52/18/278605218.db2.gz JBMHTXPDQKJSGQ-UHFFFAOYSA-N -2 0 300.355 1.430 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=NCC2(C(=O)[O-])CCCCC2)cc1 ZINC000516973164 307426429 /nfs/dbraw/zinc/42/64/29/307426429.db2.gz PEGJQABQOYSVCS-UHFFFAOYSA-N -2 0 315.377 1.840 20 0 DDADRL Cc1n[n-]c(=NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)s1 ZINC000582778801 337155360 /nfs/dbraw/zinc/15/53/60/337155360.db2.gz HWQGZIFDGMXBLJ-NSHDSACASA-N -2 0 320.374 1.833 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CC1CCC1)C(=O)[O-] ZINC000530367988 484295269 /nfs/dbraw/zinc/29/52/69/484295269.db2.gz FKYRJLHEABVULJ-SVRRBLITSA-N -2 0 303.302 1.500 20 0 DDADRL O=C([O-])COc1cccc(C(=O)NC2(CC(=O)[O-])CCC2)c1 ZINC000663119259 484683136 /nfs/dbraw/zinc/68/31/36/484683136.db2.gz KEYYCDARVREMRG-UHFFFAOYSA-N -2 0 307.302 1.277 20 0 DDADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000827303129 602195324 /nfs/dbraw/zinc/19/53/24/602195324.db2.gz CABICHWSIKLPEN-MRVPVSSYSA-N -2 0 319.766 1.397 20 0 DDADRL CSC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000738188361 599982963 /nfs/dbraw/zinc/98/29/63/599982963.db2.gz IEGHORNBCOVLBZ-MRVPVSSYSA-N -2 0 317.388 1.189 20 0 DDADRL N#Cc1cccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)c1 ZINC000020552237 600050884 /nfs/dbraw/zinc/05/08/84/600050884.db2.gz WBSCBRFULWZTAH-UHFFFAOYSA-N -2 0 323.355 1.443 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n(C)n1 ZINC000738463756 600054311 /nfs/dbraw/zinc/05/43/11/600054311.db2.gz VDGDXSDALDFGFT-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL CCn1c(C)cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1C ZINC000737293679 600464239 /nfs/dbraw/zinc/46/42/39/600464239.db2.gz HHLHLLJKSBJQNA-UHFFFAOYSA-N -2 0 316.379 1.049 20 0 DDADRL Cc1cccc(CCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1 ZINC000738707219 600465583 /nfs/dbraw/zinc/46/55/83/600465583.db2.gz GVAGNMAMFWNRCV-UHFFFAOYSA-N -2 0 313.375 1.238 20 0 DDADRL Cc1cn2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)ccc2n1 ZINC000738798369 600513296 /nfs/dbraw/zinc/51/32/96/600513296.db2.gz JGWJCQWTLLQROR-UHFFFAOYSA-N -2 0 321.314 1.735 20 0 DDADRL CC(C)(C)[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C(=O)[O-] ZINC000736290463 600602122 /nfs/dbraw/zinc/60/21/22/600602122.db2.gz ZWIQNWDYNCVLLC-SNVBAGLBSA-N -2 0 319.317 1.259 20 0 DDADRL CC1=C(C(=O)[O-])[C@H](c2cccc(OCC(=O)[O-])c2)NC(=O)N1C ZINC000736751121 600625055 /nfs/dbraw/zinc/62/50/55/600625055.db2.gz PEEHJCOOYWSCTR-ZDUSSCGKSA-N -2 0 320.301 1.205 20 0 DDADRL CCc1nnsc1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000737292340 600629440 /nfs/dbraw/zinc/62/94/40/600629440.db2.gz OUGPCNHMFHTNSO-UHFFFAOYSA-N -2 0 313.364 1.222 20 0 DDADRL Cc1nn(C)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1C ZINC000833013892 600978840 /nfs/dbraw/zinc/97/88/40/600978840.db2.gz GJVIFELVKGMHCN-UHFFFAOYSA-N -2 0 315.376 1.597 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)nc1 ZINC000832419620 600985678 /nfs/dbraw/zinc/98/56/78/600985678.db2.gz RWXNYFKQKQOWGE-UHFFFAOYSA-N -2 0 314.344 1.651 20 0 DDADRL O=C([O-])[C@@H]1CCCCN1C(=O)CSc1n[n-]c(=S)s1 ZINC000821509369 601198003 /nfs/dbraw/zinc/19/80/03/601198003.db2.gz CKVUDKOZYYGOGE-LURJTMIESA-N -2 0 319.433 1.385 20 0 DDADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000833023327 601233063 /nfs/dbraw/zinc/23/30/63/601233063.db2.gz YDHRCAICIULAHG-UHFFFAOYSA-N -2 0 300.292 1.692 20 0 DDADRL O=C([O-])[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2)C1 ZINC000833185854 601235183 /nfs/dbraw/zinc/23/51/83/601235183.db2.gz ZDBMTOZZMJJJPN-MNOVXSKESA-N -2 0 311.359 1.383 20 0 DDADRL COc1ccc(CNC(=O)C(F)(F)C(F)F)cc1C(=O)[O-] ZINC000832319020 601278811 /nfs/dbraw/zinc/27/88/11/601278811.db2.gz PKRLTAKFYYSBIL-UHFFFAOYSA-N -2 0 309.215 1.910 20 0 DDADRL CC(C)CC1(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CCC1 ZINC000826819599 601769616 /nfs/dbraw/zinc/76/96/16/601769616.db2.gz JVWPKYCHFQCKPS-UHFFFAOYSA-N -2 0 305.396 1.514 20 0 DDADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000827304383 602186778 /nfs/dbraw/zinc/18/67/78/602186778.db2.gz SNDMTRUDPSAMAY-LURJTMIESA-N -2 0 323.729 1.395 20 0 DDADRL Cc1[nH]nc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1C ZINC000228329011 602211572 /nfs/dbraw/zinc/21/15/72/602211572.db2.gz CTVGLJIHRHHWBF-UHFFFAOYSA-N -2 0 309.347 1.834 20 0 DDADRL CC[C@](C)(NC(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)[O-] ZINC000828693366 602299255 /nfs/dbraw/zinc/29/92/55/602299255.db2.gz VJXKXCWHFRPELQ-HNNXBMFYSA-N -2 0 321.308 1.700 20 0 DDADRL COc1ccc(C(=O)NCCCN(C(=O)[O-])C(C)C)c(O)c1 ZINC000739885213 602406564 /nfs/dbraw/zinc/40/65/64/602406564.db2.gz LQMCMSWWUGIHEJ-UHFFFAOYSA-N -2 0 310.350 1.909 20 0 DDADRL CCC(CC)(CC(=O)NC[C@H]1CCCN1C(=O)[O-])C(=O)[O-] ZINC000739247968 602593614 /nfs/dbraw/zinc/59/36/14/602593614.db2.gz BXAZYRSCQMCMJU-SNVBAGLBSA-N -2 0 300.355 1.526 20 0 DDADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-] ZINC000736723407 602778775 /nfs/dbraw/zinc/77/87/75/602778775.db2.gz FWSNLKUBSSSHOL-JTQLQIEISA-N -2 0 314.363 1.241 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=N[C@@H]2CCCCN(C(=O)[O-])C2)cc1 ZINC000740106818 602814281 /nfs/dbraw/zinc/81/42/81/602814281.db2.gz WMLLKSQGACSNHN-GFCCVEGCSA-N -2 0 316.365 1.337 20 0 DDADRL O=C([O-])N1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000738644355 603110056 /nfs/dbraw/zinc/11/00/56/603110056.db2.gz JGUKWVBKIVICNG-UHFFFAOYSA-N -2 0 307.331 1.552 20 0 DDADRL Cc1ccc(C(=O)[N-]S(=O)(=O)CC2CC2)cc1NC(=O)[O-] ZINC000830224837 603447171 /nfs/dbraw/zinc/44/71/71/603447171.db2.gz ACDWIXBXBUURHR-UHFFFAOYSA-N -2 0 312.347 1.555 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)nc1Cl ZINC000833054368 604399304 /nfs/dbraw/zinc/39/93/04/604399304.db2.gz WLBJQQSYQNRIJN-UHFFFAOYSA-N -2 0 321.767 1.634 20 0 DDADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cn1 ZINC000833451899 604687338 /nfs/dbraw/zinc/68/73/38/604687338.db2.gz JKYPUOLLZZDAIS-UHFFFAOYSA-N -2 0 324.362 1.532 20 0 DDADRL O=C([O-])N[C@H]1CC[C@@H](C(=O)NCCc2cccc(C(=O)[O-])c2)C1 ZINC000834168952 605308410 /nfs/dbraw/zinc/30/84/10/605308410.db2.gz JNHOVLBYHWDUMI-YPMHNXCESA-N -2 0 320.345 1.480 20 0 DDADRL Cc1oc(-c2ccco2)nc1CC(=O)[N-]OC[C@@H](C)NC(=O)[O-] ZINC000833934463 605402188 /nfs/dbraw/zinc/40/21/88/605402188.db2.gz AJEIYBMRJVLHIE-MRVPVSSYSA-N -2 0 323.305 1.489 20 0 DDADRL CC(C)(C)c1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)no1 ZINC000833451177 605585444 /nfs/dbraw/zinc/58/54/44/605585444.db2.gz STHKZYLASNNGKE-UHFFFAOYSA-N -2 0 315.307 1.459 20 0 DDADRL O=C([O-])Cc1csc(NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)n1 ZINC000834069295 606027938 /nfs/dbraw/zinc/02/79/38/606027938.db2.gz RJRNAKFBEGKYMG-RQJHMYQMSA-N -2 0 313.335 1.145 20 0 DDADRL O=C([O-])NC[C@H](C(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000834203780 606030132 /nfs/dbraw/zinc/03/01/32/606030132.db2.gz ANIDYJSVQMNMBA-ZDUSSCGKSA-N -2 0 320.345 1.361 20 0 DDADRL O=C([O-])N[C@H](CC(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000834120057 606030373 /nfs/dbraw/zinc/03/03/73/606030373.db2.gz FVZOQIAWYLXKQC-CYBMUJFWSA-N -2 0 320.345 1.709 20 0 DDADRL C[C@H]1[C@H](C)N(C(=O)[O-])CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000833829238 606045378 /nfs/dbraw/zinc/04/53/78/606045378.db2.gz RBSLEYASBCPRRT-IUCAKERBSA-N -2 0 322.390 1.970 20 0 DDADRL O=C([O-])CCc1ccc(NC(=O)[C@H]2CSCN2C(=O)[O-])cc1 ZINC000834058842 606063385 /nfs/dbraw/zinc/06/33/85/606063385.db2.gz FGLXLCZGEVYQFW-LLVKDONJSA-N -2 0 324.358 1.695 20 0 DDADRL O=C([O-])N[C@@H](CC(=O)N1CC[C@@](F)(C(=O)[O-])C1)c1ccccc1 ZINC000834119214 606067003 /nfs/dbraw/zinc/06/70/03/606067003.db2.gz BAFKXNAADNACMB-NHYWBVRUSA-N -2 0 324.308 1.411 20 0 DDADRL C[C@@H](CC[N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000128884322 696782952 /nfs/dbraw/zinc/78/29/52/696782952.db2.gz OWTHSDBCZURVEG-LURJTMIESA-N -2 0 311.281 1.493 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])c(F)c1 ZINC000384690251 699072500 /nfs/dbraw/zinc/07/25/00/699072500.db2.gz DJSFJZHHWFJLQH-UHFFFAOYSA-N -2 0 317.273 1.495 20 0 DDADRL CC(C)C[C@H](C)S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000788440508 699313877 /nfs/dbraw/zinc/31/38/77/699313877.db2.gz VCNGGBKJNWHSGJ-VHSXEESVSA-N -2 0 309.384 1.049 20 0 DDADRL O=C(NCCc1n[n-]c(=S)o1)c1cc(F)c(F)c([O-])c1F ZINC000762994582 700918602 /nfs/dbraw/zinc/91/86/02/700918602.db2.gz HEDAZYLHNRIWJX-UHFFFAOYSA-N -2 0 319.264 1.454 20 0 DDADRL CC[C@H](C)CO[N-]C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000817880741 702507556 /nfs/dbraw/zinc/50/75/56/702507556.db2.gz DSSPNKUOXYWSHB-JTQLQIEISA-N -2 0 308.334 1.346 20 0 DDADRL CC(C)C[C@H](CNC(=O)C(=O)[N-]OCc1ccccc1)C(=O)[O-] ZINC000818659151 703953196 /nfs/dbraw/zinc/95/31/96/703953196.db2.gz LOKPOUULQNGGQJ-CYBMUJFWSA-N -2 0 322.361 1.098 20 0 DDADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)CCC1 ZINC000863952845 706045105 /nfs/dbraw/zinc/04/51/05/706045105.db2.gz FTJUSRMNIDNXNC-UHFFFAOYSA-N -2 0 323.370 1.235 20 0 DDADRL O=C([O-])CC1(C(=O)[N-]S(=O)(=O)/C=C/c2ccccc2)CCC1 ZINC000863952936 706045150 /nfs/dbraw/zinc/04/51/50/706045150.db2.gz JMUKSRVZNIWPCB-JXMROGBWSA-N -2 0 323.370 1.748 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)c(C)s1 ZINC000863953974 706045545 /nfs/dbraw/zinc/04/55/45/706045545.db2.gz HEWFFLKRWHXDNN-UHFFFAOYSA-N -2 0 317.388 1.425 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000863954999 706045727 /nfs/dbraw/zinc/04/57/27/706045727.db2.gz WJQOGMRIHVSZPU-RNCFNFMXSA-N -2 0 305.396 1.370 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])nc1 ZINC000863954933 706045867 /nfs/dbraw/zinc/04/58/67/706045867.db2.gz SIGOQNSFTHDKTK-VIFPVBQESA-N -2 0 314.363 1.276 20 0 DDADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C)ccn1 ZINC000863955388 706045943 /nfs/dbraw/zinc/04/59/43/706045943.db2.gz KIMXOMLGDJJXAH-UHFFFAOYSA-N -2 0 314.363 1.086 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CC2)c(C)s1 ZINC000863954398 706045978 /nfs/dbraw/zinc/04/59/78/706045978.db2.gz XOQWOJGBOBOJCI-SNVBAGLBSA-N -2 0 317.388 1.281 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)sc1C ZINC000863956583 706046152 /nfs/dbraw/zinc/04/61/52/706046152.db2.gz BQFJOLPUWNWAJD-JTQLQIEISA-N -2 0 319.404 1.527 20 0 DDADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2cccc(F)c2F)CCC1 ZINC000863959599 706046554 /nfs/dbraw/zinc/04/65/54/706046554.db2.gz JYSDVNPIRDXGPY-UHFFFAOYSA-N -2 0 319.285 1.025 20 0 DDADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)CCC1 ZINC000863957830 706046586 /nfs/dbraw/zinc/04/65/86/706046586.db2.gz URXSJQNEXROLQT-UHFFFAOYSA-N -2 0 317.285 1.030 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CCC2CCCC2)C1 ZINC000863963206 706047478 /nfs/dbraw/zinc/04/74/78/706047478.db2.gz OIRZLOKSYHSHNK-NWDGAFQWSA-N -2 0 317.407 1.514 20 0 DDADRL CCSCC[C@H](C)NS(=O)(=O)c1occc1C(=O)[O-] ZINC000871994327 707273003 /nfs/dbraw/zinc/27/30/03/707273003.db2.gz VOZJICDREGCFGQ-QMMMGPOBSA-N -2 0 307.393 1.788 20 0 DDADRL O=C([O-])c1cccc(C(=O)n2[n-]c(C3CCOCC3)cc2=O)c1 ZINC000899357072 709066463 /nfs/dbraw/zinc/06/64/63/709066463.db2.gz AYWBTRXMOPRKNC-UHFFFAOYSA-N -2 0 316.313 1.540 20 0 DDADRL CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1 ZINC000900470678 709611039 /nfs/dbraw/zinc/61/10/39/709611039.db2.gz XUOLCJXNEOMCDE-HZPDHXFCSA-N -2 0 309.362 1.901 20 0 DDADRL CC[C@@H]1CCCC[C@@H]1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910184012 709801144 /nfs/dbraw/zinc/80/11/44/709801144.db2.gz PBLRMGHJLAXQKA-FVCCEPFGSA-N -2 0 311.378 1.979 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)/C=C/c2cccc(F)c2)C1 ZINC000910184200 709801626 /nfs/dbraw/zinc/80/16/26/709801626.db2.gz FCKPCDHRBPHOQC-BCMFZCSUSA-N -2 0 321.304 1.615 20 0 DDADRL C[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910185274 709802171 /nfs/dbraw/zinc/80/21/71/709802171.db2.gz WCNJCDVYVSZMSF-FPMFFAJLSA-N -2 0 319.357 1.642 20 0 DDADRL C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000906786838 712411644 /nfs/dbraw/zinc/41/16/44/712411644.db2.gz PSZLVYCZMHKDLE-SFYZADRCSA-N -2 0 319.766 1.529 20 0 DDADRL O=C([O-])[C@]1(C(=O)[N-]OC[C@@H]2CCOC2)C[C@@H]1c1ccccc1 ZINC000907851631 712635818 /nfs/dbraw/zinc/63/58/18/712635818.db2.gz UBZGBRFYHFXZNJ-AXAPSJFSSA-N -2 0 305.330 1.329 20 0 DDADRL C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000921206985 713721750 /nfs/dbraw/zinc/72/17/50/713721750.db2.gz YNBRIFCTGZNROL-LURJTMIESA-N -2 0 321.738 1.180 20 0 DDADRL O=C(C[C@H]1CCc2ccc(F)cc21)NCCOP(=O)([O-])[O-] ZINC001182596075 743673661 /nfs/dbraw/zinc/67/36/61/743673661.db2.gz PLGYIIDKDIMFKV-SNVBAGLBSA-N -2 0 317.253 1.471 20 0 DDADRL CC(C)(Cc1ccccc1)C(=O)NCCOP(=O)([O-])[O-] ZINC001182605614 743680491 /nfs/dbraw/zinc/68/04/91/743680491.db2.gz QWPIXQMFILQBKN-UHFFFAOYSA-N -2 0 301.279 1.481 20 0 DDADRL COc1ccccc1SCC(=O)NCCOP(=O)([O-])[O-] ZINC001183826949 743921059 /nfs/dbraw/zinc/92/10/59/743921059.db2.gz ZOUNCIDAFPSPIP-UHFFFAOYSA-N -2 0 321.291 1.013 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2conc2C)cc1C(=O)[O-] ZINC001185269392 744194938 /nfs/dbraw/zinc/19/49/38/744194938.db2.gz LFERSGNDJGEILG-UHFFFAOYSA-N -2 0 312.303 1.491 20 0 DDADRL O=C([N-]c1noc2nccnc12)c1cc(F)c(F)c([O-])c1F ZINC001186771140 744447161 /nfs/dbraw/zinc/44/71/61/744447161.db2.gz RYKDAYMUBHHSBD-UHFFFAOYSA-N -2 0 310.191 1.993 20 0 DDADRL COCC1(NC(=O)c2ccccc2OP(=O)([O-])[O-])CCC1 ZINC001189899360 745048567 /nfs/dbraw/zinc/04/85/67/745048567.db2.gz AAOWVBWOEXUEGU-UHFFFAOYSA-N -2 0 315.262 1.457 20 0 DDADRL Cc1nccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)n1 ZINC001192106301 745692218 /nfs/dbraw/zinc/69/22/18/745692218.db2.gz AJGYQXUHNQNORU-UHFFFAOYSA-N -2 0 321.358 1.603 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1ccc(C(F)(F)F)o1 ZINC001194422643 746373135 /nfs/dbraw/zinc/37/31/35/746373135.db2.gz YPNZMCOFZPNTGV-UHFFFAOYSA-N -2 0 303.129 1.138 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)NC2=CC=C[CH]2)c(F)cc1F ZINC001195258613 746558111 /nfs/dbraw/zinc/55/81/11/746558111.db2.gz RRQBAOCLEJJMSE-UHFFFAOYSA-N -2 0 300.262 1.599 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnc(F)c(F)c1 ZINC001198750349 747588219 /nfs/dbraw/zinc/58/82/19/747588219.db2.gz PBUVHLVJJCLAJX-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL COC(=O)c1c(Cl)cc(C)nc1NCCOP(=O)([O-])[O-] ZINC001168586282 751177121 /nfs/dbraw/zinc/17/71/21/751177121.db2.gz HPYHGLJBIKIBRS-UHFFFAOYSA-N -2 0 324.657 1.351 20 0 DDADRL O=P([O-])([O-])OCCNc1ccc(OC(F)(F)F)cn1 ZINC001168590965 751213888 /nfs/dbraw/zinc/21/38/88/751213888.db2.gz DWFYBWFJLLLLRH-UHFFFAOYSA-N -2 0 302.145 1.501 20 0 DDADRL O=C([O-])C[C@H](C(=O)OCCC1CCCCC1)[C@H](O)C(=O)[O-] ZINC001206041298 766165983 /nfs/dbraw/zinc/16/59/83/766165983.db2.gz LQBCDNSZEJPDJC-JQWIXIFHSA-N -2 0 302.323 1.036 20 0 DDADRL Nc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)ccc1O ZINC001174809771 777606957 /nfs/dbraw/zinc/60/69/57/777606957.db2.gz RXCRCGBACQVPPM-UHFFFAOYSA-N -2 0 314.344 1.535 20 0 DDADRL CN(Cc1nc(=O)o[n-]1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC001143360615 861469976 /nfs/dbraw/zinc/46/99/76/861469976.db2.gz ADJHKYMOPBQJMT-UHFFFAOYSA-N -2 0 306.303 1.065 20 0 DDADRL O=C(NCCCC[P@](=O)([O-])O)c1cc2c(cccc2F)[nH]1 ZINC001151113041 862631396 /nfs/dbraw/zinc/63/13/96/862631396.db2.gz CYKJZIDGSNSRRM-UHFFFAOYSA-N -2 0 314.253 1.995 20 0 DDADRL Cc1cc(C(C)C)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230210304 884377462 /nfs/dbraw/zinc/37/74/62/884377462.db2.gz GICRDAUEAXRDDC-FZMZJTMJSA-N -2 0 324.329 1.560 20 0 DDADRL COC[C@H](C)OC[C@@H](C)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234336206 887878855 /nfs/dbraw/zinc/87/88/55/887878855.db2.gz PXEAUVARPLVSBL-WDEREUQCSA-N -2 0 320.278 1.977 20 0 DDADRL O=P([O-])([O-])c1ccc(-c2cnn(CC(F)(F)F)c2)cc1 ZINC001245392395 892104090 /nfs/dbraw/zinc/10/40/90/892104090.db2.gz VQABZGOFUVVBQJ-UHFFFAOYSA-N -2 0 306.180 1.915 20 0 DDADRL C[C@H](NC(=S)NCCOP(=O)([O-])[O-])c1ccc(F)cc1 ZINC001249617926 894067863 /nfs/dbraw/zinc/06/78/63/894067863.db2.gz YNOBYGJYALPOGS-QMMMGPOBSA-N -2 0 322.298 1.460 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])c1 ZINC000092890035 185348116 /nfs/dbraw/zinc/34/81/16/185348116.db2.gz DDSOXHKJSAGOEE-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL COC(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000055555457 352737710 /nfs/dbraw/zinc/73/77/10/352737710.db2.gz LIWNJRISAGYZIM-UHFFFAOYSA-N -2 0 316.335 1.058 20 0 DDADRL C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)C1CCOCC1 ZINC000235529079 354332968 /nfs/dbraw/zinc/33/29/68/354332968.db2.gz BLSXKVPNKACVAK-QMMMGPOBSA-N -2 0 303.336 1.071 20 0 DDADRL Cc1oncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000350297901 284179405 /nfs/dbraw/zinc/17/94/05/284179405.db2.gz AGWJWJGWBURDRH-UHFFFAOYSA-N -2 0 300.267 1.621 20 0 DDADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000352436514 285049783 /nfs/dbraw/zinc/04/97/83/285049783.db2.gz HKJGZKCFVBOJRT-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL O=C([N-]N1CCCCC1=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000176284608 408332581 /nfs/dbraw/zinc/33/25/81/408332581.db2.gz GGGIORDFMGFLOF-UHFFFAOYSA-N -2 0 318.308 1.374 20 0 DDADRL Cn1ccnc1-c1cc(NC(=O)c2c([O-])cccc2F)n[nH]1 ZINC000165157613 408808317 /nfs/dbraw/zinc/80/83/17/408808317.db2.gz UZFOUCHLXWXMEU-UHFFFAOYSA-N -2 0 301.281 1.907 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cn1 ZINC000314203281 164013943 /nfs/dbraw/zinc/01/39/43/164013943.db2.gz JCYTWFNKZJPOSY-UHFFFAOYSA-N -2 0 322.342 1.518 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)cc1C(=O)[O-] ZINC000315738538 164020154 /nfs/dbraw/zinc/02/01/54/164020154.db2.gz FZQVJULYQDWZJS-UHFFFAOYSA-N -2 0 320.330 1.400 20 0 DDADRL CC(C)(C(=O)[O-])C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000647733643 423020201 /nfs/dbraw/zinc/02/02/01/423020201.db2.gz SKYXTHVTTHNANN-GFCCVEGCSA-N -2 0 307.346 1.690 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=NC[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000424368751 228260815 /nfs/dbraw/zinc/26/08/15/228260815.db2.gz AIIOUVUDBVFHTE-GFCCVEGCSA-N -2 0 303.366 1.551 20 0 DDADRL COc1cncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c1 ZINC000436495049 420332651 /nfs/dbraw/zinc/33/26/51/420332651.db2.gz UPHIKBLZVCAFFL-UHFFFAOYSA-N -2 0 324.314 1.295 20 0 DDADRL COc1ccc(-c2noc(=NCCCc3n[nH]c(=O)[n-]3)[n-]2)cc1 ZINC000450367419 421189968 /nfs/dbraw/zinc/18/99/68/421189968.db2.gz YKDRQFQDVDESHR-UHFFFAOYSA-N -2 0 316.321 1.036 20 0 DDADRL CN(C)c1ccc([N-]S(=O)(=O)c2ccoc2)c(C(=O)[O-])c1 ZINC000571748354 421740300 /nfs/dbraw/zinc/74/03/00/421740300.db2.gz GGIMGLWHMXQHKS-UHFFFAOYSA-N -2 0 310.331 1.845 20 0 DDADRL COC(C)(C)c1nc(=NC(=O)c2ccc(F)cc2[O-])s[n-]1 ZINC000634151641 422289996 /nfs/dbraw/zinc/28/99/96/422289996.db2.gz GZUJHDNJBYKAGH-UHFFFAOYSA-N -2 0 311.338 1.939 20 0 DDADRL C[C@H](N=c1[n-]c(C2CCOCC2)no1)c1ncc(C(=O)[O-])s1 ZINC000578775539 422646774 /nfs/dbraw/zinc/64/67/74/422646774.db2.gz BJMUBTFZQINCBL-ZETCQYMHSA-N -2 0 324.362 1.713 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1 ZINC000653280659 423415911 /nfs/dbraw/zinc/41/59/11/423415911.db2.gz DJYYNSQOLTYRKC-BLLLJJGKSA-N -2 0 309.362 1.901 20 0 DDADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000659764728 424231252 /nfs/dbraw/zinc/23/12/52/424231252.db2.gz MYEVSSCAZAFVER-ZYHUDNBSSA-N -2 0 321.329 1.333 20 0 DDADRL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000070312197 298369012 /nfs/dbraw/zinc/36/90/12/298369012.db2.gz USDZECBDIFUOLT-ZCFIWIBFSA-N -2 0 311.281 1.636 20 0 DDADRL c1ccc(CCN=c2[n-]nc(SCc3nnn[n-]3)s2)cc1 ZINC000531438458 303245023 /nfs/dbraw/zinc/24/50/23/303245023.db2.gz SBJCTHFGKGLDQZ-UHFFFAOYSA-N -2 0 319.419 1.420 20 0 DDADRL COC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccco1 ZINC000572360412 308219041 /nfs/dbraw/zinc/21/90/41/308219041.db2.gz WSYOBBFEDGJRMI-VIFPVBQESA-N -2 0 315.303 1.237 20 0 DDADRL O=C([O-])C1([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000573376391 308238902 /nfs/dbraw/zinc/23/89/02/308238902.db2.gz QKKOMSCHMAYQEW-UHFFFAOYSA-N -2 0 311.693 1.514 20 0 DDADRL CC[C@](C)(NS(=O)(=O)c1cccc(OC)c1F)C(=O)[O-] ZINC000656179289 483998373 /nfs/dbraw/zinc/99/83/73/483998373.db2.gz BZJUBWWMHJMEGM-LBPRGKRZSA-N -2 0 305.327 1.366 20 0 DDADRL CCc1ccc(S(=O)(=O)[N-]c2nn(C)cc2C)cc1C(=O)[O-] ZINC000663264723 484772044 /nfs/dbraw/zinc/77/20/44/484772044.db2.gz NBHKVHBZTACKJG-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL Cc1cn(C)nc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000663263577 484772077 /nfs/dbraw/zinc/77/20/77/484772077.db2.gz CFPDQBISKIQQTP-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cn1 ZINC000389628471 597314239 /nfs/dbraw/zinc/31/42/39/597314239.db2.gz HBNKWJQECMWQFB-UHFFFAOYSA-N -2 0 317.326 1.381 20 0 DDADRL CC(C)N(CC(=O)[O-])C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000820009601 598075486 /nfs/dbraw/zinc/07/54/86/598075486.db2.gz PAJGGWGTMDQDBC-UHFFFAOYSA-N -2 0 321.308 1.652 20 0 DDADRL O=C([O-])[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000739545756 599727319 /nfs/dbraw/zinc/72/73/19/599727319.db2.gz BSPYIVSAIAOAKN-STQMWFEESA-N -2 0 319.338 1.365 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-])s1 ZINC000738653520 599797115 /nfs/dbraw/zinc/79/71/15/599797115.db2.gz WZJULXZFLNXOFL-UHFFFAOYSA-N -2 0 323.417 1.069 20 0 DDADRL Cc1cccc(S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-])c1 ZINC000738746408 599797127 /nfs/dbraw/zinc/79/71/27/599797127.db2.gz ZGCDEWLENIVFNP-UHFFFAOYSA-N -2 0 317.388 1.008 20 0 DDADRL O=C([O-])CCCCNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000739671083 599809273 /nfs/dbraw/zinc/80/92/73/599809273.db2.gz MVJZFHIZOAQKSO-UHFFFAOYSA-N -2 0 321.308 1.702 20 0 DDADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccsc1C(=O)[O-] ZINC000035306366 599873344 /nfs/dbraw/zinc/87/33/44/599873344.db2.gz GYKZHWHLSRJZGO-UHFFFAOYSA-N -2 0 302.333 1.852 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1C(=O)[O-] ZINC000738632942 600229324 /nfs/dbraw/zinc/22/93/24/600229324.db2.gz QODLAUMHABZPIG-UHFFFAOYSA-N -2 0 309.347 1.834 20 0 DDADRL CCC/C=C/C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736971857 600272758 /nfs/dbraw/zinc/27/27/58/600272758.db2.gz CNYQIUNGWUKFKU-SNAWJCMRSA-N -2 0 303.361 1.608 20 0 DDADRL CC(C)Cc1n[n-]c(=NC(=O)NCc2ccc(C(=O)[O-])o2)s1 ZINC000388632167 600539377 /nfs/dbraw/zinc/53/93/77/600539377.db2.gz ATMDEMCGZIEHAO-UHFFFAOYSA-N -2 0 324.362 1.771 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnn(CC2CC2)c1 ZINC000833334905 600691398 /nfs/dbraw/zinc/69/13/98/600691398.db2.gz KDQBLDGWPRJBGG-UHFFFAOYSA-N -2 0 321.358 1.792 20 0 DDADRL CN(C)c1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000037508958 600979560 /nfs/dbraw/zinc/97/95/60/600979560.db2.gz GZMJWXZVTYEYCN-UHFFFAOYSA-N -2 0 309.347 1.580 20 0 DDADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)C2CCCCC2)C1 ZINC000833184269 601238633 /nfs/dbraw/zinc/23/86/33/601238633.db2.gz PCGLKPRQBYAMFQ-GHMZBOCLSA-N -2 0 317.407 1.656 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cn1 ZINC000032630718 601322883 /nfs/dbraw/zinc/32/28/83/601322883.db2.gz GKAGZHUFGMRRIN-QPJJXVBHSA-N -2 0 307.331 1.319 20 0 DDADRL COc1ccc(-n2cc([O-])c(C(=O)NCCCC(=O)[O-])n2)cc1 ZINC000820805141 601385521 /nfs/dbraw/zinc/38/55/21/601385521.db2.gz JVCPERLIRMGJCS-UHFFFAOYSA-N -2 0 319.317 1.181 20 0 DDADRL CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1F ZINC000828672329 601479802 /nfs/dbraw/zinc/47/98/02/601479802.db2.gz PYKOIYIDXOGMCI-LBPRGKRZSA-N -2 0 307.318 1.887 20 0 DDADRL C[C@@H]1CN(C(=O)CSc2n[n-]c(=S)s2)C[C@@H]1C(=O)[O-] ZINC000828340520 601759457 /nfs/dbraw/zinc/75/94/57/601759457.db2.gz IZRKCBIGGVAPNE-RITPCOANSA-N -2 0 319.433 1.098 20 0 DDADRL CC(C)c1nc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)c[nH]1 ZINC000827152449 601783198 /nfs/dbraw/zinc/78/31/98/601783198.db2.gz HBVRBYMNBFGBGN-UHFFFAOYSA-N -2 0 312.351 1.371 20 0 DDADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1cccnc1Cl ZINC000833346396 602156451 /nfs/dbraw/zinc/15/64/51/602156451.db2.gz JNTFIXRIQHCRIK-UHFFFAOYSA-N -2 0 319.751 1.691 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-])c(F)cc1F ZINC000832902798 602198783 /nfs/dbraw/zinc/19/87/83/602198783.db2.gz IQSYGHRJIDOUSG-ZETCQYMHSA-N -2 0 321.301 1.189 20 0 DDADRL CCCC1(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000829231566 602254321 /nfs/dbraw/zinc/25/43/21/602254321.db2.gz XQOHFURGLDPNHM-UHFFFAOYSA-N -2 0 311.359 1.770 20 0 DDADRL O=C([O-])N1CCC[C@@H]1C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000740462025 602326020 /nfs/dbraw/zinc/32/60/20/602326020.db2.gz ZOZSFXWHCIUSOH-SNVBAGLBSA-N -2 0 318.289 1.111 20 0 DDADRL CCC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)CC(CC)CC ZINC000739320371 602748382 /nfs/dbraw/zinc/74/83/82/602748382.db2.gz OOMGGQFVJURNGD-JTQLQIEISA-N -2 0 308.400 1.305 20 0 DDADRL C[C@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1 ZINC000825449792 603400872 /nfs/dbraw/zinc/40/08/72/603400872.db2.gz ZOAWKTHZSHXNSB-QMMMGPOBSA-N -2 0 310.335 1.539 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])c1 ZINC000827707036 603631324 /nfs/dbraw/zinc/63/13/24/603631324.db2.gz OPKVEVNZLLLPEI-UHFFFAOYSA-N -2 0 310.335 1.794 20 0 DDADRL Cc1c(NC(=O)C(=O)[N-]OCC(F)(F)F)cccc1C(=O)[O-] ZINC000832857659 604424759 /nfs/dbraw/zinc/42/47/59/604424759.db2.gz ULTIXAAZLNFDCW-UHFFFAOYSA-N -2 0 320.223 1.242 20 0 DDADRL Cc1noc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1C ZINC000833022323 604773605 /nfs/dbraw/zinc/77/36/05/604773605.db2.gz GWOASBIWNWSVMT-UHFFFAOYSA-N -2 0 303.321 1.247 20 0 DDADRL C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000833601624 605188378 /nfs/dbraw/zinc/18/83/78/605188378.db2.gz NABVJFCYFKEPHJ-VHSXEESVSA-N -2 0 311.359 1.626 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])C1 ZINC000834060777 605310193 /nfs/dbraw/zinc/31/01/93/605310193.db2.gz WBJRMWONJCVJBB-SRVKXCTJSA-N -2 0 312.366 1.526 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1noc(C2CC2)n1 ZINC000833748116 605486384 /nfs/dbraw/zinc/48/63/84/605486384.db2.gz SEVMPVLUIJQOPT-UHFFFAOYSA-N -2 0 323.330 1.754 20 0 DDADRL CC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833639030 605676375 /nfs/dbraw/zinc/67/63/75/605676375.db2.gz QQTQZCSDHWTMMH-HTQZYQBOSA-N -2 0 319.404 1.933 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])cc1 ZINC000834065301 605689996 /nfs/dbraw/zinc/68/99/96/605689996.db2.gz JYBZYPOCKHNVIQ-NWDGAFQWSA-N -2 0 322.317 1.525 20 0 DDADRL O=C([O-])N1CCO[C@@H](C(=O)Nc2ccc3[n-]c(=S)oc3c2)C1 ZINC000831778812 605757287 /nfs/dbraw/zinc/75/72/87/605757287.db2.gz VCEYESDBTYCXEA-SNVBAGLBSA-N -2 0 323.330 1.434 20 0 DDADRL O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000831779112 605797482 /nfs/dbraw/zinc/79/74/82/605797482.db2.gz ZTIDGYJQYUKFHJ-VXNVDRBHSA-N -2 0 323.330 1.168 20 0 DDADRL COc1ccc(C(=O)N(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)c(O)c1 ZINC000829276548 605868793 /nfs/dbraw/zinc/86/87/93/605868793.db2.gz IVSZAXOGVHRZDK-LLVKDONJSA-N -2 0 320.345 1.758 20 0 DDADRL O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000834187751 605956417 /nfs/dbraw/zinc/95/64/17/605956417.db2.gz ZCTIJLFUHGSVHN-RKDXNWHRSA-N -2 0 312.326 1.160 20 0 DDADRL O=C([O-])Cc1csc(NC(=O)C[C@H]2CCCN2C(=O)[O-])n1 ZINC000834066981 606027771 /nfs/dbraw/zinc/02/77/71/606027771.db2.gz CHWMHIVUALHCKX-MRVPVSSYSA-N -2 0 313.335 1.241 20 0 DDADRL O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000834060453 606029615 /nfs/dbraw/zinc/02/96/15/606029615.db2.gz ZQINNQAZNZVTQN-QWHCGFSZSA-N -2 0 320.345 1.331 20 0 DDADRL O=C([O-])NC[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000834203779 606030370 /nfs/dbraw/zinc/03/03/70/606030370.db2.gz ANIDYJSVQMNMBA-CYBMUJFWSA-N -2 0 320.345 1.361 20 0 DDADRL C[C@H](C(=O)[O-])N(C)C(=O)C[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000833792018 606050815 /nfs/dbraw/zinc/05/08/15/606050815.db2.gz XVTPICUAMCFYPJ-PWSUYJOCSA-N -2 0 308.334 1.187 20 0 DDADRL O=C([O-])Cc1ccccc1NC(=O)CN(CC1CC1)C(=O)[O-] ZINC000834069287 606052426 /nfs/dbraw/zinc/05/24/26/606052426.db2.gz RCQOMYFOYVFWAW-UHFFFAOYSA-N -2 0 306.318 1.642 20 0 DDADRL O=C([O-])/C=C/c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000834059475 606054955 /nfs/dbraw/zinc/05/49/55/606054955.db2.gz BUPZVEPQOKVCQO-ZCRIDZFUSA-N -2 0 304.302 1.865 20 0 DDADRL O=C([O-])/C=C\c1ccc(NC(=O)[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000834061065 606055748 /nfs/dbraw/zinc/05/57/48/606055748.db2.gz NURXNJLSERMAIH-UUSYTGMJSA-N -2 0 304.302 1.723 20 0 DDADRL O=C([O-])c1cc(Cl)cc(NC(=O)[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000834283628 606064599 /nfs/dbraw/zinc/06/45/99/606064599.db2.gz RVKJVBXYSYVESU-ZETCQYMHSA-N -2 0 312.709 1.977 20 0 DDADRL O=C([O-])Nc1ccc(CC(=O)N[C@]2(C(=O)[O-])CCSC2)cc1 ZINC000834256817 606068721 /nfs/dbraw/zinc/06/87/21/606068721.db2.gz UFDMHOGNQMOAOR-CQSZACIVSA-N -2 0 324.358 1.396 20 0 DDADRL O=C([O-])C[C@@H](NC(=O)CNC(=O)[O-])c1cccc(Cl)c1 ZINC000834061652 606069269 /nfs/dbraw/zinc/06/92/69/606069269.db2.gz XRQRBHJUCGOMSX-SECBINFHSA-N -2 0 300.698 1.240 20 0 DDADRL Cc1cc(C(=O)Nc2ccc(F)nc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000178597382 697426422 /nfs/dbraw/zinc/42/64/22/697426422.db2.gz MYJMUJQSRCUQLN-UHFFFAOYSA-N -2 0 315.264 1.119 20 0 DDADRL Cn1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1C1CC1 ZINC000769867490 701259776 /nfs/dbraw/zinc/25/97/76/701259776.db2.gz FAQAYFNFGQDQBF-UHFFFAOYSA-N -2 0 321.358 1.797 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])CC2(C)C)cc1 ZINC000863951499 706044627 /nfs/dbraw/zinc/04/46/27/706044627.db2.gz JTJDGUCPJAMFHC-AWEZNQCLSA-N -2 0 311.359 1.301 20 0 DDADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000863953802 706045621 /nfs/dbraw/zinc/04/56/21/706045621.db2.gz ZCYYULIFVYYPHM-NSHDSACASA-N -2 0 313.375 1.380 20 0 DDADRL Cc1ncc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)s1 ZINC000863959769 706046472 /nfs/dbraw/zinc/04/64/72/706046472.db2.gz BRWKOUCXMQGDJF-MRVPVSSYSA-N -2 0 320.392 1.003 20 0 DDADRL Cc1ccccc1CS(=O)(=O)[N-]C(=O)CCCCC(=O)[O-] ZINC000863962187 706046983 /nfs/dbraw/zinc/04/69/83/706046983.db2.gz YVWJYRHANUYMFG-UHFFFAOYSA-N -2 0 313.375 1.586 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)CCC1CCCCC1 ZINC000863963475 706047460 /nfs/dbraw/zinc/04/74/60/706047460.db2.gz XUFSLKSRDQBAHI-LBPRGKRZSA-N -2 0 319.423 1.760 20 0 DDADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000863964523 706047818 /nfs/dbraw/zinc/04/78/18/706047818.db2.gz VQZJTEDTWILQOJ-MAGOMRGPSA-N -2 0 315.391 1.122 20 0 DDADRL Cc1cc(S(=O)(=O)NCC[C@@H]2CCCS2)oc1C(=O)[O-] ZINC000871997339 707274860 /nfs/dbraw/zinc/27/48/60/707274860.db2.gz OXNPRDAYZDRXDY-VIFPVBQESA-N -2 0 319.404 1.850 20 0 DDADRL C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc(Cl)c2[O-])C1 ZINC000864495914 706182072 /nfs/dbraw/zinc/18/20/72/706182072.db2.gz NCBMEXVGSHJEQD-LBPRGKRZSA-N -2 0 319.766 1.531 20 0 DDADRL O=C([O-])c1cccc(C(=O)n2[n-]c3c(c2=O)CSCC3)c1 ZINC000871962976 707257154 /nfs/dbraw/zinc/25/71/54/707257154.db2.gz KCSFHPWMMIYIHV-SNVBAGLBSA-N -2 0 304.327 1.476 20 0 DDADRL Cc1sc([C@H](C)[N-]S(=O)(=O)C(F)F)nc1C(=O)[O-] ZINC000899951119 709247897 /nfs/dbraw/zinc/24/78/97/709247897.db2.gz VGJUDAWZYPDENM-VKHMYHEASA-N -2 0 300.308 1.353 20 0 DDADRL C[C@@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccccc1 ZINC000910183066 709801091 /nfs/dbraw/zinc/80/10/91/709801091.db2.gz KQRDGWZTSDWYEW-WXHSDQCUSA-N -2 0 305.330 1.567 20 0 DDADRL C[C@H]1C[C@H](C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])C[C@@H](C)C1 ZINC000910183539 709801214 /nfs/dbraw/zinc/80/12/14/709801214.db2.gz MHAXUJNWMDUYGS-RXGFPQBGSA-N -2 0 311.378 1.835 20 0 DDADRL CCc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])s1 ZINC000910189175 709803900 /nfs/dbraw/zinc/80/39/00/709803900.db2.gz QVCCHJJBBUCLKJ-WCBMZHEXSA-N -2 0 311.359 1.701 20 0 DDADRL CCCCS[C@H](C)C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910189847 709804625 /nfs/dbraw/zinc/80/46/25/709804625.db2.gz VJPJEKHUHSBREN-GMTAPVOTSA-N -2 0 317.407 1.685 20 0 DDADRL C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccsc1 ZINC000910192503 709805721 /nfs/dbraw/zinc/80/57/21/709805721.db2.gz SANPKIAAWNVSQE-NGZCFLSTSA-N -2 0 311.359 1.628 20 0 DDADRL CCc1cc(=O)[nH]c(CN[C@H](C(=O)[O-])c2ccccc2F)n1 ZINC000905378700 712021151 /nfs/dbraw/zinc/02/11/51/712021151.db2.gz OHNRKHDITLKCMN-AWEZNQCLSA-N -2 0 305.309 1.799 20 0 DDADRL C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000907732120 712619815 /nfs/dbraw/zinc/61/98/15/712619815.db2.gz RJTIKXJTBWFFTP-PTEOKISQSA-N -2 0 309.362 1.445 20 0 DDADRL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1occc1Br ZINC000926452250 715068701 /nfs/dbraw/zinc/06/87/01/715068701.db2.gz CKLRZGGITKJYLQ-RXMQYKEDSA-N -2 0 312.141 1.184 20 0 DDADRL O=C(CCc1cccc2cnccc21)NCCOP(=O)([O-])[O-] ZINC001182402638 743600789 /nfs/dbraw/zinc/60/07/89/743600789.db2.gz DOKVNQSQJSUFNT-UHFFFAOYSA-N -2 0 324.273 1.393 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)N[C@@H]2[CH]CC=C2)ccc1Cl ZINC001188342903 744692820 /nfs/dbraw/zinc/69/28/20/744692820.db2.gz QGIPVMJKCQRNCH-QMMMGPOBSA-N -2 0 300.743 1.849 20 0 DDADRL COC(=O)c1cc(O)c(F)cc1NC(=O)c1ccncc1[O-] ZINC001188637232 744743705 /nfs/dbraw/zinc/74/37/05/744743705.db2.gz QGAFWXYAGSMWBN-UHFFFAOYSA-N -2 0 306.249 1.671 20 0 DDADRL N#CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193284234 746047081 /nfs/dbraw/zinc/04/70/81/746047081.db2.gz PSROISRMAAWGBW-UHFFFAOYSA-N -2 0 317.326 1.404 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cc(Cl)c(Cl)s1 ZINC001195179755 746539193 /nfs/dbraw/zinc/53/91/93/746539193.db2.gz MXPDSEJBPXJGFQ-UHFFFAOYSA-N -2 0 320.090 1.894 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1ccc2c(c1)CCCC2=O ZINC001198915993 747649376 /nfs/dbraw/zinc/64/93/76/747649376.db2.gz MLZXEBMTMWMVIO-UHFFFAOYSA-N -2 0 313.246 1.045 20 0 DDADRL N=C(Nc1ccc(P(=O)([O-])[O-])cc1)c1cccnc1Cl ZINC001171351850 773742391 /nfs/dbraw/zinc/74/23/91/773742391.db2.gz NTXHSUYGRRBCJX-UHFFFAOYSA-N -2 0 311.665 1.975 20 0 DDADRL O=C([O-])c1cc(Nc2noc3nccnc23)cc(C(=O)[O-])c1 ZINC001176238991 778090258 /nfs/dbraw/zinc/09/02/58/778090258.db2.gz NEAPTAVTNWFMFM-UHFFFAOYSA-N -2 0 300.230 1.758 20 0 DDADRL Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(Cl)c1 ZINC001225344441 881787720 /nfs/dbraw/zinc/78/77/20/881787720.db2.gz IFUXDNHTEZVHLW-HQJQHLMTSA-N -2 0 316.693 1.090 20 0 DDADRL Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1Cl ZINC001225864190 882074589 /nfs/dbraw/zinc/07/45/89/882074589.db2.gz XAQFIZAIIUQDHW-GZMMTYOYSA-N -2 0 316.693 1.090 20 0 DDADRL Cc1cccc(Cl)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001226389009 882401622 /nfs/dbraw/zinc/40/16/22/882401622.db2.gz UBTVIWPQSLRTFG-OIBJUYFYSA-N -2 0 316.693 1.090 20 0 DDADRL Cc1cc(C)c(C)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001227505469 883051404 /nfs/dbraw/zinc/05/14/04/883051404.db2.gz FCKHHADQUFTIPD-GXFFZTMASA-N -2 0 310.302 1.054 20 0 DDADRL Cc1nn(C)cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000318302693 879989397 /nfs/dbraw/zinc/98/93/97/879989397.db2.gz MXSAGEXWCRUJKV-UHFFFAOYSA-N -2 0 323.374 1.547 20 0 DDADRL Cc1cc(C)c(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(C)c1 ZINC001222900190 880739319 /nfs/dbraw/zinc/73/93/19/880739319.db2.gz LOEUFSNDQPLTIC-RISCZKNCSA-N -2 0 324.329 1.191 20 0 DDADRL CC(C)c1cccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001223949051 881157730 /nfs/dbraw/zinc/15/77/30/881157730.db2.gz RROWFMMVGQQFQH-TZMCWYRMSA-N -2 0 324.329 1.390 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3ncnn3c2F)c1 ZINC001242164136 891358096 /nfs/dbraw/zinc/35/80/96/891358096.db2.gz DOJSEYBDSIKTQK-UHFFFAOYSA-N -2 0 301.233 1.932 20 0 DDADRL CN(C)C(=O)c1cc(-c2ccc(P(=O)([O-])[O-])cc2)ccc1F ZINC001243291897 891634182 /nfs/dbraw/zinc/63/41/82/891634182.db2.gz IBTZJBCIUHAQFP-UHFFFAOYSA-N -2 0 323.260 1.998 20 0 DDADRL O=c1cc(-c2cnccn2)[n-]n1-c1ccccc1S(=O)(=O)[O-] ZINC001245931950 892273380 /nfs/dbraw/zinc/27/33/80/892273380.db2.gz LBIXQUIUFWWUFP-UHFFFAOYSA-N -2 0 318.314 1.282 20 0 DDADRL C[C@H]1C[C@H]1c1nnc(-c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)o1 ZINC001256746559 897568220 /nfs/dbraw/zinc/56/82/20/897568220.db2.gz HTUYVVYNTVCFLC-QUBYGPBYSA-N -2 0 324.314 1.805 20 0 DDADRL O=c1cc(NS(=O)(=O)c2cc(F)ccc2F)[nH]c(=S)[nH]1 ZINC001258941831 898369089 /nfs/dbraw/zinc/36/90/89/898369089.db2.gz DBZPYIUHRVDEEX-UHFFFAOYSA-N -2 0 319.314 1.550 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ncccc2CCO)c1 ZINC001260185218 899077979 /nfs/dbraw/zinc/07/79/79/899077979.db2.gz XDZDIHMVBZTAFF-UHFFFAOYSA-N -2 0 322.342 1.115 20 0 DDADRL O=C([O-])[C@H]1CCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000563583156 303960983 /nfs/dbraw/zinc/96/09/83/303960983.db2.gz VCOCUFMAXLIJAD-ZETCQYMHSA-N -2 0 324.387 1.627 20 0 DDADRL CC[C@@H](C[N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000087499032 185226963 /nfs/dbraw/zinc/22/69/63/185226963.db2.gz MQMNHXKZKJQIJP-LURJTMIESA-N -2 0 311.281 1.493 20 0 DDADRL CCc1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cn1 ZINC000446993448 529758942 /nfs/dbraw/zinc/75/89/42/529758942.db2.gz IJAJPJQSDMYQQV-UHFFFAOYSA-N -2 0 321.358 1.846 20 0 DDADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1 ZINC000358555650 299196753 /nfs/dbraw/zinc/19/67/53/299196753.db2.gz NQCIXGDIESNQQP-UHFFFAOYSA-N -2 0 321.358 1.780 20 0 DDADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c1 ZINC000358567137 299200106 /nfs/dbraw/zinc/20/01/06/299200106.db2.gz NXQCVLPJBYAWAI-UHFFFAOYSA-N -2 0 321.358 1.780 20 0 DDADRL COCc1n[n-]c(=NCCc2ccc(C(=O)[O-])cc2OC)s1 ZINC000567985273 304258852 /nfs/dbraw/zinc/25/88/52/304258852.db2.gz RFZTXWYLOQCFFC-UHFFFAOYSA-N -2 0 323.374 1.468 20 0 DDADRL C[C@]1(C(=O)[O-])CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000263377256 408124894 /nfs/dbraw/zinc/12/48/94/408124894.db2.gz OLMGCCPLGRXNIP-HNNXBMFYSA-N -2 0 306.318 1.391 20 0 DDADRL CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(O)ccc2Cl)C1=O ZINC000289332713 409250804 /nfs/dbraw/zinc/25/08/04/409250804.db2.gz HXNIBFREIMKQEZ-CYBMUJFWSA-N -2 0 311.725 1.411 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)nn1C ZINC000314884638 164017165 /nfs/dbraw/zinc/01/71/65/164017165.db2.gz GEGPBFVVBOKBDL-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL COc1ccc([O-])c(C(=O)N=c2nc([C@H](C)OC)[n-]s2)c1 ZINC000436580525 420341916 /nfs/dbraw/zinc/34/19/16/420341916.db2.gz BPHPPOZSPYOCRX-ZETCQYMHSA-N -2 0 309.347 1.634 20 0 DDADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cccc(O)c2)c1 ZINC000436705291 420359049 /nfs/dbraw/zinc/35/90/49/420359049.db2.gz MKGQRGJGVCQMIU-UHFFFAOYSA-N -2 0 309.299 1.597 20 0 DDADRL C[C@H](CN(C)S(=O)(=O)c1cccc(Cl)c1[O-])C(=O)[O-] ZINC000630443609 422106117 /nfs/dbraw/zinc/10/61/17/422106117.db2.gz CUZPBYJNXUDADS-SSDOTTSWSA-N -2 0 307.755 1.387 20 0 DDADRL O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2[O-])C1 ZINC000630443479 422106429 /nfs/dbraw/zinc/10/64/29/422106429.db2.gz XTXGZNOGLKKQSZ-MRVPVSSYSA-N -2 0 319.766 1.531 20 0 DDADRL COc1cc(C(=O)[O-])ccc1-n1[n-]c2c(c1=O)CSCC2 ZINC000634612208 422506865 /nfs/dbraw/zinc/50/68/65/422506865.db2.gz ROHFXTNGWBBBMF-SECBINFHSA-N -2 0 306.343 1.849 20 0 DDADRL COCCc1nc(=NC[C@@H](Cc2ccccc2)C(=O)[O-])s[n-]1 ZINC000578016288 422476547 /nfs/dbraw/zinc/47/65/47/422476547.db2.gz RGWMYVSFUVVYEE-GFCCVEGCSA-N -2 0 321.402 1.504 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC000653280692 423416911 /nfs/dbraw/zinc/41/69/11/423416911.db2.gz FFQSDARPSCCDEW-JTQLQIEISA-N -2 0 306.318 1.497 20 0 DDADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000659763134 424233317 /nfs/dbraw/zinc/23/33/17/424233317.db2.gz CKWSZAMEQITNBS-ZYHUDNBSSA-N -2 0 321.329 1.333 20 0 DDADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000263341049 297213912 /nfs/dbraw/zinc/21/39/12/297213912.db2.gz NMLRTJNKKKMIHR-QTAHKJALSA-N -2 0 312.366 1.382 20 0 DDADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H](C)C(=O)[O-])n1 ZINC000573564573 304601537 /nfs/dbraw/zinc/60/15/37/304601537.db2.gz XAVLZKIONZEWRI-VIFPVBQESA-N -2 0 303.318 1.343 20 0 DDADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H](C)CC(=O)[O-])n1 ZINC000427685208 301308812 /nfs/dbraw/zinc/30/88/12/301308812.db2.gz LJRCHZWFHVVGHB-VIFPVBQESA-N -2 0 321.308 1.618 20 0 DDADRL Cc1ccc(F)c([N-]S(=O)(=O)c2cn(C)cn2)c1C(=O)[O-] ZINC000532279116 303281272 /nfs/dbraw/zinc/28/12/72/303281272.db2.gz COVKCFQYMRLIAC-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccsc1 ZINC000547611738 307740890 /nfs/dbraw/zinc/74/08/90/307740890.db2.gz GUXZIIYEZCYIQV-IYSWYEEDSA-N -2 0 317.310 1.744 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cncn1CC ZINC000547614492 307741053 /nfs/dbraw/zinc/74/10/53/307741053.db2.gz VYSYBWBTPPGXMA-UHFFFAOYSA-N -2 0 323.374 1.964 20 0 DDADRL CO[C@H](C)c1nc(=N[C@H](C)c2ncc(C(=O)[O-])s2)s[n-]1 ZINC000575320305 308274555 /nfs/dbraw/zinc/27/45/55/308274555.db2.gz PUCSRURFIKPTFI-PHDIDXHHSA-N -2 0 314.392 1.995 20 0 DDADRL C[C@H](CC[N-]S(=O)(=O)c1c(F)cccc1F)CC(=O)[O-] ZINC000392835453 337066337 /nfs/dbraw/zinc/06/63/37/337066337.db2.gz KOYIGXDSDPAFFC-MRVPVSSYSA-N -2 0 307.318 1.744 20 0 DDADRL C[C@@H](NC(=O)[C@H](C(=O)[O-])C(C)(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000663121189 484685356 /nfs/dbraw/zinc/68/53/56/484685356.db2.gz GYYQQPFAHGHSQI-LMLFDSFASA-N -2 0 313.394 1.985 20 0 DDADRL CC(C)n1cc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cn1 ZINC000817996074 597314424 /nfs/dbraw/zinc/31/44/24/597314424.db2.gz ABWJCNBWWJEIMJ-UHFFFAOYSA-N -2 0 323.374 1.892 20 0 DDADRL CCn1nccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000830450393 600976586 /nfs/dbraw/zinc/97/65/86/600976586.db2.gz AKVYAEMYUUWGSH-UHFFFAOYSA-N -2 0 301.349 1.464 20 0 DDADRL CCn1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000737312941 600054437 /nfs/dbraw/zinc/05/44/37/600054437.db2.gz WQMPTZMMPUPWQE-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cc1 ZINC000738038269 600229386 /nfs/dbraw/zinc/22/93/86/600229386.db2.gz DAZSGIYJTYOANN-UHFFFAOYSA-N -2 0 311.319 1.226 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cc1 ZINC000736965415 600520307 /nfs/dbraw/zinc/52/03/07/600520307.db2.gz QQCJXNHIHZHDJM-JTQLQIEISA-N -2 0 313.375 1.881 20 0 DDADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2cccc(Cl)c2)cn1 ZINC000038030442 600530181 /nfs/dbraw/zinc/53/01/81/600530181.db2.gz GPNRAGVCKWPQDU-UHFFFAOYSA-N -2 0 315.738 1.422 20 0 DDADRL Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnccc1C(=O)[O-] ZINC000319795534 600756573 /nfs/dbraw/zinc/75/65/73/600756573.db2.gz SYMIIJJCCCNSHR-UHFFFAOYSA-N -2 0 317.326 1.761 20 0 DDADRL Cc1ccc(-n2[n-]c(C(=O)NC(C)(C)C(=O)[O-])cc2=O)cc1 ZINC000738250830 600888195 /nfs/dbraw/zinc/88/81/95/600888195.db2.gz RGQOKEMJDNKIPG-UHFFFAOYSA-N -2 0 303.318 1.067 20 0 DDADRL Cc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])o1 ZINC000832924622 600946997 /nfs/dbraw/zinc/94/69/97/600946997.db2.gz SEBDOJGCKSMSHW-VIFPVBQESA-N -2 0 303.336 1.002 20 0 DDADRL COc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c1 ZINC000124119064 600981721 /nfs/dbraw/zinc/98/17/21/600981721.db2.gz SVGJRQSBHUURIV-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL O=C([O-])CCCCNC(=O)CSc1n[n-]c(=S)s1 ZINC000821517299 601198376 /nfs/dbraw/zinc/19/83/76/601198376.db2.gz DVQPOAUJZAZBJW-UHFFFAOYSA-N -2 0 307.422 1.290 20 0 DDADRL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000826008198 601206607 /nfs/dbraw/zinc/20/66/07/601206607.db2.gz GKQZSXDZFANYFC-SECBINFHSA-N -2 0 311.359 1.377 20 0 DDADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cccs2)C1 ZINC000833183184 601235832 /nfs/dbraw/zinc/23/58/32/601235832.db2.gz AHRSSLOLCJGUJL-RKDXNWHRSA-N -2 0 317.388 1.444 20 0 DDADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000832654131 601334079 /nfs/dbraw/zinc/33/40/79/601334079.db2.gz JAMNNMXNHKORFK-UHFFFAOYSA-N -2 0 312.303 1.491 20 0 DDADRL CN(CCCC(=O)[O-])C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000830768375 601387944 /nfs/dbraw/zinc/38/79/44/601387944.db2.gz QBRPGQDAQAXERY-UHFFFAOYSA-N -2 0 321.308 1.654 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-])c(C)s1 ZINC000832903188 602187696 /nfs/dbraw/zinc/18/76/96/602187696.db2.gz PXLVMGUILKCMPK-ZCFIWIBFSA-N -2 0 305.377 1.281 20 0 DDADRL COCCS(=O)(=O)[N-]c1cc(OC)ccc1NC(=O)[O-] ZINC000739839499 602456471 /nfs/dbraw/zinc/45/64/71/602456471.db2.gz XIDMNKXFRKTJOL-UHFFFAOYSA-N -2 0 304.324 1.173 20 0 DDADRL CCN(CC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000739395583 602779710 /nfs/dbraw/zinc/77/97/10/602779710.db2.gz WBGJNAZPZLZENB-JTQLQIEISA-N -2 0 314.363 1.194 20 0 DDADRL CC(C)[C@H](CNC(=O)c1c([O-])cc(F)cc1F)NC(=O)[O-] ZINC000738780945 602810230 /nfs/dbraw/zinc/81/02/30/602810230.db2.gz CDOJRIZJTHHGNX-VIFPVBQESA-N -2 0 302.277 1.692 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)NC(=O)[O-] ZINC000736900390 602997487 /nfs/dbraw/zinc/99/74/87/602997487.db2.gz QIZNCHLUZXSVKI-SNVBAGLBSA-N -2 0 308.400 1.303 20 0 DDADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccccc1NC(=O)[O-] ZINC000740246560 603151979 /nfs/dbraw/zinc/15/19/79/603151979.db2.gz PKHQYMGMLABSJB-UHFFFAOYSA-N -2 0 324.362 1.928 20 0 DDADRL CN(CCCNC(=O)[O-])C(=O)CSc1n[n-]c(=S)s1 ZINC000828297532 603492457 /nfs/dbraw/zinc/49/24/57/603492457.db2.gz BISWFYLVJCRYOR-UHFFFAOYSA-N -2 0 322.437 1.035 20 0 DDADRL CN(C(=O)[O-])[C@H]1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000827872200 603523148 /nfs/dbraw/zinc/52/31/48/603523148.db2.gz XVNHHHFKUODXBT-VIFPVBQESA-N -2 0 321.358 1.941 20 0 DDADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)NCCNC(=O)[O-])n2)c1 ZINC000830329280 603750960 /nfs/dbraw/zinc/75/09/60/603750960.db2.gz QCAVSYDMCUOAEE-UHFFFAOYSA-N -2 0 322.296 1.023 20 0 DDADRL CC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000827525118 605171519 /nfs/dbraw/zinc/17/15/19/605171519.db2.gz XGZBLJICEUHSSY-IQQGHNRFSA-N -2 0 312.347 1.150 20 0 DDADRL C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000833602198 605188250 /nfs/dbraw/zinc/18/82/50/605188250.db2.gz PWUBLROLOBCEPC-HTQZYQBOSA-N -2 0 317.388 1.687 20 0 DDADRL CCc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)no1 ZINC000833676100 605305619 /nfs/dbraw/zinc/30/56/19/605305619.db2.gz ZNSSVLNRUUBEPC-UHFFFAOYSA-N -2 0 315.282 1.270 20 0 DDADRL Cc1oc(-c2ccco2)nc1CC(=O)[N-]OC[C@H](C)NC(=O)[O-] ZINC000833934464 605402296 /nfs/dbraw/zinc/40/22/96/605402296.db2.gz AJEIYBMRJVLHIE-QMMMGPOBSA-N -2 0 323.305 1.489 20 0 DDADRL C[C@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000833610049 605486274 /nfs/dbraw/zinc/48/62/74/605486274.db2.gz VIJYZCSRHDAYLT-JOYOIKCWSA-N -2 0 311.359 1.626 20 0 DDADRL CC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833639032 605676269 /nfs/dbraw/zinc/67/62/69/605676269.db2.gz QQTQZCSDHWTMMH-SFYZADRCSA-N -2 0 319.404 1.933 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])cc1 ZINC000834065303 605689787 /nfs/dbraw/zinc/68/97/87/605689787.db2.gz JYBZYPOCKHNVIQ-VXGBXAGGSA-N -2 0 322.317 1.525 20 0 DDADRL O=C([O-])Cc1csc(NC(=O)C2(NC(=O)[O-])CCCC2)n1 ZINC000834068162 606028126 /nfs/dbraw/zinc/02/81/26/606028126.db2.gz KMDKLPCUOJERLZ-UHFFFAOYSA-N -2 0 313.335 1.289 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000834168806 606028432 /nfs/dbraw/zinc/02/84/32/606028432.db2.gz IETTWSZRZKUSHR-VXGBXAGGSA-N -2 0 306.318 1.437 20 0 DDADRL O=C([O-])CCCCCCNC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000834059140 606056625 /nfs/dbraw/zinc/05/66/25/606056625.db2.gz HEXINPKJSMWOKW-NSHDSACASA-N -2 0 300.355 1.670 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000834283376 606057901 /nfs/dbraw/zinc/05/79/01/606057901.db2.gz NZXOWTKPUWICDR-GFCCVEGCSA-N -2 0 306.318 1.391 20 0 DDADRL CCCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cn1 ZINC000743261397 699905045 /nfs/dbraw/zinc/90/50/45/699905045.db2.gz DUPMMEYWEMPJIA-UHFFFAOYSA-N -2 0 312.351 1.131 20 0 DDADRL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)[C@H](C)C(F)(F)F ZINC000819090108 704068594 /nfs/dbraw/zinc/06/85/94/704068594.db2.gz RTAWVGSDAGSGLD-PRJMDXOYSA-N -2 0 305.318 1.602 20 0 DDADRL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)[C@@H](C)C(F)(F)F ZINC000819090103 704068597 /nfs/dbraw/zinc/06/85/97/704068597.db2.gz RTAWVGSDAGSGLD-CSMHCCOUSA-N -2 0 305.318 1.602 20 0 DDADRL CN(CCC(=O)[O-])S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000856721660 704535369 /nfs/dbraw/zinc/53/53/69/704535369.db2.gz CTFIIRSIPVHEQA-UHFFFAOYSA-N -2 0 321.738 1.133 20 0 DDADRL C[C@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnn(C)c2)cc1 ZINC000825448657 705673033 /nfs/dbraw/zinc/67/30/33/705673033.db2.gz GRWRXBCQQPDSLZ-VIFPVBQESA-N -2 0 324.362 1.550 20 0 DDADRL Cc1cc(C(=O)[O-])cc(C(=O)[N-]S(=O)(=O)CC2CCC2)c1 ZINC000863956729 706046238 /nfs/dbraw/zinc/04/62/38/706046238.db2.gz GANUKHNVWQOVIX-UHFFFAOYSA-N -2 0 311.359 1.553 20 0 DDADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1sccc1Cl)C1CC1 ZINC000863963326 706047321 /nfs/dbraw/zinc/04/73/21/706047321.db2.gz RZZKYSYKWUKLPH-ZETCQYMHSA-N -2 0 323.779 1.317 20 0 DDADRL C[C@H](Cc1ccsc1)NS(=O)(=O)c1occc1C(=O)[O-] ZINC000871993923 707272945 /nfs/dbraw/zinc/27/29/45/707272945.db2.gz UMYLUDDHEAIFIG-MRVPVSSYSA-N -2 0 315.372 1.949 20 0 DDADRL O=C([O-])c1ccccc1-n1[n-]c2c(c1=O)CC1(CC2)OCCO1 ZINC000887287024 709007788 /nfs/dbraw/zinc/00/77/88/709007788.db2.gz JFZLLQUZFUMBPC-NSHDSACASA-N -2 0 316.313 1.631 20 0 DDADRL O=C([O-])CC1CC(NS(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000899933676 709242005 /nfs/dbraw/zinc/24/20/05/709242005.db2.gz XGDOVCFIDCNBID-UHFFFAOYSA-N -2 0 323.292 1.636 20 0 DDADRL CO[C@H](C)[C@H](NS(=O)(=O)c1sccc1Cl)C(=O)[O-] ZINC000899934274 709242066 /nfs/dbraw/zinc/24/20/66/709242066.db2.gz GFSFMSOATSKLKA-VDTYLAMSSA-N -2 0 313.784 1.168 20 0 DDADRL Cc1scc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1C ZINC000910184362 709801567 /nfs/dbraw/zinc/80/15/67/709801567.db2.gz PTDBPJHEYCZOGL-ONGXEEELSA-N -2 0 311.359 1.755 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=N[C@@H]2CC[C@H](CC(=O)[O-])C2)cc1 ZINC000910396296 709922643 /nfs/dbraw/zinc/92/26/43/709922643.db2.gz GPNGOVBGODFMFO-NWDGAFQWSA-N -2 0 301.350 1.448 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H]1C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000901701765 710125063 /nfs/dbraw/zinc/12/50/63/710125063.db2.gz WLRPYUYYJFADMB-SYQHCUMBSA-N -2 0 317.341 1.424 20 0 DDADRL O=C([O-])c1cn(CC(=O)[N-]OC[C@@H]2CCOC2)c2ccccc12 ZINC000911803239 711001544 /nfs/dbraw/zinc/00/15/44/711001544.db2.gz OJFZKVNGLPUDKQ-LLVKDONJSA-N -2 0 318.329 1.424 20 0 DDADRL Cc1cnc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC001186133657 744348718 /nfs/dbraw/zinc/34/87/18/744348718.db2.gz WBNOPASKQPMFAC-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL Cc1cncc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1 ZINC001186133579 744348727 /nfs/dbraw/zinc/34/87/27/744348727.db2.gz MREBYFVEYSOQKN-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)on1 ZINC001186144100 744349894 /nfs/dbraw/zinc/34/98/94/744349894.db2.gz MJXKHLJSJBBOQQ-UHFFFAOYSA-N -2 0 314.294 1.875 20 0 DDADRL O=C(Nc1cccnc1F)c1ccccc1OP(=O)([O-])[O-] ZINC001189860633 745003792 /nfs/dbraw/zinc/00/37/92/745003792.db2.gz LQOZUOFHGZEBDT-UHFFFAOYSA-N -2 0 312.193 1.945 20 0 DDADRL C[C@H](NC(=O)c1ccccc1OP(=O)([O-])[O-])c1cnccn1 ZINC001189899468 745048487 /nfs/dbraw/zinc/04/84/87/745048487.db2.gz BXKVRECQPJIWMD-VIFPVBQESA-N -2 0 323.245 1.439 20 0 DDADRL O=C([O-])CCC(=O)CNC(=O)c1cc(Cl)nc(Cl)c1[O-] ZINC001193100201 745977287 /nfs/dbraw/zinc/97/72/87/745977287.db2.gz FUBPRTPMDSMFFX-UHFFFAOYSA-N -2 0 321.116 1.258 20 0 DDADRL CC(C)c1nc2[nH]ccc2c(NCCOP(=O)([O-])[O-])n1 ZINC001168589625 751203680 /nfs/dbraw/zinc/20/36/80/751203680.db2.gz KSUWRJARQPDZTE-UHFFFAOYSA-N -2 0 300.255 1.603 20 0 DDADRL COC(=O)/C=C\c1ccc(NCCOP(=O)([O-])[O-])cc1 ZINC001168594867 751257744 /nfs/dbraw/zinc/25/77/44/751257744.db2.gz COUXDSHWSLBRPQ-DAXSKMNVSA-N -2 0 301.235 1.394 20 0 DDADRL O=P([O-])([O-])OCCNC(F)(F)c1ccc(F)c(Cl)n1 ZINC001157787574 766644059 /nfs/dbraw/zinc/64/40/59/766644059.db2.gz NERXJUBMDBBCKD-UHFFFAOYSA-N -2 0 320.591 1.622 20 0 DDADRL O=S(=O)([O-])c1ccc([N-]S(=O)(=O)CC(F)(F)F)cc1 ZINC001253189378 851734728 /nfs/dbraw/zinc/73/47/28/851734728.db2.gz RPVGJNJSQSRSAD-UHFFFAOYSA-N -2 0 319.282 1.237 20 0 DDADRL CC1(C)Cc2c(cccc2C(=O)NCCOP(=O)([O-])[O-])O1 ZINC001155749601 862427557 /nfs/dbraw/zinc/42/75/57/862427557.db2.gz PWDGFUHVGFLTCV-UHFFFAOYSA-N -2 0 315.262 1.239 20 0 DDADRL C[C@H](CCOC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1ccccc1 ZINC001224995457 881629625 /nfs/dbraw/zinc/62/96/25/881629625.db2.gz SBPHMFADVANDHR-OSMZGAPFSA-N -2 0 324.329 1.260 20 0 DDADRL C[C@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1nn(C)cc1[O-] ZINC001158308963 864563678 /nfs/dbraw/zinc/56/36/78/864563678.db2.gz ZTNOSYSRSJKUSO-QMMMGPOBSA-N -2 0 313.317 1.266 20 0 DDADRL CCCN(Cc1n[nH]c(=O)[n-]1)Cc1nc(=O)c2sccc2[n-]1 ZINC001320601862 866874704 /nfs/dbraw/zinc/87/47/04/866874704.db2.gz ISFTZDFCZOLDML-UHFFFAOYSA-N -2 0 320.378 1.633 20 0 DDADRL Nc1nc(=O)c2ccccc2n1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001162896861 867908465 /nfs/dbraw/zinc/90/84/65/867908465.db2.gz SNJKNPYPDRNNSC-UHFFFAOYSA-N -2 0 317.241 1.014 20 0 DDADRL CC(C)(C)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227472027 883033458 /nfs/dbraw/zinc/03/34/58/883033458.db2.gz JSSJPHLSAKSOQI-RNCFNFMXSA-N -2 0 324.329 1.426 20 0 DDADRL CCCc1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001228448435 883504234 /nfs/dbraw/zinc/50/42/34/883504234.db2.gz IQLZWXOHOBMACZ-AAEUAGOBSA-N -2 0 310.302 1.081 20 0 DDADRL O=C([O-])C[C@H](C(=O)Oc1ccc(C2CC2)cc1)[C@H](O)C(=O)[O-] ZINC001230252867 884392036 /nfs/dbraw/zinc/39/20/36/884392036.db2.gz IWRWBURISDKOPN-AAEUAGOBSA-N -2 0 308.286 1.006 20 0 DDADRL CCN(C)c1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ncn1 ZINC001242159292 891353816 /nfs/dbraw/zinc/35/38/16/891353816.db2.gz KZJOPAWGDGOQOZ-UHFFFAOYSA-N -2 0 301.302 1.996 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc3c(cn2)OCC(=O)N3)c1 ZINC001242159786 891353837 /nfs/dbraw/zinc/35/38/37/891353837.db2.gz QYPOAOWBWHWZIU-UHFFFAOYSA-N -2 0 314.253 1.476 20 0 DDADRL COC(=O)c1cnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(C)n1 ZINC001242159113 891354863 /nfs/dbraw/zinc/35/48/63/891354863.db2.gz HGAZHUDIRGEWFL-UHFFFAOYSA-N -2 0 316.269 1.635 20 0 DDADRL Cc1nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc(N(C)C)n1 ZINC001242159453 891354941 /nfs/dbraw/zinc/35/49/41/891354941.db2.gz KZMFAIBLZFIWTF-UHFFFAOYSA-N -2 0 301.302 1.914 20 0 DDADRL Cc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc2c1nnn2C ZINC001242160656 891355979 /nfs/dbraw/zinc/35/59/79/891355979.db2.gz NLWHMIIEFXQHCM-UHFFFAOYSA-N -2 0 312.285 1.735 20 0 DDADRL COc1c(C(=O)[O-])cccc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001242924425 891553144 /nfs/dbraw/zinc/55/31/44/891553144.db2.gz SZPXPGIQEROYSO-UHFFFAOYSA-N -3 0 308.226 1.863 20 0 DDADRL NC(=O)c1c(F)cc(-c2ccc(P(=O)([O-])[O-])cc2)cc1F ZINC001244678987 891890758 /nfs/dbraw/zinc/89/07/58/891890758.db2.gz KGJLWDUFDWEDSZ-UHFFFAOYSA-N -2 0 313.196 1.534 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncco2)c(F)cc1Cl ZINC001259213118 898538912 /nfs/dbraw/zinc/53/89/12/898538912.db2.gz VSDNSTORICULPL-UHFFFAOYSA-N -2 0 320.685 1.966 20 0 DDADRL O=c1[nH][nH]c(=O)c2c([N-]S(=O)(=O)C3CCCC3)cccc12 ZINC001259800826 898811929 /nfs/dbraw/zinc/81/19/29/898811929.db2.gz OBSXKAZWKLZDRJ-UHFFFAOYSA-N -2 0 309.347 1.725 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)nc(C)n1 ZINC001260182674 899075054 /nfs/dbraw/zinc/07/50/54/899075054.db2.gz MGSWJZYXUYBWTD-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL Cc1cnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)nc1C ZINC001260182802 899075404 /nfs/dbraw/zinc/07/54/04/899075404.db2.gz OVVWXCTXDUMCQQ-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccn2)ccc1O ZINC001260392794 899134668 /nfs/dbraw/zinc/13/46/68/899134668.db2.gz BQTJZSURWJIIOR-UHFFFAOYSA-N -2 0 312.278 1.425 20 0 DDADRL Cc1ccc(-n2[n-]c(C(=O)N[C@H](C(=O)[O-])C(C)C)cc2=O)cc1 ZINC000236767214 201999803 /nfs/dbraw/zinc/99/98/03/201999803.db2.gz LTBAAWIUQSMENL-AWEZNQCLSA-N -2 0 317.345 1.313 20 0 DDADRL Cc1cc(F)cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000091509369 193066636 /nfs/dbraw/zinc/06/66/36/193066636.db2.gz DHTPZPMYQRJRKE-UHFFFAOYSA-N -2 0 313.310 1.216 20 0 DDADRL O=C([O-])C1CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])CC1 ZINC000262333496 203264298 /nfs/dbraw/zinc/26/42/98/203264298.db2.gz VMVWPDPBIKGWMI-UHFFFAOYSA-N -2 0 315.329 1.515 20 0 DDADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC000350314146 284181108 /nfs/dbraw/zinc/18/11/08/284181108.db2.gz IGNALLXVQIEUAO-UHFFFAOYSA-N -2 0 313.360 1.631 20 0 DDADRL COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000021008472 248178419 /nfs/dbraw/zinc/17/84/19/248178419.db2.gz FVTBGHZYIAVUPS-UHFFFAOYSA-N -2 0 310.331 1.533 20 0 DDADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]c(C)n1 ZINC000070419049 406815302 /nfs/dbraw/zinc/81/53/02/406815302.db2.gz JCYAVGYWQIFMTQ-UHFFFAOYSA-N -2 0 311.319 1.226 20 0 DDADRL C[C@H](CN(C)C(=O)c1cc(F)c(F)c([O-])c1F)c1nnn[n-]1 ZINC000274770414 408525144 /nfs/dbraw/zinc/52/51/44/408525144.db2.gz LZDWCPVPYPVCKX-RXMQYKEDSA-N -2 0 315.255 1.198 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)nn1C ZINC000314077970 164013115 /nfs/dbraw/zinc/01/31/15/164013115.db2.gz FXWGFZNFAZFFHP-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1 ZINC000342969836 410039847 /nfs/dbraw/zinc/03/98/47/410039847.db2.gz FFDXTWSJNVKTRR-UHFFFAOYSA-N -2 0 312.351 1.465 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c[nH]1 ZINC000193476149 222155469 /nfs/dbraw/zinc/15/54/69/222155469.db2.gz ALUIHSJRRSDVOS-UHFFFAOYSA-N -2 0 305.315 1.995 20 0 DDADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000547557980 421343408 /nfs/dbraw/zinc/34/34/08/421343408.db2.gz CQWVLOBBTPEYRJ-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C ZINC000547935651 421380683 /nfs/dbraw/zinc/38/06/83/421380683.db2.gz LTWJEOQFICOWKV-NKWVEPMBSA-N -2 0 305.318 1.746 20 0 DDADRL CC(C)c1nc(=NCCc2ccc(OCC(=O)[O-])cc2)o[n-]1 ZINC000519655530 421714240 /nfs/dbraw/zinc/71/42/40/421714240.db2.gz SJKZLCSWROOONM-UHFFFAOYSA-N -2 0 305.334 1.733 20 0 DDADRL O=C([O-])CN(CC1CC1)S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000630446768 422108174 /nfs/dbraw/zinc/10/81/74/422108174.db2.gz WFOIYFPFXVXAMH-UHFFFAOYSA-N -2 0 319.766 1.531 20 0 DDADRL O=C([O-])[C@]1(CN=c2[n-]c(C(F)(F)F)ns2)CCCOC1 ZINC000630464192 422118404 /nfs/dbraw/zinc/11/84/04/422118404.db2.gz UNFKUYSJJVABPG-VIFPVBQESA-N -2 0 311.285 1.272 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000653323944 423441165 /nfs/dbraw/zinc/44/11/65/423441165.db2.gz AWAKMTYHBGDARB-BLLLJJGKSA-N -2 0 307.346 1.502 20 0 DDADRL CSc1nc(=NC(=O)NC[C@@H](C(=O)[O-])C(C)C)s[n-]1 ZINC000653540817 423520290 /nfs/dbraw/zinc/52/02/90/423520290.db2.gz VJEFFBLOWIMRDR-ZCFIWIBFSA-N -2 0 304.397 1.160 20 0 DDADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000659764725 424231727 /nfs/dbraw/zinc/23/17/27/424231727.db2.gz MYEVSSCAZAFVER-PWSUYJOCSA-N -2 0 321.329 1.333 20 0 DDADRL C[C@@H](CC(=O)[O-])n1cc(-c2ccc(C(=O)[O-])cc2CO)cn1 ZINC000657207081 424214676 /nfs/dbraw/zinc/21/46/76/424214676.db2.gz RGQQSSOKYXXECH-VIFPVBQESA-N -2 0 304.302 1.776 20 0 DDADRL O=C([O-])[C@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)C1CCC1 ZINC000665313410 424780359 /nfs/dbraw/zinc/78/03/59/424780359.db2.gz JQDVUUSWLFPYGN-HTAVTVPLSA-N -2 0 312.366 1.430 20 0 DDADRL CCCCOCCCNS(=O)(=O)c1csnc1C(=O)[O-] ZINC000575985375 308284797 /nfs/dbraw/zinc/28/47/97/308284797.db2.gz IYVQLKWZEJPDNO-UHFFFAOYSA-N -2 0 322.408 1.326 20 0 DDADRL COC1CC(CCNS(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000656716625 484294427 /nfs/dbraw/zinc/29/44/27/484294427.db2.gz HLDOYWHAWSOWRC-UHFFFAOYSA-N -2 0 317.363 1.380 20 0 DDADRL C[C@H]1CCN(C(=O)C2(C(=O)[O-])CCCCCC2)C[C@@H]1C(=O)[O-] ZINC000663059342 484635292 /nfs/dbraw/zinc/63/52/92/484635292.db2.gz VDWVWXKHVJFQTN-RYUDHWBXSA-N -2 0 311.378 1.981 20 0 DDADRL C[C@](CNC(=O)[C@]1(C(=O)[O-])CC1(C)C)(C(=O)[O-])c1ccccc1 ZINC000663121025 484684907 /nfs/dbraw/zinc/68/49/07/484684907.db2.gz WCLSCXWHMXDGIO-SJORKVTESA-N -2 0 319.357 1.646 20 0 DDADRL CC(C)C[C@@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC000424400624 528322388 /nfs/dbraw/zinc/32/23/88/528322388.db2.gz UMJCHOTYARSOCV-CXQJBGSLSA-N -2 0 314.382 1.676 20 0 DDADRL O=C([O-])c1ccccc1NC(=O)C(=O)[N-]OCc1ccccc1 ZINC000821458270 598173920 /nfs/dbraw/zinc/17/39/20/598173920.db2.gz UFEQWBFVXZLSCL-UHFFFAOYSA-N -2 0 314.297 1.571 20 0 DDADRL COc1ccc(-n2cc([O-])c(C(=O)N(C)[C@@H](C)C(=O)[O-])n2)cc1 ZINC000820805352 598220569 /nfs/dbraw/zinc/22/05/69/598220569.db2.gz UXPAPBIILDVMTL-VIFPVBQESA-N -2 0 319.317 1.132 20 0 DDADRL CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2n[nH]c(=O)[n-]2)cc1 ZINC000738203420 599862210 /nfs/dbraw/zinc/86/22/10/599862210.db2.gz XYUOMUNDRKJOPM-VIFPVBQESA-N -2 0 322.346 1.178 20 0 DDADRL COc1ccc(C(=O)[O-])c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000737932694 600018936 /nfs/dbraw/zinc/01/89/36/600018936.db2.gz XUQQBBAZUCNOHH-QWRGUYRKSA-N -2 0 319.313 1.999 20 0 DDADRL O=C([O-])c1cccc(NC(=O)c2n[n-]c3ccccc3c2=O)c1 ZINC000238229197 600174501 /nfs/dbraw/zinc/17/45/01/600174501.db2.gz KVYBXKDRWFOGIF-UHFFFAOYSA-N -2 0 309.281 1.874 20 0 DDADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000314307331 600178653 /nfs/dbraw/zinc/17/86/53/600178653.db2.gz NROFMRBELPMUFA-UHFFFAOYSA-N -2 0 322.342 1.736 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)/C=C/c1cccs1 ZINC000739696039 600461190 /nfs/dbraw/zinc/46/11/90/600461190.db2.gz WIVCYZRROQGWAD-AATRIKPKSA-N -2 0 303.361 1.072 20 0 DDADRL O=C([O-])CCCCNC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000773221497 600703759 /nfs/dbraw/zinc/70/37/59/600703759.db2.gz PCBIZCIFHQHECE-UHFFFAOYSA-N -2 0 303.318 1.563 20 0 DDADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)c1 ZINC000821549472 600961567 /nfs/dbraw/zinc/96/15/67/600961567.db2.gz GXWMNIHDOOIQAI-UHFFFAOYSA-N -2 0 311.237 1.007 20 0 DDADRL O=C([O-])N(CCNC(=O)c1ccc2[n-]c(=S)oc2c1)C1CC1 ZINC000831685977 603739766 /nfs/dbraw/zinc/73/97/66/603739766.db2.gz XASVYAFVXBHHOE-UHFFFAOYSA-N -2 0 321.358 1.989 20 0 DDADRL O=C([O-])NC[C@@H]1CCCN1C(=O)c1c([O-])cc(F)cc1F ZINC000832562898 603997618 /nfs/dbraw/zinc/99/76/18/603997618.db2.gz SXSKSIFOHYKUTO-QMMMGPOBSA-N -2 0 300.261 1.543 20 0 DDADRL CCCCS(=O)(=O)[N-]C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000826848420 604209923 /nfs/dbraw/zinc/20/99/23/604209923.db2.gz XCLYCXUOVGWEOW-UHFFFAOYSA-N -2 0 314.363 1.945 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000826727760 604256883 /nfs/dbraw/zinc/25/68/83/604256883.db2.gz HWOZTSJYNYNPBM-NXEZZACHSA-N -2 0 308.400 1.115 20 0 DDADRL C[C@H](Sc1ccccc1C(=O)OCc1n[nH]c(=O)[n-]1)C(=O)[O-] ZINC000833545941 605069669 /nfs/dbraw/zinc/06/96/69/605069669.db2.gz WTGMXDZDZBQWBJ-ZETCQYMHSA-N -2 0 323.330 1.433 20 0 DDADRL Cc1cccc(C[C@@H](CNC(=O)CCNC(=O)[O-])C(=O)[O-])c1 ZINC000830493420 605186048 /nfs/dbraw/zinc/18/60/48/605186048.db2.gz PWMMZMUPYAMQIK-LBPRGKRZSA-N -2 0 308.334 1.012 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])cnn1C ZINC000833751072 605188847 /nfs/dbraw/zinc/18/88/47/605188847.db2.gz NTUREHIGITZIHC-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL C[C@@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000833610047 605486565 /nfs/dbraw/zinc/48/65/65/605486565.db2.gz VIJYZCSRHDAYLT-BXKDBHETSA-N -2 0 311.359 1.626 20 0 DDADRL O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)[N-]O[C@H]1CCCCO1 ZINC000831742731 605684269 /nfs/dbraw/zinc/68/42/69/605684269.db2.gz OYQAUSJFYNJVGG-UONOGXRCSA-N -2 0 320.345 1.838 20 0 DDADRL C[C@H]1CC(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C[C@H](C)C1 ZINC000833595368 605701299 /nfs/dbraw/zinc/70/12/99/605701299.db2.gz VDGDVGSGFVVBSN-NXEZZACHSA-N -2 0 305.396 1.370 20 0 DDADRL CC(C)CCS(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000736435613 606027167 /nfs/dbraw/zinc/02/71/67/606027167.db2.gz IWVIHCBZTQYMMH-JTQLQIEISA-N -2 0 308.400 1.161 20 0 DDADRL O=C([O-])c1ccc(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)cc1Cl ZINC000834282658 606037659 /nfs/dbraw/zinc/03/76/59/606037659.db2.gz CXSGCPXBIJJRRI-SSDOTTSWSA-N -2 0 312.709 1.977 20 0 DDADRL CCN(CCC(=O)[O-])C(=O)[C@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000833857366 606046954 /nfs/dbraw/zinc/04/69/54/606046954.db2.gz JGDKTSSVIOSZGD-NWDGAFQWSA-N -2 0 314.382 1.916 20 0 DDADRL O=C([O-])N[C@H](CC(=O)N[C@@H](C(=O)[O-])C1CC1)c1ccccc1 ZINC000834123032 606052411 /nfs/dbraw/zinc/05/24/11/606052411.db2.gz PJAMFSFXQWMRNZ-DGCLKSJQSA-N -2 0 306.318 1.365 20 0 DDADRL CCCCC[C@@H](NC(=O)[C@H]1CCCN(C(=O)[O-])C1)C(=O)[O-] ZINC000833852478 606067512 /nfs/dbraw/zinc/06/75/12/606067512.db2.gz DUPFRVZUQWHRFL-WDEREUQCSA-N -2 0 300.355 1.526 20 0 DDADRL O=C([O-])[C@@H](NC(=O)[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1F ZINC000834014054 606068115 /nfs/dbraw/zinc/06/81/15/606068115.db2.gz GATNNLKTYPDKQB-SKDRFNHKSA-N -2 0 324.308 1.458 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)CCNC(=O)[O-])cc1Cl ZINC000834066080 606069771 /nfs/dbraw/zinc/06/97/71/606069771.db2.gz PVKMATRNYSMWOV-UHFFFAOYSA-N -2 0 316.697 1.400 20 0 DDADRL O=C([O-])NC1(CC(=O)NCCc2cccc(C(=O)[O-])c2)CCC1 ZINC000834156377 606113922 /nfs/dbraw/zinc/11/39/22/606113922.db2.gz ZNXFVDQMWYUOGL-UHFFFAOYSA-N -2 0 320.345 1.624 20 0 DDADRL Cc1ncoc1C(=O)[N-][N-]C(=O)C(F)(F)Oc1ccccc1 ZINC000081830955 696548199 /nfs/dbraw/zinc/54/81/99/696548199.db2.gz NIZJHPURCXJDNX-UHFFFAOYSA-N -2 0 311.244 1.416 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)c(C)s1 ZINC000725223366 699331495 /nfs/dbraw/zinc/33/14/95/699331495.db2.gz DMLNYQAKXICBRT-UHFFFAOYSA-N -2 0 315.376 1.597 20 0 DDADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)C(F)F)OCCO2 ZINC000817419193 702376466 /nfs/dbraw/zinc/37/64/66/702376466.db2.gz CWDGRJIRJKUEBN-UHFFFAOYSA-N -2 0 309.246 1.120 20 0 DDADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000863952501 706045008 /nfs/dbraw/zinc/04/50/08/706045008.db2.gz ZBGXSTKIJDRBFE-LLVKDONJSA-N -2 0 303.361 1.054 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)c(C)o1 ZINC000863957921 706046499 /nfs/dbraw/zinc/04/64/99/706046499.db2.gz JEGLUFCXQOIAQI-UHFFFAOYSA-N -2 0 313.331 1.122 20 0 DDADRL CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CCCC2)CC1 ZINC000863963743 706047408 /nfs/dbraw/zinc/04/74/08/706047408.db2.gz GHUYGIHFSDVVFD-JTQLQIEISA-N -2 0 303.380 1.266 20 0 DDADRL CN(C)S(=O)(=O)[N-]c1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000830623631 706547506 /nfs/dbraw/zinc/54/75/06/706547506.db2.gz GYTSXKHQMVQRRM-UHFFFAOYSA-N -2 0 316.364 1.055 20 0 DDADRL O=C([O-])c1ccsc1N1CC[C@@H]([N-]C(=O)C(F)(F)F)C1=O ZINC000833336993 707006150 /nfs/dbraw/zinc/00/61/50/707006150.db2.gz XRBOTKPJZKUGSZ-ZCFIWIBFSA-N -2 0 322.264 1.230 20 0 DDADRL O=C([O-])[C@@]1(NC(=O)c2ccc(C(F)(F)F)cc2O)CCOC1 ZINC000909377052 713003897 /nfs/dbraw/zinc/00/38/97/713003897.db2.gz JXPLYUKEMFTPNK-GFCCVEGCSA-N -2 0 319.235 1.385 20 0 DDADRL O=C([O-])[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)[C@H]1CCCOC1 ZINC000909544021 709509000 /nfs/dbraw/zinc/50/90/00/709509000.db2.gz HXGHYAADIBCQSK-CABZTGNLSA-N -2 0 313.737 1.655 20 0 DDADRL COCC[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)C(=O)[O-] ZINC000909622997 709544052 /nfs/dbraw/zinc/54/40/52/709544052.db2.gz AHWCDPXHIPXNAT-VIFPVBQESA-N -2 0 305.689 1.404 20 0 DDADRL Cc1cccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1C ZINC000910186250 709802341 /nfs/dbraw/zinc/80/23/41/709802341.db2.gz PBYCKVKHGGXXLL-YPMHNXCESA-N -2 0 305.330 1.693 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)Cc2ccccc2F)C1 ZINC000910186465 709802584 /nfs/dbraw/zinc/80/25/84/709802584.db2.gz RRZKYOBNPZTLDK-ZYHUDNBSSA-N -2 0 309.293 1.145 20 0 DDADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCC3(CCC3)C2)c1 ZINC000906887273 712428136 /nfs/dbraw/zinc/42/81/36/712428136.db2.gz KUMGLDCVJQGVFN-UHFFFAOYSA-N -2 0 311.359 1.655 20 0 DDADRL CCC(C)=Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001210795423 733294650 /nfs/dbraw/zinc/29/46/50/733294650.db2.gz WEQFMZHIEDBZFV-XVNBXDOJSA-N -2 0 307.349 1.516 20 0 DDADRL Cc1cnc(C)c(NC(=O)c2ccccc2OP(=O)([O-])[O-])n1 ZINC001189860246 745003675 /nfs/dbraw/zinc/00/36/75/745003675.db2.gz CTTBRBLYBSCUQQ-UHFFFAOYSA-N -2 0 323.245 1.817 20 0 DDADRL CCC1(CNC(=O)c2ccccc2OP(=O)([O-])[O-])COC1 ZINC001189900241 745048625 /nfs/dbraw/zinc/04/86/25/745048625.db2.gz WIMZYYOSEOMYIZ-UHFFFAOYSA-N -2 0 315.262 1.315 20 0 DDADRL COC(=O)CCCS(=O)(=O)[N-]c1cc(F)cc(F)c1[O-] ZINC001201916151 748641771 /nfs/dbraw/zinc/64/17/71/748641771.db2.gz NQYVRMCCVQFGBF-UHFFFAOYSA-N -2 0 309.290 1.365 20 0 DDADRL CCn1c(C)cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1C ZINC000825117613 759223210 /nfs/dbraw/zinc/22/32/10/759223210.db2.gz RIZDZCJRWIHGQL-AAEUAGOBSA-N -2 0 322.361 1.515 20 0 DDADRL O=C1NCc2ccccc2[C@H]1Nc1ccc(P(=O)([O-])[O-])cc1 ZINC001169890525 762722929 /nfs/dbraw/zinc/72/29/29/762722929.db2.gz XKECHUPULXDQHH-CQSZACIVSA-N -2 0 318.269 1.273 20 0 DDADRL O=P([O-])([O-])OCCNc1nnc(Cl)c2ccncc21 ZINC001157787374 766639037 /nfs/dbraw/zinc/63/90/37/766639037.db2.gz JBKXSAKWURJSGL-UHFFFAOYSA-N -2 0 304.630 1.199 20 0 DDADRL O=P([O-])([O-])OCCNc1nnc(Cl)c2c1CCCC2 ZINC001157788045 766646961 /nfs/dbraw/zinc/64/69/61/766646961.db2.gz XOVCTBZXGQOKOF-UHFFFAOYSA-N -2 0 307.674 1.530 20 0 DDADRL COc1ccc(Nc2cncc(C(=O)[O-])c2)c(S(=O)(=O)[O-])c1 ZINC001175842650 777923644 /nfs/dbraw/zinc/92/36/44/777923644.db2.gz CXZCOPNYCOPSRP-UHFFFAOYSA-N -2 0 324.314 1.779 20 0 DDADRL Cn1ccc(C(=O)Nc2cc(=O)[n-]c(Cl)n2)c1CC(=O)[O-] ZINC001177363817 778569241 /nfs/dbraw/zinc/56/92/41/778569241.db2.gz SSPIZWWIRLOZGL-UHFFFAOYSA-N -2 0 310.697 1.054 20 0 DDADRL CC(C)(C)O[N-]C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001117679485 780878953 /nfs/dbraw/zinc/87/89/53/780878953.db2.gz ZDMFQCSTYJBYGT-UHFFFAOYSA-N -2 0 322.333 1.089 20 0 DDADRL O=C(OCCCCC1CCCCC1)[C@H](O)COP(=O)([O-])[O-] ZINC001224765999 881526547 /nfs/dbraw/zinc/52/65/47/881526547.db2.gz AUHZAAYURNOIOS-GFCCVEGCSA-N -2 0 324.310 1.750 20 0 DDADRL O=P([O-])([O-])OCCNc1nccc2cc(Cl)ncc21 ZINC001157787524 864139954 /nfs/dbraw/zinc/13/99/54/864139954.db2.gz LLXVEJXEXXDSGT-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1C[C@H]2Oc1nc(=O)[n-]c(=O)[nH]1 ZINC001227566528 883083530 /nfs/dbraw/zinc/08/35/30/883083530.db2.gz HELXMOGBZQWHRG-IWSPIJDZSA-N -2 0 324.337 1.060 20 0 DDADRL CCCCc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001227620596 883109895 /nfs/dbraw/zinc/10/98/95/883109895.db2.gz MOQMHDZCYKNITG-JSGCOSHPSA-N -2 0 324.329 1.471 20 0 DDADRL Cc1cc(Cl)cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001227984889 883268431 /nfs/dbraw/zinc/26/84/31/883268431.db2.gz NZUYWNRBRGERIO-KOLCDFICSA-N -2 0 316.693 1.090 20 0 DDADRL Cc1cc(C(=O)[N-]n2c(=O)[n-][nH]c2=O)sc1Br ZINC001362506412 883964013 /nfs/dbraw/zinc/96/40/13/883964013.db2.gz WOIXKNNVYDVCFO-UHFFFAOYSA-N -2 0 319.140 1.206 20 0 DDADRL O=C(c1ccc(Cl)c([O-])c1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001362993070 885173003 /nfs/dbraw/zinc/17/30/03/885173003.db2.gz CXDOBAKNOKVUJP-VIFPVBQESA-N -2 0 307.741 1.579 20 0 DDADRL CN(C)C(=O)c1cccc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001239925579 890777740 /nfs/dbraw/zinc/77/77/40/890777740.db2.gz WIEWMTGTRIQWKO-UHFFFAOYSA-N -2 0 305.270 1.858 20 0 DDADRL COC(=O)Cc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001242163290 891355633 /nfs/dbraw/zinc/35/56/33/891355633.db2.gz SBSSNPVQOFYIIR-UHFFFAOYSA-N -2 0 315.281 1.861 20 0 DDADRL CCOC(=O)c1ncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001242162512 891355659 /nfs/dbraw/zinc/35/56/59/891355659.db2.gz WHFNMXWWBIEMNL-UHFFFAOYSA-N -2 0 316.269 1.717 20 0 DDADRL CCNC(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1 ZINC001242160732 891356193 /nfs/dbraw/zinc/35/61/93/891356193.db2.gz PJYGXTQJCPSWCE-UHFFFAOYSA-N -2 0 314.297 1.895 20 0 DDADRL Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(N)=O)c(O)c1 ZINC001258927499 898362567 /nfs/dbraw/zinc/36/25/67/898362567.db2.gz DYLMWVWXPAHYQZ-UHFFFAOYSA-N -2 0 324.333 1.739 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnc(Cl)cn2)c1 ZINC001260183380 899077317 /nfs/dbraw/zinc/07/73/17/899077317.db2.gz NWBYKRKJCOYQSV-UHFFFAOYSA-N -2 0 313.722 1.629 20 0 DDADRL COc1c(O)cccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260192341 899082866 /nfs/dbraw/zinc/08/28/66/899082866.db2.gz JRBXNGBAGIRWPU-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL CCc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cn1 ZINC000446988893 529759026 /nfs/dbraw/zinc/75/90/26/529759026.db2.gz AQJWOPDDBJZJOK-UHFFFAOYSA-N -2 0 321.358 1.846 20 0 DDADRL C[C@@H](C[N-]S(=O)(=O)c1c(F)cc(F)cc1F)CC(=O)[O-] ZINC000147322662 186039606 /nfs/dbraw/zinc/03/96/06/186039606.db2.gz CSFKCWQDKHJYOE-ZCFIWIBFSA-N -2 0 311.281 1.493 20 0 DDADRL O=C([O-])[C@@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)CC(F)(F)F ZINC000564925486 304026996 /nfs/dbraw/zinc/02/69/96/304026996.db2.gz ACFASLUZFIJGPV-BDAKNGLRSA-N -2 0 317.329 1.892 20 0 DDADRL C[C@H]1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000626768735 367734872 /nfs/dbraw/zinc/73/48/72/367734872.db2.gz OYDKRKLBVWVFFX-UWVGGRQHSA-N -2 0 300.355 1.240 20 0 DDADRL C[C@H]1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000626768737 367735997 /nfs/dbraw/zinc/73/59/97/367735997.db2.gz OYDKRKLBVWVFFX-VHSXEESVSA-N -2 0 300.355 1.240 20 0 DDADRL O=C([O-])CN1CC[C@@H](C(=O)[O-])c2cc(Br)ccc21 ZINC000635019468 422773499 /nfs/dbraw/zinc/77/34/99/422773499.db2.gz XQHMAECPHIYKII-MRVPVSSYSA-N -2 0 314.135 1.912 20 0 DDADRL O=C([O-])[C@H]1CCCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000159935213 304179539 /nfs/dbraw/zinc/17/95/39/304179539.db2.gz NZHIPPHXWGHTBR-GFCCVEGCSA-N -2 0 315.329 1.657 20 0 DDADRL Cc1ncsc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000351680588 207378807 /nfs/dbraw/zinc/37/88/07/207378807.db2.gz RZTBIFLBLPPHGD-UHFFFAOYSA-N -2 0 317.330 1.762 20 0 DDADRL CCc1ccccc1-n1cc([O-])c(C(=O)N(C)CCC(=O)[O-])n1 ZINC000570211948 304402202 /nfs/dbraw/zinc/40/22/02/304402202.db2.gz LEOYVUCDXWAVLH-UHFFFAOYSA-N -2 0 317.345 1.687 20 0 DDADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C)c1 ZINC000071415516 406838539 /nfs/dbraw/zinc/83/85/39/406838539.db2.gz HDAZWJOUEBBFEQ-UHFFFAOYSA-N -2 0 301.349 1.289 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cnn1C ZINC000178956520 407675177 /nfs/dbraw/zinc/67/51/77/407675177.db2.gz RCJVPMIRACPGFG-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cncnc2)cc1Cl ZINC000231773462 163351038 /nfs/dbraw/zinc/35/10/38/163351038.db2.gz ZOHVUVBCCOFYGR-UHFFFAOYSA-N -2 0 313.722 1.629 20 0 DDADRL C[C@@]1(C(=O)[O-])CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000263377257 163958981 /nfs/dbraw/zinc/95/89/81/163958981.db2.gz OLMGCCPLGRXNIP-OAHLLOKOSA-N -2 0 306.318 1.391 20 0 DDADRL Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)c2nc[nH]n2)s1 ZINC000352254739 410582780 /nfs/dbraw/zinc/58/27/80/410582780.db2.gz XKGPRXNDVGVRFY-UHFFFAOYSA-N -2 0 304.310 1.445 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)cs1 ZINC000353830751 411134190 /nfs/dbraw/zinc/13/41/90/411134190.db2.gz WEAGSOLUSFIHOI-UHFFFAOYSA-N -2 0 324.343 1.518 20 0 DDADRL CC(C)(C)c1nc(=NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)s[n-]1 ZINC000647695721 423000861 /nfs/dbraw/zinc/00/08/61/423000861.db2.gz RCJXTCHBSGHFDY-JGVFFNPUSA-N -2 0 312.395 1.632 20 0 DDADRL C[C@H](C(=O)[O-])N(C)C(=O)c1cc(C(=O)[O-])n(-c2ccccc2)n1 ZINC000436058819 420305071 /nfs/dbraw/zinc/30/50/71/420305071.db2.gz ZRUZLASYKMVYFW-SECBINFHSA-N -2 0 317.301 1.116 20 0 DDADRL CSCC[C@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000548243356 421414198 /nfs/dbraw/zinc/41/41/98/421414198.db2.gz SHMMRZLOOWYLLR-WDSKDSINSA-N -2 0 309.331 1.063 20 0 DDADRL CCn1cncc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000548527936 421448132 /nfs/dbraw/zinc/44/81/32/421448132.db2.gz OHXJAYOQMXIKCF-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL CC(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000563068562 421449886 /nfs/dbraw/zinc/44/98/86/421449886.db2.gz OASGGPNRRBYVNQ-JOYOIKCWSA-N -2 0 317.363 1.317 20 0 DDADRL CC(C)C[C@@H](CNC(=O)N1CCC[C@H](CC(=O)[O-])C1)C(=O)[O-] ZINC000572992552 421892620 /nfs/dbraw/zinc/89/26/20/421892620.db2.gz RGKFVCLGXOGJRK-NEPJUHHUSA-N -2 0 314.382 1.630 20 0 DDADRL Cc1onc(N)c1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000580930910 421863595 /nfs/dbraw/zinc/86/35/95/421863595.db2.gz BMMAVYJOUUQSIJ-UHFFFAOYSA-N -2 0 315.282 1.034 20 0 DDADRL Cc1oc(S(=O)(=O)NC2Cc3ccccc3C2)cc1C(=O)[O-] ZINC000645951895 423259589 /nfs/dbraw/zinc/25/95/89/423259589.db2.gz LOMIHJANQIJJHB-UHFFFAOYSA-N -2 0 321.354 1.732 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1 ZINC000653278673 423416416 /nfs/dbraw/zinc/41/64/16/423416416.db2.gz DYCCNNDYNOOOPZ-WJTVCTBASA-N -2 0 309.362 1.732 20 0 DDADRL CC[C@H](C(=O)[O-])N(C)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000653338871 423445402 /nfs/dbraw/zinc/44/54/02/423445402.db2.gz PAWFVMWUMJIEQK-LLVKDONJSA-N -2 0 303.318 1.513 20 0 DDADRL CSc1nc(=NC(=O)NC[C@H](C(=O)[O-])C(C)C)s[n-]1 ZINC000653540816 423519193 /nfs/dbraw/zinc/51/91/93/423519193.db2.gz VJEFFBLOWIMRDR-LURJTMIESA-N -2 0 304.397 1.160 20 0 DDADRL CN(CCCC(=O)[O-])C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000417741124 289611535 /nfs/dbraw/zinc/61/15/35/289611535.db2.gz TXFIXOXWFSZHHR-UHFFFAOYSA-N -2 0 310.335 1.549 20 0 DDADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccoc2)c(C(=O)[O-])c1 ZINC000560417594 303810625 /nfs/dbraw/zinc/81/06/25/303810625.db2.gz UWDJNHMRFQMNAB-UHFFFAOYSA-N -2 0 324.314 1.737 20 0 DDADRL Cn1cnc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c1 ZINC000547610499 307740767 /nfs/dbraw/zinc/74/07/67/307740767.db2.gz UIOZHEJXQKJLDP-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL O=C([O-])c1ccc(NS(=O)(=O)CCC2CC2)cc1C(=O)[O-] ZINC000548525326 307774921 /nfs/dbraw/zinc/77/49/21/307774921.db2.gz XSNVUXLQUKCTNF-UHFFFAOYSA-N -2 0 313.331 1.625 20 0 DDADRL COCC1(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC)CC1 ZINC000575409925 308276719 /nfs/dbraw/zinc/27/67/19/308276719.db2.gz APLVOAMHBSNUBG-UHFFFAOYSA-N -2 0 315.347 1.314 20 0 DDADRL O=C([O-])[C@H](C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)C1CC1 ZINC000663118296 484681793 /nfs/dbraw/zinc/68/17/93/484681793.db2.gz CJYFVHBFOQVZNG-UPJWGTAASA-N -2 0 303.314 1.527 20 0 DDADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2)c1 ZINC000138905726 598148278 /nfs/dbraw/zinc/14/82/78/598148278.db2.gz GRFSHTIKSLMIAS-UHFFFAOYSA-N -2 0 305.311 1.504 20 0 DDADRL O=C([O-])[C@@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000821508868 598220444 /nfs/dbraw/zinc/22/04/44/598220444.db2.gz KIIXDVZCAZABCP-AVGNSLFASA-N -2 0 305.330 1.820 20 0 DDADRL O=C([O-])NCCCC(=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000739956615 599797451 /nfs/dbraw/zinc/79/74/51/599797451.db2.gz HYHKELHHPHKDGP-CSKARUKUSA-N -2 0 312.347 1.151 20 0 DDADRL CC(C)c1csc2nc(-c3ncn(CC(=O)[O-])n3)[n-]c(=O)c12 ZINC000736523037 600465473 /nfs/dbraw/zinc/46/54/73/600465473.db2.gz RCRHPJVCFTYZLJ-UHFFFAOYSA-N -2 0 319.346 1.863 20 0 DDADRL Cc1nc2cc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)ccc2o1 ZINC000314226206 600977965 /nfs/dbraw/zinc/97/79/65/600977965.db2.gz CFSDYCNFBCDPAN-UHFFFAOYSA-N -2 0 321.314 1.963 20 0 DDADRL COCc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c1 ZINC000831821932 600982934 /nfs/dbraw/zinc/98/29/34/600982934.db2.gz HPOYZEWZXLDZFL-UHFFFAOYSA-N -2 0 322.342 1.727 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)nc1 ZINC000832413378 600985896 /nfs/dbraw/zinc/98/58/96/600985896.db2.gz UAUHZPNJOSCKKF-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL O=C([O-])CCCCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000013026693 601354169 /nfs/dbraw/zinc/35/41/69/601354169.db2.gz CZWGRBYPDYFREZ-UHFFFAOYSA-N -2 0 315.347 1.308 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n(C)n1 ZINC000314422452 601358182 /nfs/dbraw/zinc/35/81/82/601358182.db2.gz XUEMEAYSPWTYJD-VMPITWQZSA-N -2 0 321.358 1.627 20 0 DDADRL O=C([O-])[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])C1CC1 ZINC000833125822 601758054 /nfs/dbraw/zinc/75/80/54/601758054.db2.gz SKPBHTRUMJBNIA-GFCCVEGCSA-N -2 0 301.302 1.171 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])no1 ZINC000830224628 601768906 /nfs/dbraw/zinc/76/89/06/601768906.db2.gz SQNUTTBRBGBWBA-UHFFFAOYSA-N -2 0 303.321 1.193 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc(Cl)ccn2)c1C(=O)[O-] ZINC000832991680 601769527 /nfs/dbraw/zinc/76/95/27/601769527.db2.gz NSYYFSHNTPDQIU-UHFFFAOYSA-N -2 0 316.726 1.266 20 0 DDADRL CCC(=CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)CC ZINC000828548622 602384997 /nfs/dbraw/zinc/38/49/97/602384997.db2.gz CXTBYLAOYWHLBC-UHFFFAOYSA-N -2 0 317.388 1.998 20 0 DDADRL O=C([O-])NCCCNC(=O)c1ccc(Br)cc1O ZINC000740653420 602406792 /nfs/dbraw/zinc/40/67/92/602406792.db2.gz JIFBOIAXPWEZOJ-UHFFFAOYSA-N -2 0 317.139 1.542 20 0 DDADRL CC(C)CCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000824245920 603441411 /nfs/dbraw/zinc/44/14/11/603441411.db2.gz YFURQOFKBDDIIE-WDEREUQCSA-N -2 0 320.411 1.305 20 0 DDADRL O=C([O-])N1[C@H](C(=O)[N-]OCC(F)(F)F)C[C@@H]2CCCC[C@@H]21 ZINC000831742765 605138199 /nfs/dbraw/zinc/13/81/99/605138199.db2.gz QEIHNORXFQSQTO-CIUDSAMLSA-N -2 0 310.272 1.908 20 0 DDADRL O=C([O-])NC1(C(=O)[N-]OCC(F)(F)F)Cc2ccccc2C1 ZINC000832176195 605139230 /nfs/dbraw/zinc/13/92/30/605139230.db2.gz VENDTXJHEXIISQ-UHFFFAOYSA-N -2 0 318.251 1.402 20 0 DDADRL C[C@@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000825874026 605283393 /nfs/dbraw/zinc/28/33/93/605283393.db2.gz YOKSKRHLIXFSMQ-MXWKQRLJSA-N -2 0 318.395 1.011 20 0 DDADRL Cc1sc([N-]S(=O)(=O)c2ccn(C)n2)c(C(=O)[O-])c1C ZINC000833757994 605303063 /nfs/dbraw/zinc/30/30/63/605303063.db2.gz GXXOEQVSPZSREV-UHFFFAOYSA-N -2 0 315.376 1.597 20 0 DDADRL O=C([O-])N1CCC[C@H](NS(=O)(=O)c2cc3ccccc3o2)C1 ZINC000831987575 605629061 /nfs/dbraw/zinc/62/90/61/605629061.db2.gz WXQGHXMYSSTNGC-NSHDSACASA-N -2 0 324.358 1.854 20 0 DDADRL CC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833639863 605678522 /nfs/dbraw/zinc/67/85/22/605678522.db2.gz ZJLDICLWCFHZSM-HTQZYQBOSA-N -2 0 319.404 1.933 20 0 DDADRL O=C([O-])NC1(C(=O)[N-]OC2CCCC2)Cc2ccccc2C1 ZINC000834153951 605979091 /nfs/dbraw/zinc/97/90/91/605979091.db2.gz KQNDUWCNMABGQW-UHFFFAOYSA-N -2 0 304.346 1.782 20 0 DDADRL O=C([O-])N[C@H]1CCC[C@H]1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000834170712 606028941 /nfs/dbraw/zinc/02/89/41/606028941.db2.gz AYLIOTPMWCVLEP-NEPJUHHUSA-N -2 0 306.318 1.437 20 0 DDADRL O=C([O-])NC1(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CCCC1 ZINC000834152656 606034871 /nfs/dbraw/zinc/03/48/71/606034871.db2.gz VZQDHYCTJLYLCD-JTQLQIEISA-N -2 0 310.350 1.280 20 0 DDADRL O=C([O-])CN(Cc1ccccc1)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000834064700 606048478 /nfs/dbraw/zinc/04/84/78/606048478.db2.gz FHKOEXBSHSRJMM-STQMWFEESA-N -2 0 320.345 1.536 20 0 DDADRL O=C([O-])C[C@@H](NC(=O)Cc1ccc(NC(=O)[O-])cc1)C1CC1 ZINC000834061196 606054441 /nfs/dbraw/zinc/05/44/41/606054441.db2.gz QFKBWIAJDLKBBB-GFCCVEGCSA-N -2 0 306.318 1.689 20 0 DDADRL O=C([O-])[C@@H](CNC(=O)CC1CN(C(=O)[O-])C1)Cc1ccccc1 ZINC000833987705 606058598 /nfs/dbraw/zinc/05/85/98/606058598.db2.gz JXYHLZIDLLNTNT-CYBMUJFWSA-N -2 0 320.345 1.046 20 0 DDADRL O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000834173593 606065758 /nfs/dbraw/zinc/06/57/58/606065758.db2.gz SMBKNIDOVQASTI-JHJVBQTASA-N -2 0 320.345 1.407 20 0 DDADRL O=C([O-])Nc1cccc(C(=O)NC2(C(=O)[O-])CCSCC2)c1 ZINC000834261679 606068816 /nfs/dbraw/zinc/06/88/16/606068816.db2.gz DTNGJNWFKLBMKT-UHFFFAOYSA-N -2 0 324.358 1.857 20 0 DDADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1 ZINC000021797718 696075068 /nfs/dbraw/zinc/07/50/68/696075068.db2.gz PDSBMNVAKHWMBD-UHFFFAOYSA-N -2 0 311.319 1.231 20 0 DDADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)NCc2ccoc2)c1 ZINC000132042680 696810385 /nfs/dbraw/zinc/81/03/85/696810385.db2.gz YGYPAYYVPYIFMV-UHFFFAOYSA-N -2 0 317.269 1.735 20 0 DDADRL CC(C)C[C@@H](C)S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1 ZINC000776718103 698133069 /nfs/dbraw/zinc/13/30/69/698133069.db2.gz MYGQQIYLGATWGD-MFKMUULPSA-N -2 0 321.395 1.002 20 0 DDADRL Cc1ccc(-c2nc(C(=O)[N-]n3c(=O)[n-][nH]c3=O)cs2)o1 ZINC000816733175 702168938 /nfs/dbraw/zinc/16/89/38/702168938.db2.gz LXIRRGZJRCRGTE-UHFFFAOYSA-N -2 0 307.291 1.098 20 0 DDADRL O=C([O-])c1ccc(NC(=O)C(=O)[N-]OC2CCCCC2)c(F)c1 ZINC000817880688 702507535 /nfs/dbraw/zinc/50/75/35/702507535.db2.gz DORFMNLZHBDEGS-UHFFFAOYSA-N -2 0 324.308 1.843 20 0 DDADRL O=C([O-])CCN(C1CC1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000849157330 703622398 /nfs/dbraw/zinc/62/23/98/703622398.db2.gz JWVZWPZAUNJCOE-UHFFFAOYSA-N -2 0 313.331 1.013 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)c(F)c1 ZINC000863957057 706046207 /nfs/dbraw/zinc/04/62/07/706046207.db2.gz RVMMUGKPIICOSH-LLVKDONJSA-N -2 0 317.338 1.296 20 0 DDADRL CCc1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)cc1 ZINC000863959093 706046755 /nfs/dbraw/zinc/04/67/55/706046755.db2.gz SVVUNEGAXIMBJK-UHFFFAOYSA-N -2 0 311.359 1.309 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000863959622 706046786 /nfs/dbraw/zinc/04/67/86/706046786.db2.gz LAERHZZLODXFGG-SECBINFHSA-N -2 0 321.301 1.127 20 0 DDADRL CN(Cc1nc(=O)c2sccc2[n-]1)c1cc(C(=O)[O-])ncn1 ZINC000871593596 707132421 /nfs/dbraw/zinc/13/24/21/707132421.db2.gz OBONNDHXOMVXKI-UHFFFAOYSA-N -2 0 317.330 1.522 20 0 DDADRL C[C@H]1C(=O)N([N-]C(=O)c2cc(F)cc(Cl)c2[O-])C(=O)N1C ZINC000899030273 708958669 /nfs/dbraw/zinc/95/86/69/708958669.db2.gz ADHCKUWECRECOY-YFKPBYRVSA-N -2 0 315.688 1.112 20 0 DDADRL O=C([O-])[C@H](F)C1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000910134963 709786384 /nfs/dbraw/zinc/78/63/84/709786384.db2.gz UXPXWKQPJMMOEJ-SECBINFHSA-N -2 0 305.664 1.679 20 0 DDADRL CCc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])s1 ZINC000910189177 709803870 /nfs/dbraw/zinc/80/38/70/709803870.db2.gz QVCCHJJBBUCLKJ-WPRPVWTQSA-N -2 0 311.359 1.701 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CSC(F)(F)F)C1 ZINC000910190417 709804585 /nfs/dbraw/zinc/80/45/85/709804585.db2.gz WMTOKQKEKKOLFB-PHDIDXHHSA-N -2 0 315.269 1.016 20 0 DDADRL CSc1ccccc1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910191795 709805684 /nfs/dbraw/zinc/80/56/84/709805684.db2.gz MEOGVTZSUDUTSR-KOLCDFICSA-N -2 0 323.370 1.799 20 0 DDADRL C[C@@H]1CCN(C(=O)C2(C(=O)[O-])CCSCC2)C[C@H]1C(=O)[O-] ZINC000901697465 710122358 /nfs/dbraw/zinc/12/23/58/710122358.db2.gz FJFSYJOCGLGAJA-NXEZZACHSA-N -2 0 315.391 1.154 20 0 DDADRL C[C@H]1CCN(C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)C[C@@H]1C(=O)[O-] ZINC000901700290 710123909 /nfs/dbraw/zinc/12/39/09/710123909.db2.gz PSVAZUJEKACSKN-UWVGGRQHSA-N -2 0 311.378 1.693 20 0 DDADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCC[C@H]2C2CC2)c1 ZINC000906852939 712422508 /nfs/dbraw/zinc/42/25/08/712422508.db2.gz NDVCNTHAIRCOOV-NSHDSACASA-N -2 0 311.359 1.654 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2ncc(O)cc2C)cc1C(=O)[O-] ZINC001184660329 744079551 /nfs/dbraw/zinc/07/95/51/744079551.db2.gz ZLRHCIMECCBXTF-UHFFFAOYSA-N -2 0 322.342 1.903 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2cncc(O)c2)cc1C(=O)[O-] ZINC001185269344 744194826 /nfs/dbraw/zinc/19/48/26/744194826.db2.gz JTNIWBMVKMWKAU-UHFFFAOYSA-N -2 0 324.314 1.295 20 0 DDADRL Cc1nccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1 ZINC001186139353 744349561 /nfs/dbraw/zinc/34/95/61/744349561.db2.gz GKIBDKWGIBENDX-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccn2)ccc1F ZINC001186144117 744349832 /nfs/dbraw/zinc/34/98/32/744349832.db2.gz YHYKNTSVZGPDQV-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL C[C@@H](NC(=O)c1ccccc1OP(=O)([O-])[O-])c1cnccn1 ZINC001189899466 745048538 /nfs/dbraw/zinc/04/85/38/745048538.db2.gz BXKVRECQPJIWMD-SECBINFHSA-N -2 0 323.245 1.439 20 0 DDADRL Cc1cc(-c2ccccc2)nc(NCCOP(=O)([O-])[O-])n1 ZINC001168585669 751174258 /nfs/dbraw/zinc/17/42/58/751174258.db2.gz BHHSJIIEMHOUSP-UHFFFAOYSA-N -2 0 309.262 1.973 20 0 DDADRL O=P([O-])([O-])OCCNc1nccc(C(F)(F)F)c1F ZINC001168586548 751177984 /nfs/dbraw/zinc/17/79/84/751177984.db2.gz JUCLJICHMJLQQT-UHFFFAOYSA-N -2 0 304.136 1.761 20 0 DDADRL CN(C)c1nc(NCCOP(=O)([O-])[O-])nc2ccccc21 ZINC001168589873 751203985 /nfs/dbraw/zinc/20/39/85/751203985.db2.gz PDQSKGYYLPTUFV-UHFFFAOYSA-N -2 0 312.266 1.217 20 0 DDADRL COCc1cc(NCCOP(=O)([O-])[O-])nc(C(C)(C)C)n1 ZINC001168590225 751208080 /nfs/dbraw/zinc/20/80/80/751208080.db2.gz WSDRSWGNSWIFCI-UHFFFAOYSA-N -2 0 319.298 1.442 20 0 DDADRL CC(C)C(=O)Nc1cccc(NCCOP(=O)([O-])[O-])c1 ZINC001168591907 751221712 /nfs/dbraw/zinc/22/17/12/751221712.db2.gz IBFVJIFSDCJHJY-UHFFFAOYSA-N -2 0 302.267 1.802 20 0 DDADRL COC(=O)c1cc2[nH]ccc2cc1NCCOP(=O)([O-])[O-] ZINC001168591826 751221802 /nfs/dbraw/zinc/22/18/02/751221802.db2.gz ZGJFEGZHLKOMJZ-UHFFFAOYSA-N -2 0 314.234 1.476 20 0 DDADRL COC(=O)c1c(Cl)ccnc1NCCOP(=O)([O-])[O-] ZINC001157787840 766645567 /nfs/dbraw/zinc/64/55/67/766645567.db2.gz QWSSXWOUXBZMJB-UHFFFAOYSA-N -2 0 310.630 1.043 20 0 DDADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1N ZINC001174676156 777547242 /nfs/dbraw/zinc/54/72/42/777547242.db2.gz FWNBYUVSGDFOOC-UHFFFAOYSA-N -2 0 322.342 1.776 20 0 DDADRL CCOC(=O)c1ccn(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1N ZINC001176236198 778087764 /nfs/dbraw/zinc/08/77/64/778087764.db2.gz GXHZYACDEGFNTF-UHFFFAOYSA-N -2 0 318.285 1.633 20 0 DDADRL O=C([O-])c1cc(Nc2cc3n(n2)CCCO3)cc(C(=O)[O-])c1 ZINC001176236821 778087938 /nfs/dbraw/zinc/08/79/38/778087938.db2.gz FCGQPWDBKVWGFU-UHFFFAOYSA-N -2 0 303.274 1.806 20 0 DDADRL CCOC(=O)c1cc(N)cn1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238880 778088463 /nfs/dbraw/zinc/08/84/63/778088463.db2.gz KTGZWVNLFGMWNA-UHFFFAOYSA-N -2 0 318.285 1.633 20 0 DDADRL NC(=O)Cc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001176244744 778094339 /nfs/dbraw/zinc/09/43/39/778094339.db2.gz PVSJPAHHCZAQIR-UHFFFAOYSA-N -2 0 314.297 1.854 20 0 DDADRL Nc1ccc(N)c(S(=O)(=O)[N-]c2csc(C(=O)[O-])c2)c1 ZINC001176440973 778143727 /nfs/dbraw/zinc/14/37/27/778143727.db2.gz UHXGYCAPYBBKRM-UHFFFAOYSA-N -2 0 313.360 1.412 20 0 DDADRL Cc1ccc(Cl)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001225877306 842353311 /nfs/dbraw/zinc/35/33/11/842353311.db2.gz WCFMZVOUNAIFGT-MRVPVSSYSA-N -2 0 310.626 1.024 20 0 DDADRL COc1cccc2c(C(=O)NCCOP(=O)([O-])[O-])c[nH]c21 ZINC001154882058 861539343 /nfs/dbraw/zinc/53/93/43/861539343.db2.gz KUTZWTPJJPZWSS-UHFFFAOYSA-N -2 0 314.234 1.016 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cc2ccccc2s1 ZINC001149809587 861914725 /nfs/dbraw/zinc/91/47/25/861914725.db2.gz UVHHNRBBSSYMCL-UHFFFAOYSA-N -2 0 301.260 1.740 20 0 DDADRL CCc1c(Cl)nnc(NCCOP(=O)([O-])[O-])c1CC ZINC001157790706 864143396 /nfs/dbraw/zinc/14/33/96/864143396.db2.gz DOUQOQAAGGGMOZ-UHFFFAOYSA-N -2 0 309.690 1.776 20 0 DDADRL O=C([O-])CC[C@@H](O)C(=O)Oc1c(F)c(F)c([O-])c(F)c1F ZINC001225878490 882082832 /nfs/dbraw/zinc/08/28/32/882082832.db2.gz CRKAFZVAMNJKKZ-GSVOUGTGSA-N -2 0 312.171 1.080 20 0 DDADRL O=C([O-])C[C@H](C(=O)Oc1ccc(C2CC2)cc1)[C@@H](O)C(=O)[O-] ZINC001230252877 884391060 /nfs/dbraw/zinc/39/10/60/884391060.db2.gz IWRWBURISDKOPN-WCQYABFASA-N -2 0 308.286 1.006 20 0 DDADRL Cc1cc(C(=O)N=S2(=O)CCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001363576651 886677848 /nfs/dbraw/zinc/67/78/48/886677848.db2.gz KHHXLDJWACIYCT-UHFFFAOYSA-N -2 0 322.346 1.146 20 0 DDADRL COC(=O)[C@@]1(C)C[C@@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234337043 887883127 /nfs/dbraw/zinc/88/31/27/887883127.db2.gz WKOGJWAEADGNSI-BJHJDKERSA-N -2 0 316.246 1.879 20 0 DDADRL CC(C)Cn1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cnc1=O ZINC001242163636 891358263 /nfs/dbraw/zinc/35/82/63/891358263.db2.gz DIAJWQYQHWZSMH-UHFFFAOYSA-N -2 0 316.313 1.963 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1 ZINC000092890078 185347939 /nfs/dbraw/zinc/34/79/39/185347939.db2.gz HBCQYOUNPJJXRZ-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL COC[C@@]1(C(=O)[O-])CCN(c2ncc(C(=O)[O-])cc2Cl)C1 ZINC000634965705 422738379 /nfs/dbraw/zinc/73/83/79/422738379.db2.gz RKIVNERTXLPSCV-CYBMUJFWSA-N -2 0 314.725 1.361 20 0 DDADRL CCn1nccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000471919105 233708718 /nfs/dbraw/zinc/70/87/18/233708718.db2.gz OBIJLDICLGVUCA-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL C[C@@H](NC(=O)CSCC(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594461945 356225719 /nfs/dbraw/zinc/22/57/19/356225719.db2.gz KFVSQGZGGYDZGK-HRDYMLBCSA-N -2 0 303.380 1.056 20 0 DDADRL O=C([O-])CSCC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000595998712 356741022 /nfs/dbraw/zinc/74/10/22/356741022.db2.gz VYMPBZMESWNSIS-NSHDSACASA-N -2 0 309.343 1.015 20 0 DDADRL O=C([O-])C[C@@H]1CCCN(C(=O)N=c2ccc(C3CC3)n[n-]2)C1 ZINC000567477891 304222741 /nfs/dbraw/zinc/22/27/41/304222741.db2.gz MBKRGTXAILCCHN-JTQLQIEISA-N -2 0 304.350 1.495 20 0 DDADRL Cc1ccccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000172601102 162285463 /nfs/dbraw/zinc/28/54/63/162285463.db2.gz UBRUGDYWUUJTKV-UHFFFAOYSA-N -2 0 310.313 1.893 20 0 DDADRL Cc1nc(=NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])s[n-]1 ZINC000354541795 409928334 /nfs/dbraw/zinc/92/83/34/409928334.db2.gz VIHUFXDFXGXTRL-UHFFFAOYSA-N -2 0 319.321 1.551 20 0 DDADRL COCc1nc(=NCc2ccc(OC)c(C(=O)[O-])c2)s[n-]1 ZINC000579957813 422865679 /nfs/dbraw/zinc/86/56/79/422865679.db2.gz ISECNNFZIYUELZ-UHFFFAOYSA-N -2 0 309.347 1.425 20 0 DDADRL Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489696388 421170891 /nfs/dbraw/zinc/17/08/91/421170891.db2.gz JCXZHAXZUDKARL-UHFFFAOYSA-N -2 0 314.294 1.930 20 0 DDADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccnc2)cc1C(=O)[O-] ZINC000548524934 421448460 /nfs/dbraw/zinc/44/84/60/421448460.db2.gz HECQFEUJLWQUGT-UHFFFAOYSA-N -3 0 322.298 1.279 20 0 DDADRL C[C@@H](CCC1CC1)NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000563068174 421450136 /nfs/dbraw/zinc/45/01/36/421450136.db2.gz LGTIIWBZDITFRE-ZETCQYMHSA-N -2 0 304.393 1.698 20 0 DDADRL CCC(CC)(CNC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC000571163386 421693010 /nfs/dbraw/zinc/69/30/10/421693010.db2.gz BVSIDDQHOZLXNB-WDEREUQCSA-N -2 0 314.382 1.630 20 0 DDADRL Cc1csc(S(=O)(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])c1 ZINC000583978830 422228834 /nfs/dbraw/zinc/22/88/34/422228834.db2.gz DOVNUAIVKLSRBO-SKDRFNHKSA-N -2 0 303.405 1.978 20 0 DDADRL Cc1ncc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])n1C ZINC000629288831 422585665 /nfs/dbraw/zinc/58/56/65/422585665.db2.gz UWAWKCGCVMFFTL-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL COC1(CS(=O)(=O)[N-]c2cc(C(C)=O)ccc2[O-])CCC1 ZINC000634791162 422650392 /nfs/dbraw/zinc/65/03/92/422650392.db2.gz NEVBVUPUAJESHB-UHFFFAOYSA-N -2 0 313.375 1.906 20 0 DDADRL CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000653340705 423447005 /nfs/dbraw/zinc/44/70/05/423447005.db2.gz OWCFFJPFNOAJJR-ZDUSSCGKSA-N -2 0 317.345 1.409 20 0 DDADRL CCC(CC)(CNC(=O)c1ccc(OCC(=O)[O-])cc1)C(=O)[O-] ZINC000659763951 424233195 /nfs/dbraw/zinc/23/31/95/424233195.db2.gz MYTHVLCBCCIZTC-UHFFFAOYSA-N -2 0 323.345 1.771 20 0 DDADRL CCn1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cn1 ZINC000362296904 300046827 /nfs/dbraw/zinc/04/68/27/300046827.db2.gz BKVOPSYZIVICQG-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL O=C([O-])NCC(=O)N=c1cc(-c2cc3ccccc3o2)[n-][nH]1 ZINC000376056741 302032774 /nfs/dbraw/zinc/03/27/74/302032774.db2.gz LUPDGOAGLMRDQS-UHFFFAOYSA-N -2 0 300.274 1.451 20 0 DDADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N(C)CC(=O)[O-] ZINC000548432798 303589335 /nfs/dbraw/zinc/58/93/35/303589335.db2.gz OTLWOTIIMRHCFB-UHFFFAOYSA-N -2 0 321.738 1.052 20 0 DDADRL Cc1n[n-]c(=NC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000516530032 307417046 /nfs/dbraw/zinc/41/70/46/307417046.db2.gz DRZXHYHBBJFHEP-SNVBAGLBSA-N -2 0 306.347 1.558 20 0 DDADRL CN(C)c1ccc([N-]S(=O)(=O)c2ccco2)c(C(=O)[O-])c1 ZINC000570450831 308169773 /nfs/dbraw/zinc/16/97/73/308169773.db2.gz LYTNVGKJYFNTBA-UHFFFAOYSA-N -2 0 310.331 1.845 20 0 DDADRL C[C@@H](CC[N-]S(=O)(=O)c1c(F)cccc1F)CC(=O)[O-] ZINC000392835454 337066271 /nfs/dbraw/zinc/06/62/71/337066271.db2.gz KOYIGXDSDPAFFC-QMMMGPOBSA-N -2 0 307.318 1.744 20 0 DDADRL CCS(=O)(=O)[N-][C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000584589100 337370308 /nfs/dbraw/zinc/37/03/08/337370308.db2.gz YCXGAEGZQNOPNH-VIFPVBQESA-N -2 0 311.281 1.928 20 0 DDADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccccc1CC(=O)[O-] ZINC000053200406 597313380 /nfs/dbraw/zinc/31/33/80/597313380.db2.gz UELXSYWWDJOODT-UHFFFAOYSA-N -2 0 309.347 1.454 20 0 DDADRL CC1(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)CCCC1 ZINC000736729230 600100565 /nfs/dbraw/zinc/10/05/65/600100565.db2.gz YIJLRQKEIRFPMO-UHFFFAOYSA-N -2 0 311.359 1.770 20 0 DDADRL O=C([O-])NCc1ccc(NC(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000739991694 600292495 /nfs/dbraw/zinc/29/24/95/600292495.db2.gz LSRKTCVIRNVWGV-UHFFFAOYSA-N -2 0 315.285 1.800 20 0 DDADRL Cc1ccc(CCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1 ZINC000738589656 600464198 /nfs/dbraw/zinc/46/41/98/600464198.db2.gz SCMNDGLMUXJBFH-UHFFFAOYSA-N -2 0 313.375 1.238 20 0 DDADRL C[C@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC(C)(C)C ZINC000736547962 600464707 /nfs/dbraw/zinc/46/47/07/600464707.db2.gz HCGRDWINQOQIFL-SNVBAGLBSA-N -2 0 307.412 1.760 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1C ZINC000038030443 600529178 /nfs/dbraw/zinc/52/91/78/600529178.db2.gz GMEIMDIKSXIWBY-UHFFFAOYSA-N -2 0 309.347 1.385 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1C(=O)[O-] ZINC000738338099 600565165 /nfs/dbraw/zinc/56/51/65/600565165.db2.gz PDRJBUKUEUTUFY-UHFFFAOYSA-N -2 0 320.330 1.698 20 0 DDADRL Cc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)sc1C ZINC000042342783 600827134 /nfs/dbraw/zinc/82/71/34/600827134.db2.gz HWAGHJOILRPBFV-UHFFFAOYSA-N -2 0 315.376 1.597 20 0 DDADRL Cc1nn(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1C ZINC000833014050 601229767 /nfs/dbraw/zinc/22/97/67/601229767.db2.gz IAIXJCZLIRREAL-UHFFFAOYSA-N -2 0 313.335 1.437 20 0 DDADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@@H](C)C(=O)[O-])n2)c1 ZINC000737689244 601755541 /nfs/dbraw/zinc/75/55/41/601755541.db2.gz GUSLLHMBTVNJFD-JTQLQIEISA-N -2 0 317.345 1.904 20 0 DDADRL Cc1[nH]nc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1C ZINC000832990468 602212806 /nfs/dbraw/zinc/21/28/06/602212806.db2.gz BDNCDKOUBMBTNA-UHFFFAOYSA-N -2 0 313.310 1.665 20 0 DDADRL Cc1[nH]nc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1C ZINC000832991442 602212839 /nfs/dbraw/zinc/21/28/39/602212839.db2.gz MKESUWSPDVZWLU-UHFFFAOYSA-N -2 0 313.310 1.665 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)cc1C(=O)[O-] ZINC000833055506 602306507 /nfs/dbraw/zinc/30/65/07/602306507.db2.gz KBAKJGRUNAUIRY-UHFFFAOYSA-N -2 0 310.335 1.125 20 0 DDADRL CN(C(=O)[O-])C1CCN(C(=O)c2cc3c(cc2O)OCO3)CC1 ZINC000737932884 602547754 /nfs/dbraw/zinc/54/77/54/602547754.db2.gz KIRGHIZVYDUNLC-UHFFFAOYSA-N -2 0 322.317 1.335 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H](NC(=O)[O-])C(C)C ZINC000736964495 602728584 /nfs/dbraw/zinc/72/85/84/602728584.db2.gz GOYLHZJYBGKSPB-VHSXEESVSA-N -2 0 308.400 1.161 20 0 DDADRL O=C([O-])N1CCC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000739927526 603240626 /nfs/dbraw/zinc/24/06/26/603240626.db2.gz PPQHRXFFHYSCFY-MRVPVSSYSA-N -2 0 320.317 1.386 20 0 DDADRL CCC[C@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)c1nnn[n-]1 ZINC000826765623 603565505 /nfs/dbraw/zinc/56/55/05/603565505.db2.gz SMHUHXZUMXEJLC-NSHDSACASA-N -2 0 318.337 1.239 20 0 DDADRL C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000826026850 603573106 /nfs/dbraw/zinc/57/31/06/603573106.db2.gz ORMMCMOBJYCADC-QMMMGPOBSA-N -2 0 321.358 1.941 20 0 DDADRL CN(C[C@H]1CCCN1Cc1nc(=O)c2sccc2[n-]1)C(=O)[O-] ZINC000828229914 603578154 /nfs/dbraw/zinc/57/81/54/603578154.db2.gz JKSJFGXUZDZPKF-SECBINFHSA-N -2 0 322.390 1.971 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)CNC(=O)[O-])cc1 ZINC000830415193 603784937 /nfs/dbraw/zinc/78/49/37/603784937.db2.gz QZZWRLCEDPVDEN-UHFFFAOYSA-N -2 0 314.363 1.094 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828862539 604885347 /nfs/dbraw/zinc/88/53/47/604885347.db2.gz NNTKRFHMACLWSM-UHFFFAOYSA-N -2 0 317.338 1.772 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)C2CCN(C(=O)[O-])CC2)cc1 ZINC000834066335 605689397 /nfs/dbraw/zinc/68/93/97/605689397.db2.gz SFVFQQRFUMDXJJ-UHFFFAOYSA-N -2 0 322.317 1.479 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000834064530 605689792 /nfs/dbraw/zinc/68/97/92/605689792.db2.gz AVZKCPUZCVRRIA-MWLCHTKSSA-N -2 0 322.317 1.525 20 0 DDADRL O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)[N-]OCC(F)(F)F ZINC000831742495 605799928 /nfs/dbraw/zinc/79/99/28/605799928.db2.gz HXPZORKWXVABMX-SNVBAGLBSA-N -2 0 318.251 1.874 20 0 DDADRL O=C([O-])NC1(CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CCC1 ZINC000834156027 606031810 /nfs/dbraw/zinc/03/18/10/606031810.db2.gz UKAFIBNWCKLWFL-SRVKXCTJSA-N -2 0 324.377 1.811 20 0 DDADRL O=C([O-])N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000834150080 606033777 /nfs/dbraw/zinc/03/37/77/606033777.db2.gz LADYGJGFOUHNCA-QWHCGFSZSA-N -2 0 320.345 1.189 20 0 DDADRL O=C([O-])CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000834064696 606048114 /nfs/dbraw/zinc/04/81/14/606048114.db2.gz FHKOEXBSHSRJMM-OLZOCXBDSA-N -2 0 320.345 1.536 20 0 DDADRL O=C([O-])CC1(NC(=O)C[C@@H](NC(=O)[O-])c2ccccc2)CCC1 ZINC000834061269 606052388 /nfs/dbraw/zinc/05/23/88/606052388.db2.gz SBOOMZQSPAUVJY-GFCCVEGCSA-N -2 0 320.345 1.899 20 0 DDADRL O=C([O-])Cc1ccccc1NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000834067459 606052421 /nfs/dbraw/zinc/05/24/21/606052421.db2.gz DYEVWENTRJYNTN-MNOVXSKESA-N -2 0 306.318 1.689 20 0 DDADRL Cc1oc(CN(C)C(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])cc1C(=O)[O-] ZINC000833934235 606055070 /nfs/dbraw/zinc/05/50/70/606055070.db2.gz CQEJATJBLHVWHR-ZYHUDNBSSA-N -2 0 324.333 1.681 20 0 DDADRL O=C([O-])NC1(C(=O)NCc2cccc(C(=O)[O-])c2)CCCC1 ZINC000834151439 606057338 /nfs/dbraw/zinc/05/73/38/606057338.db2.gz MCKMHBNHHIKXNV-UHFFFAOYSA-N -2 0 306.318 1.581 20 0 DDADRL O=C([O-])CCc1ccc(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000834059679 606063023 /nfs/dbraw/zinc/06/30/23/606063023.db2.gz KASVNRHPXCLFHX-LLVKDONJSA-N -2 0 306.318 1.642 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000834065427 606066543 /nfs/dbraw/zinc/06/65/43/606066543.db2.gz MEJSRCAJGLXTBQ-LLVKDONJSA-N -2 0 306.318 1.642 20 0 DDADRL COC[C@](C)(CC(=O)[O-])NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000833722373 606068563 /nfs/dbraw/zinc/06/85/63/606068563.db2.gz SMOMANTYFLCRKP-AWEZNQCLSA-N -2 0 310.306 1.386 20 0 DDADRL Cn1c(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n[nH]c1=S ZINC000066625261 696354053 /nfs/dbraw/zinc/35/40/53/696354053.db2.gz JDDJJBMIBYWAOF-UHFFFAOYSA-N -2 0 309.307 1.021 20 0 DDADRL Cc1nn(C)c(-c2ccccc2[C@H](O)CC(=O)[O-])c1C(=O)[O-] ZINC000849476540 703652447 /nfs/dbraw/zinc/65/24/47/703652447.db2.gz TXHSGFDHDUYCDT-LLVKDONJSA-N -2 0 304.302 1.602 20 0 DDADRL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)c1 ZINC000863952300 706044775 /nfs/dbraw/zinc/04/47/75/706044775.db2.gz RDZHQOFKPLJWFQ-LBPRGKRZSA-N -2 0 311.359 1.219 20 0 DDADRL O=C([O-])CCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000863953131 706045073 /nfs/dbraw/zinc/04/50/73/706045073.db2.gz LKOCQUMPHBWNMD-UHFFFAOYSA-N -2 0 311.359 1.235 20 0 DDADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000863952854 706045124 /nfs/dbraw/zinc/04/51/24/706045124.db2.gz GAOBDLZDBDXHNO-ZDUSSCGKSA-N -2 0 315.322 1.132 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])s1 ZINC000863953369 706045594 /nfs/dbraw/zinc/04/55/94/706045594.db2.gz TUVLUMPHJCDTSA-UHFFFAOYSA-N -2 0 305.377 1.506 20 0 DDADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000863953346 706045606 /nfs/dbraw/zinc/04/56/06/706045606.db2.gz NZOXITAIUSDVEQ-AWEZNQCLSA-N -2 0 311.359 1.134 20 0 DDADRL Cc1cccc(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)c1 ZINC000863959606 706046503 /nfs/dbraw/zinc/04/65/03/706046503.db2.gz KLKDGMFFWORVPZ-UHFFFAOYSA-N -2 0 311.359 1.196 20 0 DDADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)c1 ZINC000863963768 706047406 /nfs/dbraw/zinc/04/74/06/706047406.db2.gz GUMKOKIFKGBERY-NRUUGDAUSA-N -2 0 323.370 1.633 20 0 DDADRL O=C([O-])[C@H](F)C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000837296392 707614665 /nfs/dbraw/zinc/61/46/65/707614665.db2.gz OBNYAZXOYKOAFP-RXMQYKEDSA-N -2 0 317.125 1.089 20 0 DDADRL O=C([O-])[C@@]1(F)CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000909305155 712986855 /nfs/dbraw/zinc/98/68/55/712986855.db2.gz QSTIDSOYFFGBAA-GFCCVEGCSA-N -2 0 305.664 1.824 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]OCc1ccccn1 ZINC000909542216 709508544 /nfs/dbraw/zinc/50/85/44/709508544.db2.gz SOVZDEXQGXUFNU-JTQLQIEISA-N -2 0 319.283 1.333 20 0 DDADRL CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)C1 ZINC000900470677 709611099 /nfs/dbraw/zinc/61/10/99/709611099.db2.gz XUOLCJXNEOMCDE-HOTGVXAUSA-N -2 0 309.362 1.901 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCCc2ccccc2)C1 ZINC000910189240 709804198 /nfs/dbraw/zinc/80/41/98/709804198.db2.gz RKAJDGNGYKTFOK-KGLIPLIRSA-N -2 0 319.357 1.786 20 0 DDADRL Cc1cccc(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910189789 709804394 /nfs/dbraw/zinc/80/43/94/709804394.db2.gz TXBLLVMXDTVAKJ-STQMWFEESA-N -2 0 305.330 1.314 20 0 DDADRL C[C@H]1CCCN(C(=O)Cc2ccccc2C(=O)[O-])[C@H]1C(=O)[O-] ZINC000901693344 710120392 /nfs/dbraw/zinc/12/03/92/710120392.db2.gz BXTRJKCKBQTQSC-IINYFYTJSA-N -2 0 305.330 1.639 20 0 DDADRL C[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000906786097 712411322 /nfs/dbraw/zinc/41/13/22/712411322.db2.gz BYMYZUCTBTZPAF-CBAPKCEASA-N -2 0 319.766 1.672 20 0 DDADRL O=C([O-])[C@]1(C(=O)[N-]OCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000907850069 712635645 /nfs/dbraw/zinc/63/56/45/712635645.db2.gz KVPMHWDEVXGIBR-JOYOIKCWSA-N -2 0 303.236 1.855 20 0 DDADRL CC(C)(C)c1ccnc(C(=O)NCCOP(=O)([O-])[O-])c1 ZINC001184566742 744063074 /nfs/dbraw/zinc/06/30/74/744063074.db2.gz UHQLVSUJKLCVGT-UHFFFAOYSA-N -2 0 302.267 1.218 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])Nc1c(F)cc(F)cc1F ZINC001186076761 744332374 /nfs/dbraw/zinc/33/23/74/744332374.db2.gz MLIUFLJGRJMEDC-UHFFFAOYSA-N -2 0 314.156 1.335 20 0 DDADRL CC1(C)[C@H](O)C[C@@H]1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189899302 745048456 /nfs/dbraw/zinc/04/84/56/745048456.db2.gz NYAXQRRTRRSEDK-WDEREUQCSA-N -2 0 315.262 1.047 20 0 DDADRL CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cc(F)c(F)cc1[O-] ZINC001193059142 745976151 /nfs/dbraw/zinc/97/61/51/745976151.db2.gz PAPDZEPKONICJV-UHFFFAOYSA-N -2 0 323.317 1.754 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncnc2)c(F)cc1F ZINC001195185786 746540463 /nfs/dbraw/zinc/54/04/63/746540463.db2.gz TYIVEHALGGFLIL-UHFFFAOYSA-N -2 0 315.257 1.254 20 0 DDADRL O=P([O-])([O-])OCCNc1ccnc(CCc2ccccc2)n1 ZINC001168589762 751204704 /nfs/dbraw/zinc/20/47/04/751204704.db2.gz OTOFGVUOEKTXSL-UHFFFAOYSA-N -2 0 323.289 1.783 20 0 DDADRL CC(=O)Nc1cc(C)c(C)cc1NCCOP(=O)([O-])[O-] ZINC001168591535 751218933 /nfs/dbraw/zinc/21/89/33/751218933.db2.gz ATVQGXIMIDFZNI-UHFFFAOYSA-N -2 0 302.267 1.783 20 0 DDADRL O=c1c(NCCOP(=O)([O-])[O-])cccn1Cc1ccccc1 ZINC001168594816 751257920 /nfs/dbraw/zinc/25/79/20/751257920.db2.gz BLYNSAYCKVFATH-UHFFFAOYSA-N -2 0 324.273 1.418 20 0 DDADRL Nc1cc(Cl)ncc1C(F)(F)NCCOP(=O)([O-])[O-] ZINC001157792237 766663033 /nfs/dbraw/zinc/66/30/33/766663033.db2.gz YIWUKDIESAKKJY-UHFFFAOYSA-N -2 0 317.616 1.065 20 0 DDADRL Cc1ccc2c(N)n(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)nc2n1 ZINC001176236083 778087929 /nfs/dbraw/zinc/08/79/29/778087929.db2.gz AOVUCWBXYBHUQF-UHFFFAOYSA-N -2 0 312.285 1.708 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(Cl)nc2c1CSC2 ZINC001157786770 864137953 /nfs/dbraw/zinc/13/79/53/864137953.db2.gz ARYXYOWQPIYOQZ-UHFFFAOYSA-N -2 0 311.687 1.398 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(C2CCC2)nc2[nH]ccc21 ZINC001157795733 864149605 /nfs/dbraw/zinc/14/96/05/864149605.db2.gz TWMRWGRUUGVAGN-UHFFFAOYSA-N -2 0 312.266 1.747 20 0 DDADRL CC[C@H](C)c1nc2[nH]ccc2c(NCCOP(=O)([O-])[O-])n1 ZINC001157795707 864149807 /nfs/dbraw/zinc/14/98/07/864149807.db2.gz RUHMEZDEZKNVMP-QMMMGPOBSA-N -2 0 314.282 1.993 20 0 DDADRL Nc1cccc(S(=O)(=O)[N-]c2cnc(F)c(C(=O)[O-])c2)c1 ZINC001215111191 876570394 /nfs/dbraw/zinc/57/03/94/876570394.db2.gz FITGGXLIZGOLTJ-UHFFFAOYSA-N -2 0 311.294 1.302 20 0 DDADRL O=P([O-])([O-])Oc1ccc(OC2CCS(=O)(=O)CC2)cc1 ZINC001234341061 887881673 /nfs/dbraw/zinc/88/16/73/887881673.db2.gz WPWSXTPZAYTDHM-UHFFFAOYSA-N -2 0 322.275 1.114 20 0 DDADRL CC(=O)N1CCC(Oc2ccc(OP(=O)([O-])[O-])cc2)CC1 ZINC001234338657 887883189 /nfs/dbraw/zinc/88/31/89/887883189.db2.gz MIALUWVQZWFCKI-UHFFFAOYSA-N -2 0 315.262 1.548 20 0 DDADRL CS(=O)(=O)c1ccccc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001239775693 890739600 /nfs/dbraw/zinc/73/96/00/890739600.db2.gz HWFIAJTWFSSLBA-UHFFFAOYSA-N -2 0 312.283 1.560 20 0 DDADRL Cc1ccc(C(N)=O)c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242160636 891355425 /nfs/dbraw/zinc/35/54/25/891355425.db2.gz MXTBRJFEXBHXRL-UHFFFAOYSA-N -2 0 300.270 1.552 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccnn(CC3CC3)c2=O)c1 ZINC001242163568 891355512 /nfs/dbraw/zinc/35/55/12/891355512.db2.gz AEBMKVNSCOBWQQ-UHFFFAOYSA-N -2 0 314.297 1.717 20 0 DDADRL O=C([O-])c1cnc(F)c(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001244761115 891910399 /nfs/dbraw/zinc/91/03/99/891910399.db2.gz WMAIQTUTKYECQA-UHFFFAOYSA-N -3 0 305.217 1.982 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2ccc(-n3ccc(=O)[n-]3)cc2)cn1 ZINC001259827998 898838915 /nfs/dbraw/zinc/83/89/15/898838915.db2.gz BSIAJSYBWTWVRM-UHFFFAOYSA-N -2 0 319.346 1.112 20 0 DDADRL CC(=O)c1nn(C)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184485 899079100 /nfs/dbraw/zinc/07/91/00/899079100.db2.gz NNBBUOOYFQBZOP-UHFFFAOYSA-N -2 0 323.330 1.122 20 0 DDADRL Cc1conc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260209300 899090679 /nfs/dbraw/zinc/09/06/79/899090679.db2.gz WNPFDRDSALNGBF-UHFFFAOYSA-N -2 0 300.267 1.621 20 0 DDADRL CCOc1cccnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260221719 899094543 /nfs/dbraw/zinc/09/45/43/899094543.db2.gz POYNUGHRCVXQSA-UHFFFAOYSA-N -2 0 322.342 1.979 20 0 DDADRL CC(C)[C@H](C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000087495570 185226700 /nfs/dbraw/zinc/22/67/00/185226700.db2.gz MVULQHJJDXUCHN-QMMMGPOBSA-N -2 0 307.318 1.600 20 0 DDADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cncc(F)c2)c1 ZINC000087844901 185233031 /nfs/dbraw/zinc/23/30/31/185233031.db2.gz AKFZLNOHJDTZFF-UHFFFAOYSA-N -2 0 310.306 1.649 20 0 DDADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccco1 ZINC000358852866 291055808 /nfs/dbraw/zinc/05/58/08/291055808.db2.gz HFDQPYOWTISNFN-UHFFFAOYSA-N -2 0 315.278 1.926 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)c1 ZINC000590695942 355150537 /nfs/dbraw/zinc/15/05/37/355150537.db2.gz INRUJQCLMURSLO-UHFFFAOYSA-N -2 0 319.342 1.853 20 0 DDADRL Cc1nc(C=Cc2cccc(C(=O)[O-])c2)[nH]c(=O)c1CC(=O)[O-] ZINC000349109673 283848028 /nfs/dbraw/zinc/84/80/28/283848028.db2.gz OHFYPESUELHLHC-AATRIKPKSA-N -2 0 314.297 1.986 20 0 DDADRL CC[C@](C)(C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000211125003 288393713 /nfs/dbraw/zinc/39/37/13/288393713.db2.gz MDKXIMPZGYUYFZ-GFCCVEGCSA-N -2 0 307.318 1.744 20 0 DDADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c[nH]cn2)c(Cl)c1 ZINC000071392861 406839580 /nfs/dbraw/zinc/83/95/80/406839580.db2.gz LHGPOEPWPQCIOA-UHFFFAOYSA-N -2 0 301.711 1.562 20 0 DDADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c1 ZINC000185569943 407455143 /nfs/dbraw/zinc/45/51/43/407455143.db2.gz IXDJSEYGNIXBPR-UHFFFAOYSA-N -2 0 323.374 1.892 20 0 DDADRL C[C@@H](CCC[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000229517144 407664701 /nfs/dbraw/zinc/66/47/01/407664701.db2.gz QMUUWAOHKROXDD-QMMMGPOBSA-N -2 0 307.318 1.744 20 0 DDADRL C[C@@H](CN(C)C(=O)c1ccc2[n-]c(=S)oc2c1)c1nnn[n-]1 ZINC000183414222 408405547 /nfs/dbraw/zinc/40/55/47/408405547.db2.gz DQAAETJEFXCKNQ-ZETCQYMHSA-N -2 0 318.362 1.505 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C2CC2)n1 ZINC000290872681 408846989 /nfs/dbraw/zinc/84/69/89/408846989.db2.gz BGJIAWKNQBGFEE-UHFFFAOYSA-N -2 0 321.358 1.797 20 0 DDADRL C[C@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)[C@@H]1C(=O)[O-] ZINC000235713167 163354799 /nfs/dbraw/zinc/35/47/99/163354799.db2.gz CISQGFOWRZRHGO-KWQFWETISA-N -2 0 307.375 1.670 20 0 DDADRL Cc1cc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)ccc1C(=O)[O-] ZINC000342974739 410043762 /nfs/dbraw/zinc/04/37/62/410043762.db2.gz YOGWVKMLMYAGFU-UHFFFAOYSA-N -2 0 324.314 1.520 20 0 DDADRL Cn1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])n1 ZINC000348744607 411071950 /nfs/dbraw/zinc/07/19/50/411071950.db2.gz ZMUUDKQIDANPSB-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000036965499 418414413 /nfs/dbraw/zinc/41/44/13/418414413.db2.gz XURYGRQBKLUIET-GMSGAONNSA-N -2 0 307.318 1.742 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2ccc(F)cc2O)cc1C(=O)[O-] ZINC000360599562 418474334 /nfs/dbraw/zinc/47/43/34/418474334.db2.gz RVBPDPIXQLOZCP-UHFFFAOYSA-N -2 0 314.294 1.369 20 0 DDADRL C[C@H](CN(C)C(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)[O-] ZINC000643430042 423156217 /nfs/dbraw/zinc/15/62/17/423156217.db2.gz CEGMYNUVMPSDHT-SECBINFHSA-N -2 0 321.308 1.510 20 0 DDADRL CCn1nccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000471973977 420961744 /nfs/dbraw/zinc/96/17/44/420961744.db2.gz VHQGSTAZHRSCEN-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000630441669 422106809 /nfs/dbraw/zinc/10/68/09/422106809.db2.gz PCMIVBGAUDDEGE-MRVPVSSYSA-N -2 0 305.739 1.283 20 0 DDADRL C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cc([O-])cc(F)c1 ZINC000630446074 422108263 /nfs/dbraw/zinc/10/82/63/422108263.db2.gz OVYLONPWQRZKKE-RDDDGLTNSA-N -2 0 303.311 1.158 20 0 DDADRL O=C([O-])[C@@]1(CN=c2[n-]c(C(F)(F)F)ns2)CCCOC1 ZINC000630464184 422119703 /nfs/dbraw/zinc/11/97/03/422119703.db2.gz UNFKUYSJJVABPG-SECBINFHSA-N -2 0 311.285 1.272 20 0 DDADRL N=c1[n-]nc(SCc2cc(=O)[nH]c(C3CC3)n2)n1C1CC1 ZINC000578845087 422657307 /nfs/dbraw/zinc/65/73/07/422657307.db2.gz ZPVZSMNKFURNEV-UHFFFAOYSA-N -2 0 304.379 1.691 20 0 DDADRL CC(C)C[C@@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)C(=O)[O-] ZINC000659761871 424229134 /nfs/dbraw/zinc/22/91/34/424229134.db2.gz KGHSAJIKMRERIN-GFCCVEGCSA-N -2 0 309.318 1.379 20 0 DDADRL CC(C)C[C@H](CNC(=O)c1ccc(OCC(=O)[O-])cc1)C(=O)[O-] ZINC000659763786 424232020 /nfs/dbraw/zinc/23/20/20/424232020.db2.gz ISEZYTADZANGPC-GFCCVEGCSA-N -2 0 323.345 1.627 20 0 DDADRL O=C([O-])[C@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000663022584 484606785 /nfs/dbraw/zinc/60/67/85/484606785.db2.gz LGEBTDCJOUKXAA-LLVKDONJSA-N -2 0 319.292 1.406 20 0 DDADRL CC(C)(CCNC(=O)N=c1ccc(C(F)(F)F)n[n-]1)C(=O)[O-] ZINC000424389838 527038456 /nfs/dbraw/zinc/03/84/56/527038456.db2.gz LYJNASBAFVYWFT-UHFFFAOYSA-N -2 0 320.271 1.540 20 0 DDADRL Cc1ncc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])s1 ZINC000230095350 597389400 /nfs/dbraw/zinc/38/94/00/597389400.db2.gz MXCIRMJQNHWQIJ-UHFFFAOYSA-N -2 0 312.372 1.879 20 0 DDADRL O=C([O-])c1ccc(NC(=O)C(=O)[N-]OC2CCCC2)c(F)c1 ZINC000817879187 598175974 /nfs/dbraw/zinc/17/59/74/598175974.db2.gz VNVXRCIYZFHRKK-UHFFFAOYSA-N -2 0 310.281 1.453 20 0 DDADRL CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000314472840 599736044 /nfs/dbraw/zinc/73/60/44/599736044.db2.gz KQUIIGGBZQCZBY-UHFFFAOYSA-N -2 0 324.314 1.138 20 0 DDADRL CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736859827 599953527 /nfs/dbraw/zinc/95/35/27/599953527.db2.gz IMWZZKPCWLOHKR-UHFFFAOYSA-N -2 0 305.377 1.687 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)n(C)n1 ZINC000737251261 600246967 /nfs/dbraw/zinc/24/69/67/600246967.db2.gz BROJNFFPDLVXLQ-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cccc(C(F)F)c1 ZINC000739690790 600459968 /nfs/dbraw/zinc/45/99/68/600459968.db2.gz BMFRZJVVSONERB-UHFFFAOYSA-N -2 0 321.301 1.549 20 0 DDADRL O=C([O-])C[C@H](NC(=O)c1n[nH]c(=O)[n-]1)c1cccc(Cl)c1 ZINC000833200066 600815351 /nfs/dbraw/zinc/81/53/51/600815351.db2.gz GUYXORDNRVGGDS-QMMMGPOBSA-N -2 0 310.697 1.110 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CC23CCCC3)c1 ZINC000833333406 601302999 /nfs/dbraw/zinc/30/29/99/601302999.db2.gz MFOPRXCEXLUYMP-GFCCVEGCSA-N -2 0 323.370 1.770 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)Oc2ccccc2C(=O)[O-])cc1 ZINC000013026760 601354072 /nfs/dbraw/zinc/35/40/72/601354072.db2.gz HVMSSVPHNBIVFK-UHFFFAOYSA-N -2 0 322.294 1.851 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)no1 ZINC000208350578 601360811 /nfs/dbraw/zinc/36/08/11/601360811.db2.gz ODFZGNYMKVWFDQ-DAXSKMNVSA-N -2 0 308.315 1.882 20 0 DDADRL Cc1cccc(C(=O)[O-])c1NS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000832963072 601614530 /nfs/dbraw/zinc/61/45/30/601614530.db2.gz JPSOBYQIVPLJSN-MRVPVSSYSA-N -2 0 301.320 1.156 20 0 DDADRL Cc1ccc(-n2[n-]c(C(=O)N[C@H](C(=O)[O-])C3CC3)cc2=O)cc1 ZINC000832910143 601704041 /nfs/dbraw/zinc/70/40/41/601704041.db2.gz PQPQJCREGDHVQJ-AWEZNQCLSA-N -2 0 315.329 1.067 20 0 DDADRL CCN(CC(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)C(=O)[O-] ZINC000739394922 602865366 /nfs/dbraw/zinc/86/53/66/602865366.db2.gz HFSWRTVYQQJRBO-HJWRWDBZSA-N -2 0 312.347 1.103 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739254176 602929015 /nfs/dbraw/zinc/92/90/15/602929015.db2.gz WZFPYUGXQZZELJ-UHFFFAOYSA-N -2 0 322.427 1.695 20 0 DDADRL C[C@@H](CCNC(=O)CSc1n[n-]c(=S)s1)NC(=O)[O-] ZINC000824786503 603483052 /nfs/dbraw/zinc/48/30/52/603483052.db2.gz MXNFHOSPLGLSIY-YFKPBYRVSA-N -2 0 322.437 1.081 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)[N-]S(=O)(=O)C2CCCC2)o1 ZINC000832701985 604126179 /nfs/dbraw/zinc/12/61/79/604126179.db2.gz JLIHNDMGEKTJNQ-UHFFFAOYSA-N -2 0 316.335 1.049 20 0 DDADRL Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000830592083 604250272 /nfs/dbraw/zinc/25/02/72/604250272.db2.gz VLBAPFMEOXOBNR-SNVBAGLBSA-N -2 0 314.363 1.046 20 0 DDADRL CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000826793798 604370519 /nfs/dbraw/zinc/37/05/19/604370519.db2.gz SDAVXIPQGBPATD-MNOVXSKESA-N -2 0 300.355 1.382 20 0 DDADRL CC(C)n1cnc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c1 ZINC000833513259 605183813 /nfs/dbraw/zinc/18/38/13/605183813.db2.gz IXMVFTKJSWRIGW-UHFFFAOYSA-N -2 0 310.335 1.358 20 0 DDADRL O=C(CC1CCCCC1)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000831313149 605278209 /nfs/dbraw/zinc/27/82/09/605278209.db2.gz CEZHNXQTJXBHGS-NSHDSACASA-N -2 0 318.395 1.155 20 0 DDADRL O=C([O-])N[C@H]1CCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000832375291 605570003 /nfs/dbraw/zinc/57/00/03/605570003.db2.gz FIZKCGYGMVUQTJ-ZETCQYMHSA-N -2 0 302.689 1.667 20 0 DDADRL O=C([O-])N1CCC[C@H](NC(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000831590029 605717169 /nfs/dbraw/zinc/71/71/69/605717169.db2.gz AGMWQZZOMUGKJO-VIFPVBQESA-N -2 0 321.358 1.989 20 0 DDADRL O=C([O-])N1CC(CNS(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000834068641 605726942 /nfs/dbraw/zinc/72/69/42/605726942.db2.gz HATSQBSSEXUUIC-UHFFFAOYSA-N -2 0 322.745 1.367 20 0 DDADRL O=C([O-])N[C@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)C1CC1 ZINC000834148497 605992989 /nfs/dbraw/zinc/99/29/89/605992989.db2.gz XGGPKPWKWWRVKG-SNVBAGLBSA-N -2 0 321.358 1.893 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000834245857 606034747 /nfs/dbraw/zinc/03/47/47/606034747.db2.gz GTJYGYUCYGDBME-LBPRGKRZSA-N -2 0 306.318 1.534 20 0 DDADRL O=C([O-])c1ccc2c(c1)CCN2C(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000834282561 606034926 /nfs/dbraw/zinc/03/49/26/606034926.db2.gz BEDZXWDTCKVBKE-GFCCVEGCSA-N -2 0 318.329 1.806 20 0 DDADRL O=C([O-])c1ccc(NC(=O)[C@H]2CCN(C(=O)[O-])C2)cc1Cl ZINC000834282659 606037466 /nfs/dbraw/zinc/03/74/66/606037466.db2.gz CXSGCPXBIJJRRI-ZETCQYMHSA-N -2 0 312.709 1.977 20 0 DDADRL O=C([O-])NCC(=O)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000834199780 606061353 /nfs/dbraw/zinc/06/13/53/606061353.db2.gz MRGIUKZSQKPDLP-UHFFFAOYSA-N -2 0 314.344 1.545 20 0 DDADRL O=C([O-])[C@@H](CNC(=O)[C@@H]1CCCCN1C(=O)[O-])c1ccccc1 ZINC000834057247 606065221 /nfs/dbraw/zinc/06/52/21/606065221.db2.gz CFPKOTCYGVBDIA-STQMWFEESA-N -2 0 320.345 1.504 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000834065429 606066529 /nfs/dbraw/zinc/06/65/29/606066529.db2.gz MEJSRCAJGLXTBQ-NSHDSACASA-N -2 0 306.318 1.642 20 0 DDADRL O=C([O-])c1cccc(CCNC(=O)[C@H]2CSCN2C(=O)[O-])c1 ZINC000834282801 606113936 /nfs/dbraw/zinc/11/39/36/606113936.db2.gz GKERBZOFKQMIFP-LLVKDONJSA-N -2 0 324.358 1.096 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cn1 ZINC000032630684 696124958 /nfs/dbraw/zinc/12/49/58/696124958.db2.gz MINPHKIVJLAFOS-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]Oc1ccccc1F ZINC000874910606 705224270 /nfs/dbraw/zinc/22/42/70/705224270.db2.gz VIUKGURSTQLAHR-JTQLQIEISA-N -2 0 322.258 1.939 20 0 DDADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000863953283 706045475 /nfs/dbraw/zinc/04/54/75/706045475.db2.gz RIFJATVKYGLLQO-KHPPLWFESA-N -2 0 311.359 1.748 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)CCCC(F)(F)F ZINC000863958075 706046573 /nfs/dbraw/zinc/04/65/73/706046573.db2.gz ZQSYMBKCZXJINN-ZETCQYMHSA-N -2 0 319.301 1.132 20 0 DDADRL C[C@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)C(F)(F)F ZINC000871963560 707257078 /nfs/dbraw/zinc/25/70/78/707257078.db2.gz PDUKOSGMHBEEGA-YFKPBYRVSA-N -2 0 315.244 1.753 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)C1Cc2ccccc2C1 ZINC000910181862 709800306 /nfs/dbraw/zinc/80/03/06/709800306.db2.gz DNYJMOJUYAPJRZ-GXTWGEPZSA-N -2 0 317.341 1.178 20 0 DDADRL CC1(C)CCC[C@H](C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])C1 ZINC000910183502 709801040 /nfs/dbraw/zinc/80/10/40/709801040.db2.gz LOEOJSQXQOHDGP-TUAOUCFPSA-N -2 0 311.378 1.979 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)C=C2CCSCC2)C1 ZINC000910184947 709801320 /nfs/dbraw/zinc/80/13/20/709801320.db2.gz SOCXHMAABDCOQL-QWRGUYRKSA-N -2 0 313.375 1.216 20 0 DDADRL CC[C@H]1CC[C@H](C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])CC1 ZINC000910185494 709801814 /nfs/dbraw/zinc/80/18/14/709801814.db2.gz WLLHTTZVNFHYQQ-CYDGBPFRSA-N -2 0 311.378 1.979 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCc2ccccc2F)C1 ZINC000910186022 709802095 /nfs/dbraw/zinc/80/20/95/709802095.db2.gz MEOPZQPVQRVESU-AAEUAGOBSA-N -2 0 323.320 1.535 20 0 DDADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)C1 ZINC000901652063 710108623 /nfs/dbraw/zinc/10/86/23/710108623.db2.gz UALQSLJUEVNPQZ-VHSXEESVSA-N -2 0 311.378 1.693 20 0 DDADRL CO[C@H](C)CS(=O)(=O)[N-]c1cc(C(C)=O)cc(F)c1[O-] ZINC000901952176 710182889 /nfs/dbraw/zinc/18/28/89/710182889.db2.gz GMIDVNCREXNLKT-SSDOTTSWSA-N -2 0 305.327 1.511 20 0 DDADRL CC(C)(C)c1ccc(C(=O)N[C@@H]2SC(=O)[N-]C2=O)c(O)c1 ZINC001192336460 745757307 /nfs/dbraw/zinc/75/73/07/745757307.db2.gz XCVFUTCETHLWDO-GFCCVEGCSA-N -2 0 308.359 1.729 20 0 DDADRL O=C([O-])c1ccc(NC(=S)Nc2cc(=O)[nH]c(=S)[nH]2)cc1 ZINC001197075481 747055724 /nfs/dbraw/zinc/05/57/24/747055724.db2.gz OLHTUTZGOFMHBI-UHFFFAOYSA-N -2 0 322.371 1.978 20 0 DDADRL COc1ncc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1C ZINC001198739776 747585481 /nfs/dbraw/zinc/58/54/81/747585481.db2.gz ZXBFCYCQSIMLCH-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1ccc(C2CCC2)nc1 ZINC001199291604 747778129 /nfs/dbraw/zinc/77/81/29/747778129.db2.gz SPJZHCNYRJDLHX-UHFFFAOYSA-N -2 0 300.251 1.188 20 0 DDADRL Cc1nc2cnc(Cl)cc2c(NCCOP(=O)([O-])[O-])n1 ZINC001168587021 751181869 /nfs/dbraw/zinc/18/18/69/751181869.db2.gz NNKFINGQGNUDLR-UHFFFAOYSA-N -2 0 318.657 1.508 20 0 DDADRL O=P([O-])([O-])OCCNc1ncccc1C1CCOCC1 ZINC001168590201 751207926 /nfs/dbraw/zinc/20/79/26/751207926.db2.gz VNCYHUQZWSQBRC-UHFFFAOYSA-N -2 0 302.267 1.497 20 0 DDADRL CC1(C)CC(=O)Nc2nc(NCCOP(=O)([O-])[O-])ccc21 ZINC001168590216 751208325 /nfs/dbraw/zinc/20/83/25/751208325.db2.gz WGXLGLQCVJGRJA-UHFFFAOYSA-N -2 0 315.266 1.223 20 0 DDADRL CC1(C)CC(=O)Nc2cccc(NCCOP(=O)([O-])[O-])c21 ZINC001168595403 751263706 /nfs/dbraw/zinc/26/37/06/751263706.db2.gz KNOJOKRVAARBLH-UHFFFAOYSA-N -2 0 314.278 1.828 20 0 DDADRL Nc1cncc(S(=O)(=O)[N-]c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001176593720 778177572 /nfs/dbraw/zinc/17/75/72/778177572.db2.gz FYNTZYZXFKRICK-ZZXKWVIFSA-N -2 0 319.342 1.562 20 0 DDADRL O=P([O-])([O-])OCCNc1nccc2c(Cl)ccnc21 ZINC001157787529 864140044 /nfs/dbraw/zinc/14/00/44/864140044.db2.gz LPFIUMXXPLKXPF-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL CCCc1ccccc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001227171798 882889389 /nfs/dbraw/zinc/88/93/89/882889389.db2.gz HKEVRQHEDZLUBC-SNVBAGLBSA-N -2 0 304.235 1.015 20 0 DDADRL O=C([O-])C[C@@H](C(=O)OCc1coc2ccccc12)[C@H](O)C(=O)[O-] ZINC001224142575 881240125 /nfs/dbraw/zinc/24/01/25/881240125.db2.gz GYCDLRAOGIDQFE-MFKMUULPSA-N -2 0 322.269 1.012 20 0 DDADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cnn(CC2OCCO2)c1 ZINC001236294639 889166990 /nfs/dbraw/zinc/16/69/90/889166990.db2.gz MJQKNXBNSHABKI-UHFFFAOYSA-N -2 0 318.285 1.319 20 0 DDADRL NC(=O)c1cc(F)cnc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242160720 891357034 /nfs/dbraw/zinc/35/70/34/891357034.db2.gz PFISYISVJIANCK-UHFFFAOYSA-N -2 0 304.233 1.383 20 0 DDADRL O=P([O-])([O-])c1ccc(-c2cccnc2N2CCOCC2)cc1 ZINC001243462449 891660627 /nfs/dbraw/zinc/66/06/27/891660627.db2.gz IHTAYXOPFINFFY-UHFFFAOYSA-N -2 0 320.285 1.388 20 0 DDADRL CC(C)CS(=O)(=O)[N-]c1ncc(Br)cc1[O-] ZINC001259878487 898889151 /nfs/dbraw/zinc/88/91/51/898889151.db2.gz RADGNZNLZBUYAK-UHFFFAOYSA-N -2 0 309.185 1.947 20 0 DDADRL COc1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1C ZINC001260183367 899076529 /nfs/dbraw/zinc/07/65/29/899076529.db2.gz NMVFCVUCNNXQCR-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ncc(F)s2)c1 ZINC001260183288 899077512 /nfs/dbraw/zinc/07/75/12/899077512.db2.gz IJBSMIOCMMKDNQ-UHFFFAOYSA-N -2 0 302.308 1.781 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccn3nccc23)c1 ZINC001260185245 899079048 /nfs/dbraw/zinc/07/90/48/899079048.db2.gz YJXZFDVEKYYIQM-UHFFFAOYSA-N -2 0 317.326 1.833 20 0 DDADRL Cc1noc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1C ZINC000088245268 185243425 /nfs/dbraw/zinc/24/34/25/185243425.db2.gz DBGFGPMHMSAXMD-UHFFFAOYSA-N -2 0 302.333 1.852 20 0 DDADRL C[C@H](CC(=O)[O-])CC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000315025098 354490310 /nfs/dbraw/zinc/49/03/10/354490310.db2.gz LRSCGFWBHSQFFA-QMMMGPOBSA-N -2 0 323.374 1.856 20 0 DDADRL C[C@@H]1CN(C(=O)NCc2cccc(C(=O)[O-])c2)CC[C@@H]1C(=O)[O-] ZINC000626767723 367735144 /nfs/dbraw/zinc/73/51/44/367735144.db2.gz SKHBMLUHGXDNKR-MFKMUULPSA-N -2 0 320.345 1.637 20 0 DDADRL COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1O ZINC000351745711 284494433 /nfs/dbraw/zinc/49/44/33/284494433.db2.gz CGBWEOUENHRRHQ-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)c[nH]1 ZINC000285166394 218316803 /nfs/dbraw/zinc/31/68/03/218316803.db2.gz STSJKYKDSIZQHS-UHFFFAOYSA-N -2 0 310.335 1.047 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)[nH]n2)c[nH]1 ZINC000340581616 251122855 /nfs/dbraw/zinc/12/28/55/251122855.db2.gz SQZYJXNOAHTGQT-UHFFFAOYSA-N -2 0 324.240 1.256 20 0 DDADRL CCC[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000037908981 406995091 /nfs/dbraw/zinc/99/50/91/406995091.db2.gz LPGIKUGAUCVBME-SECBINFHSA-N -2 0 311.281 1.636 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)nc1C ZINC000050265462 407129414 /nfs/dbraw/zinc/12/94/14/407129414.db2.gz BZVVUXDEENSZRE-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL CCOCCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC ZINC000111309576 407406676 /nfs/dbraw/zinc/40/66/76/407406676.db2.gz GGYGVHXRLHBARA-UHFFFAOYSA-N -2 0 303.336 1.172 20 0 DDADRL Cc1cc(C(=O)N[C@H](C)c2ccccc2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000151418533 408309332 /nfs/dbraw/zinc/30/93/32/408309332.db2.gz PIBHIKNPBJIRMU-SNVBAGLBSA-N -2 0 324.340 1.823 20 0 DDADRL COc1cc([N-]S(=O)(=O)c2c[nH]nc2C)ccc1C(=O)[O-] ZINC000227178219 163337767 /nfs/dbraw/zinc/33/77/67/163337767.db2.gz DIVXIUVYRLOKJO-UHFFFAOYSA-N -2 0 311.319 1.226 20 0 DDADRL Cc1n[n-]c(=NC(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])s1 ZINC000388873131 418748096 /nfs/dbraw/zinc/74/80/96/418748096.db2.gz QCLVURZPLUEYLA-LLVKDONJSA-N -2 0 318.358 1.484 20 0 DDADRL Cc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000438720133 420464684 /nfs/dbraw/zinc/46/46/84/420464684.db2.gz FQYXBUZJRCGGOA-UHFFFAOYSA-N -2 0 324.314 1.520 20 0 DDADRL C[C@@H]1CC(NS(=O)(=O)c2scnc2C(=O)[O-])C[C@@H](C)O1 ZINC000563071049 421450339 /nfs/dbraw/zinc/45/03/39/421450339.db2.gz SADRMLVJTRQVOM-RNFRBKRXSA-N -2 0 320.392 1.076 20 0 DDADRL Cc1onc(N)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000583603063 422193037 /nfs/dbraw/zinc/19/30/37/422193037.db2.gz KZAZVAZHVHZMPS-UHFFFAOYSA-N -2 0 315.282 1.034 20 0 DDADRL CC1(C)C[C@@H](S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)CO1 ZINC000629296959 422590419 /nfs/dbraw/zinc/59/04/19/422590419.db2.gz QIAQLGNBPPECJG-SECBINFHSA-N -2 0 315.347 1.400 20 0 DDADRL CC(C)C[C@@H](CNC(=O)NCc1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC000644178076 423529807 /nfs/dbraw/zinc/52/98/07/423529807.db2.gz ZKZKNOPTRXJXLQ-ZDUSSCGKSA-N -2 0 322.361 1.931 20 0 DDADRL O=C(N=c1[n-]nc(C(F)F)s1)c1ccc2oc(=O)nc-2[n-]1 ZINC000646756300 423597863 /nfs/dbraw/zinc/59/78/63/423597863.db2.gz KYFCWINCRDPMCP-UHFFFAOYSA-N -2 0 313.245 1.392 20 0 DDADRL O=C([O-])c1cn(CCN=c2nc(C3CCCCC3)[n-]s2)nn1 ZINC000649407579 423867479 /nfs/dbraw/zinc/86/74/79/423867479.db2.gz GCILFJNFPGSVCX-UHFFFAOYSA-N -2 0 322.394 1.410 20 0 DDADRL O=C([O-])COc1cccc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000659761858 424229259 /nfs/dbraw/zinc/22/92/59/424229259.db2.gz JISPYNGJRIWEIT-LLVKDONJSA-N -2 0 321.329 1.477 20 0 DDADRL CC(C)C[C@H](CNC(=O)NC[C@H](C(=O)[O-])C1CCC1)C(=O)[O-] ZINC000665313914 424781032 /nfs/dbraw/zinc/78/10/32/424781032.db2.gz YDUJNIPFEIRACQ-NEPJUHHUSA-N -2 0 314.382 1.533 20 0 DDADRL C/C=C/C[C@@H](NS(=O)(=O)c1cnc(CC)s1)C(=O)[O-] ZINC000582358366 326018073 /nfs/dbraw/zinc/01/80/73/326018073.db2.gz SXSSATDTAXDUFQ-RYEJSQLPSA-N -2 0 304.393 1.403 20 0 DDADRL O=C([O-])C1(CNC(=O)c2cc(F)c(F)c([O-])c2F)CCC1 ZINC000166650239 484087437 /nfs/dbraw/zinc/08/74/37/484087437.db2.gz UNKMPZFJFHQGMY-UHFFFAOYSA-N -2 0 303.236 1.794 20 0 DDADRL O=C([O-])[C@H](C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1)C1CC1 ZINC000663056592 484632979 /nfs/dbraw/zinc/63/29/79/484632979.db2.gz CSPAHCLZYCGPFB-RDBSUJKOSA-N -2 0 317.341 1.424 20 0 DDADRL C[C@@H]1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC000663058608 484634119 /nfs/dbraw/zinc/63/41/19/484634119.db2.gz VZWKZWWZLLDQEU-ZWNOBZJWSA-N -2 0 321.329 1.333 20 0 DDADRL O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000119511910 490605192 /nfs/dbraw/zinc/60/51/92/490605192.db2.gz BOBKOFTXMAXWNF-SECBINFHSA-N -2 0 307.741 1.579 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)nc2)s1 ZINC000222063854 602157023 /nfs/dbraw/zinc/15/70/23/602157023.db2.gz HRKGDGPFNGDOJY-UHFFFAOYSA-N -2 0 302.308 1.781 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1C ZINC000738655430 599739276 /nfs/dbraw/zinc/73/92/76/599739276.db2.gz UKQKETIJXKIDBI-UHFFFAOYSA-N -2 0 309.347 1.385 20 0 DDADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000036983911 599864466 /nfs/dbraw/zinc/86/44/66/599864466.db2.gz DPELWOCZCGRVEU-UHFFFAOYSA-N -2 0 308.315 1.346 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1C(=O)[O-] ZINC000738828653 600229334 /nfs/dbraw/zinc/22/93/34/600229334.db2.gz IDBWHHURBQFFOV-UHFFFAOYSA-N -2 0 315.738 1.871 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c(C)c1 ZINC000038030439 600529015 /nfs/dbraw/zinc/52/90/15/600529015.db2.gz ZXUQEYMJAAIQOQ-UHFFFAOYSA-N -2 0 309.347 1.385 20 0 DDADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1 ZINC000038030382 600529319 /nfs/dbraw/zinc/52/93/19/600529319.db2.gz PHQCXTYKEDXOMN-UHFFFAOYSA-N -2 0 313.310 1.216 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CC1CCCCCC1 ZINC000833228503 601143470 /nfs/dbraw/zinc/14/34/70/601143470.db2.gz PZALYCLMPUTXKA-UHFFFAOYSA-N -2 0 305.396 1.658 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2O)o1 ZINC000833323560 601251714 /nfs/dbraw/zinc/25/17/14/601251714.db2.gz NPDCHYNGZHGVFG-UHFFFAOYSA-N -2 0 301.251 1.623 20 0 DDADRL C[C@H](CN(C)C(=O)CSc1n[n-]c(=S)s1)C(=O)[O-] ZINC000827436982 601285018 /nfs/dbraw/zinc/28/50/18/601285018.db2.gz PHQZTCVAZMQRCD-RXMQYKEDSA-N -2 0 307.422 1.098 20 0 DDADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1C1CC1 ZINC000833348547 601363782 /nfs/dbraw/zinc/36/37/82/601363782.db2.gz ZDOHXMZROULXSO-YUMQZZPRSA-N -2 0 315.372 1.297 20 0 DDADRL C[C@@H]1CC/C(=C/C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000828200477 601546316 /nfs/dbraw/zinc/54/63/16/601546316.db2.gz GMRQTCFSKSDTMX-UBYNWHESSA-N -2 0 323.370 1.936 20 0 DDADRL Cc1nc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)s1 ZINC000832995697 601783839 /nfs/dbraw/zinc/78/38/39/601783839.db2.gz HEGSMDSTMJWNCQ-UHFFFAOYSA-N -2 0 315.376 1.597 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)c2n[n-]c3ccccc3c2=O)c1 ZINC000767097972 602023795 /nfs/dbraw/zinc/02/37/95/602023795.db2.gz AHONZFBNLLEDCR-UHFFFAOYSA-N -2 0 323.308 1.964 20 0 DDADRL O=C([O-])c1nscc1[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000833347139 602156575 /nfs/dbraw/zinc/15/65/75/602156575.db2.gz VBNHDNDLCVQVAX-UHFFFAOYSA-N -2 0 316.335 1.922 20 0 DDADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000827304526 602178089 /nfs/dbraw/zinc/17/80/89/602178089.db2.gz WXUPQZQOQPPHFC-YFKPBYRVSA-N -2 0 311.768 1.317 20 0 DDADRL O=C([O-])NCc1cccc([N-]S(=O)(=O)c2cccnc2)c1 ZINC000740680848 602656141 /nfs/dbraw/zinc/65/61/41/602656141.db2.gz XRRWWPZQILYAHV-UHFFFAOYSA-N -2 0 307.331 1.650 20 0 DDADRL CC(C)[C@H](C[N-]S(=O)(=O)c1c(F)cccc1F)NC(=O)[O-] ZINC000738793053 602786783 /nfs/dbraw/zinc/78/67/83/602786783.db2.gz JRCMJEIDUGJYII-JTQLQIEISA-N -2 0 322.333 1.535 20 0 DDADRL C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)[N-]OCc1ccccc1 ZINC000739197501 603113282 /nfs/dbraw/zinc/11/32/82/603113282.db2.gz AFXKZQZUWUBUPV-JQWIXIFHSA-N -2 0 308.334 1.738 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000826576738 603448098 /nfs/dbraw/zinc/44/80/98/603448098.db2.gz ZPIXGCFPFRKMDB-RKDXNWHRSA-N -2 0 306.384 1.057 20 0 DDADRL Cc1nc(C)c(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)s1 ZINC000833754800 604661514 /nfs/dbraw/zinc/66/15/14/604661514.db2.gz JFDQJFKBFOZRKC-UHFFFAOYSA-N -2 0 313.360 1.654 20 0 DDADRL C[C@@H](Sc1ccccc1C(=O)OCc1n[nH]c(=O)[n-]1)C(=O)[O-] ZINC000833545939 605070179 /nfs/dbraw/zinc/07/01/79/605070179.db2.gz WTGMXDZDZBQWBJ-SSDOTTSWSA-N -2 0 323.330 1.433 20 0 DDADRL O=C([O-])N1CCO[C@@H](C(=O)Nc2cccc(Cl)c2[O-])C1 ZINC000831786125 605305433 /nfs/dbraw/zinc/30/54/33/605305433.db2.gz XCDSKPKSGYNPEK-SECBINFHSA-N -2 0 300.698 1.363 20 0 DDADRL Cc1noc(C)c1CSCC(=O)[N-]OC[C@H](C)NC(=O)[O-] ZINC000833931345 605401226 /nfs/dbraw/zinc/40/12/26/605401226.db2.gz BXZGWQYMJBKHRK-ZETCQYMHSA-N -2 0 317.367 1.229 20 0 DDADRL O=C(CC[C@@H]1CCCN1C(=O)[O-])[N-]S(=O)(=O)C1CCCC1 ZINC000833997907 605513034 /nfs/dbraw/zinc/51/30/34/605513034.db2.gz KGNXJNNLTXJQSA-JTQLQIEISA-N -2 0 318.395 1.298 20 0 DDADRL O=C([O-])NC[C@H](C(=O)[N-]OCc1cccnc1)c1ccccc1 ZINC000834209755 605656144 /nfs/dbraw/zinc/65/61/44/605656144.db2.gz JNHIRNBUDATXJK-AWEZNQCLSA-N -2 0 315.329 1.681 20 0 DDADRL CC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833639865 605678389 /nfs/dbraw/zinc/67/83/89/605678389.db2.gz ZJLDICLWCFHZSM-JGVFFNPUSA-N -2 0 319.404 1.933 20 0 DDADRL COc1ccc(C(=O)N(C2CC2)[C@H]2CCN(C(=O)[O-])C2)c(O)c1 ZINC000829276551 605868656 /nfs/dbraw/zinc/86/86/56/605868656.db2.gz IVSZAXOGVHRZDK-NSHDSACASA-N -2 0 320.345 1.758 20 0 DDADRL O=C([O-])C[C@@H](NC(=O)CC1(NC(=O)[O-])CCC1)c1ccccc1 ZINC000834061166 606029632 /nfs/dbraw/zinc/02/96/32/606029632.db2.gz PRZOJNTYSZAOLE-GFCCVEGCSA-N -2 0 320.345 1.899 20 0 DDADRL O=C([O-])Nc1ccc(CC(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000834256023 606034819 /nfs/dbraw/zinc/03/48/19/606034819.db2.gz NJVKNTXSLWNXJM-LBPRGKRZSA-N -2 0 306.318 1.785 20 0 DDADRL O=C([O-])[C@H](NC(=O)C1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000834013887 606048415 /nfs/dbraw/zinc/04/84/15/606048415.db2.gz CXIBIOYNOPIQBH-GFCCVEGCSA-N -2 0 306.318 1.319 20 0 DDADRL O=C([O-])CC1(NC(=O)C2CCN(C(=O)[O-])CC2)CCCCC1 ZINC000834061770 606052666 /nfs/dbraw/zinc/05/26/66/606052666.db2.gz ZWSMFBOCCYIAEG-UHFFFAOYSA-N -2 0 312.366 1.670 20 0 DDADRL Cc1oc(CN(C)C(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])cc1C(=O)[O-] ZINC000833934234 606055052 /nfs/dbraw/zinc/05/50/52/606055052.db2.gz CQEJATJBLHVWHR-PWSUYJOCSA-N -2 0 324.333 1.681 20 0 DDADRL O=C([O-])/C=C/c1ccc(NC(=O)COC2CN(C(=O)[O-])C2)cc1 ZINC000834061597 606055672 /nfs/dbraw/zinc/05/56/72/606055672.db2.gz XEUQYZGOMSQYMS-ZZXKWVIFSA-N -2 0 320.301 1.102 20 0 DDADRL O=C([O-])N[C@H](C(=O)NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000834251988 606062830 /nfs/dbraw/zinc/06/28/30/606062830.db2.gz SZENPMMZXHIAGV-LBPRGKRZSA-N -2 0 318.285 1.603 20 0 DDADRL O=C([O-])CCc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[O-])cc1 ZINC000834058843 606063427 /nfs/dbraw/zinc/06/34/27/606063427.db2.gz FGLXLCZGEVYQFW-NSHDSACASA-N -2 0 324.358 1.695 20 0 DDADRL CC(C)C[C@@H](CNC(=O)[C@H]1CCCCN1C(=O)[O-])C(=O)[O-] ZINC000833796790 606064230 /nfs/dbraw/zinc/06/42/30/606064230.db2.gz ZQSGFXUAFKAQGX-WDEREUQCSA-N -2 0 300.355 1.382 20 0 DDADRL CC(C)C[C@H](CNC(=O)[C@@H](NC(=O)[O-])c1ccccc1)C(=O)[O-] ZINC000833793559 606064282 /nfs/dbraw/zinc/06/42/82/606064282.db2.gz FVSZPRVXXHTGQY-OLZOCXBDSA-N -2 0 322.361 1.858 20 0 DDADRL O=C([O-])NC[C@H](C(=O)N1CC[C@@](F)(C(=O)[O-])C1)c1ccccc1 ZINC000834210481 606066754 /nfs/dbraw/zinc/06/67/54/606066754.db2.gz PXCRLCZIKLHALT-NHYWBVRUSA-N -2 0 324.308 1.063 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)c1 ZINC000834066802 606067067 /nfs/dbraw/zinc/06/70/67/606067067.db2.gz WUGJDUDXQFDPBB-PWSUYJOCSA-N -2 0 306.318 1.689 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)[C@@H]2CSCN2C(=O)[O-])CC1 ZINC000834060596 606113559 /nfs/dbraw/zinc/11/35/59/606113559.db2.gz SHVMDGKGQDXLGE-JTQLQIEISA-N -2 0 316.379 1.143 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]O[C@H]1CCCCO1 ZINC000183655488 697491726 /nfs/dbraw/zinc/49/17/26/697491726.db2.gz IZISKXHQVAKJBY-IUCAKERBSA-N -2 0 312.288 1.264 20 0 DDADRL CC(C)N(C)S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000776453857 698107325 /nfs/dbraw/zinc/10/73/25/698107325.db2.gz PIVUFQVQAYKVQB-UHFFFAOYSA-N -2 0 316.335 1.080 20 0 DDADRL C[C@H](F)CCNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000702602336 699231237 /nfs/dbraw/zinc/23/12/37/699231237.db2.gz MDWFMNWUNXPKCG-LURJTMIESA-N -2 0 311.281 1.689 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1ccc(Oc2ccccc2)o1 ZINC000816734686 702169973 /nfs/dbraw/zinc/16/99/73/702169973.db2.gz ZPDOBHVDIZXZOY-UHFFFAOYSA-N -2 0 302.246 1.459 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)nn1C ZINC000817353926 702348441 /nfs/dbraw/zinc/34/84/41/702348441.db2.gz XOHCRNOELJJOAT-UHFFFAOYSA-N -2 0 315.376 1.543 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]CCSC[C@@H](C)C(=O)[O-] ZINC000843299929 702856136 /nfs/dbraw/zinc/85/61/36/702856136.db2.gz ZSIOTJDKJYQHFB-RNFRBKRXSA-N -2 0 323.358 1.311 20 0 DDADRL Cc1cc(C(=O)[N-]n2c(=O)[n-][nH]c2=O)nn1C1CCCCC1 ZINC000854612145 704425776 /nfs/dbraw/zinc/42/57/76/704425776.db2.gz FTFOKLMGWMMBEZ-UHFFFAOYSA-N -2 0 306.326 1.083 20 0 DDADRL CC(C)(C)CS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000823766486 705313087 /nfs/dbraw/zinc/31/30/87/705313087.db2.gz OSRFFHBNCIQFOZ-VHSXEESVSA-N -2 0 320.411 1.305 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)s1 ZINC000863952565 706045183 /nfs/dbraw/zinc/04/51/83/706045183.db2.gz BPRXLWHPNJWNFD-BDAKNGLRSA-N -2 0 317.388 1.362 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C)s1 ZINC000863953486 706045324 /nfs/dbraw/zinc/04/53/24/706045324.db2.gz WDKJTAXBNNYHOX-VIFPVBQESA-N -2 0 319.404 1.608 20 0 DDADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)nc1 ZINC000863954348 706045400 /nfs/dbraw/zinc/04/54/00/706045400.db2.gz WOQFWVQKAPKFRS-UHFFFAOYSA-N -2 0 312.347 1.172 20 0 DDADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)cn1 ZINC000863964194 706047753 /nfs/dbraw/zinc/04/77/53/706047753.db2.gz ORXXAVFVAOXUEY-VDDIYKPWSA-N -2 0 324.358 1.028 20 0 DDADRL O=S(=O)(C[C@H]1CCCOC1)[N-]c1cc(F)cc(F)c1[O-] ZINC000882744768 707770508 /nfs/dbraw/zinc/77/05/08/707770508.db2.gz PLXNVXCGIKLWTB-QMMMGPOBSA-N -2 0 307.318 1.839 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)C2CC3(CC3(F)F)C2)C1 ZINC000910181770 709800325 /nfs/dbraw/zinc/80/03/25/709800325.db2.gz FKZOSYDZKUFMNP-NIPOODMYSA-N -2 0 317.288 1.198 20 0 DDADRL Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1F ZINC000910185405 709802177 /nfs/dbraw/zinc/80/21/77/709802177.db2.gz JDQBIASMXRJAPD-CMPLNLGQSA-N -2 0 309.293 1.524 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2cccc(F)c2)C1 ZINC000910186452 709802724 /nfs/dbraw/zinc/80/27/24/709802724.db2.gz RIEGBTKSJBTHBN-JQWIXIFHSA-N -2 0 309.293 1.145 20 0 DDADRL Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])ccc1F ZINC000910189216 709803989 /nfs/dbraw/zinc/80/39/89/709803989.db2.gz REDVSFYWCHBBHT-CMPLNLGQSA-N -2 0 309.293 1.524 20 0 DDADRL Cn1cc(Cl)cc1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910192996 709806346 /nfs/dbraw/zinc/80/63/46/709806346.db2.gz ZXTFWGUVMXYGFJ-APPZFPTMSA-N -2 0 314.725 1.069 20 0 DDADRL C[C@H](C(=O)[O-])C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC000902822549 710916962 /nfs/dbraw/zinc/91/69/62/710916962.db2.gz XMDHKBDWHQZHGO-QWRGUYRKSA-N -2 0 305.330 1.777 20 0 DDADRL CC[C@@H](C)[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC000916110348 713442824 /nfs/dbraw/zinc/44/28/24/713442824.db2.gz XHFJSDAUIWHYSC-LDYMZIIASA-N -2 0 315.347 1.162 20 0 DDADRL Cc1cc(S(=O)(=O)N(C)CCCC(=O)[O-])sc1C(=O)[O-] ZINC000917728476 713511478 /nfs/dbraw/zinc/51/14/78/713511478.db2.gz SERBEWRBVKINPF-UHFFFAOYSA-N -2 0 321.376 1.240 20 0 DDADRL CCOc1ccc(S(=O)(=O)N[C@H]2[CH]CC=C2)cc1C(=O)[O-] ZINC001192674459 745857667 /nfs/dbraw/zinc/85/76/67/745857667.db2.gz FMHGTIMLSJNUDE-SNVBAGLBSA-N -2 0 310.351 1.595 20 0 DDADRL CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ncc(Cl)cc1[O-] ZINC001193016987 745961565 /nfs/dbraw/zinc/96/15/65/745961565.db2.gz LYVKERKDASJCRF-UHFFFAOYSA-N -2 0 322.770 1.524 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncccn2)c(F)cc1F ZINC001195184781 746540469 /nfs/dbraw/zinc/54/04/69/746540469.db2.gz CBVXVNMRHVPPPN-UHFFFAOYSA-N -2 0 315.257 1.254 20 0 DDADRL CC(C)(C)NC(=O)c1ccc(NCCOP(=O)([O-])[O-])cc1 ZINC001168591036 751214221 /nfs/dbraw/zinc/21/42/21/751214221.db2.gz GSOMCMKBSNKYGY-UHFFFAOYSA-N -2 0 316.294 1.736 20 0 DDADRL COC(=O)c1cc2ccc(NCCOP(=O)([O-])[O-])cc2[nH]1 ZINC001168591527 751219009 /nfs/dbraw/zinc/21/90/09/751219009.db2.gz ULFGOZODGYYXKO-UHFFFAOYSA-N -2 0 314.234 1.476 20 0 DDADRL COc1ccc(N)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC001175331732 777754693 /nfs/dbraw/zinc/75/46/93/777754693.db2.gz MBPZLVIAQDAZED-UHFFFAOYSA-N -2 0 322.342 1.776 20 0 DDADRL COc1ccc(N)cc1S(=O)(=O)[N-]c1cncc(C(=O)[O-])c1 ZINC001175842699 777923699 /nfs/dbraw/zinc/92/36/99/777923699.db2.gz FJDUBEFHOXBJFZ-UHFFFAOYSA-N -2 0 323.330 1.171 20 0 DDADRL O=C([O-])C(F)(F)C(F)(F)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC001180176050 779635041 /nfs/dbraw/zinc/63/50/41/779635041.db2.gz JRDUODIBDYZJIR-DTWKUNHWSA-N -2 0 321.226 1.116 20 0 DDADRL O=P([O-])([O-])OCCNc1nccc(Oc2ccccc2)n1 ZINC001157788062 864139878 /nfs/dbraw/zinc/13/98/78/864139878.db2.gz YUGFKVZILPEYHZ-UHFFFAOYSA-N -2 0 311.234 1.790 20 0 DDADRL Cc1cnc(NCCOP(=O)([O-])[O-])nc1NCC1CC1 ZINC001157787986 864140300 /nfs/dbraw/zinc/14/03/00/864140300.db2.gz ULKZLWAXYORAJD-UHFFFAOYSA-N -2 0 302.271 1.128 20 0 DDADRL O=P([O-])([O-])OCCNc1ccc(-c2ccccc2F)nn1 ZINC001157796112 864148882 /nfs/dbraw/zinc/14/88/82/864148882.db2.gz WSUUDXQHFHNWSZ-UHFFFAOYSA-N -2 0 313.225 1.804 20 0 DDADRL Cc1cc(N(C)C)nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242160430 891356591 /nfs/dbraw/zinc/35/65/91/891356591.db2.gz KHWHCIZSJSKGRN-UHFFFAOYSA-N -2 0 301.302 1.914 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cnc3c(c2)OCC(=O)N3)c1 ZINC001242161038 891356983 /nfs/dbraw/zinc/35/69/83/891356983.db2.gz PBOAQCXBQJZPAO-UHFFFAOYSA-N -2 0 314.253 1.476 20 0 DDADRL CCCc1ccc(S(=O)(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001255240048 896804324 /nfs/dbraw/zinc/80/43/24/896804324.db2.gz YSRKRRVSYCCGAB-UHFFFAOYSA-N -2 0 323.307 1.027 20 0 DDADRL Cn1nc(C2CC2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260220696 899093275 /nfs/dbraw/zinc/09/32/75/899093275.db2.gz HUYFMZZZXSEMOT-UHFFFAOYSA-N -2 0 321.358 1.797 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000092890068 185348085 /nfs/dbraw/zinc/34/80/85/185348085.db2.gz GNZMBHPSZQKATB-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL COCc1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000037018552 190664422 /nfs/dbraw/zinc/66/44/22/190664422.db2.gz OCJMZNZEBWWORS-UHFFFAOYSA-N -2 0 310.331 1.660 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccn(C)n2)c(C(=O)[O-])cc1C ZINC000358490671 299170928 /nfs/dbraw/zinc/17/09/28/299170928.db2.gz BMGORBMXTGSEPH-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)[C@H](C)C(=O)[O-] ZINC000133153950 354107789 /nfs/dbraw/zinc/10/77/89/354107789.db2.gz RVHDCHLFNOJIKW-NTSWFWBYSA-N -2 0 311.281 1.491 20 0 DDADRL COC(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000336849359 249256563 /nfs/dbraw/zinc/25/65/63/249256563.db2.gz BXFXUVOAPVTFSP-UHFFFAOYSA-N -2 0 324.314 1.300 20 0 DDADRL Cc1[n-]n(-c2cccc(-c3cnn(C)c3)c2)c(=O)c1CC(=O)[O-] ZINC000568266417 304282378 /nfs/dbraw/zinc/28/23/78/304282378.db2.gz UPYBHRMPGBJVNY-AWEZNQCLSA-N -2 0 312.329 1.901 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cn1 ZINC000070156485 406808443 /nfs/dbraw/zinc/80/84/43/406808443.db2.gz KYKWIISBRJBYFJ-UHFFFAOYSA-N -2 0 314.344 1.651 20 0 DDADRL CC(C)[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000037908945 406995176 /nfs/dbraw/zinc/99/51/76/406995176.db2.gz GNDTVZDFSFEBIV-SECBINFHSA-N -2 0 311.281 1.491 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000111278915 407404981 /nfs/dbraw/zinc/40/49/81/407404981.db2.gz TYRGDRSRQFRJAG-UHFFFAOYSA-N -2 0 315.738 1.871 20 0 DDADRL Cc1cc(C(=O)NOC2CCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000272082027 407766956 /nfs/dbraw/zinc/76/69/56/407766956.db2.gz HKAAUYPAQNAEDZ-UHFFFAOYSA-N -2 0 304.306 1.348 20 0 DDADRL COc1ccc(Cl)c(S(=O)(=O)NC2(C(=O)[O-])CC2)c1 ZINC000282347577 409037728 /nfs/dbraw/zinc/03/77/28/409037728.db2.gz AJXALVIMNWVVJU-UHFFFAOYSA-N -2 0 305.739 1.244 20 0 DDADRL CC[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cn(CC(C)C)cn1 ZINC000297113466 409810038 /nfs/dbraw/zinc/81/00/38/409810038.db2.gz FYIDKMOAPZHVGK-NSHDSACASA-N -2 0 317.411 1.461 20 0 DDADRL Cc1nn(C)c(Cl)c1S(=O)(=O)NCCCCCC(=O)[O-] ZINC000298875783 410432046 /nfs/dbraw/zinc/43/20/46/410432046.db2.gz WBDRWYMPIDFYQW-UHFFFAOYSA-N -2 0 323.802 1.305 20 0 DDADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ncc[nH]2)cc1 ZINC000313877398 418592485 /nfs/dbraw/zinc/59/24/85/418592485.db2.gz ARBQDGJHLWCAJY-UHFFFAOYSA-N -2 0 309.347 1.573 20 0 DDADRL Cc1c(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)cnn1C ZINC000427305513 419635601 /nfs/dbraw/zinc/63/56/01/419635601.db2.gz UOHYXWZWGCOSGL-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(=O)[O-])c[nH]1 ZINC000547873114 421375982 /nfs/dbraw/zinc/37/59/82/421375982.db2.gz CARGZRZYNUGFSD-UHFFFAOYSA-N -2 0 324.362 1.283 20 0 DDADRL C[C@@H]1CCN(C(=O)N=c2[n-]nc(C(F)F)s2)C[C@@H]1C(=O)[O-] ZINC000581072522 421892835 /nfs/dbraw/zinc/89/28/35/421892835.db2.gz SVZBCPXMUSPEMY-RITPCOANSA-N -2 0 320.321 1.472 20 0 DDADRL CCCc1n[n-]c(=NC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)s1 ZINC000630555464 422177311 /nfs/dbraw/zinc/17/73/11/422177311.db2.gz AWYATYIGNUDYRY-BDAKNGLRSA-N -2 0 312.395 1.487 20 0 DDADRL O=C([O-])[C@]1(CN=c2[n-]nc(C(F)(F)F)s2)CCCOC1 ZINC000630464427 422119764 /nfs/dbraw/zinc/11/97/64/422119764.db2.gz XFWZBNNBWUPLCC-VIFPVBQESA-N -2 0 311.285 1.272 20 0 DDADRL CC[C@@H](C(=O)[O-])N(C)C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000653341641 423447286 /nfs/dbraw/zinc/44/72/86/423447286.db2.gz IWDDLKXSSPOJFP-JTQLQIEISA-N -2 0 321.308 1.652 20 0 DDADRL O=C([O-])COc1cccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000656857983 423810097 /nfs/dbraw/zinc/81/00/97/423810097.db2.gz VIEASNGZEXYCNR-LLVKDONJSA-N -2 0 307.302 1.087 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccnn1C ZINC000530956039 303222167 /nfs/dbraw/zinc/22/21/67/303222167.db2.gz KGUPWZSSPLSVBC-UHFFFAOYSA-N -2 0 309.347 1.482 20 0 DDADRL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2c[nH]cn2)c1F ZINC000547888297 303558268 /nfs/dbraw/zinc/55/82/68/303558268.db2.gz HIFQYPZUWNYHTI-UHFFFAOYSA-N -2 0 303.246 1.187 20 0 DDADRL COC[C@@]1(C(=O)[O-])CCC[N@@H+]([C@H](C)c2nc(C)cc(=O)[nH]2)C1 ZINC000570639180 308174781 /nfs/dbraw/zinc/17/47/81/308174781.db2.gz WCNZMAREONWBBS-IAQYHMDHSA-N -2 0 309.366 1.365 20 0 DDADRL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000085325861 484003436 /nfs/dbraw/zinc/00/34/36/484003436.db2.gz VUWUHYVIEZQECU-XCBNKYQSSA-N -2 0 323.292 1.636 20 0 DDADRL Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc1C(=O)[O-] ZINC000085344816 484003567 /nfs/dbraw/zinc/00/35/67/484003567.db2.gz QRIIMEUPUIGYBM-LLVKDONJSA-N -2 0 315.347 1.081 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CC1CCC1)C(=O)[O-] ZINC000530367986 484295483 /nfs/dbraw/zinc/29/54/83/484295483.db2.gz FKYRJLHEABVULJ-HTRCEHHLSA-N -2 0 303.302 1.500 20 0 DDADRL CC(C)(C(=O)[O-])n1cc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)cn1 ZINC000663128603 484690506 /nfs/dbraw/zinc/69/05/06/484690506.db2.gz ODUCXITUXPROKZ-NSHDSACASA-N -2 0 323.349 1.532 20 0 DDADRL CCC(CC)(CNC(=O)NCCC(C)(C)C(=O)[O-])C(=O)[O-] ZINC000424402571 528673716 /nfs/dbraw/zinc/67/37/16/528673716.db2.gz HMNSYAKCYZFUIR-UHFFFAOYSA-N -2 0 302.371 1.678 20 0 DDADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000821549439 598148515 /nfs/dbraw/zinc/14/85/15/598148515.db2.gz BXPBFZNCIZEVSI-UHFFFAOYSA-N -2 0 323.301 1.643 20 0 DDADRL Cc1cc(NC(=O)C(=O)[N-]OC2CCCC2)ccc1C(=O)[O-] ZINC000817878739 598175918 /nfs/dbraw/zinc/17/59/18/598175918.db2.gz HSIPOLGEJUCXKV-UHFFFAOYSA-N -2 0 306.318 1.622 20 0 DDADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)n1 ZINC000739920534 599739820 /nfs/dbraw/zinc/73/98/20/599739820.db2.gz QZBBSLWOMMJJBW-UHFFFAOYSA-N -2 0 317.273 1.047 20 0 DDADRL Cc1cc(C([O-])=CS(=O)(=O)[C@H](C)CC(=O)[O-])c(C)n1C ZINC000738203010 600192610 /nfs/dbraw/zinc/19/26/10/600192610.db2.gz FWWXGEDEVRDLSM-SECBINFHSA-N -2 0 301.364 1.103 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c1C(=O)[O-] ZINC000738828245 600229392 /nfs/dbraw/zinc/22/93/92/600229392.db2.gz VDERWJGJVIIGQN-UHFFFAOYSA-N -2 0 321.318 1.093 20 0 DDADRL Cc1ccc(C)c(CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1 ZINC000738573280 600463254 /nfs/dbraw/zinc/46/32/54/600463254.db2.gz KKNRUECSQDMNIL-UHFFFAOYSA-N -2 0 313.375 1.157 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCC2 ZINC000739693359 600463706 /nfs/dbraw/zinc/46/37/06/600463706.db2.gz YZWUZWVSKPRCFB-UHFFFAOYSA-N -2 0 311.359 1.100 20 0 DDADRL Cc1ccc(CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1C ZINC000738584986 600465168 /nfs/dbraw/zinc/46/51/68/600465168.db2.gz PAJOZMJUGNBDFM-UHFFFAOYSA-N -2 0 313.375 1.157 20 0 DDADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cn1 ZINC000035651682 600672903 /nfs/dbraw/zinc/67/29/03/600672903.db2.gz BACFKDWCTWHQSN-UHFFFAOYSA-N -2 0 317.273 1.047 20 0 DDADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000832973076 601251899 /nfs/dbraw/zinc/25/18/99/601251899.db2.gz PJALGEATKBVDAO-UHFFFAOYSA-N -2 0 323.326 1.905 20 0 DDADRL Cc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1O ZINC000832950696 601485284 /nfs/dbraw/zinc/48/52/84/601485284.db2.gz UYYKCENNKDAHQZ-UHFFFAOYSA-N -2 0 314.344 1.656 20 0 DDADRL CC(C)n1nccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000827206940 601767369 /nfs/dbraw/zinc/76/73/69/601767369.db2.gz GBEXZSSKKFOOHB-UHFFFAOYSA-N -2 0 316.364 1.420 20 0 DDADRL Cc1[nH]nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1C ZINC000228329164 602211191 /nfs/dbraw/zinc/21/11/91/602211191.db2.gz BOTLDKCQODVTJT-UHFFFAOYSA-N -2 0 309.347 1.834 20 0 DDADRL CCC[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000739322140 602670081 /nfs/dbraw/zinc/67/00/81/602670081.db2.gz WROIKIHUTGQJHC-SNVBAGLBSA-N -2 0 314.363 1.236 20 0 DDADRL CC(C)(CC(=O)Nc1cccc(-c2nn[nH]n2)c1)NC(=O)[O-] ZINC000738735570 603015068 /nfs/dbraw/zinc/01/50/68/603015068.db2.gz RDQDGSVOGUGFAJ-UHFFFAOYSA-N -2 0 304.310 1.242 20 0 DDADRL O=C([O-])N[C@H]1CCCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000738656644 603685411 /nfs/dbraw/zinc/68/54/11/603685411.db2.gz SIEUHDHTEZYOIU-VIFPVBQESA-N -2 0 321.358 1.989 20 0 DDADRL CN(CCCNC(=O)[O-])C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000828303036 603817010 /nfs/dbraw/zinc/81/70/10/603817010.db2.gz XLDYGCRLGRFGJP-UHFFFAOYSA-N -2 0 309.347 1.846 20 0 DDADRL Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000830592082 604250334 /nfs/dbraw/zinc/25/03/34/604250334.db2.gz VLBAPFMEOXOBNR-JTQLQIEISA-N -2 0 314.363 1.046 20 0 DDADRL C[C@H](NC(=O)[O-])c1ccc(CN=c2ncnc3[nH][nH]cc2-3)cc1 ZINC000825401379 604345427 /nfs/dbraw/zinc/34/54/27/604345427.db2.gz CRLJJQVTXCFELM-VIFPVBQESA-N -2 0 312.333 1.667 20 0 DDADRL CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833421870 605118200 /nfs/dbraw/zinc/11/82/00/605118200.db2.gz JFALZVIKMUDIQG-UHFFFAOYSA-N -2 0 319.766 1.889 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)nc1C ZINC000128263337 605162783 /nfs/dbraw/zinc/16/27/83/605162783.db2.gz MGVUDEIWMWVOEU-UHFFFAOYSA-N -2 0 310.335 1.105 20 0 DDADRL C[C@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833608985 605483273 /nfs/dbraw/zinc/48/32/73/605483273.db2.gz PEDZEFWRQNXVKU-JGVFFNPUSA-N -2 0 317.388 1.687 20 0 DDADRL O=C([O-])N(CC(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)C1CC1 ZINC000834000902 605982245 /nfs/dbraw/zinc/98/22/45/605982245.db2.gz ATWILTJMYHMROI-HJWRWDBZSA-N -2 0 324.358 1.246 20 0 DDADRL O=C([O-])NC1(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CCCC1 ZINC000834152657 606034917 /nfs/dbraw/zinc/03/49/17/606034917.db2.gz VZQDHYCTJLYLCD-SNVBAGLBSA-N -2 0 310.350 1.280 20 0 DDADRL O=C([O-])CC[C@@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)c1ccccc1 ZINC000834059933 606050215 /nfs/dbraw/zinc/05/02/15/606050215.db2.gz MBUAYHDGQBYZAE-CHWSQXEVSA-N -2 0 320.345 1.709 20 0 DDADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)nc1 ZINC000165794415 697340039 /nfs/dbraw/zinc/34/00/39/697340039.db2.gz JOLYXOHITMUMRB-UHFFFAOYSA-N -2 0 300.267 1.621 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000183655472 697491518 /nfs/dbraw/zinc/49/15/18/697491518.db2.gz IZISKXHQVAKJBY-BDAKNGLRSA-N -2 0 312.288 1.264 20 0 DDADRL Cc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cn1 ZINC000384193048 699071280 /nfs/dbraw/zinc/07/12/80/699071280.db2.gz HZOSPSLHPXWMBE-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL O=C([N-]OCCC1CC1)C(F)(F)C(=O)[N-]OCCC1CC1 ZINC000866001379 706591345 /nfs/dbraw/zinc/59/13/45/706591345.db2.gz JTEUTUXVPOIJRK-UHFFFAOYSA-N -2 0 306.309 1.318 20 0 DDADRL CC(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@H]2CCCOC2)c1 ZINC000795343079 699860218 /nfs/dbraw/zinc/86/02/18/699860218.db2.gz FKQMAJMGJVLHOR-NSHDSACASA-N -2 0 313.375 1.763 20 0 DDADRL C[C@@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccnn2C)cc1 ZINC000825449012 705672853 /nfs/dbraw/zinc/67/28/53/705672853.db2.gz JNLUVVIUXJYWEL-SECBINFHSA-N -2 0 324.362 1.550 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000863954910 706045703 /nfs/dbraw/zinc/04/57/03/706045703.db2.gz RJJXKSPKXOXXAW-CMPLNLGQSA-N -2 0 319.423 1.760 20 0 DDADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1)C1CCCC1 ZINC000863955931 706046177 /nfs/dbraw/zinc/04/61/77/706046177.db2.gz DWBOGFUWSRDOMR-JTQLQIEISA-N -2 0 317.388 1.444 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])cc(C)c1F ZINC000863959343 706046496 /nfs/dbraw/zinc/04/64/96/706046496.db2.gz AVLRRWXENYFXLH-UHFFFAOYSA-N -2 0 303.311 1.112 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)sc1C ZINC000863957620 706046689 /nfs/dbraw/zinc/04/66/89/706046689.db2.gz QRITXEFLNPZKCG-JTQLQIEISA-N -2 0 317.388 1.281 20 0 DDADRL Cc1ccccc1CS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CC1 ZINC000863960707 706047089 /nfs/dbraw/zinc/04/70/89/706047089.db2.gz ABIZDYSCPRJTJI-GFCCVEGCSA-N -2 0 311.359 1.052 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000871770860 707195369 /nfs/dbraw/zinc/19/53/69/707195369.db2.gz OSFBBPIEYSGTAM-HXFLIBJXSA-N -2 0 317.329 1.746 20 0 DDADRL O=C([O-])CC1(NC(=O)c2ccc([O-])c(Cl)c2)CCOCC1 ZINC000909054811 712926998 /nfs/dbraw/zinc/92/69/98/712926998.db2.gz OLUUTJBPHFTUOS-UHFFFAOYSA-N -2 0 313.737 1.799 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(C2CC2)c1 ZINC000910181970 709800532 /nfs/dbraw/zinc/80/05/32/709800532.db2.gz GAGQYAKAPUMMOT-UONOGXRCSA-N -2 0 317.341 1.954 20 0 DDADRL CC[C@@H]1CCCC[C@@H]1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910184018 709801302 /nfs/dbraw/zinc/80/13/02/709801302.db2.gz PBLRMGHJLAXQKA-VOAKCMCISA-N -2 0 311.378 1.979 20 0 DDADRL CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910185181 709801399 /nfs/dbraw/zinc/80/13/99/709801399.db2.gz VHYDMINNOSLHRS-YFKTTZPYSA-N -2 0 311.378 1.835 20 0 DDADRL Cn1[n-]c(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1=O ZINC000901701558 710124492 /nfs/dbraw/zinc/12/44/92/710124492.db2.gz SESKBCIANBFAQZ-NEPJUHHUSA-N -2 0 315.329 1.066 20 0 DDADRL O=C([O-])C[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000906789955 712412133 /nfs/dbraw/zinc/41/21/33/712412133.db2.gz YVLRXJWPRZJDJA-MRVPVSSYSA-N -2 0 319.766 1.673 20 0 DDADRL CC(C)[C@H](CO)O[N-]C(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC000907850027 712635631 /nfs/dbraw/zinc/63/56/31/712635631.db2.gz JKAHRNKUBKROJO-WWGRRREGSA-N -2 0 307.346 1.310 20 0 DDADRL CCOC(=O)c1cnc(NC(=O)c2nc(SC)ncc2[O-])[n-]1 ZINC001185160946 744168057 /nfs/dbraw/zinc/16/80/57/744168057.db2.gz FKUAICPPXKGJJF-UHFFFAOYSA-N -2 0 323.334 1.056 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2cncc(C)n2)cc1C(=O)[O-] ZINC001185260235 744192039 /nfs/dbraw/zinc/19/20/39/744192039.db2.gz XJWNWDKVLZDCLL-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL Cc1c[nH]c(=O)cc1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189871868 745008846 /nfs/dbraw/zinc/00/88/46/745008846.db2.gz ONUBOYZXNGNGQI-UHFFFAOYSA-N -2 0 324.229 1.819 20 0 DDADRL CN(CC1(C)COC1)C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189877854 745013742 /nfs/dbraw/zinc/01/37/42/745013742.db2.gz ZATVZPJPABIBCA-UHFFFAOYSA-N -2 0 315.262 1.267 20 0 DDADRL CN(C(=O)c1ccccc1OP(=O)([O-])[O-])C1(C)COC1 ZINC001189886923 745042361 /nfs/dbraw/zinc/04/23/61/745042361.db2.gz KALLHFFNGOEMNR-UHFFFAOYSA-N -2 0 301.235 1.019 20 0 DDADRL Cc1c(F)ccc(C(=O)NCCOP(=O)([O-])[O-])c1Cl ZINC001191378809 745487982 /nfs/dbraw/zinc/48/79/82/745487982.db2.gz DXORFVYWJIAIOG-UHFFFAOYSA-N -2 0 311.633 1.627 20 0 DDADRL CCOc1ccc(S(=O)(=O)[N-]c2ncco2)cc1C(=O)[O-] ZINC001192608062 745841395 /nfs/dbraw/zinc/84/13/95/745841395.db2.gz BDBUVGAVUIYXET-UHFFFAOYSA-N -2 0 312.303 1.572 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1noc2cccnc12 ZINC001198730569 747582144 /nfs/dbraw/zinc/58/21/44/747582144.db2.gz PFRACVZZODZPTP-UHFFFAOYSA-N -2 0 319.298 1.722 20 0 DDADRL O=P([O-])([O-])OCCNc1cncc(-c2cccs2)n1 ZINC001168589608 751203185 /nfs/dbraw/zinc/20/31/85/751203185.db2.gz KMRYBGUCAXEYTD-UHFFFAOYSA-N -2 0 301.264 1.726 20 0 DDADRL COC(=O)n1ccc2ccc(NCCOP(=O)([O-])[O-])nc21 ZINC001168590457 751209393 /nfs/dbraw/zinc/20/93/93/751209393.db2.gz ZQWMJTOVZIAJSA-UHFFFAOYSA-N -2 0 315.222 1.172 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(CC2CC2)nc2[nH]ccc21 ZINC001168591330 751218310 /nfs/dbraw/zinc/21/83/10/751218310.db2.gz PNUYZKNTVUJHFM-UHFFFAOYSA-N -2 0 312.266 1.432 20 0 DDADRL O=C1CC[C@H](c2ccc(NCCOP(=O)([O-])[O-])cc2)N1 ZINC001168595416 751261156 /nfs/dbraw/zinc/26/11/56/751261156.db2.gz KVRHHZSJNMHYJS-LLVKDONJSA-N -2 0 300.251 1.159 20 0 DDADRL O=C(CC12CC3CC(CC(C3)C1)C2)NCCOP(=O)([O-])[O-] ZINC001144930718 772714280 /nfs/dbraw/zinc/71/42/80/772714280.db2.gz AVDZUAFDGFWIKQ-UHFFFAOYSA-N -2 0 317.322 1.818 20 0 DDADRL O=C([O-])c1cc(Nc2ncccc2CCO)cc(C(=O)[O-])c1 ZINC001176239463 778090125 /nfs/dbraw/zinc/09/01/25/778090125.db2.gz XBAXWRVUVUKGLX-UHFFFAOYSA-N -2 0 302.286 1.756 20 0 DDADRL Cc1ncc(C[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])s1 ZINC001180171105 779651624 /nfs/dbraw/zinc/65/16/24/779651624.db2.gz PUTPJWCRDKEKJW-UHFFFAOYSA-N -2 0 300.233 1.423 20 0 DDADRL Cc1ccc(Cl)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001225206363 881725629 /nfs/dbraw/zinc/72/56/29/881725629.db2.gz NEIYTPQHYYPWQI-CPCISQLKSA-N -2 0 316.693 1.090 20 0 DDADRL O=P([O-])([O-])OCCN[C@H](F)Oc1cccc(Cl)n1 ZINC001157791466 864144024 /nfs/dbraw/zinc/14/40/24/864144024.db2.gz PITFQGNRNNXPIO-QMMMGPOBSA-N -2 0 300.610 1.066 20 0 DDADRL COC(=O)/C=C/c1cc(C)cnc1NCCOP(=O)([O-])[O-] ZINC001157791722 864145149 /nfs/dbraw/zinc/14/51/49/864145149.db2.gz RUQFJOXKVMFSFW-ONEGZZNKSA-N -2 0 316.250 1.097 20 0 DDADRL COc1cc2c(cc1F)ncnc2NCCOP(=O)([O-])[O-] ZINC001157792158 864145305 /nfs/dbraw/zinc/14/53/05/864145305.db2.gz UQLBWHRGFGAZJR-UHFFFAOYSA-N -2 0 317.213 1.299 20 0 DDADRL CSc1ccc2ncnc(NCCOP(=O)([O-])[O-])c2c1 ZINC001157795644 864149609 /nfs/dbraw/zinc/14/96/09/864149609.db2.gz ITXOIOTUMYOSPM-UHFFFAOYSA-N -2 0 315.291 1.873 20 0 DDADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cncc(N)c1 ZINC001210254896 875289757 /nfs/dbraw/zinc/28/97/57/875289757.db2.gz NDTQLNHMFVFLPX-UHFFFAOYSA-N -2 0 323.330 1.171 20 0 DDADRL COc1c([N-]S(=O)(=O)c2cncc(N)c2)cccc1C(=O)[O-] ZINC001211034448 875632616 /nfs/dbraw/zinc/63/26/16/875632616.db2.gz VLNBUIQWPZUQAR-UHFFFAOYSA-N -2 0 323.330 1.171 20 0 DDADRL CCOC(=O)[C@@H](CC)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234332221 887868588 /nfs/dbraw/zinc/86/85/88/887868588.db2.gz NLZUZKXNTYITTP-LLVKDONJSA-N -2 0 304.235 1.879 20 0 DDADRL CS(=O)(=O)c1cncc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001239699990 890712741 /nfs/dbraw/zinc/71/27/41/890712741.db2.gz CUMCECFJPODFPS-UHFFFAOYSA-N -2 0 321.310 1.549 20 0 DDADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cnn([C@H]2CCOC2)c1 ZINC001240629334 891003884 /nfs/dbraw/zinc/00/38/84/891003884.db2.gz PSFQDSKUIOTPNZ-JTQLQIEISA-N -2 0 302.286 1.908 20 0 DDADRL CC(=O)[N-]S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)nc1 ZINC001241358080 891149942 /nfs/dbraw/zinc/14/99/42/891149942.db2.gz OCMXNQDYXQQRTE-UHFFFAOYSA-N -2 0 320.326 1.272 20 0 DDADRL Cc1nocc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260210090 899090506 /nfs/dbraw/zinc/09/05/06/899090506.db2.gz PJIOOLOFBCIMKR-UHFFFAOYSA-N -2 0 300.267 1.621 20 0 DDADRL O=C([O-])COCCN=c1[n-]nc(-c2ccccc2Cl)s1 ZINC000634964779 422735239 /nfs/dbraw/zinc/73/52/39/422735239.db2.gz LYDAVGFYZJPSEP-UHFFFAOYSA-N -2 0 313.766 1.794 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(O)c1 ZINC000442839144 539530902 /nfs/dbraw/zinc/53/09/02/539530902.db2.gz UYOCHZNLMWNIDD-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL C[C@@H]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C[C@H]1C(=O)[O-] ZINC000564925800 304026804 /nfs/dbraw/zinc/02/68/04/304026804.db2.gz UFHGDDFGZRGKBM-NXEZZACHSA-N -2 0 300.355 1.240 20 0 DDADRL O=C([O-])CSCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000262327494 304072093 /nfs/dbraw/zinc/07/20/93/304072093.db2.gz DLURXOKPSWNLIU-GUBZILKMSA-N -2 0 301.364 1.049 20 0 DDADRL CN(Cc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000275190698 212185546 /nfs/dbraw/zinc/18/55/46/212185546.db2.gz XTBJKOWFGHCZRS-QWHCGFSZSA-N -2 0 320.345 1.346 20 0 DDADRL COc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000055311869 407201042 /nfs/dbraw/zinc/20/10/42/407201042.db2.gz MGEWCIONYSJKCE-UHFFFAOYSA-N -2 0 312.303 1.491 20 0 DDADRL CC(C)CO[N-]C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000124519772 407361035 /nfs/dbraw/zinc/36/10/35/407361035.db2.gz DVVLEMMHHIWTAP-UHFFFAOYSA-N -2 0 307.375 1.389 20 0 DDADRL Cc1cccc(S(=O)(=O)N[C@H](CC2CC2)C(=O)[O-])c1F ZINC000287396080 409030130 /nfs/dbraw/zinc/03/01/30/409030130.db2.gz DHYXPELPCTUCBQ-SNVBAGLBSA-N -2 0 301.339 1.666 20 0 DDADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000356473962 298801107 /nfs/dbraw/zinc/80/11/07/298801107.db2.gz DSRLRHBPFKFKIX-UHFFFAOYSA-N -2 0 311.319 1.226 20 0 DDADRL CSc1nc(=NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)s[n-]1 ZINC000647697529 423002660 /nfs/dbraw/zinc/00/26/60/423002660.db2.gz PSCIMIHNMWYZQN-NTSWFWBYSA-N -2 0 302.381 1.057 20 0 DDADRL Cc1cccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c1F ZINC000543768943 421841653 /nfs/dbraw/zinc/84/16/53/421841653.db2.gz NLHKBPPZLTUSAE-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL Cc1csc(S(=O)(=O)N[C@H]2CCC[C@]2(C)C(=O)[O-])c1 ZINC000583978828 422230415 /nfs/dbraw/zinc/23/04/15/422230415.db2.gz DOVNUAIVKLSRBO-CABZTGNLSA-N -2 0 303.405 1.978 20 0 DDADRL CC(C)C[C@@H](CNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC000646163245 423374038 /nfs/dbraw/zinc/37/40/38/423374038.db2.gz ZHDLLXTVDHVWAY-GARJFASQSA-N -2 0 300.355 1.286 20 0 DDADRL O=C([O-])COc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000656857919 423806734 /nfs/dbraw/zinc/80/67/34/423806734.db2.gz HAYVEWDWXZVOMI-GFCCVEGCSA-N -2 0 307.302 1.229 20 0 DDADRL CC(C)[C@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC000655880667 424690610 /nfs/dbraw/zinc/69/06/10/424690610.db2.gz XCJXMKITPGGARK-ILDUYXDCSA-N -2 0 300.355 1.286 20 0 DDADRL CC(C)[C@H](CNC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)C(=O)[O-] ZINC000655896734 424692027 /nfs/dbraw/zinc/69/20/27/424692027.db2.gz ODOFTBJZGFTBDQ-MXWKQRLJSA-N -2 0 300.355 1.095 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C ZINC000547558338 303540892 /nfs/dbraw/zinc/54/08/92/303540892.db2.gz XAYWYYFLSXFBFR-SFYZADRCSA-N -2 0 319.345 1.994 20 0 DDADRL CCCc1nc(=NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)s[n-]1 ZINC000580565192 308615002 /nfs/dbraw/zinc/61/50/02/308615002.db2.gz YHQMFPMIIURGFI-BDAKNGLRSA-N -2 0 312.395 1.487 20 0 DDADRL CCN(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])[C@@H](C)C(=O)[O-] ZINC000663125820 484688019 /nfs/dbraw/zinc/68/80/19/484688019.db2.gz RYDXSZWDNPHWFV-VIFPVBQESA-N -2 0 321.308 1.652 20 0 DDADRL O=C([O-])NCCCNC(=O)c1cc(Br)ccc1O ZINC000740654148 602406967 /nfs/dbraw/zinc/40/69/67/602406967.db2.gz VPVDUCADGGCOSC-UHFFFAOYSA-N -2 0 317.139 1.542 20 0 DDADRL C[C@@H](C(=O)[O-])N(C)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000817768614 596935189 /nfs/dbraw/zinc/93/51/89/596935189.db2.gz GVHZZWZZZZOWGH-QMMMGPOBSA-N -2 0 307.281 1.262 20 0 DDADRL O=C([O-])CSCCC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000739849011 599755781 /nfs/dbraw/zinc/75/57/81/599755781.db2.gz IAWQGSOTDLIERM-UHFFFAOYSA-N -2 0 323.330 1.176 20 0 DDADRL O=C([O-])c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cn1 ZINC000739370092 599841351 /nfs/dbraw/zinc/84/13/51/599841351.db2.gz CYGQRHDLXLNVPR-LBPRGKRZSA-N -2 0 300.270 1.336 20 0 DDADRL O=C([O-])c1ccc(C(=O)N[C@H](C(=O)[O-])c2cccs2)cn1 ZINC000739371910 599841488 /nfs/dbraw/zinc/84/14/88/599841488.db2.gz NVBRAQYNKJEOQW-JTQLQIEISA-N -2 0 306.299 1.397 20 0 DDADRL Cc1ncc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cn1 ZINC000738887524 599924416 /nfs/dbraw/zinc/92/44/16/599924416.db2.gz BTXAZRPZMAALGF-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL Cc1csc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])n1 ZINC000037300453 600051059 /nfs/dbraw/zinc/05/10/59/600051059.db2.gz XCWDJAFHXOHFCQ-UHFFFAOYSA-N -2 0 316.360 2.160 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)/C=C\c1ccsc1 ZINC000739695040 600464742 /nfs/dbraw/zinc/46/47/42/600464742.db2.gz AQQRGQWCKLZPIC-ARJAWSKDSA-N -2 0 303.361 1.072 20 0 DDADRL CCCCOCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736999176 600518412 /nfs/dbraw/zinc/51/84/12/600518412.db2.gz LXHUBQPEELYRKK-UHFFFAOYSA-N -2 0 315.347 1.006 20 0 DDADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2ccc(F)cc2F)cn1 ZINC000038030456 600528956 /nfs/dbraw/zinc/52/89/56/600528956.db2.gz CDVJAMCNQNZOSF-UHFFFAOYSA-N -2 0 317.273 1.047 20 0 DDADRL C[C@H](CSCC1=Nc2ccccc2S(=O)(=O)[N-]1)C(=O)[O-] ZINC000736613051 600598343 /nfs/dbraw/zinc/59/83/43/600598343.db2.gz IYEDLURHXWFFFH-MRVPVSSYSA-N -2 0 314.388 1.462 20 0 DDADRL Cc1[nH]c(C([O-])=CS(=O)(=O)[C@H](C)C(C)C)c(C)c1C(=O)[O-] ZINC000832843741 600832118 /nfs/dbraw/zinc/83/21/18/600832118.db2.gz QCKPMITXFRKERJ-SNVBAGLBSA-N -2 0 315.391 1.972 20 0 DDADRL O=C([O-])CC1(CS(=O)(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000833203699 601127839 /nfs/dbraw/zinc/12/78/39/601127839.db2.gz ZHDVZISQJDUGRN-UHFFFAOYSA-N -2 0 313.331 1.381 20 0 DDADRL COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000831567905 601295342 /nfs/dbraw/zinc/29/53/42/601295342.db2.gz ODHDNNYUOPPWEY-CQSZACIVSA-N -2 0 324.358 1.726 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C2CC2)c1 ZINC000833333106 601364424 /nfs/dbraw/zinc/36/44/24/601364424.db2.gz HCGIITUSZNVMNB-VXGBXAGGSA-N -2 0 309.343 1.236 20 0 DDADRL CCCn1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cn1 ZINC000829585031 601485047 /nfs/dbraw/zinc/48/50/47/601485047.db2.gz BEJLRABOJFXMMH-UHFFFAOYSA-N -2 0 316.364 1.249 20 0 DDADRL C[C@@H]1CN(Cc2c([O-])nnn2-c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828457713 601816836 /nfs/dbraw/zinc/81/68/36/601816836.db2.gz WXCSVNCICXGABP-PWSUYJOCSA-N -2 0 302.334 1.125 20 0 DDADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(F)nc2)c1 ZINC000165820259 602156656 /nfs/dbraw/zinc/15/66/56/602156656.db2.gz AJCXYLVAYLBXTE-UHFFFAOYSA-N -2 0 302.308 1.781 20 0 DDADRL COc1cccc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])c1 ZINC000832572428 602157670 /nfs/dbraw/zinc/15/76/70/602157670.db2.gz BWHFQKQDHJJLEU-UHFFFAOYSA-N -2 0 314.344 1.651 20 0 DDADRL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-])c1 ZINC000832888073 602198725 /nfs/dbraw/zinc/19/87/25/602198725.db2.gz ORNWZWHLMOLZRN-QMMMGPOBSA-N -2 0 303.311 1.050 20 0 DDADRL CCC[C@](C)(NC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000829194117 602299439 /nfs/dbraw/zinc/29/94/39/602299439.db2.gz VPKDNMFCZJBTTL-INIZCTEOSA-N -2 0 317.345 1.951 20 0 DDADRL CCCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)[nH]n1 ZINC000829567070 602305871 /nfs/dbraw/zinc/30/58/71/602305871.db2.gz XQPDUYOYNIRCPS-UHFFFAOYSA-N -2 0 313.335 1.763 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000739303206 602728621 /nfs/dbraw/zinc/72/86/21/602728621.db2.gz ULVSOBJQIGPUDT-ZJUUUORDSA-N -2 0 306.384 1.011 20 0 DDADRL C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000826026848 603572894 /nfs/dbraw/zinc/57/28/94/603572894.db2.gz ORMMCMOBJYCADC-MRVPVSSYSA-N -2 0 321.358 1.941 20 0 DDADRL C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000833408354 604880697 /nfs/dbraw/zinc/88/06/97/604880697.db2.gz SXYKCXBIBRSZKH-ZCFIWIBFSA-N -2 0 321.738 1.132 20 0 DDADRL CCc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)n1 ZINC000833676261 605183704 /nfs/dbraw/zinc/18/37/04/605183704.db2.gz IOQJDQLCZVUQLK-UHFFFAOYSA-N -2 0 302.333 1.798 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)nc1C ZINC000050265508 605301513 /nfs/dbraw/zinc/30/15/13/605301513.db2.gz HDMUXTQDGBHIBL-UHFFFAOYSA-N -2 0 315.376 1.772 20 0 DDADRL O=C([O-])C[C@@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)c1cccs1 ZINC000834061240 606034379 /nfs/dbraw/zinc/03/43/79/606034379.db2.gz RGRFVKKHVASBRF-RKDXNWHRSA-N -2 0 312.347 1.380 20 0 DDADRL O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000834060686 606048267 /nfs/dbraw/zinc/04/82/67/606048267.db2.gz IVVJRFKGXUALQM-QWHCGFSZSA-N -2 0 318.329 1.024 20 0 DDADRL O=C([O-])CC1(NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CCCCC1 ZINC000834059958 606051759 /nfs/dbraw/zinc/05/17/59/606051759.db2.gz DPANXYBCJNISMZ-MNOVXSKESA-N -2 0 312.366 1.717 20 0 DDADRL O=C([O-])COc1cccc(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000834064684 606056267 /nfs/dbraw/zinc/05/62/67/606056267.db2.gz FGYXVEMLGBGAOL-SECBINFHSA-N -2 0 308.290 1.088 20 0 DDADRL C[C@@H](NC(=O)[O-])C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000833895001 606059560 /nfs/dbraw/zinc/05/95/60/606059560.db2.gz MKGDZOXHRFIEAT-MRVPVSSYSA-N -2 0 305.290 1.321 20 0 DDADRL O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCN(C(=O)[O-])C2)Cc2ccccc21 ZINC000834061439 606112676 /nfs/dbraw/zinc/11/26/76/606112676.db2.gz UKFMBRLOUUSRAW-WCQYABFASA-N -2 0 318.329 1.197 20 0 DDADRL Cc1cc([O-])c(C(=O)C=Cc2ccc([O-])c([N+](=O)[O-])c2)c(=O)o1 ZINC000028911385 696107593 /nfs/dbraw/zinc/10/75/93/696107593.db2.gz ODWAOMPFVIDSDT-KQIUPUNMSA-N -2 0 317.253 1.529 20 0 DDADRL O=C(CSCC(=O)[N-]OC1CCCC1)[N-]OC1CCCC1 ZINC000775599587 698014036 /nfs/dbraw/zinc/01/40/36/698014036.db2.gz ZPXSTXILCSNIHN-UHFFFAOYSA-N -2 0 316.423 1.700 20 0 DDADRL C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000851695765 703832101 /nfs/dbraw/zinc/83/21/01/703832101.db2.gz KNSLZUBZNCNAQU-HNNXBMFYSA-N -2 0 307.302 1.087 20 0 DDADRL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CC2)c1 ZINC000863956123 706046286 /nfs/dbraw/zinc/04/62/86/706046286.db2.gz DJULOKNDXKHCRK-LLVKDONJSA-N -2 0 315.322 1.050 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)C2(CC(=O)[O-])CCC2)c(C)o1 ZINC000863957707 706046625 /nfs/dbraw/zinc/04/66/25/706046625.db2.gz FARPMHGEOUTMOZ-UHFFFAOYSA-N -2 0 315.347 1.346 20 0 DDADRL CCC[C@@H](NC(=O)c1ccc2oc(=S)[n-]c2c1)c1nnn[n-]1 ZINC000829800629 706398570 /nfs/dbraw/zinc/39/85/70/706398570.db2.gz IHKDJVAYQXQOQY-MRVPVSSYSA-N -2 0 318.362 1.901 20 0 DDADRL CO[C@@H]1CCN(C(=O)c2ccc([O-])c(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000909980634 709716566 /nfs/dbraw/zinc/71/65/66/709716566.db2.gz CHYIIWFRXFAWPY-KOLCDFICSA-N -2 0 313.737 1.750 20 0 DDADRL Cc1ccc(C)c(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910185708 709801965 /nfs/dbraw/zinc/80/19/65/709801965.db2.gz KBQHQCUFDSIGPO-DGCLKSJQSA-N -2 0 305.330 1.693 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1ccsc1 ZINC000910187172 709802897 /nfs/dbraw/zinc/80/28/97/709802897.db2.gz BJDSBOFLFMTFRZ-WDEREUQCSA-N -2 0 311.359 1.457 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)NC[C@]12C[C@H]1CCC2 ZINC000903521334 711166003 /nfs/dbraw/zinc/16/60/03/711166003.db2.gz REDYGNAXWSUCAP-HQJQHLMTSA-N -2 0 302.377 1.310 20 0 DDADRL Cc1cc(F)c(S(=O)(=O)[N-]CC(F)(F)C(=O)[O-])cc1F ZINC000906000088 712216608 /nfs/dbraw/zinc/21/66/08/712216608.db2.gz UEDLTOHFFQMMJA-UHFFFAOYSA-N -2 0 315.244 1.271 20 0 DDADRL CC(C)N(C)C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189914205 745029037 /nfs/dbraw/zinc/02/90/37/745029037.db2.gz KRQSUJZPDGXYDZ-UHFFFAOYSA-N -2 0 301.320 1.112 20 0 DDADRL Cc1ccc(C(C)(C)C(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001180606506 742846937 /nfs/dbraw/zinc/84/69/37/742846937.db2.gz FYZRMPGQTOUOPD-UHFFFAOYSA-N -2 0 301.279 1.498 20 0 DDADRL O=C([O-])c1cc(C(=O)Nc2ccc[nH]2)cc(S(=O)(=O)[O-])c1 ZINC001189914798 745029596 /nfs/dbraw/zinc/02/95/96/745029596.db2.gz MTGYOLPJGKMMJO-UHFFFAOYSA-N -2 0 310.287 1.212 20 0 DDADRL Cc1nocc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195195220 746547170 /nfs/dbraw/zinc/54/71/70/746547170.db2.gz SWRGTCYOOQUWMW-UHFFFAOYSA-N -2 0 318.257 1.760 20 0 DDADRL Nc1c2c(=O)nccc-2[n-]n1C(=O)c1cc(Cl)c(F)cc1[O-] ZINC001196477751 746871234 /nfs/dbraw/zinc/87/12/34/746871234.db2.gz GESUIEMGHGKCJL-UHFFFAOYSA-N -2 0 322.683 1.445 20 0 DDADRL O=P([O-])([O-])OCCNC(=S)NCc1ccccc1Cl ZINC001196842158 746977838 /nfs/dbraw/zinc/97/78/38/746977838.db2.gz AHDDRDDBJBDWCW-UHFFFAOYSA-N -2 0 324.726 1.413 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cn1 ZINC001198729896 747581070 /nfs/dbraw/zinc/58/10/70/747581070.db2.gz BAVIQNIDTWCYGV-UHFFFAOYSA-N -2 0 308.315 1.589 20 0 DDADRL COc1ccc(NS(=O)(=O)c2ccccc2C(=O)[O-])c(C)n1 ZINC001198738865 747585230 /nfs/dbraw/zinc/58/52/30/747585230.db2.gz GGRRMKYQCQBTSZ-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(Cl)nc2sccc21 ZINC001168585951 751175320 /nfs/dbraw/zinc/17/53/20/751175320.db2.gz BDWXCTHYRATTDU-UHFFFAOYSA-N -2 0 309.671 1.866 20 0 DDADRL O=P([O-])([O-])OCCNc1cccc(OC(F)(F)F)n1 ZINC001168586262 751176752 /nfs/dbraw/zinc/17/67/52/751176752.db2.gz GRJMVVLHAUULQV-UHFFFAOYSA-N -2 0 302.145 1.501 20 0 DDADRL COC(=O)c1c(C)cc(Cl)nc1NCCOP(=O)([O-])[O-] ZINC001168587595 751184058 /nfs/dbraw/zinc/18/40/58/751184058.db2.gz RUVLRIJHKQHTSO-UHFFFAOYSA-N -2 0 324.657 1.351 20 0 DDADRL CCCCN(C)c1cncc(NCCOP(=O)([O-])[O-])n1 ZINC001168589179 751199319 /nfs/dbraw/zinc/19/93/19/751199319.db2.gz FKHBVCGSMBJLBE-UHFFFAOYSA-N -2 0 304.287 1.234 20 0 DDADRL O=P([O-])([O-])OCCNc1cccc(Cc2ccncc2)n1 ZINC001168590027 751206371 /nfs/dbraw/zinc/20/63/71/751206371.db2.gz SQVCYISCJROKKL-UHFFFAOYSA-N -2 0 309.262 1.589 20 0 DDADRL CCOC(=O)c1cc(C)c(NCCOP(=O)([O-])[O-])cn1 ZINC001168595389 751264159 /nfs/dbraw/zinc/26/41/59/751264159.db2.gz KBAZWJJVIVSERZ-UHFFFAOYSA-N -2 0 304.239 1.088 20 0 DDADRL O=P([O-])([O-])c1ccc(N[C@@H]2CCc3ccccc3[C@H]2O)cc1 ZINC001169634047 762556313 /nfs/dbraw/zinc/55/63/13/762556313.db2.gz ZPFKXBKDTWJIEA-HZPDHXFCSA-N -2 0 319.297 1.950 20 0 DDADRL CC(C)Oc1ccc(C(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001148401361 773468506 /nfs/dbraw/zinc/46/85/06/773468506.db2.gz MQTNNRNYEGIEGD-UHFFFAOYSA-N -2 0 303.251 1.313 20 0 DDADRL CCc1ccc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])cn1 ZINC001148916732 773634212 /nfs/dbraw/zinc/63/42/12/773634212.db2.gz DPINAOWJZCWXCY-UHFFFAOYSA-N -2 0 322.342 1.849 20 0 DDADRL Nc1cncc(S(=O)(=O)[N-]c2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174494597 777488048 /nfs/dbraw/zinc/48/80/48/777488048.db2.gz CJAXHYILLXEEDX-SNAWJCMRSA-N -2 0 319.342 1.562 20 0 DDADRL O=C([O-])c1cc(Nc2cn[nH]c(=O)c2Cl)cc(C(=O)[O-])c1 ZINC001176237001 778087288 /nfs/dbraw/zinc/08/72/88/778087288.db2.gz DODYWZHFGUVMKQ-UHFFFAOYSA-N -2 0 309.665 1.976 20 0 DDADRL O=P([O-])([O-])OCCNC(F)(F)c1ccnc(Cl)c1 ZINC001157788243 864140361 /nfs/dbraw/zinc/14/03/61/864140361.db2.gz WULJYQCKBXZDKW-UHFFFAOYSA-N -2 0 302.601 1.483 20 0 DDADRL O=P([O-])([O-])OCCNc1ncc2ccc(Cl)cc2n1 ZINC001157790695 864143290 /nfs/dbraw/zinc/14/32/90/864143290.db2.gz DKKPMQYLGVVLEV-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL COc1cccc(CCNc2ccc(P(=O)([O-])[O-])cc2)n1 ZINC001162748463 867799133 /nfs/dbraw/zinc/79/91/33/867799133.db2.gz SKIOATFDIVVPLM-UHFFFAOYSA-N -2 0 308.274 1.548 20 0 DDADRL Cc1cc(Cl)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001226880778 882698996 /nfs/dbraw/zinc/69/89/96/882698996.db2.gz CMWODHPNYFUVIZ-KWQFWETISA-N -2 0 316.693 1.090 20 0 DDADRL CSCC[C@H](NC(=O)c1cccc(F)c1[O-])c1nnn[n-]1 ZINC001363278988 885896030 /nfs/dbraw/zinc/89/60/30/885896030.db2.gz GWSPDMBTZSYJIU-VIFPVBQESA-N -2 0 311.342 1.269 20 0 DDADRL C=CC(=O)OC[C@H](C)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234331049 887869754 /nfs/dbraw/zinc/86/97/54/887869754.db2.gz BEYRQNBWNSPRSD-VIFPVBQESA-N -2 0 302.219 1.655 20 0 DDADRL O=C([O-])c1c(F)cc(-c2cccc(S(=O)(=O)[O-])n2)cc1F ZINC001239337832 890605957 /nfs/dbraw/zinc/60/59/57/890605957.db2.gz ZZSUUIPXJSTCJH-UHFFFAOYSA-N -2 0 315.253 1.972 20 0 DDADRL COc1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c(OC)nn1 ZINC001240324859 890895271 /nfs/dbraw/zinc/89/52/71/890895271.db2.gz FYALRADUTQQXPM-UHFFFAOYSA-N -2 0 304.258 1.557 20 0 DDADRL COC(=O)c1cnnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242159648 891353741 /nfs/dbraw/zinc/35/37/41/891353741.db2.gz PFYROTKXHRPGEV-UHFFFAOYSA-N -2 0 302.242 1.327 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3c(n2)NCCO3)c1 ZINC001242163480 891355392 /nfs/dbraw/zinc/35/53/92/891355392.db2.gz ZSDBEROFTCQGEA-UHFFFAOYSA-N -2 0 300.270 1.949 20 0 DDADRL Cc1cc(O)cnc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260183569 899076131 /nfs/dbraw/zinc/07/61/31/899076131.db2.gz UKIZPFHCCVZZCW-UHFFFAOYSA-N -2 0 308.315 1.595 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nccnc2C2CC2)cc1 ZINC001260221113 899093181 /nfs/dbraw/zinc/09/31/81/899093181.db2.gz JFGYJVRBNFHTMS-UHFFFAOYSA-N -2 0 319.342 1.853 20 0 DDADRL CCn1cnc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c1 ZINC000092889990 185348032 /nfs/dbraw/zinc/34/80/32/185348032.db2.gz SZKSPXXIUCZPMQ-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL Cc1cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)ccn1 ZINC000073610050 191330668 /nfs/dbraw/zinc/33/06/68/191330668.db2.gz CHVMMAPFFDFOOH-UHFFFAOYSA-N -2 0 311.301 1.288 20 0 DDADRL CC(C)(C)OC(=O)C1(C(=O)N=c2ccc(=O)[nH][nH]2)CC=CC1 ZINC000598830836 357738089 /nfs/dbraw/zinc/73/80/89/357738089.db2.gz FGELSFRRJZWQFR-UHFFFAOYSA-N -2 0 305.334 1.221 20 0 DDADRL O=c1[n-]c(CCCN=c2nc(Cc3ccc(F)cc3)o[n-]2)n[nH]1 ZINC000621273030 364766371 /nfs/dbraw/zinc/76/63/71/364766371.db2.gz KPIANDVTWYPQHU-UHFFFAOYSA-N -2 0 318.312 1.090 20 0 DDADRL CC(C)C[C@H](CNC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)C(=O)[O-] ZINC000626769770 367736201 /nfs/dbraw/zinc/73/62/01/367736201.db2.gz RHQXHLNBRYLEOU-TUAOUCFPSA-N -2 0 314.382 1.486 20 0 DDADRL Cc1cccc(F)c1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000262405186 203285399 /nfs/dbraw/zinc/28/53/99/203285399.db2.gz KPEUBQGBIQVUGY-NSHDSACASA-N -2 0 303.355 1.912 20 0 DDADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000058615412 184125289 /nfs/dbraw/zinc/12/52/89/184125289.db2.gz MQDMMFZBOWQOOB-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL COC(C)(C)CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000414383376 224329573 /nfs/dbraw/zinc/32/95/73/224329573.db2.gz RCOSKHOGQGFRRT-UHFFFAOYSA-N -2 0 303.336 1.257 20 0 DDADRL CC(C)[C@@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000236722892 407762689 /nfs/dbraw/zinc/76/26/89/407762689.db2.gz HPPZOOAMLFMQGB-GFCCVEGCSA-N -2 0 303.318 1.417 20 0 DDADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000263569108 408177883 /nfs/dbraw/zinc/17/78/83/408177883.db2.gz HIBNAHNMJPWYKR-VIFPVBQESA-N -2 0 324.299 1.013 20 0 DDADRL COC(=O)c1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000314186003 164013070 /nfs/dbraw/zinc/01/30/70/164013070.db2.gz FLDXBDJFDKDWOL-UHFFFAOYSA-N -2 0 324.314 1.300 20 0 DDADRL CCc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000337867520 409522959 /nfs/dbraw/zinc/52/29/59/409522959.db2.gz OUMPTXUIPKBNJU-UHFFFAOYSA-N -3 0 312.303 1.442 20 0 DDADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000349087692 409683826 /nfs/dbraw/zinc/68/38/26/409683826.db2.gz WJJKCBZOFWWSFG-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CC[C@@H](CC[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000297284571 409892898 /nfs/dbraw/zinc/89/28/98/409892898.db2.gz UHXFVRPONCQBKM-QMMMGPOBSA-N -2 0 307.318 1.744 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC000340078693 410661798 /nfs/dbraw/zinc/66/17/98/410661798.db2.gz KVGNRTGKLZSZEQ-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)CC(F)(F)F ZINC000580643360 422945800 /nfs/dbraw/zinc/94/58/00/422945800.db2.gz AFNAGQISLGYION-SFYZADRCSA-N -2 0 303.302 1.502 20 0 DDADRL Cc1n[n-]c(=NC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000564154615 421571995 /nfs/dbraw/zinc/57/19/95/421571995.db2.gz DUDBAPXBDURYRU-NSHDSACASA-N -2 0 320.374 1.428 20 0 DDADRL C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1cc([O-])cc(F)c1 ZINC000630444373 422106491 /nfs/dbraw/zinc/10/64/91/422106491.db2.gz XUOOZYBEWIPFRA-DTWKUNHWSA-N -2 0 317.338 1.405 20 0 DDADRL O=C(N=c1nc(C2CCOCC2)[n-]s1)c1ncccc1[O-] ZINC000629102701 422476771 /nfs/dbraw/zinc/47/67/71/422476771.db2.gz IDYLLJLACFPBIE-UHFFFAOYSA-N -2 0 306.347 1.207 20 0 DDADRL CC(C)c1n[n-]c(=NCCc2ccc(OCC(=O)[O-])cc2)o1 ZINC000579235804 422729768 /nfs/dbraw/zinc/72/97/68/422729768.db2.gz HQQLUMJRNHXSHF-UHFFFAOYSA-N -2 0 305.334 1.733 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)C1 ZINC000653278671 423416340 /nfs/dbraw/zinc/41/63/40/423416340.db2.gz DYCCNNDYNOOOPZ-FHUSYTEZSA-N -2 0 309.362 1.732 20 0 DDADRL CC(C)(C)c1nc(=NC(=O)NC2(CC(=O)[O-])CCC2)s[n-]1 ZINC000649540442 424010558 /nfs/dbraw/zinc/01/05/58/424010558.db2.gz WFZFQNLVYKXQQF-UHFFFAOYSA-N -2 0 312.395 1.776 20 0 DDADRL O=C([O-])C1(CN=c2[n-]c(-c3ccccc3)no2)CCOCC1 ZINC000647458583 424045609 /nfs/dbraw/zinc/04/56/09/424045609.db2.gz PKVWWDVWHYZGRE-UHFFFAOYSA-N -2 0 303.318 1.452 20 0 DDADRL C[C@@H]1CCCN(C(=O)c2cccc(OCC(=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000659764322 424232108 /nfs/dbraw/zinc/23/21/08/424232108.db2.gz OWBXOJNDRHBSOR-YGRLFVJLSA-N -2 0 321.329 1.475 20 0 DDADRL CCC(CC)(CNC(=O)NC[C@H](C(=O)[O-])C1CCC1)C(=O)[O-] ZINC000665313740 424780149 /nfs/dbraw/zinc/78/01/49/424780149.db2.gz RZMLMUONVQAYGR-NSHDSACASA-N -2 0 314.382 1.678 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c[nH]1 ZINC000547499532 303537116 /nfs/dbraw/zinc/53/71/16/303537116.db2.gz SJBKIZRNKUNDER-UHFFFAOYSA-N -2 0 305.315 1.995 20 0 DDADRL O=C(N=c1cc([C@H]2CCCO2)[nH][nH]1)c1c(F)ccc(O)c1F ZINC000570637622 308174500 /nfs/dbraw/zinc/17/45/00/308174500.db2.gz ZXONKDNOEZYFPC-SNVBAGLBSA-N -2 0 309.272 1.919 20 0 DDADRL CC[C@H](C)[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C(=O)[O-] ZINC000579473245 308534410 /nfs/dbraw/zinc/53/44/10/308534410.db2.gz MPMCLOSZJYNXTE-KWQFWETISA-N -2 0 319.317 1.259 20 0 DDADRL C[C@@H](C[C@H]1CCCO1)NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000582358395 326018098 /nfs/dbraw/zinc/01/80/98/326018098.db2.gz UTAJLXUKIOPHCS-WCBMZHEXSA-N -2 0 319.404 1.682 20 0 DDADRL O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663025870 484609285 /nfs/dbraw/zinc/60/92/85/484609285.db2.gz LUULNOCPRLSYBD-ZFWWWQNUSA-N -2 0 319.357 1.690 20 0 DDADRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736196865 599735049 /nfs/dbraw/zinc/73/50/49/599735049.db2.gz QJNVDMITGGUAAL-UHFFFAOYSA-N -2 0 309.299 1.981 20 0 DDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)Cc1ccc(Cl)cc1 ZINC000739693168 600461696 /nfs/dbraw/zinc/46/16/96/600461696.db2.gz WLCOVUYLBOAYQX-UHFFFAOYSA-N -2 0 319.766 1.193 20 0 DDADRL CSc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)nc1 ZINC000832780809 600983209 /nfs/dbraw/zinc/98/32/09/600983209.db2.gz GNSOWRISOCVUFT-UHFFFAOYSA-N -2 0 313.360 1.631 20 0 DDADRL Cc1cc(C)c(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)o1 ZINC000832872237 601142416 /nfs/dbraw/zinc/14/24/16/601142416.db2.gz LVHQEFFSSMVJEZ-UHFFFAOYSA-N -2 0 323.326 1.713 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000829209170 601239817 /nfs/dbraw/zinc/23/98/17/601239817.db2.gz RMDPELOLQHXFRO-TUAOUCFPSA-N -2 0 319.423 1.760 20 0 DDADRL CC(C)[C@H](NC(=O)CSc1n[n-]c(=S)s1)C(=O)[O-] ZINC000817965312 601273916 /nfs/dbraw/zinc/27/39/16/601273916.db2.gz LXYYJGYKDZJXCA-LURJTMIESA-N -2 0 307.422 1.144 20 0 DDADRL Cc1nnc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)s1 ZINC000123510452 601501347 /nfs/dbraw/zinc/50/13/47/601501347.db2.gz GPMNERJDOSYGIA-UHFFFAOYSA-N -2 0 313.360 1.274 20 0 DDADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000833345839 601830972 /nfs/dbraw/zinc/83/09/72/601830972.db2.gz ZOYPVZXWHDIPME-UHFFFAOYSA-N -2 0 320.298 1.920 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC23CCC3)s1 ZINC000833324615 601973203 /nfs/dbraw/zinc/97/32/03/601973203.db2.gz IMQXGZTZCJBFHF-SSDOTTSWSA-N -2 0 315.372 1.441 20 0 DDADRL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1C ZINC000313749170 602211220 /nfs/dbraw/zinc/21/12/20/602211220.db2.gz FBPVDEJMGLSVOT-UHFFFAOYSA-N -2 0 309.347 1.834 20 0 DDADRL CC(C)(CNC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1F ZINC000738752961 602318026 /nfs/dbraw/zinc/31/80/26/602318026.db2.gz RYDNELKGDRWCRO-UHFFFAOYSA-N -2 0 308.306 1.289 20 0 DDADRL C[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)C[C@@H](C)N1C(=O)[O-] ZINC000739185800 602839113 /nfs/dbraw/zinc/83/91/13/602839113.db2.gz DUWZNQNEXKEDFK-RKDXNWHRSA-N -2 0 322.390 1.970 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)C1CCN(C(=O)[O-])CC1 ZINC000737788485 602997489 /nfs/dbraw/zinc/99/74/89/602997489.db2.gz WMIUIZWMTZQZAV-UHFFFAOYSA-N -2 0 306.384 1.011 20 0 DDADRL O=C([O-])Nc1cc(C(=O)[N-]S(=O)(=O)CC2CC2)ccc1F ZINC000740695377 602998164 /nfs/dbraw/zinc/99/81/64/602998164.db2.gz JBIOMXDJYYLDRA-UHFFFAOYSA-N -2 0 316.310 1.385 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000826576674 603447765 /nfs/dbraw/zinc/44/77/65/603447765.db2.gz XWWZVRBOHCIWCG-VHSXEESVSA-N -2 0 320.411 1.447 20 0 DDADRL O=C([O-])NC1(CC(=O)[N-]S(=O)(=O)c2cccs2)CCC1 ZINC000832211088 604250930 /nfs/dbraw/zinc/25/09/30/604250930.db2.gz MILJPWAEBRBULP-UHFFFAOYSA-N -2 0 318.376 1.133 20 0 DDADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000833244162 604623291 /nfs/dbraw/zinc/62/32/91/604623291.db2.gz UUSWGYVDVLRADR-UHFFFAOYSA-N -2 0 312.372 1.961 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCOC3(CCC3)C2)o1 ZINC000833323438 604665223 /nfs/dbraw/zinc/66/52/23/604665223.db2.gz RTQXTQDVGYKFFE-SECBINFHSA-N -2 0 315.347 1.358 20 0 DDADRL CN(C(=O)c1c([O-])cc(F)cc1F)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827926412 604923521 /nfs/dbraw/zinc/92/35/21/604923521.db2.gz BLAUMAHYURZULD-MRVPVSSYSA-N -2 0 300.261 1.495 20 0 DDADRL CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)cc1 ZINC000316984398 605162813 /nfs/dbraw/zinc/16/28/13/605162813.db2.gz LZHMHVHVFBWCRC-UHFFFAOYSA-N -2 0 320.326 1.783 20 0 DDADRL O=C([O-])NCCC(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000832599133 605179279 /nfs/dbraw/zinc/17/92/79/605179279.db2.gz CHSQFCVWKDDCEH-UHFFFAOYSA-N -2 0 318.289 1.167 20 0 DDADRL COC[C@](C)(CC(=O)[O-])NC(=O)c1cccc(Cl)c1[O-] ZINC000833721734 605256647 /nfs/dbraw/zinc/25/66/47/605256647.db2.gz FPJKUTOEPLESFV-ZDUSSCGKSA-N -2 0 301.726 1.655 20 0 DDADRL O=C([O-])N[C@@H](C(=O)[N-]OCc1cccnc1)c1ccccc1 ZINC000834251001 605665228 /nfs/dbraw/zinc/66/52/28/605665228.db2.gz LJDWIJWJNKHHJJ-CYBMUJFWSA-N -2 0 301.302 1.638 20 0 DDADRL O=C([O-])Nc1ccc(C(=O)N2CCC[C@H](CCO)C2)c(O)c1 ZINC000834258598 605970802 /nfs/dbraw/zinc/97/08/02/605970802.db2.gz REXKJVJGGHAVJJ-SNVBAGLBSA-N -2 0 308.334 1.717 20 0 DDADRL O=C([O-])Cc1csc(NC(=O)[C@@H]2CCCCN2C(=O)[O-])n1 ZINC000834069840 606027928 /nfs/dbraw/zinc/02/79/28/606027928.db2.gz YEGFADMFGWOWLU-QMMMGPOBSA-N -2 0 313.335 1.241 20 0 DDADRL O=C([O-])[C@H](Cc1ccccc1)NC(=O)CN(CC1CC1)C(=O)[O-] ZINC000834007711 606029653 /nfs/dbraw/zinc/02/96/53/606029653.db2.gz WPMMDRGURHDFOF-ZDUSSCGKSA-N -2 0 320.345 1.189 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)C1 ZINC000834163619 606035222 /nfs/dbraw/zinc/03/52/22/606035222.db2.gz LMOPFMKZWDUZGY-AXFHLTTASA-N -2 0 310.350 1.136 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)N[C@H](C(=O)[O-])c2ccccc2)C1 ZINC000834163298 606049172 /nfs/dbraw/zinc/04/91/72/606049172.db2.gz JUTZFIRFZSYMMJ-UTUOFQBUSA-N -2 0 306.318 1.365 20 0 DDADRL O=C([O-])[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000834061705 606052539 /nfs/dbraw/zinc/05/25/39/606052539.db2.gz YGSDOEOVLSHWTA-DGCLKSJQSA-N -2 0 318.329 1.197 20 0 DDADRL O=C([O-])COc1cccc(NC(=O)C2(NC(=O)[O-])CCCC2)c1 ZINC000834066731 606057218 /nfs/dbraw/zinc/05/72/18/606057218.db2.gz VWUFCIGEJGOTKS-UHFFFAOYSA-N -2 0 322.317 1.669 20 0 DDADRL O=C([O-])CSCCNC(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000834066342 606061414 /nfs/dbraw/zinc/06/14/14/606061414.db2.gz SKPQPCQZWXEXDW-UHFFFAOYSA-N -2 0 312.347 1.253 20 0 DDADRL Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[O-])cc1C(=O)[O-] ZINC000833905329 606064434 /nfs/dbraw/zinc/06/44/34/606064434.db2.gz NNUUAIKRPWZUDE-SNVBAGLBSA-N -2 0 310.331 1.685 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000834170481 606065681 /nfs/dbraw/zinc/06/56/81/606065681.db2.gz OQOXHMDEXNOPGN-JHJVBQTASA-N -2 0 320.345 1.407 20 0 DDADRL O=C([O-])NCCCC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000834230189 606072061 /nfs/dbraw/zinc/07/20/61/606072061.db2.gz RVCZHFDBEYNHDR-WDEREUQCSA-N -2 0 300.355 1.574 20 0 DDADRL O=C([O-])CCC1CCN(C(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])CC1 ZINC000834060642 606114023 /nfs/dbraw/zinc/11/40/23/606114023.db2.gz UGCZTKOUHWRWBC-VXGBXAGGSA-N -2 0 312.366 1.526 20 0 DDADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)NCC2CCC2)c1 ZINC000132043546 696810551 /nfs/dbraw/zinc/81/05/51/696810551.db2.gz KGTMPDIGOKYFFQ-UHFFFAOYSA-N -2 0 305.302 1.741 20 0 DDADRL Cc1cc(C(=O)NOC/C=C/Cl)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000794295611 699801136 /nfs/dbraw/zinc/80/11/36/699801136.db2.gz JJDSWGNSKWYKMY-NSCUHMNNSA-N -2 0 310.697 1.158 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)nn1C ZINC000817352665 702348973 /nfs/dbraw/zinc/34/89/73/702348973.db2.gz KCTPXWIYQMBBSX-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL COCCCCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000844893166 703081655 /nfs/dbraw/zinc/08/16/55/703081655.db2.gz YFGLCIGXTBVCRK-UHFFFAOYSA-N -2 0 323.317 1.368 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1csc(C2CCCCC2)n1 ZINC000854611965 704425821 /nfs/dbraw/zinc/42/58/21/704425821.db2.gz IGJIBEAAVCGWDG-UHFFFAOYSA-N -2 0 309.351 1.577 20 0 DDADRL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CC2)c1 ZINC000863952299 706044802 /nfs/dbraw/zinc/04/48/02/706044802.db2.gz RDZHQOFKPLJWFQ-GFCCVEGCSA-N -2 0 311.359 1.219 20 0 DDADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000863954157 706045453 /nfs/dbraw/zinc/04/54/53/706045453.db2.gz PDCRCTXYLFKXAX-CQSZACIVSA-N -2 0 317.407 1.514 20 0 DDADRL Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)CCC(=O)[O-] ZINC000863957222 706046360 /nfs/dbraw/zinc/04/63/60/706046360.db2.gz LVVHHXFESGIAMF-UHFFFAOYSA-N -2 0 305.739 1.318 20 0 DDADRL O=C([O-])c1ccoc1S(=O)(=O)NCCSC(F)(F)F ZINC000871992801 707272498 /nfs/dbraw/zinc/27/24/98/707272498.db2.gz DPUTYGAXVINBDP-UHFFFAOYSA-N -2 0 319.282 1.509 20 0 DDADRL Cc1cc(=O)[nH]c(CN2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)n1 ZINC000830121319 706459602 /nfs/dbraw/zinc/45/96/02/706459602.db2.gz BTZGTMAWIAHHLO-QWHCGFSZSA-N -2 0 320.393 1.845 20 0 DDADRL CN(C)c1cccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910186898 709802413 /nfs/dbraw/zinc/80/24/13/709802413.db2.gz WSBOSNUPFBKDEN-WCQYABFASA-N -2 0 320.345 1.143 20 0 DDADRL Cc1ccc(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC000910190279 709804520 /nfs/dbraw/zinc/80/45/20/709804520.db2.gz VUFPBFYWGKATPQ-STQMWFEESA-N -2 0 305.330 1.314 20 0 DDADRL Cc1cc(F)ccc1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910192900 709806015 /nfs/dbraw/zinc/80/60/15/709806015.db2.gz XCYYFNVBWKGGSF-BXKDBHETSA-N -2 0 309.293 1.524 20 0 DDADRL C[C@]1(C(=O)[O-])CN(C(=O)c2cc(F)c([O-])c(Cl)c2)CCO1 ZINC000910328393 709894219 /nfs/dbraw/zinc/89/42/19/709894219.db2.gz NGFJDZRGOTZUSF-CYBMUJFWSA-N -2 0 317.700 1.500 20 0 DDADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000901654281 710109620 /nfs/dbraw/zinc/10/96/20/710109620.db2.gz ISESWKQVHSSUKZ-PWSUYJOCSA-N -2 0 305.330 1.497 20 0 DDADRL O=C([N-][C@H](c1nn[n-]n1)c1ccccc1)C(F)(F)C(F)F ZINC000913437055 713215384 /nfs/dbraw/zinc/21/53/84/713215384.db2.gz BBUDMFPOCNAISQ-ZETCQYMHSA-N -2 0 303.219 1.306 20 0 DDADRL Cc1cccc(C)c1CS(=O)(=O)[N-]CC(F)(F)C(=O)[O-] ZINC000906000094 712216769 /nfs/dbraw/zinc/21/67/69/712216769.db2.gz UEQPAFWNIDISAQ-UHFFFAOYSA-N -2 0 307.318 1.443 20 0 DDADRL O=C([O-])[C@@H](F)C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000906005252 712218298 /nfs/dbraw/zinc/21/82/98/712218298.db2.gz OBNYAZXOYKOAFP-YFKPBYRVSA-N -2 0 317.125 1.089 20 0 DDADRL CC1=C(C)CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])CC1 ZINC000906963891 712450810 /nfs/dbraw/zinc/45/08/10/712450810.db2.gz TWBQFYNFEMLOFF-UHFFFAOYSA-N -2 0 311.359 1.821 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CC)C(=O)[O-] ZINC000917721106 713511521 /nfs/dbraw/zinc/51/15/21/713511521.db2.gz XERXDGXFPOOLGL-JTQLQIEISA-N -2 0 315.347 1.089 20 0 DDADRL COc1ccncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185876099 744300793 /nfs/dbraw/zinc/30/07/93/744300793.db2.gz LXCNPOGJGNXEAM-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL Nc1c2c(=O)nccc-2[n-]n1C(=O)c1cc(F)c(F)c([O-])c1F ZINC001186802186 744445561 /nfs/dbraw/zinc/44/55/61/744445561.db2.gz QUEXPQRERQKDGC-UHFFFAOYSA-N -2 0 324.218 1.070 20 0 DDADRL O=c1[nH][nH]c(=O)c2c([N-]S(=O)(=O)c3ccncc3)cccc12 ZINC001190893789 745370477 /nfs/dbraw/zinc/37/04/77/745370477.db2.gz QEYFTMKFFVRDHC-UHFFFAOYSA-N -2 0 318.314 1.237 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1ccccc1N1CCCC1 ZINC001191246809 745464583 /nfs/dbraw/zinc/46/45/83/745464583.db2.gz NXFGOQLMEUTZBQ-UHFFFAOYSA-N -2 0 314.278 1.126 20 0 DDADRL Cc1ncncc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192109832 745692223 /nfs/dbraw/zinc/69/22/23/745692223.db2.gz MUDUIHCQGOUCHE-UHFFFAOYSA-N -2 0 321.358 1.603 20 0 DDADRL O=C(NCCCC[P@](=O)([O-])O)c1cc(F)c([O-])cc1F ZINC001192875546 745910749 /nfs/dbraw/zinc/91/07/49/745910749.db2.gz BZNGDVXFXIIJIN-UHFFFAOYSA-N -2 0 309.205 1.358 20 0 DDADRL Cc1cc(F)cc(C(=O)NCCOP(=O)([O-])[O-])c1Cl ZINC001193315285 746075938 /nfs/dbraw/zinc/07/59/38/746075938.db2.gz PJDQCFJRBXEQNT-UHFFFAOYSA-N -2 0 311.633 1.627 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncs2)c(F)cc1F ZINC001195194555 746547335 /nfs/dbraw/zinc/54/73/35/746547335.db2.gz HPVDULYASSXBGW-UHFFFAOYSA-N -2 0 320.298 1.920 20 0 DDADRL O=C(NCCCC[P@](=O)([O-])O)c1cc(Cl)ncc1[O-] ZINC001196399986 746857184 /nfs/dbraw/zinc/85/71/84/746857184.db2.gz KARGWWUDPDNDDT-UHFFFAOYSA-N -2 0 308.658 1.128 20 0 DDADRL Cc1cnc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])nc1C ZINC001198730395 747582427 /nfs/dbraw/zinc/58/24/27/747582427.db2.gz MCHYDLKNMFQASH-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cc2cccnc2s1 ZINC001149538477 861696143 /nfs/dbraw/zinc/69/61/43/861696143.db2.gz ABZGWIYCBGBDHQ-UHFFFAOYSA-N -2 0 302.248 1.135 20 0 DDADRL CC(C)c1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001222118035 880267950 /nfs/dbraw/zinc/26/79/50/880267950.db2.gz RSLIUKXIJSXLMF-GXTWGEPZSA-N -2 0 324.329 1.390 20 0 DDADRL CC(C)c1ccccc1COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001223911670 881142556 /nfs/dbraw/zinc/14/25/56/881142556.db2.gz WWVNWMQRDUWFGE-JSGCOSHPSA-N -2 0 324.329 1.390 20 0 DDADRL O=C(NCc1nc(=O)o[n-]1)c1cccc(C(F)(F)F)c1[O-] ZINC001362353565 883629718 /nfs/dbraw/zinc/62/97/18/883629718.db2.gz XOEUKWONEIOILE-UHFFFAOYSA-N -2 0 303.196 1.017 20 0 DDADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(C(F)F)cc1)[C@H](O)C(=O)[O-] ZINC001229709339 884122223 /nfs/dbraw/zinc/12/22/23/884122223.db2.gz NDVAVYKPSZQOJA-SCZZXKLOSA-N -2 0 318.228 1.066 20 0 DDADRL C[C@H](CN1CCOCC1)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234341578 887881476 /nfs/dbraw/zinc/88/14/76/887881476.db2.gz ZWIMYHZPRKFLEL-LLVKDONJSA-N -2 0 317.278 1.258 20 0 DDADRL Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC001237603178 889741564 /nfs/dbraw/zinc/74/15/64/889741564.db2.gz LJQOBKILQDMHTM-UHFFFAOYSA-N -2 0 310.306 1.907 20 0 DDADRL CCOC(=O)c1cnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1 ZINC001242159896 891354992 /nfs/dbraw/zinc/35/49/92/891354992.db2.gz WEYZVYJOBBZNRN-UHFFFAOYSA-N -2 0 316.269 1.717 20 0 DDADRL CC(=O)Nc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ncn1 ZINC001242161320 891355646 /nfs/dbraw/zinc/35/56/46/891355646.db2.gz XHSROAGMESXPBL-UHFFFAOYSA-N -2 0 301.258 1.498 20 0 DDADRL COCCn1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1=O ZINC001242163777 891358210 /nfs/dbraw/zinc/35/82/10/891358210.db2.gz LAMHETOMYJJREF-UHFFFAOYSA-N -2 0 317.297 1.558 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cn(C)cn2)c(C(=O)[O-])cc1C ZINC000358505066 299177296 /nfs/dbraw/zinc/17/72/96/299177296.db2.gz UHKMAERAKWFVHD-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cnoc1 ZINC000623946558 366125198 /nfs/dbraw/zinc/12/51/98/366125198.db2.gz SJAZZICLOVHGEC-UHFFFAOYSA-N -2 0 312.303 1.111 20 0 DDADRL CC(C)(C)OC(=O)[C@@H](C(=O)N=c1ccc(=O)[nH][nH]1)C(C)(C)C ZINC000598833584 357738955 /nfs/dbraw/zinc/73/89/55/357738955.db2.gz ZVNRHAKTCJKRKB-LLVKDONJSA-N -2 0 309.366 1.547 20 0 DDADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000566311411 304143045 /nfs/dbraw/zinc/14/30/45/304143045.db2.gz CLTFUWABOGIZIM-QPUJVOFHSA-N -2 0 315.347 1.313 20 0 DDADRL CC(C)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000093091680 193203583 /nfs/dbraw/zinc/20/35/83/193203583.db2.gz ZPVDBSGZJSKXEW-NSHDSACASA-N -2 0 315.347 1.016 20 0 DDADRL O=C([O-])CC1(NS(=O)(=O)c2ccc(F)cc2F)CCC1 ZINC000094291175 193356269 /nfs/dbraw/zinc/35/62/69/193356269.db2.gz LUWISYNDMLGMJD-UHFFFAOYSA-N -2 0 305.302 1.641 20 0 DDADRL O=C([O-])CCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000013340708 181845503 /nfs/dbraw/zinc/84/55/03/181845503.db2.gz GNGZTFWAEOCHOZ-UHFFFAOYSA-N -2 0 321.738 1.181 20 0 DDADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cnoc2)c1 ZINC000060393590 184147926 /nfs/dbraw/zinc/14/79/26/184147926.db2.gz WRJATKGAQPMNHE-UHFFFAOYSA-N -2 0 302.695 1.827 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c[nH]1 ZINC000061117794 184162077 /nfs/dbraw/zinc/16/20/77/184162077.db2.gz XYACWGBPXYNQBW-UHFFFAOYSA-N -2 0 320.248 1.931 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])nc1C ZINC000050265461 407129995 /nfs/dbraw/zinc/12/99/95/407129995.db2.gz BWJYRALATMZUTL-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL CC[C@H](CCNS(=O)(=O)c1sc(C)nc1C)C(=O)[O-] ZINC000296839895 409660026 /nfs/dbraw/zinc/66/00/26/409660026.db2.gz BSUCMRGRTCLEIY-SECBINFHSA-N -2 0 306.409 1.539 20 0 DDADRL O=S(=O)(CCOCC(F)(F)F)Nc1cc(O)cc(F)c1 ZINC000357155034 409907648 /nfs/dbraw/zinc/90/76/48/409907648.db2.gz ZSZWGEUCEKVXAU-UHFFFAOYSA-N -2 0 317.260 1.852 20 0 DDADRL COC1(CS(=O)(=O)[N-]c2cccc(C)c2O)CCOCC1 ZINC000650185154 423076129 /nfs/dbraw/zinc/07/61/29/423076129.db2.gz RSBBFBLZBIKZFY-UHFFFAOYSA-N -2 0 315.391 1.638 20 0 DDADRL O=C([N-][C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)C(F)F ZINC000365507108 418869364 /nfs/dbraw/zinc/86/93/64/418869364.db2.gz LEBZWWGVFDTBDQ-SSDOTTSWSA-N -2 0 305.647 1.463 20 0 DDADRL C[C@H]1CCN(C(=O)NCCCCCC(=O)[O-])C[C@@H]1C(=O)[O-] ZINC000572032601 304502854 /nfs/dbraw/zinc/50/28/54/304502854.db2.gz SNFDNWCQQVUUEG-QWRGUYRKSA-N -2 0 300.355 1.384 20 0 DDADRL N#Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)c(F)c1 ZINC000547617394 421348069 /nfs/dbraw/zinc/34/80/69/421348069.db2.gz NRQIZIATXPGOKB-NXEZZACHSA-N -2 0 310.306 1.005 20 0 DDADRL O=C([O-])CN(Cc1ccc(F)cc1)C(=O)N=c1[n-]ncs1 ZINC000572581237 421802300 /nfs/dbraw/zinc/80/23/00/421802300.db2.gz VMNYAGDUOYAYDM-UHFFFAOYSA-N -2 0 310.310 1.218 20 0 DDADRL O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000630441670 422106441 /nfs/dbraw/zinc/10/64/41/422106441.db2.gz PCMIVBGAUDDEGE-QMMMGPOBSA-N -2 0 305.739 1.283 20 0 DDADRL C[C@@H]1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)C[C@@H]1C(=O)[O-] ZINC000630444365 422106793 /nfs/dbraw/zinc/10/67/93/422106793.db2.gz DVWGAWHOPSJROH-PELKAZGASA-N -2 0 317.338 1.263 20 0 DDADRL O=C(N=c1nc(C2CCOCC2)[n-]s1)c1ccc(F)cc1[O-] ZINC000629101692 422476780 /nfs/dbraw/zinc/47/67/80/422476780.db2.gz KDPYXMYMLNMSDZ-UHFFFAOYSA-N -2 0 323.349 1.951 20 0 DDADRL COc1ccc(CN=c2nc([C@H](C)OC)[n-]s2)cc1C(=O)[O-] ZINC000649400202 423858965 /nfs/dbraw/zinc/85/89/65/423858965.db2.gz OPHSDMSBDPMPLX-QMMMGPOBSA-N -2 0 323.374 1.986 20 0 DDADRL CC(C)n1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)n1 ZINC000357101351 306871468 /nfs/dbraw/zinc/87/14/68/306871468.db2.gz HNZJHPKVJKNVHW-UHFFFAOYSA-N -2 0 323.374 1.892 20 0 DDADRL Cc1ccc(C)c(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c1 ZINC000537639135 303377262 /nfs/dbraw/zinc/37/72/62/303377262.db2.gz IHRDYWFESSLOSD-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1C(=O)[O-] ZINC000547879041 303557659 /nfs/dbraw/zinc/55/76/59/303557659.db2.gz KLQSWXPCCFATIZ-UHFFFAOYSA-N -2 0 324.362 1.283 20 0 DDADRL O=C([O-])c1ccc(NS(=O)(=O)CCCF)cc1C(=O)[O-] ZINC000548198117 303577001 /nfs/dbraw/zinc/57/70/01/303577001.db2.gz DRUUUEHTXFYKPU-UHFFFAOYSA-N -2 0 305.283 1.184 20 0 DDADRL O=C([O-])c1cccc(CC[N-]S(=O)(=O)CC(F)(F)F)c1 ZINC000574743178 308271147 /nfs/dbraw/zinc/27/11/47/308271147.db2.gz FWASHSPOFLDONY-UHFFFAOYSA-N -2 0 311.281 1.409 20 0 DDADRL O=C([O-])[C@H]1C[C@H](NC(=O)C2(C(=O)[O-])CC=CC2)c2ccccc21 ZINC000663121034 484685081 /nfs/dbraw/zinc/68/50/81/484685081.db2.gz WESNFBPLSNSFJQ-STQMWFEESA-N -2 0 315.325 1.837 20 0 DDADRL O=C([O-])CCCCC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000663136576 484695162 /nfs/dbraw/zinc/69/51/62/484695162.db2.gz XSSNYUSZKQJXDA-CYBMUJFWSA-N -2 0 305.330 1.842 20 0 DDADRL CCC(C)(C)N(C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000684895613 486454741 /nfs/dbraw/zinc/45/47/41/486454741.db2.gz FLSZSDOYOURHIQ-UWVGGRQHSA-N -2 0 300.355 1.334 20 0 DDADRL CC(C)C[C@@H](CNC(=O)N=c1nc2ccccn2[n-]1)C(=O)[O-] ZINC000424385800 528322306 /nfs/dbraw/zinc/32/23/06/528322306.db2.gz USYNMRXZPDUNOL-JTQLQIEISA-N -2 0 305.338 1.020 20 0 DDADRL CC(C)C[C@H](CNC(=O)N=c1ccc(OC(C)C)n[n-]1)C(=O)[O-] ZINC000424389779 528525347 /nfs/dbraw/zinc/52/53/47/528525347.db2.gz LSOSFAPNBHOTBM-LLVKDONJSA-N -2 0 324.381 1.554 20 0 DDADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c[nH]1 ZINC000817990696 597452505 /nfs/dbraw/zinc/45/25/05/597452505.db2.gz WPYVIKZFJGSZEX-UHFFFAOYSA-N -2 0 323.374 1.961 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])nc1C ZINC000315905358 598093356 /nfs/dbraw/zinc/09/33/56/598093356.db2.gz MMYUWNKSVDYJAP-UHFFFAOYSA-N -2 0 323.374 1.639 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000739545768 599728258 /nfs/dbraw/zinc/72/82/58/599728258.db2.gz BWJUCCNRJIGMEO-QWHCGFSZSA-N -2 0 323.370 1.091 20 0 DDADRL O=C([O-])CSCc1cccc(NC(=O)c2n[nH]c(=O)[n-]2)c1 ZINC000739874174 599992103 /nfs/dbraw/zinc/99/21/03/599992103.db2.gz NWFIBNJFMXEHQS-UHFFFAOYSA-N -2 0 308.319 1.080 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)c2cscn2)s1 ZINC000739453624 600056873 /nfs/dbraw/zinc/05/68/73/600056873.db2.gz KUNCLIIWYDLKTR-UHFFFAOYSA-N -2 0 318.357 1.022 20 0 DDADRL CC(C)CS(=O)(=O)[N-]C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736449734 600057030 /nfs/dbraw/zinc/05/70/30/600057030.db2.gz YBYGAPVJICILIA-UHFFFAOYSA-N -2 0 300.336 1.492 20 0 DDADRL O=C([O-])[C@@H]1CCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC000739594397 600101968 /nfs/dbraw/zinc/10/19/68/600101968.db2.gz OJSAAHZZZIOGKF-SSDOTTSWSA-N -2 0 314.135 1.701 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C#N)cn1 ZINC000314929995 600178736 /nfs/dbraw/zinc/17/87/36/600178736.db2.gz RHPKWZCYPDCAMN-UHFFFAOYSA-N -2 0 317.326 1.761 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n(C)n1 ZINC000737251254 600246949 /nfs/dbraw/zinc/24/69/49/600246949.db2.gz BPMIAYYTWUMWAV-UHFFFAOYSA-N -2 0 309.347 1.482 20 0 DDADRL C[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736562969 600465594 /nfs/dbraw/zinc/46/55/94/600465594.db2.gz QDKHXOOABVVRJQ-JTQLQIEISA-N -2 0 305.396 1.514 20 0 DDADRL CC(=O)c1cccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c1 ZINC000316241779 600514010 /nfs/dbraw/zinc/51/40/10/600514010.db2.gz QBYJVVFYYGGLPT-UHFFFAOYSA-N -2 0 320.326 1.783 20 0 DDADRL CCOCCCCNS(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000830000639 601217631 /nfs/dbraw/zinc/21/76/31/601217631.db2.gz JBOTZSGFKNHGLV-UHFFFAOYSA-N -2 0 305.352 1.381 20 0 DDADRL C[C@](NC(=O)CSc1n[n-]c(=S)s1)(C(=O)[O-])C1CC1 ZINC000827635999 601287999 /nfs/dbraw/zinc/28/79/99/601287999.db2.gz JJHJCOCSLQTZDW-SNVBAGLBSA-N -2 0 319.433 1.288 20 0 DDADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000832265509 601362707 /nfs/dbraw/zinc/36/27/07/601362707.db2.gz OTLNZIXELVKABS-UHFFFAOYSA-N -2 0 312.303 1.491 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C2CC2)c1 ZINC000833333099 601364276 /nfs/dbraw/zinc/36/42/76/601364276.db2.gz HCGIITUSZNVMNB-NEPJUHHUSA-N -2 0 309.343 1.236 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)s1 ZINC000832955824 601784881 /nfs/dbraw/zinc/78/48/81/601784881.db2.gz MWVAPPSRVAOBFT-UHFFFAOYSA-N -2 0 300.361 1.894 20 0 DDADRL COc1ccsc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccn1 ZINC000832643066 602101858 /nfs/dbraw/zinc/10/18/58/602101858.db2.gz QBJLXGPABQGJMP-UHFFFAOYSA-N -2 0 314.344 1.651 20 0 DDADRL O=C([O-])c1nscc1[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000833346706 602156600 /nfs/dbraw/zinc/15/66/00/602156600.db2.gz NYGDFDSNIBVTAK-UHFFFAOYSA-N -2 0 316.335 1.922 20 0 DDADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000827304479 602179112 /nfs/dbraw/zinc/17/91/12/602179112.db2.gz VYLCVUNKUFFPOF-SECBINFHSA-N -2 0 311.359 1.091 20 0 DDADRL Cc1ccc(-n2[n-]nnc2=NCC[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000740106732 602687865 /nfs/dbraw/zinc/68/78/65/602687865.db2.gz UXIOEVIYKWTRHM-GFCCVEGCSA-N -2 0 316.365 1.195 20 0 DDADRL C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000833406455 604880776 /nfs/dbraw/zinc/88/07/76/604880776.db2.gz GTRLESJBGHKJQM-ZCFIWIBFSA-N -2 0 321.738 1.132 20 0 DDADRL CS/C=C\C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000832747634 604936628 /nfs/dbraw/zinc/93/66/28/604936628.db2.gz FGSJXRNIKYYGNU-ARJAWSKDSA-N -2 0 307.374 1.128 20 0 DDADRL CC(C)(C)n1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)n1 ZINC000833452192 605342927 /nfs/dbraw/zinc/34/29/27/605342927.db2.gz PVMVIWRQPGRFSG-UHFFFAOYSA-N -2 0 314.323 1.125 20 0 DDADRL CC(C)(NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)[O-] ZINC000833461388 605526224 /nfs/dbraw/zinc/52/62/24/605526224.db2.gz SJNCRPDKPFGILI-UHFFFAOYSA-N -2 0 307.281 1.310 20 0 DDADRL Cc1ccccc1S(=O)(=O)[N-]C(=O)CCCCNC(=O)[O-] ZINC000833909653 605907389 /nfs/dbraw/zinc/90/73/89/605907389.db2.gz QOSCBAXPQQEKEE-UHFFFAOYSA-N -2 0 314.363 1.238 20 0 DDADRL O=C([O-])NCCCCCCC(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000834241009 605966169 /nfs/dbraw/zinc/96/61/69/605966169.db2.gz PHWJQBLODZPYRZ-LLVKDONJSA-N -2 0 324.385 1.124 20 0 DDADRL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CN(CC1CC1)C(=O)[O-] ZINC000834007710 606029624 /nfs/dbraw/zinc/02/96/24/606029624.db2.gz WPMMDRGURHDFOF-CYBMUJFWSA-N -2 0 320.345 1.189 20 0 DDADRL O=C([O-])C[C@H](NC(=O)[C@H]1CCN(C(=O)[O-])C1)c1ccccc1 ZINC000834061062 606029676 /nfs/dbraw/zinc/02/96/76/606029676.db2.gz NTCNSFWNGUKWIS-RYUDHWBXSA-N -2 0 306.318 1.319 20 0 DDADRL O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@H]1CCCN1C(=O)[O-] ZINC000834283717 606035043 /nfs/dbraw/zinc/03/50/43/606035043.db2.gz UUTACUBEVCDJCM-GFCCVEGCSA-N -2 0 304.302 1.416 20 0 DDADRL O=C([O-])NCCCC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000834230422 606049083 /nfs/dbraw/zinc/04/90/83/606049083.db2.gz USXVMEBEOKXYSP-LLVKDONJSA-N -2 0 316.260 1.255 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)CNC(=O)[O-])c2ccccc12 ZINC000834065629 606054750 /nfs/dbraw/zinc/05/47/50/606054750.db2.gz NWTAZMPOQNZJHY-UHFFFAOYSA-N -2 0 318.285 1.509 20 0 DDADRL O=C([O-])COc1cccc(NC(=O)CN(CC2CC2)C(=O)[O-])c1 ZINC000834066393 606057089 /nfs/dbraw/zinc/05/70/89/606057089.db2.gz TVYJMDLSTYKPSB-UHFFFAOYSA-N -2 0 322.317 1.479 20 0 DDADRL O=C([O-])[C@H](CNC(=O)[C@H]1CCCN1C(=O)[O-])c1ccccc1 ZINC000834057529 606064827 /nfs/dbraw/zinc/06/48/27/606064827.db2.gz GAYWRTLMKZTZDO-VXGBXAGGSA-N -2 0 306.318 1.113 20 0 DDADRL CCC1CCC(NC(=O)CC2CN(C(=O)[O-])C2)(C(=O)[O-])CC1 ZINC000833843297 606066063 /nfs/dbraw/zinc/06/60/63/606066063.db2.gz AWYOGMKISRVZCH-UHFFFAOYSA-N -2 0 312.366 1.526 20 0 DDADRL O=C([O-])Cc1cccc(NC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])c1 ZINC000834064597 606066377 /nfs/dbraw/zinc/06/63/77/606066377.db2.gz CJHKXSNDXMCNCU-RYUDHWBXSA-N -2 0 306.318 1.689 20 0 DDADRL CCCCC[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)[O-])C(=O)[O-] ZINC000833853513 606067418 /nfs/dbraw/zinc/06/74/18/606067418.db2.gz QHOHKYCKYVHBLH-WDEREUQCSA-N -2 0 300.355 1.669 20 0 DDADRL O=C([O-])N[C@H](CCC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000834138346 606112686 /nfs/dbraw/zinc/11/26/86/606112686.db2.gz UCIRUMJLZMGWSB-QWHCGFSZSA-N -2 0 320.345 1.709 20 0 DDADRL CS[C@@H]1CC[C@@H](NS(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000235094718 697792717 /nfs/dbraw/zinc/79/27/17/697792717.db2.gz JGMJABKCEOJKGY-RNFRBKRXSA-N -2 0 322.433 1.404 20 0 DDADRL O=C([O-])CCCNC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263470770 698508969 /nfs/dbraw/zinc/50/89/69/698508969.db2.gz LGZUNSZDIPFTOU-CYBMUJFWSA-N -2 0 322.361 1.627 20 0 DDADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cnoc2)cc1C(=O)[O-] ZINC000753777990 700456959 /nfs/dbraw/zinc/45/69/59/700456959.db2.gz KRAQFROOQUVYGF-UHFFFAOYSA-N -2 0 300.267 1.621 20 0 DDADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cncnc2)cc1C(=O)[O-] ZINC000767045818 701080385 /nfs/dbraw/zinc/08/03/85/701080385.db2.gz HPWSDJDKQUVFNF-UHFFFAOYSA-N -2 0 311.294 1.423 20 0 DDADRL O=C([N-]OCC1CCC1)C(F)(F)C(=O)[N-]OCC1CCC1 ZINC000866023188 706597439 /nfs/dbraw/zinc/59/74/39/706597439.db2.gz NNZDBFCXHPSRNC-UHFFFAOYSA-N -2 0 306.309 1.318 20 0 DDADRL Cc1nc(C(=O)[N-]n2c(=O)[n-][nH]c2=O)c(-c2ccccc2)o1 ZINC000816730703 702167437 /nfs/dbraw/zinc/16/74/37/702167437.db2.gz LAQPZFBKOPYZFS-UHFFFAOYSA-N -2 0 301.262 1.037 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cnc(-c2ccccc2F)s1 ZINC000816731231 702167564 /nfs/dbraw/zinc/16/75/64/702167564.db2.gz HGHHXIQANKSDKD-UHFFFAOYSA-N -2 0 321.293 1.336 20 0 DDADRL O=C([O-])[C@@H](CCCc1ccccc1)NS(=O)(=O)C(F)F ZINC000817419443 702376152 /nfs/dbraw/zinc/37/61/52/702376152.db2.gz AMQJIWRLZHWWEM-SNVBAGLBSA-N -2 0 307.318 1.605 20 0 DDADRL CC(C)Cn1[n-]c(CC(=O)[N-]Oc2ccc(F)cc2)cc1=O ZINC000824622791 705495166 /nfs/dbraw/zinc/49/51/66/705495166.db2.gz KNWRRHJRMXQDQK-UHFFFAOYSA-N -2 0 307.325 1.624 20 0 DDADRL CCc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C ZINC000863960578 706047120 /nfs/dbraw/zinc/04/71/20/706047120.db2.gz VJRIAPGUSJLJQU-LBPRGKRZSA-N -2 0 313.375 1.411 20 0 DDADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC=CC1 ZINC000863964653 706047746 /nfs/dbraw/zinc/04/77/46/706047746.db2.gz YXNCLFQPSXVMNI-OUAUKWLOSA-N -2 0 313.375 1.042 20 0 DDADRL CC1(C)OCc2[n-]n(C(=O)c3cccc(C(=O)[O-])c3)c(=O)c21 ZINC000871962753 707257139 /nfs/dbraw/zinc/25/71/39/707257139.db2.gz IEPCDFMTPVTFCP-LLVKDONJSA-N -2 0 302.286 1.148 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)C2Cc3ccccc3C2)C1 ZINC000910181867 709800371 /nfs/dbraw/zinc/80/03/71/709800371.db2.gz DNYJMOJUYAPJRZ-TZMCWYRMSA-N -2 0 317.341 1.178 20 0 DDADRL Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc(C)c1F ZINC000910183034 709801007 /nfs/dbraw/zinc/80/10/07/709801007.db2.gz KOWFFGWUNKZVIY-CMPLNLGQSA-N -2 0 323.320 1.833 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)/C=C/c2ccccc2F)C1 ZINC000910182989 709801086 /nfs/dbraw/zinc/80/10/86/709801086.db2.gz KSGZCFLBFPAZFQ-CFLAWFISSA-N -2 0 321.304 1.615 20 0 DDADRL C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])n1cccc1 ZINC000910188606 709803748 /nfs/dbraw/zinc/80/37/48/709803748.db2.gz MUXLUSPPRQAHTP-WOPDTQHZSA-N -2 0 308.334 1.216 20 0 DDADRL Cc1ccccc1CCC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910189182 709803946 /nfs/dbraw/zinc/80/39/46/709803946.db2.gz QYHYJTCHXKRONW-KBPBESRZSA-N -2 0 319.357 1.704 20 0 DDADRL C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1cccc(F)c1 ZINC000910192475 709805658 /nfs/dbraw/zinc/80/56/58/709805658.db2.gz QVDXOZKRXQTLBW-NDMJEZRESA-N -2 0 323.320 1.706 20 0 DDADRL CC(=O)c1ccc(C(=O)N2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])cc1O ZINC000910847857 710093586 /nfs/dbraw/zinc/09/35/86/710093586.db2.gz KVYBBAIZVPKVGA-SCRDCRAPSA-N -2 0 303.314 1.388 20 0 DDADRL CCC(C)(C(=O)[N-]OCC(F)F)C(=O)[N-]OCC(F)F ZINC000935387572 715043625 /nfs/dbraw/zinc/04/36/25/715043625.db2.gz DYPXGCMYMRWXSB-UHFFFAOYSA-N -2 0 304.240 1.029 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1nc2ccccc2cc1Cl ZINC001141573458 740373448 /nfs/dbraw/zinc/37/34/48/740373448.db2.gz AEONLTHKENCXPQ-UHFFFAOYSA-N -2 0 305.681 1.275 20 0 DDADRL CCc1cnc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cn1 ZINC001184665128 744080240 /nfs/dbraw/zinc/08/02/40/744080240.db2.gz YZITZAPIFZTNEF-UHFFFAOYSA-N -2 0 321.358 1.846 20 0 DDADRL COc1ccc(S(=O)(=O)[N-]c2ncncc2C)cc1C(=O)[O-] ZINC001185277807 744196431 /nfs/dbraw/zinc/19/64/31/744196431.db2.gz JTSZPSHWUFJTBN-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cn1 ZINC001185869345 744303408 /nfs/dbraw/zinc/30/34/08/744303408.db2.gz ZKUKESOTFFCXMA-UHFFFAOYSA-N -2 0 307.331 1.592 20 0 DDADRL C[C@H](CCc1ccccc1)C(=O)NCCOP(=O)([O-])[O-] ZINC001186023502 744327645 /nfs/dbraw/zinc/32/76/45/744327645.db2.gz DOTPWYRRAQSUKW-LLVKDONJSA-N -2 0 301.279 1.481 20 0 DDADRL CC(F)(F)c1ccc(C(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001190516974 745236130 /nfs/dbraw/zinc/23/61/30/745236130.db2.gz RCRINQIBFLWKSX-UHFFFAOYSA-N -2 0 309.205 1.637 20 0 DDADRL CCOC(=O)c1cnc(NC(=O)c2ccc(F)c([O-])c2F)[n-]1 ZINC001193769664 746201076 /nfs/dbraw/zinc/20/10/76/746201076.db2.gz IMODCCVLILWMDF-UHFFFAOYSA-N -2 0 311.244 1.823 20 0 DDADRL Cc1ccc(CNC(=S)NCCOP(=O)([O-])[O-])cc1 ZINC001200318609 748200949 /nfs/dbraw/zinc/20/09/49/748200949.db2.gz ACXWFHIMTORLFF-UHFFFAOYSA-N -2 0 304.308 1.068 20 0 DDADRL CCc1nc(Cl)c(NCCOP(=O)([O-])[O-])nc1CC ZINC001168589350 751201017 /nfs/dbraw/zinc/20/10/17/751201017.db2.gz HSDUOYSIJADKQM-UHFFFAOYSA-N -2 0 309.690 1.776 20 0 DDADRL CC(=O)N1CCCc2ccc(NCCOP(=O)([O-])[O-])cc21 ZINC001168590991 751215031 /nfs/dbraw/zinc/21/50/31/751215031.db2.gz FSRSIIGMAHQTLS-UHFFFAOYSA-N -2 0 314.278 1.507 20 0 DDADRL O=P([O-])([O-])OCCNC(F)(F)c1cnc(Cl)c(F)c1 ZINC001157786901 766637781 /nfs/dbraw/zinc/63/77/81/766637781.db2.gz DHDAIJCUQLJJHD-UHFFFAOYSA-N -2 0 320.591 1.622 20 0 DDADRL O=P([O-])([O-])OCCNc1nccnc1Oc1ccccc1 ZINC001157795373 766683766 /nfs/dbraw/zinc/68/37/66/766683766.db2.gz ABFVPVQXGUENQF-UHFFFAOYSA-N -2 0 311.234 1.790 20 0 DDADRL Cc1nc2c(ncnc2N)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236791 778087837 /nfs/dbraw/zinc/08/78/37/778087837.db2.gz DTPAXKNKAZNGNC-UHFFFAOYSA-N -2 0 313.273 1.103 20 0 DDADRL O=C([O-])C[C@@H](C(=O)Oc1cccc2ccccc21)[C@@H](O)C(=O)[O-] ZINC001225269540 881753419 /nfs/dbraw/zinc/75/34/19/881753419.db2.gz RNWOACGWAKWRHJ-BXUZGUMPSA-N -2 0 318.281 1.282 20 0 DDADRL Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(Cl)c1 ZINC001225344443 881786081 /nfs/dbraw/zinc/78/60/81/881786081.db2.gz IFUXDNHTEZVHLW-WRWORJQWSA-N -2 0 316.693 1.090 20 0 DDADRL Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(Cl)c1 ZINC001225344440 881787920 /nfs/dbraw/zinc/78/79/20/881787920.db2.gz IFUXDNHTEZVHLW-CPCISQLKSA-N -2 0 316.693 1.090 20 0 DDADRL Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1Cl ZINC001225864197 882074519 /nfs/dbraw/zinc/07/45/19/882074519.db2.gz XAQFIZAIIUQDHW-KWQFWETISA-N -2 0 316.693 1.090 20 0 DDADRL Cc1c(Cl)cccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225923343 882113090 /nfs/dbraw/zinc/11/30/90/882113090.db2.gz WYJQODSIQPINOB-CPCISQLKSA-N -2 0 316.693 1.090 20 0 DDADRL O=P([O-])([O-])c1ccc(NC[C@@H](O)COc2ccccc2)cc1 ZINC001163814675 868728389 /nfs/dbraw/zinc/72/83/89/868728389.db2.gz KUGOGRYBFUIIPG-CYBMUJFWSA-N -2 0 323.285 1.341 20 0 DDADRL COc1ccc([N-]S(=O)(=O)c2cncc(N)c2)cc1C(=O)[O-] ZINC001209899737 875162424 /nfs/dbraw/zinc/16/24/24/875162424.db2.gz APDNUJZOPBSIMJ-UHFFFAOYSA-N -2 0 323.330 1.171 20 0 DDADRL Nc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])nc1 ZINC001210177746 875259462 /nfs/dbraw/zinc/25/94/62/875259462.db2.gz STNBHKVOOZMVQK-UHFFFAOYSA-N -2 0 311.294 1.302 20 0 DDADRL Cc1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])ccc1C(C)C ZINC001228202873 883386510 /nfs/dbraw/zinc/38/65/10/883386510.db2.gz XQZWIVZWLJQHET-GFCCVEGCSA-N -2 0 318.262 1.494 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(-n3cnnn3)nc2)c1 ZINC001242162703 891356059 /nfs/dbraw/zinc/35/60/59/891356059.db2.gz JVIWPWOXVVAVNO-UHFFFAOYSA-N -2 0 311.257 1.121 20 0 DDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccn3c(=O)ccnc23)c1 ZINC001242162852 891356850 /nfs/dbraw/zinc/35/68/50/891356850.db2.gz KYMKIMCINNBPGP-UHFFFAOYSA-N -2 0 310.265 1.758 20 0 DDADRL CNC(=O)c1ccc(-c2ccc(P(=O)([O-])[O-])cc2)c(F)c1 ZINC001244665513 891883746 /nfs/dbraw/zinc/88/37/46/891883746.db2.gz QHRPANHJCPKPKE-UHFFFAOYSA-N -2 0 309.233 1.655 20 0 DDADRL CCOc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)no1 ZINC001260184507 899079716 /nfs/dbraw/zinc/07/97/16/899079716.db2.gz OLJITLGRGSCFEE-UHFFFAOYSA-N -2 0 312.303 1.572 20 0 DDADRL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC001260221698 899095958 /nfs/dbraw/zinc/09/59/58/899095958.db2.gz OTQZUMIATAWBDX-UHFFFAOYSA-N -2 0 308.315 1.595 20 0 DDADRL Cc1cnc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c(C)c1 ZINC001260393239 899135032 /nfs/dbraw/zinc/13/50/32/899135032.db2.gz CXMXJKSNDRGCFC-UHFFFAOYSA-N -2 0 322.342 1.903 20 0 DDADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1 ZINC000078938704 185131874 /nfs/dbraw/zinc/13/18/74/185131874.db2.gz FUAABPLJRWMJNU-UHFFFAOYSA-N -2 0 309.347 1.573 20 0 DDADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]Cc1cc(C(=O)[O-])co1 ZINC000277065004 539280316 /nfs/dbraw/zinc/28/03/16/539280316.db2.gz IEUXPJFPHGKVHU-RXMQYKEDSA-N -2 0 301.242 1.348 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccnn2C)c(C(=O)[O-])cc1C ZINC000358495659 299173065 /nfs/dbraw/zinc/17/30/65/299173065.db2.gz PMJPUHYIAGUGSL-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL CC[C@@H](C)C(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000055617578 352739703 /nfs/dbraw/zinc/73/97/03/352739703.db2.gz KEUSOIQUAFPSNI-MRVPVSSYSA-N -2 0 314.363 1.049 20 0 DDADRL COC(=O)c1ccc(=NC[C@](C)(C(=O)[O-])c2ccccc2)[n-]n1 ZINC000593326112 355854670 /nfs/dbraw/zinc/85/46/70/355854670.db2.gz CSSUPQNEEYMRHQ-INIZCTEOSA-N -2 0 315.329 1.140 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2cccc(O)c2)cc1C(=O)[O-] ZINC000040495298 183081029 /nfs/dbraw/zinc/08/10/29/183081029.db2.gz ZBZSBDUGOIFZOL-UHFFFAOYSA-N -2 0 310.331 1.713 20 0 DDADRL COc1cncc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c1 ZINC000337185089 249381099 /nfs/dbraw/zinc/38/10/99/249381099.db2.gz OBTUDMDJAFHWEL-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000231657546 163350154 /nfs/dbraw/zinc/35/01/54/163350154.db2.gz PLPFMFOQYZIMAW-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL CC(C)Cc1ncc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1 ZINC000355883513 410718992 /nfs/dbraw/zinc/71/89/92/410718992.db2.gz PGXLMHWQVJXCTM-UHFFFAOYSA-N -2 0 324.362 1.502 20 0 DDADRL CCn1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)n1 ZINC000312493038 418591776 /nfs/dbraw/zinc/59/17/76/418591776.db2.gz YOVQPLVXGWJTPN-UHFFFAOYSA-N -2 0 315.376 1.772 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cn1 ZINC000436885644 420379888 /nfs/dbraw/zinc/37/98/88/420379888.db2.gz IFKAJKGUCSFXMO-UHFFFAOYSA-N -2 0 308.315 1.595 20 0 DDADRL O=C([O-])[C@H]1CCCN(C(=O)N=c2[n-]nc(C(F)F)s2)C1 ZINC000630564391 422182070 /nfs/dbraw/zinc/18/20/70/422182070.db2.gz YSENTDOPERBHEH-YFKPBYRVSA-N -2 0 306.294 1.226 20 0 DDADRL C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000653318420 423439290 /nfs/dbraw/zinc/43/92/90/423439290.db2.gz JNEGSYYGDRSDAU-SVGQVSJJSA-N -2 0 303.236 1.887 20 0 DDADRL C[C@@](CNC(=O)CCCCC(=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000655556893 424563820 /nfs/dbraw/zinc/56/38/20/424563820.db2.gz PYHAQGZTFFNWBE-INIZCTEOSA-N -2 0 307.346 1.790 20 0 DDADRL CC(C)[C@@H](CNC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)C(=O)[O-] ZINC000655896730 424691795 /nfs/dbraw/zinc/69/17/95/424691795.db2.gz ODOFTBJZGFTBDQ-GMTAPVOTSA-N -2 0 300.355 1.095 20 0 DDADRL O=C([O-])c1csc(S(=O)(=O)NCC[C@@H]2CCCOC2)c1 ZINC000530152757 303176646 /nfs/dbraw/zinc/17/66/46/303176646.db2.gz SYOKKSMMFHRGTA-VIFPVBQESA-N -2 0 319.404 1.541 20 0 DDADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccn(C)n1 ZINC000531434581 307616676 /nfs/dbraw/zinc/61/66/76/307616676.db2.gz PYCZBKHMIVZLCW-UHFFFAOYSA-N -2 0 309.347 1.482 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1F ZINC000536992485 307668335 /nfs/dbraw/zinc/66/83/35/307668335.db2.gz JCYDBNRVDITJSC-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL O=C([O-])c1ccc(CCN=c2[n-]c(C3CCOCC3)no2)cc1 ZINC000578135112 308440278 /nfs/dbraw/zinc/44/02/78/308440278.db2.gz RLFZVAJEWHGQBM-UHFFFAOYSA-N -2 0 317.345 1.738 20 0 DDADRL O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C(=O)[O-])C1CC1 ZINC000663025866 484609102 /nfs/dbraw/zinc/60/91/02/484609102.db2.gz LUULNOCPRLSYBD-DZGCQCFKSA-N -2 0 319.357 1.690 20 0 DDADRL O=C([O-])COc1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)cc1 ZINC000663159337 484711433 /nfs/dbraw/zinc/71/14/33/484711433.db2.gz XFGCWOOIGVJJPO-CYBMUJFWSA-N -2 0 321.329 1.381 20 0 DDADRL O=C([O-])COc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCC2)cc1 ZINC000663159338 484711995 /nfs/dbraw/zinc/71/19/95/484711995.db2.gz XFGCWOOIGVJJPO-ZDUSSCGKSA-N -2 0 321.329 1.381 20 0 DDADRL O=C([O-])Cn1cc(/C=C/c2nc3c(cccc3C(=O)[O-])o2)nn1 ZINC000439277331 534509971 /nfs/dbraw/zinc/50/99/71/534509971.db2.gz QMZPOEDGHOANPA-SNAWJCMRSA-N -2 0 314.257 1.373 20 0 DDADRL CCC(CC)(CNC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1)C(=O)[O-] ZINC000424421867 528672881 /nfs/dbraw/zinc/67/28/81/528672881.db2.gz DTLAPOVEHPWKPP-WDEREUQCSA-N -2 0 314.382 1.630 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)C[C@@]2(C(=O)[O-])CCSC2)c1 ZINC000821374888 598181511 /nfs/dbraw/zinc/18/15/11/598181511.db2.gz YLCFFUNUDNVHQH-HNNXBMFYSA-N -2 0 323.370 1.599 20 0 DDADRL Cc1ccc(/C=C/S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1 ZINC000738582950 599739341 /nfs/dbraw/zinc/73/93/41/599739341.db2.gz MYUITKGENQVGNH-VQHVLOKHSA-N -2 0 321.358 1.689 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c(C)s1 ZINC000738477792 599739411 /nfs/dbraw/zinc/73/94/11/599739411.db2.gz FSOKXLGHCYMOPF-UHFFFAOYSA-N -2 0 315.376 1.447 20 0 DDADRL O=C([O-])CSCCC(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000739845037 599800974 /nfs/dbraw/zinc/80/09/74/599800974.db2.gz BMUWZLXUKSAGIZ-UHFFFAOYSA-N -2 0 323.436 1.221 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])s2)cn1 ZINC000737302899 600094183 /nfs/dbraw/zinc/09/41/83/600094183.db2.gz LVVLRWJOXGSRMH-UHFFFAOYSA-N -2 0 315.376 1.772 20 0 DDADRL CC[C@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736929154 600465158 /nfs/dbraw/zinc/46/51/58/600465158.db2.gz XRENJFUPUMZTAS-NSHDSACASA-N -2 0 321.395 1.035 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC000739037514 600889267 /nfs/dbraw/zinc/88/92/67/600889267.db2.gz TUGQWVNZTHMYGD-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL CCn1nc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c1C ZINC000830440881 600982699 /nfs/dbraw/zinc/98/26/99/600982699.db2.gz JVIAQLBGEANKSW-UHFFFAOYSA-N -2 0 324.362 1.414 20 0 DDADRL COCc1csc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1 ZINC000831821642 600982989 /nfs/dbraw/zinc/98/29/89/600982989.db2.gz CIZBBTMBWVFLBQ-UHFFFAOYSA-N -2 0 317.348 1.117 20 0 DDADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC23CCCC3)c1 ZINC000833333410 601302888 /nfs/dbraw/zinc/30/28/88/601302888.db2.gz MFOPRXCEXLUYMP-LBPRGKRZSA-N -2 0 323.370 1.770 20 0 DDADRL Cc1cc(F)cc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c1 ZINC000832888607 601330523 /nfs/dbraw/zinc/33/05/23/601330523.db2.gz YNUGAOALSBTZNJ-UHFFFAOYSA-N -2 0 313.310 1.216 20 0 DDADRL Cc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)s1 ZINC000123514919 601502028 /nfs/dbraw/zinc/50/20/28/601502028.db2.gz BWJOPAXSFZJSTA-UHFFFAOYSA-N -2 0 305.362 1.407 20 0 DDADRL CC(C)(CNC(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC000826602090 601818767 /nfs/dbraw/zinc/81/87/67/601818767.db2.gz MMAGOCRAUWNHTA-UHFFFAOYSA-N -2 0 316.151 1.995 20 0 DDADRL Cc1c(C(=O)[O-])sc2nc(C)nc(NCc3n[nH]c(=O)[n-]3)c12 ZINC000833003142 601931298 /nfs/dbraw/zinc/93/12/98/601931298.db2.gz ODQTWAPPCDJHKU-UHFFFAOYSA-N -2 0 320.334 1.442 20 0 DDADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000827304480 602179083 /nfs/dbraw/zinc/17/90/83/602179083.db2.gz VYLCVUNKUFFPOF-VIFPVBQESA-N -2 0 311.359 1.091 20 0 DDADRL Cc1noc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1C ZINC000833022376 602211652 /nfs/dbraw/zinc/21/16/52/602211652.db2.gz KBDYCLAJKPTHMQ-UHFFFAOYSA-N -2 0 300.292 1.692 20 0 DDADRL O=C([O-])N1CC[C@@H](CCNC(=O)c2c([O-])cc(F)cc2F)C1 ZINC000740425572 602461581 /nfs/dbraw/zinc/46/15/81/602461581.db2.gz DXVUYBXGUBHWQG-MRVPVSSYSA-N -2 0 314.288 1.790 20 0 DDADRL O=C([O-])N1CCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000740520773 602593366 /nfs/dbraw/zinc/59/33/66/602593366.db2.gz NCYCFZHZBKGETD-MRVPVSSYSA-N -2 0 320.317 1.386 20 0 DDADRL O=C([O-])NC1(C(=O)[N-]O[C@@H]2CCCCO2)Cc2ccccc2C1 ZINC000740541604 603126367 /nfs/dbraw/zinc/12/63/67/603126367.db2.gz LLNIHYWAQPPSIP-CYBMUJFWSA-N -2 0 320.345 1.366 20 0 DDADRL Cc1cccc(S(=O)(=O)[N-]C(=O)C(C)(C)CNC(=O)[O-])c1 ZINC000830526600 603784695 /nfs/dbraw/zinc/78/46/95/603784695.db2.gz BIOOPZZFNTYCDD-UHFFFAOYSA-N -2 0 314.363 1.094 20 0 DDADRL CS/C=C/C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000832747635 604936709 /nfs/dbraw/zinc/93/67/09/604936709.db2.gz FGSJXRNIKYYGNU-ONEGZZNKSA-N -2 0 307.374 1.128 20 0 DDADRL C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)[N-]OCC(F)(F)F ZINC000826116384 605138331 /nfs/dbraw/zinc/13/83/31/605138331.db2.gz SDXRWOCVRRLNFG-NTSWFWBYSA-N -2 0 300.233 1.100 20 0 DDADRL COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)c1 ZINC000833733997 605165434 /nfs/dbraw/zinc/16/54/34/605165434.db2.gz YJOODNSMJVDORL-UHFFFAOYSA-N -2 0 324.314 1.295 20 0 DDADRL O=C([O-])N1CCO[C@H](CC(=O)Nc2cccc(Cl)c2[O-])C1 ZINC000831392305 605305209 /nfs/dbraw/zinc/30/52/09/605305209.db2.gz APHKAUOGBZSRKB-MRVPVSSYSA-N -2 0 314.725 1.753 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000834067242 605690061 /nfs/dbraw/zinc/69/00/61/605690061.db2.gz YCFRENQXEQKCRF-SNVBAGLBSA-N -2 0 322.317 1.479 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000834064662 605690065 /nfs/dbraw/zinc/69/00/65/605690065.db2.gz DMUWHUWPGSNECG-NSHDSACASA-N -2 0 308.290 1.231 20 0 DDADRL O=C([O-])N1CC(NC(=O)c2ccc(Br)c(O)c2)C1 ZINC000834020730 605930924 /nfs/dbraw/zinc/93/09/24/605930924.db2.gz XJPNDWDXPVKDKE-UHFFFAOYSA-N -2 0 315.123 1.247 20 0 DDADRL O=C([O-])N[C@@H](CNC(=O)c1cc(F)cc(Cl)c1[O-])C1CC1 ZINC000834146895 605996240 /nfs/dbraw/zinc/99/62/40/605996240.db2.gz KJIQQCQONDTOMK-JTQLQIEISA-N -2 0 316.716 1.961 20 0 DDADRL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000833988166 606029588 /nfs/dbraw/zinc/02/95/88/606029588.db2.gz OODLKMAPPGCUNR-CHWSQXEVSA-N -2 0 320.345 1.331 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@@H](C(=O)NCCc2ccc(C(=O)[O-])cc2)C1 ZINC000834168794 606031682 /nfs/dbraw/zinc/03/16/82/606031682.db2.gz ICUFLYUJTJDOBX-CHWSQXEVSA-N -2 0 320.345 1.480 20 0 DDADRL CN(C(=O)CC1CN(C(=O)[O-])C1)[C@H](C(=O)[O-])c1ccccc1 ZINC000833869203 606050766 /nfs/dbraw/zinc/05/07/66/606050766.db2.gz LSUUEWYFSWEBEC-ZDUSSCGKSA-N -2 0 306.318 1.271 20 0 DDADRL C[C@H](C(=O)[O-])N(C)C(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC000833792019 606051027 /nfs/dbraw/zinc/05/10/27/606051027.db2.gz XVTPICUAMCFYPJ-ZYHUDNBSSA-N -2 0 308.334 1.187 20 0 DDADRL O=C([O-])[C@@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)c1ccccc1F ZINC000834015228 606068156 /nfs/dbraw/zinc/06/81/56/606068156.db2.gz PABNSFXXBRNZHM-KCJUWKMLSA-N -2 0 310.281 1.068 20 0 DDADRL O=C([O-])NCCCC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000834229252 606114054 /nfs/dbraw/zinc/11/40/54/606114054.db2.gz BIOIRSJMGVMSOU-UHFFFAOYSA-N -2 0 306.318 1.317 20 0 DDADRL Cc1cc(C(=O)NOC2CCCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000779316616 698412587 /nfs/dbraw/zinc/41/25/87/698412587.db2.gz GORUEISTQGGICB-UHFFFAOYSA-N -2 0 318.333 1.739 20 0 DDADRL O=C([N-]C[C@H]1CCC[C@H]([N-]C(=O)C(F)(F)F)C1)C(F)(F)F ZINC000732161630 699548520 /nfs/dbraw/zinc/54/85/20/699548520.db2.gz HOGCXKTXGGTDTK-BQBZGAKWSA-N -2 0 320.233 1.902 20 0 DDADRL CSCCO[N-]C(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000817881686 702508248 /nfs/dbraw/zinc/50/82/48/702508248.db2.gz MRXZVACXJNUIRH-UHFFFAOYSA-N -2 0 312.347 1.043 20 0 DDADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000863952503 706045175 /nfs/dbraw/zinc/04/51/75/706045175.db2.gz ZBLALBAZMOLAPB-CYBMUJFWSA-N -2 0 315.322 1.132 20 0 DDADRL Cc1cc(S(=O)(=O)NCC[C@H]2CCCS2)oc1C(=O)[O-] ZINC000871997338 707275020 /nfs/dbraw/zinc/27/50/20/707275020.db2.gz OXNPRDAYZDRXDY-SECBINFHSA-N -2 0 319.404 1.850 20 0 DDADRL C[C@H](CC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])C(F)(F)F ZINC000910182931 709800759 /nfs/dbraw/zinc/80/07/59/709800759.db2.gz JYJQKXYUFXKKIE-BWZBUEFSSA-N -2 0 311.256 1.351 20 0 DDADRL CC1(C)CCC(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])CC1 ZINC000910184338 709801412 /nfs/dbraw/zinc/80/14/12/709801412.db2.gz PJIJAPHHZQMCPK-VXGBXAGGSA-N -2 0 311.378 1.979 20 0 DDADRL CC[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000910186425 709802399 /nfs/dbraw/zinc/80/23/99/709802399.db2.gz QTWKQMWMXZOXLX-MELADBBJSA-N -2 0 319.357 1.957 20 0 DDADRL Cc1ccccc1CCC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910189186 709804126 /nfs/dbraw/zinc/80/41/26/709804126.db2.gz QYHYJTCHXKRONW-UONOGXRCSA-N -2 0 319.357 1.704 20 0 DDADRL C[C@@H]1CN(C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)CC[C@@H]1C(=O)[O-] ZINC000902182613 710652245 /nfs/dbraw/zinc/65/22/45/710652245.db2.gz ZYHVFDFOBGDZNL-ZJUUUORDSA-N -2 0 311.378 1.693 20 0 DDADRL Cc1ccc(/C=C\S(=O)(=O)[N-]CC(F)(F)C(=O)[O-])cc1 ZINC000906000080 712216679 /nfs/dbraw/zinc/21/66/79/712216679.db2.gz TVOHKCNSBGSVJJ-SREVYHEPSA-N -2 0 305.302 1.605 20 0 DDADRL C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C[C@@H]1F ZINC000906921030 712439391 /nfs/dbraw/zinc/43/93/91/712439391.db2.gz UBTFBOHAXOSOKD-SCZZXKLOSA-N -2 0 317.338 1.459 20 0 DDADRL O=C([O-])[C@@]1(C(=O)[N-]OCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000907850070 712635681 /nfs/dbraw/zinc/63/56/81/712635681.db2.gz KVPMHWDEVXGIBR-SKDRFNHKSA-N -2 0 303.236 1.855 20 0 DDADRL O=C(CCCCCCCCCO)NCCOP(=O)([O-])[O-] ZINC001181415923 743182875 /nfs/dbraw/zinc/18/28/75/743182875.db2.gz MVNUXOCBLFEAGT-UHFFFAOYSA-N -2 0 311.315 1.325 20 0 DDADRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(C)n1 ZINC001185875407 744298203 /nfs/dbraw/zinc/29/82/03/744298203.db2.gz ASDJPWYTDOASDY-UHFFFAOYSA-N -2 0 321.358 1.901 20 0 DDADRL CC(C)OCCNC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189860238 745003388 /nfs/dbraw/zinc/00/33/88/745003388.db2.gz CLONMQUTZTYYMN-UHFFFAOYSA-N -2 0 303.251 1.313 20 0 DDADRL CCCN(CCOC)C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189861543 745004192 /nfs/dbraw/zinc/00/41/92/745004192.db2.gz UYVWXTPXNRSIMI-UHFFFAOYSA-N -2 0 317.278 1.657 20 0 DDADRL Cc1ccnnc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192685481 745861859 /nfs/dbraw/zinc/86/18/59/745861859.db2.gz PAARWGKJVOPPFY-UHFFFAOYSA-N -2 0 323.330 1.049 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cccc(OC2CCC2)c1 ZINC001193197633 746009335 /nfs/dbraw/zinc/00/93/35/746009335.db2.gz SYOKMVMPZAGHMJ-UHFFFAOYSA-N -2 0 315.262 1.457 20 0 DDADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnn(C(F)F)c1 ZINC001198751274 747598846 /nfs/dbraw/zinc/59/88/46/747598846.db2.gz XDIOIMPHFVDLRA-UHFFFAOYSA-N -2 0 317.273 1.777 20 0 DDADRL O=P([O-])([O-])OCCNc1ccc(-c2csnn2)cc1 ZINC001168591900 751221205 /nfs/dbraw/zinc/22/12/05/751221205.db2.gz HSYRUFXURKQFKX-UHFFFAOYSA-N -2 0 301.264 1.726 20 0 DDADRL NC(=O)c1cc(O)cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176244758 778093477 /nfs/dbraw/zinc/09/34/77/778093477.db2.gz YUHQJUHIBBVDHK-UHFFFAOYSA-N -2 0 316.269 1.631 20 0 DDADRL C[C@@H]([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])c1ncc(F)cn1 ZINC001180176507 779636135 /nfs/dbraw/zinc/63/61/35/779636135.db2.gz DBZXNLBYXRHMMS-SCSAIBSYSA-N -2 0 313.182 1.148 20 0 DDADRL CCN(CC)C(=O)[C@H](C)Nc1ccc(P(=O)([O-])[O-])cc1 ZINC001164656829 869342869 /nfs/dbraw/zinc/34/28/69/869342869.db2.gz QDPUIZIUPXXWFV-JTQLQIEISA-N -2 0 300.295 1.158 20 0 DDADRL CN(Cc1nc(=O)o[n-]1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC001364100952 887921364 /nfs/dbraw/zinc/92/13/64/887921364.db2.gz DZIWFLLYUYEQIS-UHFFFAOYSA-N -2 0 301.661 1.133 20 0 DDADRL Cc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(C)c1Cl ZINC001234946668 888265479 /nfs/dbraw/zinc/26/54/79/888265479.db2.gz YXVQDZGGNQUHJN-MRVPVSSYSA-N -2 0 324.653 1.332 20 0 DDADRL NS(=O)(=O)c1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cc1 ZINC001240157660 890819201 /nfs/dbraw/zinc/81/92/01/890819201.db2.gz VZWIIWYJLKEXDA-UHFFFAOYSA-N -2 0 321.310 1.397 20 0 DDADRL COC(=O)c1ccncc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242161068 891355765 /nfs/dbraw/zinc/35/57/65/891355765.db2.gz PSCXUHCQWABPLK-UHFFFAOYSA-N -2 0 301.254 1.932 20 0 DDADRL CCc1[nH]nc2ncc(-c3ccc(P(=O)([O-])[O-])cc3)cc12 ZINC001242824546 891521821 /nfs/dbraw/zinc/52/18/21/891521821.db2.gz JHNKKDFYCXFZDV-UHFFFAOYSA-N -2 0 303.258 1.990 20 0 DDADRL COCNC(=O)c1cccc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001245118840 892005238 /nfs/dbraw/zinc/00/52/38/892005238.db2.gz GSDQQRLQVHYPQA-UHFFFAOYSA-N -2 0 321.269 1.490 20 0 DDADRL C[C@@H]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C[C@@H]1C(=O)[O-] ZINC000564925803 304027036 /nfs/dbraw/zinc/02/70/36/304027036.db2.gz UFHGDDFGZRGKBM-ZJUUUORDSA-N -2 0 300.355 1.240 20 0 DDADRL CCc1ccccc1-n1cc([O-])c(C(=O)N(C)[C@@H](C)C(=O)[O-])n1 ZINC000564968305 304031284 /nfs/dbraw/zinc/03/12/84/304031284.db2.gz WUFPDXBZKBJDRF-JTQLQIEISA-N -2 0 317.345 1.685 20 0 DDADRL COc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000148777993 354170841 /nfs/dbraw/zinc/17/08/41/354170841.db2.gz DDEGQHYVUMUJNH-UHFFFAOYSA-N -2 0 323.326 1.900 20 0 DDADRL N#Cc1ccc(S(=O)(=O)NC[C@@H](CC2CC2)C(=O)[O-])s1 ZINC000405414167 354678764 /nfs/dbraw/zinc/67/87/64/354678764.db2.gz VQHCYHNIJZMFDZ-SECBINFHSA-N -2 0 314.388 1.399 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)c[nH]1 ZINC000590695971 355150353 /nfs/dbraw/zinc/15/03/53/355150353.db2.gz MBFDMQPTDLWHDZ-UHFFFAOYSA-N -2 0 308.319 1.181 20 0 DDADRL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000275305278 212262288 /nfs/dbraw/zinc/26/22/88/212262288.db2.gz QVJHNJBAPIWWFW-ZETCQYMHSA-N -2 0 315.244 1.352 20 0 DDADRL C[C@H]1CN(C(=O)NCc2ccc(C(=O)[O-])cc2)CC[C@H]1C(=O)[O-] ZINC000626766776 367733906 /nfs/dbraw/zinc/73/39/06/367733906.db2.gz QSQHNLOAXDZDKW-GXFFZTMASA-N -2 0 320.345 1.637 20 0 DDADRL CS(=O)(=O)[N-]c1ccccc1C(=O)NCCCCC(=O)[O-] ZINC000262429335 203292010 /nfs/dbraw/zinc/29/20/10/203292010.db2.gz STSGCWDHLPWFSF-UHFFFAOYSA-N -2 0 314.363 1.043 20 0 DDADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1O ZINC000360618728 299706514 /nfs/dbraw/zinc/70/65/14/299706514.db2.gz JOYBNZKYWLFFGM-UHFFFAOYSA-N -2 0 315.278 1.932 20 0 DDADRL O=C([O-])C1CCC([N-]S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000037561677 406990759 /nfs/dbraw/zinc/99/07/59/406990759.db2.gz QPCHKOUKCDTBPU-UHFFFAOYSA-N -2 0 319.329 1.887 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000048807546 407108106 /nfs/dbraw/zinc/10/81/06/407108106.db2.gz FDHAOYPCJZWONK-UHFFFAOYSA-N -2 0 315.738 1.871 20 0 DDADRL Cn1nccc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000134889966 162090731 /nfs/dbraw/zinc/09/07/31/162090731.db2.gz HBKUBXAWCOLTKJ-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1)C(=O)[O-] ZINC000184658711 408663216 /nfs/dbraw/zinc/66/32/16/408663216.db2.gz FJEUKFORYLWHIC-VIFPVBQESA-N -2 0 309.347 1.474 20 0 DDADRL CC[C@@H](C)CO[N-]C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000293858063 409195374 /nfs/dbraw/zinc/19/53/74/409195374.db2.gz XOVVSBBHFSBDHU-SNVBAGLBSA-N -2 0 321.402 1.779 20 0 DDADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(C)c(C)cc1C(=O)[O-] ZINC000285076180 409398018 /nfs/dbraw/zinc/39/80/18/409398018.db2.gz KJVUFWBWUKWDGB-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)cc1C(=O)[O-] ZINC000348867125 409562452 /nfs/dbraw/zinc/56/24/52/409562452.db2.gz PKNDFPMAWBAWPO-UHFFFAOYSA-N -2 0 314.294 1.369 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1 ZINC000361777491 307006223 /nfs/dbraw/zinc/00/62/23/307006223.db2.gz VCSUIKRXMGEIPG-UHFFFAOYSA-N -2 0 317.273 1.777 20 0 DDADRL CCOc1ccncc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000436481023 420331591 /nfs/dbraw/zinc/33/15/91/420331591.db2.gz ZHIRTTVFTIBXLW-UHFFFAOYSA-N -2 0 322.342 1.979 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CC1(CC(=O)[O-])CCC1 ZINC000548264267 421415628 /nfs/dbraw/zinc/41/56/28/421415628.db2.gz ZYHRMBADNHRBBT-ZETCQYMHSA-N -2 0 303.302 1.502 20 0 DDADRL CC(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000563068556 421449901 /nfs/dbraw/zinc/44/99/01/421449901.db2.gz OASGGPNRRBYVNQ-CABZTGNLSA-N -2 0 317.363 1.317 20 0 DDADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1C ZINC000554430156 421640560 /nfs/dbraw/zinc/64/05/60/421640560.db2.gz GNZKMSDBJBEQPO-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccoc2)cc1C(=O)[O-] ZINC000556774254 421735649 /nfs/dbraw/zinc/73/56/49/421735649.db2.gz XOKOJLPZFKJOBK-UHFFFAOYSA-N -3 0 311.271 1.477 20 0 DDADRL C[C@H]1CCN(C(=O)N=c2ncn(C(C)(C)C)[n-]2)C[C@@H]1C(=O)[O-] ZINC000522002322 421811850 /nfs/dbraw/zinc/81/18/50/421811850.db2.gz SKGGHMFABWFRRA-UWVGGRQHSA-N -2 0 309.370 1.030 20 0 DDADRL O=C([O-])c1cc(N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)ccn1 ZINC000650773122 423256186 /nfs/dbraw/zinc/25/61/86/423256186.db2.gz NMUVCXJZCOTYND-HTQZYQBOSA-N -2 0 304.224 1.479 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000646162092 423374720 /nfs/dbraw/zinc/37/47/20/423374720.db2.gz KRTJFBWLVRZKTC-NEPJUHHUSA-N -2 0 306.318 1.437 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000653323947 423440053 /nfs/dbraw/zinc/44/00/53/423440053.db2.gz AWAKMTYHBGDARB-WBMJQRKESA-N -2 0 307.346 1.502 20 0 DDADRL CC(C)[C@H](CNC(=O)N=c1[n-]nc(C(F)F)s1)C(=O)[O-] ZINC000653536956 423517274 /nfs/dbraw/zinc/51/72/74/423517274.db2.gz NIAVHNPWYMNWPB-YFKPBYRVSA-N -2 0 308.310 1.376 20 0 DDADRL CO[C@H](CS(=O)(=O)[N-]c1cc(F)cc(F)c1[O-])C1CC1 ZINC000641692507 423875236 /nfs/dbraw/zinc/87/52/36/423875236.db2.gz OBKIPARQJDDDOQ-LLVKDONJSA-N -2 0 307.318 1.837 20 0 DDADRL CC(C)C[C@H](CNC(=O)N1CCC(C(=O)[O-])CC1)CC(=O)[O-] ZINC000659416213 423819704 /nfs/dbraw/zinc/81/97/04/423819704.db2.gz WJCCTBDTPVCGCJ-NSHDSACASA-N -2 0 314.382 1.630 20 0 DDADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000263159016 300473000 /nfs/dbraw/zinc/47/30/00/300473000.db2.gz FZIAWIKJSIROEC-BQBZGAKWSA-N -2 0 317.263 1.992 20 0 DDADRL CN(c1cccc(O)c1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000531195649 303234471 /nfs/dbraw/zinc/23/44/71/303234471.db2.gz DOPKOBMIUTWQEP-UHFFFAOYSA-N -2 0 323.326 1.621 20 0 DDADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000548209947 307760006 /nfs/dbraw/zinc/76/00/06/307760006.db2.gz UTHRNXBCZXTSMZ-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL O=C([O-])c1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cc1 ZINC000567501721 308082479 /nfs/dbraw/zinc/08/24/79/308082479.db2.gz DRXHTILEEHJWJD-LLVKDONJSA-N -2 0 316.317 1.228 20 0 DDADRL O=C([O-])CN(C(=O)c1cccc(C(=O)[O-])c1)C1CCOCC1 ZINC000576160347 308293074 /nfs/dbraw/zinc/29/30/74/308293074.db2.gz BLSOLKGNGIYMOR-UHFFFAOYSA-N -2 0 307.302 1.091 20 0 DDADRL CCN(C(=O)c1nn(-c2ccccc2)cc1[O-])[C@@H](C)C(=O)[O-] ZINC000663124494 484686967 /nfs/dbraw/zinc/68/69/67/484686967.db2.gz PIBINPUSOXCKBY-JTQLQIEISA-N -2 0 303.318 1.513 20 0 DDADRL O=C(NC1(c2nnn[n-]2)CCCC1)c1cc(F)c([O-])c(F)c1 ZINC000680816554 486270982 /nfs/dbraw/zinc/27/09/82/486270982.db2.gz DPUBTUYADYDUQH-UHFFFAOYSA-N -2 0 309.276 1.383 20 0 DDADRL CC(C)C[C@H](CNC(=O)N=c1ncn(C(C)(C)C)[n-]1)C(=O)[O-] ZINC000424377911 528525744 /nfs/dbraw/zinc/52/57/44/528525744.db2.gz FHDPCPQKOWCDMI-SNVBAGLBSA-N -2 0 311.386 1.323 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)C[C@]2(C(=O)[O-])CCSC2)c1 ZINC000821374890 598181576 /nfs/dbraw/zinc/18/15/76/598181576.db2.gz YLCFFUNUDNVHQH-OAHLLOKOSA-N -2 0 323.370 1.599 20 0 DDADRL Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000315927820 599736705 /nfs/dbraw/zinc/73/67/05/599736705.db2.gz UZVLRLICKRSQID-UHFFFAOYSA-N -2 0 324.314 1.186 20 0 DDADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-])s1 ZINC000738652630 599911034 /nfs/dbraw/zinc/91/10/34/599911034.db2.gz PJLJVIRNGFDQFZ-UHFFFAOYSA-N -2 0 320.392 1.251 20 0 DDADRL CSC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000738188121 599982888 /nfs/dbraw/zinc/98/28/88/599982888.db2.gz BBGSYDOAJQOLKS-LURJTMIESA-N -2 0 323.417 1.250 20 0 DDADRL O=C([O-])CCCCNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000739670676 600175484 /nfs/dbraw/zinc/17/54/84/600175484.db2.gz AMLGOWVWOALEQO-UHFFFAOYSA-N -2 0 305.290 1.015 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])n(C)n1 ZINC000737251316 600246779 /nfs/dbraw/zinc/24/67/79/600246779.db2.gz DJTPZCXJRDAJCT-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL C[C@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccccc1 ZINC000736547364 600462106 /nfs/dbraw/zinc/46/21/06/600462106.db2.gz ACPIWEVSXJAVIW-LLVKDONJSA-N -2 0 313.375 1.491 20 0 DDADRL O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)c2cn[nH]c2)c1 ZINC000166559398 600635766 /nfs/dbraw/zinc/63/57/66/600635766.db2.gz BERQFCSMBKENFJ-UHFFFAOYSA-N -2 0 301.711 1.562 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n(C)n1 ZINC000021817888 600827115 /nfs/dbraw/zinc/82/71/15/600827115.db2.gz DYJDEYJHEUQUJO-UHFFFAOYSA-N -2 0 309.347 1.536 20 0 DDADRL O=C(/C=C\C1CC1)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833092965 600938455 /nfs/dbraw/zinc/93/84/55/600938455.db2.gz QAHBQNPOAQTMPI-ARJAWSKDSA-N -2 0 301.345 1.217 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc3ccccn32)cs1 ZINC000833306410 600979916 /nfs/dbraw/zinc/97/99/16/600979916.db2.gz QXQBSBYDYQEHKC-UHFFFAOYSA-N -2 0 324.343 1.290 20 0 DDADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000205010609 601333393 /nfs/dbraw/zinc/33/33/93/601333393.db2.gz UMNVMMSYRACRPG-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL O=C([O-])C[C@@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C1CC1 ZINC000833199142 601563796 /nfs/dbraw/zinc/56/37/96/601563796.db2.gz QFVRJGJMDJZRSJ-LLVKDONJSA-N -2 0 317.301 1.013 20 0 DDADRL CCn1nccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000830451646 601847531 /nfs/dbraw/zinc/84/75/31/601847531.db2.gz MEHXWQSICMMCTF-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL CC(C)C[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)CC(C)(C)C ZINC000736415455 602748020 /nfs/dbraw/zinc/74/80/20/602748020.db2.gz KFNHIEJREYGVPD-SECBINFHSA-N -2 0 308.400 1.161 20 0 DDADRL CC(C)CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000824245918 603441216 /nfs/dbraw/zinc/44/12/16/603441216.db2.gz YFURQOFKBDDIIE-MNOVXSKESA-N -2 0 320.411 1.305 20 0 DDADRL COCCN(CCC(=O)[O-])C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000831725183 604288536 /nfs/dbraw/zinc/28/85/36/604288536.db2.gz QZGJFVFNNYHBMU-UHFFFAOYSA-N -2 0 319.716 1.748 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cc(C)cnc2N)c(C(=O)[O-])[nH]1 ZINC000833753866 605201599 /nfs/dbraw/zinc/20/15/99/605201599.db2.gz HZIQYJWYPWVJBC-UHFFFAOYSA-N -2 0 310.335 1.108 20 0 DDADRL O=C([O-])N[C@H](CC(=O)N[C@@H](CC1CC1)C(=O)[O-])c1ccccc1 ZINC000834122424 605306784 /nfs/dbraw/zinc/30/67/84/605306784.db2.gz LLVFLXIYFJVYPO-OLZOCXBDSA-N -2 0 320.345 1.755 20 0 DDADRL O=C([O-])C[C@H](NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1ccccc1 ZINC000834061751 606030410 /nfs/dbraw/zinc/03/04/10/606030410.db2.gz ZHEATHFDCZCOQN-XQQFMLRXSA-N -2 0 320.345 1.755 20 0 DDADRL O=C([O-])NCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)o1 ZINC000834246371 606048774 /nfs/dbraw/zinc/04/87/74/606048774.db2.gz MGSHFYNAXQCECO-LBPRGKRZSA-N -2 0 318.285 1.603 20 0 DDADRL CN(C(=O)C[C@@H]1CCCN1C(=O)[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000833868546 606050853 /nfs/dbraw/zinc/05/08/53/606050853.db2.gz CRRPQYYLZQUBEU-GXTWGEPZSA-N -2 0 320.345 1.803 20 0 DDADRL O=C([O-])COc1cccc(NC(=O)[C@H]2CCCN2C(=O)[O-])c1 ZINC000834066293 606057084 /nfs/dbraw/zinc/05/70/84/606057084.db2.gz RYEQRWMEQXRIBJ-LLVKDONJSA-N -2 0 308.290 1.231 20 0 DDADRL CC(C)C[C@@H](CNC(=O)[C@@H]1CCCCN1C(=O)[O-])C(=O)[O-] ZINC000833796788 606064622 /nfs/dbraw/zinc/06/46/22/606064622.db2.gz ZQSGFXUAFKAQGX-QWRGUYRKSA-N -2 0 300.355 1.382 20 0 DDADRL CCc1ccccc1-n1cc([O-])c(C(=O)[N-]N2CCCC2=O)n1 ZINC000780700048 698550531 /nfs/dbraw/zinc/55/05/31/698550531.db2.gz OWXUKYPAMXQUIK-UHFFFAOYSA-N -2 0 314.345 1.408 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnoc2)cc(Cl)c1F ZINC000767733000 701132655 /nfs/dbraw/zinc/13/26/55/701132655.db2.gz MUEXVXGWSIVHFI-UHFFFAOYSA-N -2 0 320.685 1.966 20 0 DDADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1ccc(-c2ccccc2F)o1 ZINC000816732406 702168298 /nfs/dbraw/zinc/16/82/98/702168298.db2.gz FNUAYNMBSGBDSI-UHFFFAOYSA-N -2 0 304.237 1.472 20 0 DDADRL CCCO[N-]C(=O)C(C)(C)OC(C)(C)C(=O)[N-]OCCC ZINC000844090170 702970544 /nfs/dbraw/zinc/97/05/44/702970544.db2.gz GNINCMYBXBWLMK-UHFFFAOYSA-N -2 0 304.387 1.476 20 0 DDADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)CC2CCCCC2)CC=CC1 ZINC000863954248 706045337 /nfs/dbraw/zinc/04/53/37/706045337.db2.gz STBBHXRTAWMCOK-UHFFFAOYSA-N -2 0 315.391 1.434 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000863954596 706045886 /nfs/dbraw/zinc/04/58/86/706045886.db2.gz GNWOIYFSGOHDRK-NXEZZACHSA-N -2 0 307.412 1.616 20 0 DDADRL CCOc1ccccc1S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-] ZINC000863957331 706046133 /nfs/dbraw/zinc/04/61/33/706046133.db2.gz MZGSOCJUMMSDRK-UHFFFAOYSA-N -2 0 315.347 1.001 20 0 DDADRL Cc1cc(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])cc(C)c1F ZINC000863959341 706046720 /nfs/dbraw/zinc/04/67/20/706046720.db2.gz AUNZKGIYEVSRMG-UHFFFAOYSA-N -2 0 317.338 1.358 20 0 DDADRL Cc1ccsc1S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000863961015 706047093 /nfs/dbraw/zinc/04/70/93/706047093.db2.gz DDEYZENXJUFUFP-QMMMGPOBSA-N -2 0 319.404 1.608 20 0 DDADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)CCC1CCCC1)C1CC1 ZINC000863963034 706047566 /nfs/dbraw/zinc/04/75/66/706047566.db2.gz HAHDORIZYSXACW-NSHDSACASA-N -2 0 303.380 1.124 20 0 DDADRL CCc1ncc(S(=O)(=O)N[C@@](C)(CC(=O)[O-])C2CC2)s1 ZINC000871996946 707274908 /nfs/dbraw/zinc/27/49/08/707274908.db2.gz NMRUGDOQGMPXAQ-LBPRGKRZSA-N -2 0 318.420 1.627 20 0 DDADRL O=C([O-])c1cccc(C(=O)n2[n-]c([C@@H]3CCOC3)cc2=O)c1 ZINC000871962734 707257267 /nfs/dbraw/zinc/25/72/67/707257267.db2.gz HVPXQLRGUQEBNW-LLVKDONJSA-N -2 0 302.286 1.150 20 0 DDADRL COC[C@](C)(CC(=O)[O-])NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000909376295 713003458 /nfs/dbraw/zinc/00/34/58/713003458.db2.gz KGZGDIQXZCFJRK-ZDUSSCGKSA-N -2 0 319.716 1.794 20 0 DDADRL O=C([O-])[C@H](NC(=O)c1ccc([O-])c(Cl)c1)[C@@H]1CCCOC1 ZINC000909544000 709508887 /nfs/dbraw/zinc/50/88/87/709508887.db2.gz HXGHYAADIBCQSK-BXKDBHETSA-N -2 0 313.737 1.655 20 0 DDADRL COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000909938580 709696427 /nfs/dbraw/zinc/69/64/27/709696427.db2.gz RLYLGWJQIQYXIY-CQSZACIVSA-N -2 0 313.737 1.751 20 0 DDADRL C/C(=C\C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1cccs1 ZINC000910183259 709800861 /nfs/dbraw/zinc/80/08/61/709800861.db2.gz LZOWHXCXYHRIDT-JKWVPGAPSA-N -2 0 323.370 1.928 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)C=C2CCSCC2)C1 ZINC000910184945 709801664 /nfs/dbraw/zinc/80/16/64/709801664.db2.gz SOCXHMAABDCOQL-MNOVXSKESA-N -2 0 313.375 1.216 20 0 DDADRL Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1F ZINC000910185410 709801848 /nfs/dbraw/zinc/80/18/48/709801848.db2.gz JDQBIASMXRJAPD-PWSUYJOCSA-N -2 0 309.293 1.524 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]2CCCCS2)C1 ZINC000910185842 709801870 /nfs/dbraw/zinc/80/18/70/709801870.db2.gz YXJYFQVWPHYVIT-UTLUCORTSA-N -2 0 301.364 1.049 20 0 DDADRL Cn1[n-]nnc1=NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000910422190 709933245 /nfs/dbraw/zinc/93/32/45/709933245.db2.gz LYVLFGXLXJKMLT-ZDUSSCGKSA-N -2 0 311.345 1.141 20 0 DDADRL O=S(=O)(N=S1(=O)CCCC1)[N-]c1ccc(F)cc1[O-] ZINC000905095562 711934686 /nfs/dbraw/zinc/93/46/86/711934686.db2.gz IUNZKZJOESPMDS-UHFFFAOYSA-N -2 0 308.356 1.450 20 0 DDADRL CS[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC000907005226 712461988 /nfs/dbraw/zinc/46/19/88/712461988.db2.gz MMLZMVYNEFSVSR-VIFPVBQESA-N -2 0 317.388 1.216 20 0 DDADRL CC[C@@H](C)N(CC)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000907028039 712468735 /nfs/dbraw/zinc/46/87/35/712468735.db2.gz CXBFLYUINDLGAI-SECBINFHSA-N -2 0 301.364 1.900 20 0 DDADRL CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C)C(=O)[O-] ZINC000917058630 713480040 /nfs/dbraw/zinc/48/00/40/713480040.db2.gz SOHSCSMBBJWOFK-SNVBAGLBSA-N -2 0 315.347 1.143 20 0 DDADRL N#C[N-]C(=O)[C@H](CC(=O)[O-])Sc1nc2ccccc2s1 ZINC001184737779 744094237 /nfs/dbraw/zinc/09/42/37/744094237.db2.gz IBAPWNGIKAOJAQ-VIFPVBQESA-N -2 0 307.356 1.829 20 0 DDADRL O=c1ccn(-c2ccc([N-]S(=O)(=O)c3c[nH]cn3)cc2)[n-]1 ZINC001187771502 744599019 /nfs/dbraw/zinc/59/90/19/744599019.db2.gz DWIJZLAPWRJKHX-UHFFFAOYSA-N -2 0 305.319 1.102 20 0 DDADRL O=c1cc(C[N-]S(=O)(=O)c2cc(F)cc(F)c2F)o[n-]1 ZINC001190411376 745211619 /nfs/dbraw/zinc/21/16/19/745211619.db2.gz TWQLLEZUYHKSMU-UHFFFAOYSA-N -2 0 308.237 1.276 20 0 DDADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccon2)c(Cl)cc1F ZINC001193964240 746242216 /nfs/dbraw/zinc/24/22/16/746242216.db2.gz CLMRGAPAMFDDCQ-UHFFFAOYSA-N -2 0 320.685 1.966 20 0 DDADRL Cn1cncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195195196 746547118 /nfs/dbraw/zinc/54/71/18/746547118.db2.gz SDMQOILCHFWVRN-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cc(Cl)c(F)cc1[O-] ZINC001196478566 746871477 /nfs/dbraw/zinc/87/14/77/746871477.db2.gz WKPOIOAXCODMAL-UHFFFAOYSA-N -3 0 313.605 1.024 20 0 DDADRL O=C(NCCOP(=O)([O-])[O-])c1cccn1Cc1ccccc1 ZINC001199778204 747992718 /nfs/dbraw/zinc/99/27/18/747992718.db2.gz COKIZASIPYMPQA-UHFFFAOYSA-N -2 0 324.273 1.376 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(Cl)cc2nccnc21 ZINC001168587666 751185748 /nfs/dbraw/zinc/18/57/48/751185748.db2.gz UTQDBJNCKBFJCR-UHFFFAOYSA-N -2 0 304.630 1.199 20 0 DDADRL O=P([O-])([O-])OCCNc1nc(Cl)nc2ncsc21 ZINC001157791676 766657378 /nfs/dbraw/zinc/65/73/78/766657378.db2.gz PXHHCGLMARDAOZ-UHFFFAOYSA-N -2 0 310.659 1.261 20 0 DDADRL CCOC(=O)c1cnoc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236215 778087609 /nfs/dbraw/zinc/08/76/09/778087609.db2.gz HUULKAZNCOFCDI-UHFFFAOYSA-N -2 0 320.257 1.991 20 0 DDADRL NC(=O)c1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(O)c1 ZINC001176245374 778093488 /nfs/dbraw/zinc/09/34/88/778093488.db2.gz YKWJIICDTBSHMO-UHFFFAOYSA-N -2 0 316.269 1.631 20 0 DDADRL O=P([O-])([O-])OCCNC(F)(F)Oc1cccnc1Cl ZINC001157787304 864139729 /nfs/dbraw/zinc/13/97/29/864139729.db2.gz HAZYSEBYONFHGM-UHFFFAOYSA-N -2 0 318.600 1.363 20 0 DDADRL Nc1cncc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2)c1 ZINC001209888178 875156415 /nfs/dbraw/zinc/15/64/15/875156415.db2.gz NVPWGLCZNNKDIX-UHFFFAOYSA-N -2 0 311.294 1.302 20 0 DDADRL Cc1cc(C)c(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(C)c1 ZINC001222900159 880738994 /nfs/dbraw/zinc/73/89/94/880738994.db2.gz LOEUFSNDQPLTIC-BXUZGUMPSA-N -2 0 324.329 1.191 20 0 DDADRL O=C(Oc1ccc2ccsc2c1)[C@H](O)COP(=O)([O-])[O-] ZINC001233605478 887143207 /nfs/dbraw/zinc/14/32/07/887143207.db2.gz WEAYVQWPDUZUQR-SECBINFHSA-N -2 0 318.243 1.277 20 0 DDADRL CNC(=O)c1ccnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242159528 891354954 /nfs/dbraw/zinc/35/49/54/891354954.db2.gz QVIWYTKEHHTIOL-UHFFFAOYSA-N -2 0 300.270 1.505 20 0 DDADRL COCc1nc(C)cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242161127 891355895 /nfs/dbraw/zinc/35/58/95/891355895.db2.gz XCBXLWIHOPVGOE-UHFFFAOYSA-N -2 0 302.286 1.995 20 0 DDADRL COc1ncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(OC)n1 ZINC001242161053 891356073 /nfs/dbraw/zinc/35/60/73/891356073.db2.gz PCUZRRHFPHQPJF-UHFFFAOYSA-N -2 0 304.258 1.557 20 0 DDADRL O=c1[nH]cnc([O-])c1-c1nc2c([n-]1)c(F)c(F)c(F)c2F ZINC001250873533 894481539 /nfs/dbraw/zinc/48/15/39/894481539.db2.gz AXGUWBRXRMMSRW-UHFFFAOYSA-N -2 0 300.171 1.988 20 0 DDADRL CCCCS(=O)(=O)[N-]c1cccc(C(=O)N(C)C)c1[O-] ZINC001253871550 896147799 /nfs/dbraw/zinc/14/77/99/896147799.db2.gz UGXADNVXGZFFBL-UHFFFAOYSA-N -2 0 300.380 1.636 20 0 DDADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccnc(F)c2)c1 ZINC001260209572 899090570 /nfs/dbraw/zinc/09/05/70/899090570.db2.gz MLZNKIILRLDBIL-UHFFFAOYSA-N -2 0 314.269 1.859 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2CO)cc1 ZINC001260222230 899095902 /nfs/dbraw/zinc/09/59/02/899095902.db2.gz RTWFKYUXMSTRTK-UHFFFAOYSA-N -2 0 308.315 1.073 20 0 DDADRL COC[C@]1(C(=O)[O-])CCN(c2ncc(C(=O)[O-])cc2Cl)C1 ZINC000634965706 422737470 /nfs/dbraw/zinc/73/74/70/422737470.db2.gz RKIVNERTXLPSCV-ZDUSSCGKSA-N -2 0 314.725 1.361 20 0 DDADRL O=C1N=NC(C2CC[NH+](Cc3cc(=O)[nH]c(C4CC4)n3)CC2)O1 ZINC000459426728 233186487 /nfs/dbraw/zinc/18/64/87/233186487.db2.gz DQVMMYOIGBYDCQ-UHFFFAOYSA-N -2 0 317.349 1.528 20 0 DDADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@H](C)CC(=O)[O-] ZINC000262900566 186321387 /nfs/dbraw/zinc/32/13/87/186321387.db2.gz BGICVIUAJDGNAL-SECBINFHSA-N -2 0 314.363 1.041 20 0 DDADRL N#Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1 ZINC000148762428 354170412 /nfs/dbraw/zinc/17/04/12/354170412.db2.gz KSCWWEZDAGWXEG-UHFFFAOYSA-N -2 0 318.310 1.763 20 0 DDADRL CCC(CC)(CNC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)C(=O)[O-] ZINC000626767887 367734929 /nfs/dbraw/zinc/73/49/29/367734929.db2.gz CBPZLNWMNRSHEE-GHMZBOCLSA-N -2 0 314.382 1.630 20 0 DDADRL CS(=O)(=O)Nc1ccccc1NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000262198733 203227434 /nfs/dbraw/zinc/22/74/34/203227434.db2.gz SDYVYLGNAXHHPE-RKDXNWHRSA-N -2 0 312.347 1.107 20 0 DDADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(C)c(C)cc1C(=O)[O-] ZINC000288325325 220085911 /nfs/dbraw/zinc/08/59/11/220085911.db2.gz VDVCINSEFVQDEG-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)no1 ZINC000021518028 182278039 /nfs/dbraw/zinc/27/80/39/182278039.db2.gz WYOPXOOPTPSRGV-UHFFFAOYSA-N -2 0 300.267 1.621 20 0 DDADRL Cc1nc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cn1C ZINC000053200382 183892083 /nfs/dbraw/zinc/89/20/83/183892083.db2.gz LIRIJPZWZCZHSA-UHFFFAOYSA-N -2 0 309.347 1.156 20 0 DDADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1O ZINC000044260487 407020802 /nfs/dbraw/zinc/02/08/02/407020802.db2.gz JZJTWDZKZNBNCK-UHFFFAOYSA-N -2 0 312.278 1.425 20 0 DDADRL CC(C)OCCS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000124663635 407365468 /nfs/dbraw/zinc/36/54/68/407365468.db2.gz HISSAQIXPLWZJI-UHFFFAOYSA-N -2 0 303.336 1.257 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cnn1C ZINC000176972310 408486657 /nfs/dbraw/zinc/48/66/57/408486657.db2.gz SCPDSPZIQWJOHO-UHFFFAOYSA-N -2 0 309.347 1.156 20 0 DDADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000290467917 409410448 /nfs/dbraw/zinc/41/04/48/409410448.db2.gz GGLIUFZYOMPRCS-UHFFFAOYSA-N -2 0 324.358 1.973 20 0 DDADRL CCn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cn1 ZINC000314956033 164016949 /nfs/dbraw/zinc/01/69/49/164016949.db2.gz PAQYJVWQNCVBOX-UHFFFAOYSA-N -2 0 309.347 1.710 20 0 DDADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000315276630 164018673 /nfs/dbraw/zinc/01/86/73/164018673.db2.gz BIVCNUDSLMBRPW-UHFFFAOYSA-N -2 0 324.314 1.186 20 0 DDADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc3c2OCO3)c1 ZINC000337751759 410982843 /nfs/dbraw/zinc/98/28/43/410982843.db2.gz JLFFNQVCTITPJS-UHFFFAOYSA-N -2 0 321.310 1.914 20 0 DDADRL O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc(C(=O)[O-])cn1 ZINC000647734213 423020160 /nfs/dbraw/zinc/02/01/60/423020160.db2.gz YOICWZVTRZOJJF-LLVKDONJSA-N -2 0 306.318 1.639 20 0 DDADRL CC(C)C[C@H](CN=c1[n-]c(C2CCOCC2)no1)CC(=O)[O-] ZINC000652535494 423056121 /nfs/dbraw/zinc/05/61/21/423056121.db2.gz NCGSWKWDZWTZCM-NSHDSACASA-N -2 0 311.382 1.934 20 0 DDADRL COCCOCCS(=O)(=O)[N-]c1ccc(F)c(F)c1[O-] ZINC000414380216 292586632 /nfs/dbraw/zinc/58/66/32/292586632.db2.gz GFDRMHMIZVBVJI-UHFFFAOYSA-N -2 0 311.306 1.075 20 0 DDADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C(F)F)c1 ZINC000361782351 418709778 /nfs/dbraw/zinc/70/97/78/418709778.db2.gz QQGVMROKGWRIAA-UHFFFAOYSA-N -2 0 321.261 1.679 20 0 DDADRL CCn1nccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000471918916 420957728 /nfs/dbraw/zinc/95/77/28/420957728.db2.gz AWFAIVIYIVFABM-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cnn1C ZINC000489602798 421166189 /nfs/dbraw/zinc/16/61/89/421166189.db2.gz JMQHXQUHTPMSSY-UHFFFAOYSA-N -2 0 313.310 1.367 20 0 DDADRL CCCSC[C@@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000547905821 421378418 /nfs/dbraw/zinc/37/84/18/421378418.db2.gz GBUQRUDFSBMBOB-RNFRBKRXSA-N -2 0 323.358 1.453 20 0 DDADRL O=C([O-])COc1ccc(CCN=c2[n-]nc(C3CC3)o2)cc1 ZINC000516973222 421585843 /nfs/dbraw/zinc/58/58/43/421585843.db2.gz QBKOMSTWXMSDNL-UHFFFAOYSA-N -2 0 303.318 1.487 20 0 DDADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C1(C(=O)[O-])CCC(C)CC1 ZINC000554538531 421648666 /nfs/dbraw/zinc/64/86/66/421648666.db2.gz NPUPZLYRARJTKL-ZCUBBSJVSA-N -2 0 317.329 1.890 20 0 DDADRL C[C@H]1CN(S(=O)(=O)c2cc([O-])cc(F)c2)CC[C@H]1C(=O)[O-] ZINC000630447565 422109168 /nfs/dbraw/zinc/10/91/68/422109168.db2.gz SMLBDTHXNIDBHX-QPUJVOFHSA-N -2 0 317.338 1.263 20 0 DDADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)N[C@@H](C)C1CC1 ZINC000645951714 423260241 /nfs/dbraw/zinc/26/02/41/423260241.db2.gz DOBISEUGNGIARL-LURJTMIESA-N -2 0 305.377 1.532 20 0 DDADRL CC(C)(CCNC(=O)c1cccc(OCC(=O)[O-])c1)C(=O)[O-] ZINC000659767212 424237718 /nfs/dbraw/zinc/23/77/18/424237718.db2.gz YFARCLQNHBFTOK-UHFFFAOYSA-N -2 0 309.318 1.381 20 0 DDADRL CC(C)(C)CN(CC(=O)[O-])C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659781307 424252239 /nfs/dbraw/zinc/25/22/39/424252239.db2.gz AOKGAHOASJVBSO-UHFFFAOYSA-N -2 0 323.345 1.723 20 0 DDADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000665316554 424781403 /nfs/dbraw/zinc/78/14/03/424781403.db2.gz IGSDGZKLZZFLRH-JLLWLGSASA-N -2 0 312.366 1.240 20 0 DDADRL COc1cc(S(=O)(=O)N[C@H](CF)C(=O)[O-])ccc1Cl ZINC000577507732 308394294 /nfs/dbraw/zinc/39/42/94/308394294.db2.gz SBORXYAOMRXYTE-MRVPVSSYSA-N -2 0 311.718 1.050 20 0 DDADRL O=C([O-])[C@@H](CCF)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000656162770 483987531 /nfs/dbraw/zinc/98/75/31/483987531.db2.gz IIKMRRWFPJUTOY-ZCFIWIBFSA-N -2 0 315.244 1.195 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)C1 ZINC000663028348 484610100 /nfs/dbraw/zinc/61/01/00/484610100.db2.gz RQLYMDMWUJBDKE-SMDDNHRTSA-N -2 0 311.378 1.981 20 0 DDADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)n1 ZINC000663138961 484697453 /nfs/dbraw/zinc/69/74/53/484697453.db2.gz SPNPJSWCZXZZAU-OAHLLOKOSA-N -2 0 321.333 1.452 20 0 DDADRL CC(C)c1cccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000681556029 486453381 /nfs/dbraw/zinc/45/33/81/486453381.db2.gz SRKQQHVWVNZEHX-NSHDSACASA-N -2 0 315.347 1.016 20 0 DDADRL C[C@H](C(=O)[O-])N(C)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000817762501 597469386 /nfs/dbraw/zinc/46/93/86/597469386.db2.gz NMFGQBVCRXFIBG-ZCFIWIBFSA-N -2 0 307.331 1.169 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000821551528 598181561 /nfs/dbraw/zinc/18/15/61/598181561.db2.gz PSSIECOOMUXDPO-OLZOCXBDSA-N -2 0 303.314 1.668 20 0 DDADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C#N)cn1 ZINC000315770766 600178757 /nfs/dbraw/zinc/17/87/57/600178757.db2.gz FNKLKPYVRLVOBY-UHFFFAOYSA-N -2 0 317.326 1.761 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc(C)ccc2F)c1C(=O)[O-] ZINC000738603645 600229290 /nfs/dbraw/zinc/22/92/90/600229290.db2.gz OCGQOFAUNRMGFO-UHFFFAOYSA-N -2 0 313.310 1.665 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cnn(C(C)C)c2)c(C(=O)[O-])[nH]1 ZINC000738463494 600893011 /nfs/dbraw/zinc/89/30/11/600893011.db2.gz HQOVAFWXANAYDC-UHFFFAOYSA-N -2 0 312.351 1.600 20 0 DDADRL CC(C)c1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1 ZINC000827129859 600986527 /nfs/dbraw/zinc/98/65/27/600986527.db2.gz YEHPXXRLZATUPW-UHFFFAOYSA-N -2 0 324.362 1.287 20 0 DDADRL Cc1nc(C)c([N-]S(=O)(=O)c2csnc2C(=O)[O-])s1 ZINC000832996217 601487465 /nfs/dbraw/zinc/48/74/65/601487465.db2.gz UOQDVLOQMNYQAB-UHFFFAOYSA-N -2 0 319.389 1.715 20 0 DDADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnccc1C ZINC000316064142 601575716 /nfs/dbraw/zinc/57/57/16/601575716.db2.gz KIQBGQBGKBTHAY-UHFFFAOYSA-N -2 0 322.342 1.898 20 0 DDADRL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000832918222 601613298 /nfs/dbraw/zinc/61/32/98/601613298.db2.gz CDCQZVQZNOHXIT-QMMMGPOBSA-N -2 0 301.320 1.156 20 0 DDADRL CSc1n[nH]c([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n1 ZINC000832798150 601847534 /nfs/dbraw/zinc/84/75/34/601847534.db2.gz GHDPZUKLVBCGHH-UHFFFAOYSA-N -2 0 320.377 1.087 20 0 DDADRL CN(Cc1cccc([N-]S(=O)(=O)c2ccnn2C)c1)C(=O)[O-] ZINC000739711055 602655073 /nfs/dbraw/zinc/65/50/73/602655073.db2.gz AXDRCRZHFYHFEH-UHFFFAOYSA-N -2 0 324.362 1.331 20 0 DDADRL CCC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C)s1 ZINC000739321073 602669788 /nfs/dbraw/zinc/66/97/88/602669788.db2.gz UMEBABNIRAYRHJ-QMMMGPOBSA-N -2 0 320.392 1.298 20 0 DDADRL O=C([O-])N1CCC[C@H]1CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000831645269 603770227 /nfs/dbraw/zinc/77/02/27/603770227.db2.gz BDUREGVELAMOCC-VIFPVBQESA-N -2 0 321.358 1.989 20 0 DDADRL CCC[C@H](NC(=O)c1ccc(C)c(NC(=O)[O-])c1)c1nnn[n-]1 ZINC000826764635 604002470 /nfs/dbraw/zinc/00/24/70/604002470.db2.gz KPCLQXCYTBWOCE-JTQLQIEISA-N -2 0 318.337 1.869 20 0 DDADRL COCCO[N-]C(=O)C1(c2ccccc2)CCN(C(=O)[O-])CC1 ZINC000829007027 604086532 /nfs/dbraw/zinc/08/65/32/604086532.db2.gz AVOROVLQLHDAFP-UHFFFAOYSA-N -2 0 322.361 1.392 20 0 DDADRL CCn1cc(S(=O)(=O)[N-]c2cc(C)[nH]c2C(=O)[O-])nc1C ZINC000163456039 604508902 /nfs/dbraw/zinc/50/89/02/604508902.db2.gz ISNXKBHIQYBMFQ-UHFFFAOYSA-N -2 0 312.351 1.347 20 0 DDADRL CC(C)c1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cn1 ZINC000827117742 604693335 /nfs/dbraw/zinc/69/33/35/604693335.db2.gz IPOPLXIVRGIKIS-UHFFFAOYSA-N -2 0 314.363 1.129 20 0 DDADRL COCc1ccc(S(=O)(=O)[N-]c2cc(C)[nH]c2C(=O)[O-])cc1 ZINC000833725641 605042184 /nfs/dbraw/zinc/04/21/84/605042184.db2.gz CNYYOBCVKKCNKP-UHFFFAOYSA-N -2 0 324.358 1.969 20 0 DDADRL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000833601515 605187976 /nfs/dbraw/zinc/18/79/76/605187976.db2.gz LLFHVIUGVQTGFU-YUMQZZPRSA-N -2 0 317.388 1.687 20 0 DDADRL CN(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(C)(C)C(=O)[O-] ZINC000833688238 605529800 /nfs/dbraw/zinc/52/98/00/605529800.db2.gz JTUUHHPTJNFWEG-UHFFFAOYSA-N -2 0 321.308 1.652 20 0 DDADRL O=C([O-])N1[C@H](C(=O)[N-]OCc2cccnc2)C[C@H]2CCCC[C@@H]21 ZINC000834050045 605656192 /nfs/dbraw/zinc/65/61/92/605656192.db2.gz UWODNYNRSDJTGQ-RDBSUJKOSA-N -2 0 319.361 1.941 20 0 DDADRL O=C([O-])COc1ccc(NC(=O)[C@H]2CCCN2C(=O)[O-])cc1 ZINC000834064660 605690001 /nfs/dbraw/zinc/69/00/01/605690001.db2.gz DMUWHUWPGSNECG-LLVKDONJSA-N -2 0 308.290 1.231 20 0 DDADRL O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cc1[O-] ZINC000834095034 605985394 /nfs/dbraw/zinc/98/53/94/605985394.db2.gz NJHMLJFNMCIAFL-MNOVXSKESA-N -2 0 308.309 1.888 20 0 DDADRL O=C([O-])[C@@H](NC(=O)CN(CC1CC1)C(=O)[O-])c1ccccc1 ZINC000834007231 606047801 /nfs/dbraw/zinc/04/78/01/606047801.db2.gz SOCJHRDVMXVFTD-ZDUSSCGKSA-N -2 0 306.318 1.319 20 0 DDADRL C[C@@H](NC(=O)[O-])C(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000833895092 606049383 /nfs/dbraw/zinc/04/93/83/606049383.db2.gz PVSMSSJHYZECHI-MRVPVSSYSA-N -2 0 318.289 1.165 20 0 DDADRL O=C([O-])CC1(CNC(=O)CC2CN(C(=O)[O-])C2)CCCCC1 ZINC000834059198 606113446 /nfs/dbraw/zinc/11/34/46/606113446.db2.gz AMWBULHVHPFENR-UHFFFAOYSA-N -2 0 312.366 1.528 20 0 DDADRL CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)c1 ZINC000776426977 698106057 /nfs/dbraw/zinc/10/60/57/698106057.db2.gz MGBQXCFCLXCRFV-UHFFFAOYSA-N -2 0 323.330 1.122 20 0 DDADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2cn[nH]c2)cc1F ZINC000382906124 699068322 /nfs/dbraw/zinc/06/83/22/699068322.db2.gz IZFYJAMKFSHOKS-UHFFFAOYSA-N -2 0 303.246 1.187 20 0 DDADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000863952373 706045047 /nfs/dbraw/zinc/04/50/47/706045047.db2.gz UKCZNBPMTZACBD-QMMMGPOBSA-N -2 0 323.779 1.317 20 0 DDADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)CCc1ccccc1 ZINC000863953861 706045609 /nfs/dbraw/zinc/04/56/09/706045609.db2.gz BHHUTHUOOLEYRA-UHFFFAOYSA-N -2 0 313.375 1.320 20 0 DDADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000863956179 706046325 /nfs/dbraw/zinc/04/63/25/706046325.db2.gz JZXZUSVFBICZBW-UHFFFAOYSA-N -2 0 305.377 1.444 20 0 DDADRL Cc1cccc(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])c1Cl ZINC000863958410 706046475 /nfs/dbraw/zinc/04/64/75/706046475.db2.gz XTVMZEUTYMTXLO-UHFFFAOYSA-N -2 0 319.766 1.564 20 0 DDADRL CSCC[C@H]([N-]C(=O)C(F)(F)C(F)F)c1nn[n-]n1 ZINC000912861751 713110622 /nfs/dbraw/zinc/11/06/22/713110622.db2.gz WLKHVKAFVGELPD-BYPYZUCNSA-N -2 0 301.269 1.011 20 0 DDADRL Cc1scc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1C ZINC000910184358 709801614 /nfs/dbraw/zinc/80/16/14/709801614.db2.gz PTDBPJHEYCZOGL-GXSJLCMTSA-N -2 0 311.359 1.755 20 0 DDADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)C1CCC2(CC2)CC1 ZINC000910185117 709801686 /nfs/dbraw/zinc/80/16/86/709801686.db2.gz ZFLUKCBFPQKFBF-NWDGAFQWSA-N -2 0 309.362 1.733 20 0 DDADRL Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c(C)s1 ZINC000910188586 709803323 /nfs/dbraw/zinc/80/33/23/709803323.db2.gz MKXYDRIEJKQKJP-ONGXEEELSA-N -2 0 311.359 1.755 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H]1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000902068517 710602938 /nfs/dbraw/zinc/60/29/38/710602938.db2.gz BRKCXERKHWTYOD-JHJVBQTASA-N -2 0 303.314 1.308 20 0 DDADRL O=C([O-])CC[C@@H]1CC[C@H](C(=O)[N-]OCc2ccc(F)cc2)O1 ZINC000911805114 711003348 /nfs/dbraw/zinc/00/33/48/711003348.db2.gz IWOIALVSJSPOGG-QWHCGFSZSA-N -2 0 311.309 1.786 20 0 DDADRL CC1(C)[C@@H]2CN(S(=O)(=O)c3cc(C(=O)[O-])ccc3[O-])C[C@@H]21 ZINC000906876617 712426400 /nfs/dbraw/zinc/42/64/00/712426400.db2.gz IIIADSWBSZYUGV-AOOOYVTPSA-N -2 0 311.359 1.367 20 0 DDADRL CC(C)[C@H](CO)O[N-]C(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC000907850025 712635674 /nfs/dbraw/zinc/63/56/74/712635674.db2.gz JKAHRNKUBKROJO-DVOMOZLQSA-N -2 0 307.346 1.310 20 0 DDADRL O=C([O-])[C@]1(C(=O)[N-]O[C@@H]2CCCCO2)C[C@@H]1c1ccccc1 ZINC000907852497 712635963 /nfs/dbraw/zinc/63/59/63/712635963.db2.gz YJMPJTHFUVFFJB-XJKCOSOUSA-N -2 0 305.330 1.819 20 0 DDADRL CN(C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1)C(C)(C)C ZINC001189924493 745038103 /nfs/dbraw/zinc/03/81/03/745038103.db2.gz YHLGGDCYICSTTJ-UHFFFAOYSA-N -2 0 315.347 1.502 20 0 DDADRL O=C(N[C@H]1CCC[C@H]1CO)c1ccccc1OP(=O)([O-])[O-] ZINC001189898382 745047587 /nfs/dbraw/zinc/04/75/87/745047587.db2.gz BCXRYQSNSVGOOC-ONGXEEELSA-N -2 0 315.262 1.049 20 0 DDADRL CC1(C)C[C@@H](CNC(=O)c2ccccc2OP(=O)([O-])[O-])O1 ZINC001189900272 745048322 /nfs/dbraw/zinc/04/83/22/745048322.db2.gz XKQLJLFAKQHEPB-VIFPVBQESA-N -2 0 315.262 1.455 20 0 DDADRL Cn1cncc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192109874 745692323 /nfs/dbraw/zinc/69/23/23/745692323.db2.gz OFZNZBMWCNLIMZ-UHFFFAOYSA-N -2 0 309.347 1.238 20 0 DDADRL O=C(Nc1cc(=O)[n-]c(Cl)n1)c1cc(Cl)ncc1[O-] ZINC001196386744 746851724 /nfs/dbraw/zinc/85/17/24/746851724.db2.gz FEHUCQFMNXNRIK-UHFFFAOYSA-N -2 0 301.089 1.842 20 0 DDADRL O=C(CCNc1ccc(P(=O)([O-])[O-])cc1)Nc1ccccc1 ZINC001168980758 762149567 /nfs/dbraw/zinc/14/95/67/762149567.db2.gz GUNXMQUQASRWET-UHFFFAOYSA-N -2 0 320.285 1.930 20 0 DDADRL O=C([O-])C[C@@H](C(=O)OCCC1CCCCC1)[C@H](O)C(=O)[O-] ZINC001206041303 766166048 /nfs/dbraw/zinc/16/60/48/766166048.db2.gz LQBCDNSZEJPDJC-PWSUYJOCSA-N -2 0 302.323 1.036 20 0 DDADRL CC(C)(C)OC(=O)c1ccc(NCCOP(=O)([O-])[O-])nc1 ZINC001157792220 766663056 /nfs/dbraw/zinc/66/30/56/766663056.db2.gz XQJSPOJDENXSPF-UHFFFAOYSA-N -2 0 318.266 1.558 20 0 DDADRL O=C(NCCc1n[n-]c(=S)o1)c1ccc2oc(=S)[n-]c2c1 ZINC001154907795 861558617 /nfs/dbraw/zinc/55/86/17/861558617.db2.gz VVFGPUYUUKNMAI-UHFFFAOYSA-N -2 0 322.371 1.761 20 0 DDADRL O=P([O-])([O-])OCCNc1nc2ccccc2nc1Cl ZINC001157787362 864140186 /nfs/dbraw/zinc/14/01/86/864140186.db2.gz IHPMJKMXWOQTDM-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL C[C@H](Nc1ccc(P(=O)([O-])[O-])cc1)c1nnc2ccccn21 ZINC001162186569 867325338 /nfs/dbraw/zinc/32/53/38/867325338.db2.gz QZHMULKGJBIPQZ-JTQLQIEISA-N -2 0 318.273 1.705 20 0 DDADRL O=C([O-])c1sccc1-c1cccc2c1NC(=O)[N-]S2(=O)=O ZINC001205605857 871655238 /nfs/dbraw/zinc/65/52/38/871655238.db2.gz RWTKSZXAYAPFJT-UHFFFAOYSA-N -2 0 324.339 1.937 20 0 DDADRL CC[C@H](C)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001227331504 882972902 /nfs/dbraw/zinc/97/29/02/882972902.db2.gz ZPNSPWFXFSKWHV-WFBYXXMGSA-N -2 0 324.329 1.642 20 0 DDADRL Cc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(C)c1C ZINC001234388926 887928024 /nfs/dbraw/zinc/92/80/24/887928024.db2.gz KXCHHWNYRYUSRA-WCQYABFASA-N -2 0 310.302 1.054 20 0 DDADRL COc1ncc(OC)c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242159500 891354006 /nfs/dbraw/zinc/35/40/06/891354006.db2.gz PZKWYODBXSQEGW-UHFFFAOYSA-N -2 0 304.258 1.557 20 0 DDADRL COC(=O)Cc1ccncc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242162465 891357103 /nfs/dbraw/zinc/35/71/03/891357103.db2.gz GOOWXGYXMIECHT-UHFFFAOYSA-N -2 0 315.281 1.861 20 0 DDADRL CNC(=O)c1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cnc1F ZINC001242163832 891358441 /nfs/dbraw/zinc/35/84/41/891358441.db2.gz NRQHREDMNMYILB-UHFFFAOYSA-N -2 0 318.260 1.644 20 0 DDADRL C[C@@H](O)c1ccnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001260184783 899079570 /nfs/dbraw/zinc/07/95/70/899079570.db2.gz CEHLUJNLJVIGAD-SECBINFHSA-N -2 0 322.342 1.634 20 0 DDADRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)o1 ZINC001260208482 899091493 /nfs/dbraw/zinc/09/14/93/899091493.db2.gz OLEZXWYNTAIVMV-UHFFFAOYSA-N -2 0 300.267 1.621 20 0 DDADRL CC(C)c1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)o1 ZINC001260220705 899092920 /nfs/dbraw/zinc/09/29/20/899092920.db2.gz IMDWUMJHYFFCGI-UHFFFAOYSA-N -2 0 311.319 1.692 20 0 DDADRL C[C@@H](CC(=O)[O-])CC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000315025097 354490516 /nfs/dbraw/zinc/49/05/16/354490516.db2.gz LRSCGFWBHSQFFA-MRVPVSSYSA-N -2 0 323.374 1.856 20 0 DDADRL CC(C)(C)OC(=O)[C@@]1(C(=O)N=c2ccc(=O)[nH][nH]2)CC1(C)C ZINC000598833497 357739432 /nfs/dbraw/zinc/73/94/32/357739432.db2.gz XXMFYFLWSZVEBI-HNNXBMFYSA-N -2 0 307.350 1.301 20 0 DDADRL O=C([N-]N1CCCCC1=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000104878026 194049906 /nfs/dbraw/zinc/04/99/06/194049906.db2.gz VXEZGXUYUYTWBU-UHFFFAOYSA-N -2 0 318.308 1.374 20 0 DDADRL O=C([O-])COc1ccc(CCN=c2[n-]nc(C(F)F)o2)cc1 ZINC000567505413 304224770 /nfs/dbraw/zinc/22/47/70/304224770.db2.gz YKGHLTWPUZWKNN-UHFFFAOYSA-N -2 0 313.260 1.547 20 0 DDADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2c[nH]nc2C)c1 ZINC000096474849 407270549 /nfs/dbraw/zinc/27/05/49/407270549.db2.gz RTJSVCGFEGVLLB-UHFFFAOYSA-N -2 0 311.319 1.226 20 0 DDADRL CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000134756795 407935580 /nfs/dbraw/zinc/93/55/80/407935580.db2.gz PBQMUCYWSUAPDU-UHFFFAOYSA-N -2 0 324.358 1.973 20 0 DDADRL O=C([O-])C[C@@H]1CCCN(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000571295576 304450799 /nfs/dbraw/zinc/45/07/99/304450799.db2.gz OVOFQGWJBOXELY-LBPRGKRZSA-N -2 0 320.345 1.781 20 0 DDADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000195211102 222192332 /nfs/dbraw/zinc/19/23/32/222192332.db2.gz SYICTTNLHCGDLZ-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)nn1C(C)C ZINC000421184990 419516931 /nfs/dbraw/zinc/51/69/31/419516931.db2.gz QDQQDPSUQLMMIO-UHFFFAOYSA-N -2 0 312.351 1.600 20 0 DDADRL COC(=O)c1ccc2c(c1)nc(-c1nc(C3CC3)n[nH]1)[nH]c2=O ZINC000416409513 420360864 /nfs/dbraw/zinc/36/08/64/420360864.db2.gz BNGZZJMCWPJNMY-UHFFFAOYSA-N -2 0 311.301 1.372 20 0 DDADRL CCc1nnc(CNS(=O)(=O)c2cc([O-])cc(F)c2)s1 ZINC000632348518 422266865 /nfs/dbraw/zinc/26/68/65/422266865.db2.gz JFNIFVQTJSNCGJ-UHFFFAOYSA-N -2 0 317.367 1.424 20 0 DDADRL COc1ccc([O-])c(C(=O)N=c2nc(C(C)(C)OC)[n-]s2)c1 ZINC000634153343 422291589 /nfs/dbraw/zinc/29/15/89/422291589.db2.gz QQELVXBPUCKESE-UHFFFAOYSA-N -2 0 323.374 1.808 20 0 DDADRL COc1cccc(C(=O)N=c2nc(C(C)(C)OC)[n-]s2)c1[O-] ZINC000634154087 422291692 /nfs/dbraw/zinc/29/16/92/422291692.db2.gz YXKMKJOFLNWMIG-UHFFFAOYSA-N -2 0 323.374 1.808 20 0 DDADRL CCC(CC)(CNC(=O)c1cccc(OCC(=O)[O-])c1)C(=O)[O-] ZINC000659762961 424230271 /nfs/dbraw/zinc/23/02/71/424230271.db2.gz DJBSGMZMOCIVRD-UHFFFAOYSA-N -2 0 323.345 1.771 20 0 DDADRL Cn1cc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1C(=O)[O-] ZINC000361782396 299935887 /nfs/dbraw/zinc/93/58/87/299935887.db2.gz RKFAYXGBYBJACQ-UHFFFAOYSA-N -2 0 320.277 1.116 20 0 DDADRL Cc1noc(C)c1[N-]S(=O)(=O)Cc1ccccc1CC(=O)[O-] ZINC000357135786 298974931 /nfs/dbraw/zinc/97/49/31/298974931.db2.gz TVIJVZCVGGBZAF-UHFFFAOYSA-N -2 0 324.358 1.860 20 0 DDADRL Cc1ccc([N-]S(=O)(=O)c2cnc3n2CCC3)cc1C(=O)[O-] ZINC000362123845 300011374 /nfs/dbraw/zinc/01/13/74/300011374.db2.gz HMAGQFWHXGAXEX-UHFFFAOYSA-N -2 0 321.358 1.637 20 0 DDADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cncnc3)c1)CCC2 ZINC000362213280 300029726 /nfs/dbraw/zinc/02/97/26/300029726.db2.gz HPLYPAWYLBWNDT-UHFFFAOYSA-N -2 0 319.342 1.464 20 0 DDADRL CC[C@H](C)CS(=O)(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000548525164 307774972 /nfs/dbraw/zinc/77/49/72/307774972.db2.gz RPMRQSZFZTZUKC-QMMMGPOBSA-N -2 0 315.347 1.871 20 0 DDADRL COCc1n[n-]c(=NC[C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000577496256 308392616 /nfs/dbraw/zinc/39/26/16/308392616.db2.gz HQQMXXHVMIBRKY-NSHDSACASA-N -2 0 307.375 1.462 20 0 DDADRL CO[C@H](CS(=O)(=O)[N-]c1ccccc1O)[C@@H]1CCOC1 ZINC000656613684 484243240 /nfs/dbraw/zinc/24/32/40/484243240.db2.gz NWXHTALHKUQWCJ-ZWNOBZJWSA-N -2 0 301.364 1.185 20 0 DDADRL C[C@@](CNC(=O)[C@@H](C(=O)[O-])C1CC1)(C(=O)[O-])c1ccccc1 ZINC000663121439 484684998 /nfs/dbraw/zinc/68/49/98/484684998.db2.gz YTWMNYCUVIBXOM-LRDDRELGSA-N -2 0 305.330 1.256 20 0 DDADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c[nH]1 ZINC000680808931 486269445 /nfs/dbraw/zinc/26/94/45/486269445.db2.gz SNQYCEBCPQXDGI-UHFFFAOYSA-N -2 0 323.374 1.961 20 0 DDADRL CCCc1nc(=NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)s[n-]1 ZINC000422543428 528688824 /nfs/dbraw/zinc/68/88/24/528688824.db2.gz RVZIQOPIRVRXIX-BDAKNGLRSA-N -2 0 312.395 1.487 20 0 DDADRL CCCCc1n[n-]c(=NC(=O)NCCC(C)(C)C(=O)[O-])s1 ZINC000424473297 529034284 /nfs/dbraw/zinc/03/42/84/529034284.db2.gz QLBMPNKHRAYFFR-UHFFFAOYSA-N -2 0 314.411 1.925 20 0 DDADRL Cc1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)sc1C ZINC000049099151 599801905 /nfs/dbraw/zinc/80/19/05/599801905.db2.gz BJXNHRQBHJXUFO-UHFFFAOYSA-N -2 0 302.333 1.852 20 0 DDADRL CN(CCC(=O)[O-])C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000818447784 597013214 /nfs/dbraw/zinc/01/32/14/597013214.db2.gz DBVMEVVLHAGTHH-UHFFFAOYSA-N -2 0 307.331 1.171 20 0 DDADRL CC(C)[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000736375419 599884874 /nfs/dbraw/zinc/88/48/74/599884874.db2.gz PBTDGULHAQLGHO-SNVBAGLBSA-N -2 0 306.384 1.057 20 0 DDADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ncccc2C)c1C(=O)[O-] ZINC000037300484 600101928 /nfs/dbraw/zinc/10/19/28/600101928.db2.gz CKJIVXYCCCQCAI-UHFFFAOYSA-N -2 0 310.331 2.099 20 0 DDADRL O=C([O-])[C@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2[O-])CCO1 ZINC000738546898 600102651 /nfs/dbraw/zinc/10/26/51/600102651.db2.gz FCJXHVVNYJWIGE-MRVPVSSYSA-N -2 0 320.128 1.625 20 0 DDADRL CCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)n(C)n1 ZINC000737252884 600246754 /nfs/dbraw/zinc/24/67/54/600246754.db2.gz VHNYVCMVGCNHNO-UHFFFAOYSA-N -2 0 323.374 1.790 20 0 DDADRL CN(Cc1ccc([N-]S(=O)(=O)c2cnn(C)c2)cc1)C(=O)[O-] ZINC000737485878 600300171 /nfs/dbraw/zinc/30/01/71/600300171.db2.gz JTSOCRFXGOVXIR-UHFFFAOYSA-N -2 0 324.362 1.331 20 0 DDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nnc3ccccn32)s1 ZINC000740185673 600521284 /nfs/dbraw/zinc/52/12/84/600521284.db2.gz CWOOCPYQFRTBMO-UHFFFAOYSA-N -2 0 324.343 1.290 20 0 DDADRL CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cc1 ZINC000316190028 600576068 /nfs/dbraw/zinc/57/60/68/600576068.db2.gz LEQORUSXUNZXFE-UHFFFAOYSA-N -2 0 320.326 1.783 20 0 DDADRL Cc1ccc(NS(=O)(=O)C[C@@H](C)C(=O)[O-])c(C(=O)[O-])c1 ZINC000832951621 601241648 /nfs/dbraw/zinc/24/16/48/601241648.db2.gz KQGVSLJQDNGJEG-MRVPVSSYSA-N -2 0 301.320 1.156 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2sc(C)nc2C)c(C(=O)[O-])[nH]1 ZINC000832898376 601250204 /nfs/dbraw/zinc/25/02/04/601250204.db2.gz FRSXOEKTNPAGFR-UHFFFAOYSA-N -2 0 315.376 1.895 20 0 DDADRL CCCC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC000829295660 601355363 /nfs/dbraw/zinc/35/53/63/601355363.db2.gz JFTJLBMDJLTVSS-LLVKDONJSA-N -2 0 315.347 1.307 20 0 DDADRL CCn1nccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000830452383 601358781 /nfs/dbraw/zinc/35/87/81/601358781.db2.gz XHNPJTUNTAJBEQ-YVMONPNESA-N -2 0 321.358 1.802 20 0 DDADRL CCc1nnc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)s1 ZINC000232264055 601501805 /nfs/dbraw/zinc/50/18/05/601501805.db2.gz SEEBKMPQMCLNJP-UHFFFAOYSA-N -2 0 319.389 1.661 20 0 DDADRL Cn1cc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1C(=O)[O-] ZINC000833053107 601783678 /nfs/dbraw/zinc/78/36/78/601783678.db2.gz PYLFPFNJEARJAV-UHFFFAOYSA-N -2 0 316.285 1.802 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc(F)ccc2O)c1C(=O)[O-] ZINC000832992156 602308589 /nfs/dbraw/zinc/30/85/89/602308589.db2.gz ZLIWYKJRJMSGFF-UHFFFAOYSA-N -2 0 315.282 1.062 20 0 DDADRL CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000736375264 602325108 /nfs/dbraw/zinc/32/51/08/602325108.db2.gz NGKWYMKFGLVVDB-SNVBAGLBSA-N -2 0 320.305 1.261 20 0 DDADRL C[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CC[C@@H]1NC(=O)[O-] ZINC000739191822 602788552 /nfs/dbraw/zinc/78/85/52/602788552.db2.gz QPBOBXAROOEYLX-BDAKNGLRSA-N -2 0 322.390 1.875 20 0 DDADRL CCC(CC)S(=O)(=O)[N-]C(=O)CC1(NC(=O)[O-])CCC1 ZINC000826575702 603436449 /nfs/dbraw/zinc/43/64/49/603436449.db2.gz MVLVKDZOBGSXQD-UHFFFAOYSA-N -2 0 306.384 1.201 20 0 DDADRL Cn1ccc(S(=O)(=O)[N-]c2cccc3c2CCN3C(=O)[O-])n1 ZINC000831023216 604015549 /nfs/dbraw/zinc/01/55/49/604015549.db2.gz ZKHNDMVQLAZZGK-UHFFFAOYSA-N -2 0 322.346 1.261 20 0 DDADRL CC(=O)c1[nH]c(CC(=O)[N-]OCC(F)(F)F)c(C(=O)[O-])c1C ZINC000825936422 604427575 /nfs/dbraw/zinc/42/75/75/604427575.db2.gz CQCUZIDXTONCJI-UHFFFAOYSA-N -2 0 322.239 1.377 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)CC2(NC(=O)[O-])CCC2)C1 ZINC000834060155 605307226 /nfs/dbraw/zinc/30/72/26/605307226.db2.gz OGHWDEXGIDVSMF-NSHDSACASA-N -2 0 312.366 1.670 20 0 DDADRL O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])C1 ZINC000834060775 605310302 /nfs/dbraw/zinc/31/03/02/605310302.db2.gz WBJRMWONJCVJBB-QJPTWQEYSA-N -2 0 312.366 1.526 20 0 DDADRL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000834059822 606030768 /nfs/dbraw/zinc/03/07/68/606030768.db2.gz URHVXWIGCOPZEI-CYDGBPFRSA-N -2 0 324.377 1.763 20 0 DDADRL O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CC1CN(C(=O)[O-])C1 ZINC000834058452 606030997 /nfs/dbraw/zinc/03/09/97/606030997.db2.gz NCQYYTPVEOIQGH-WOPDTQHZSA-N -2 0 310.350 1.231 20 0 DDADRL C[C@@H](C(=O)[O-])N(C)C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833789828 606050717 /nfs/dbraw/zinc/05/07/17/606050717.db2.gz MBASOJNTOAPFTA-CMPLNLGQSA-N -2 0 308.334 1.707 20 0 DDADRL O=C([O-])CC1(NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CCCCC1 ZINC000834059955 606052222 /nfs/dbraw/zinc/05/22/22/606052222.db2.gz DPANXYBCJNISMZ-GHMZBOCLSA-N -2 0 312.366 1.717 20 0 DDADRL O=C([O-])CC1(NC(=O)C[C@@H]2CCCN2C(=O)[O-])CCCCC1 ZINC000834061105 606052629 /nfs/dbraw/zinc/05/26/29/606052629.db2.gz OHCXISTZVAVTSK-NSHDSACASA-N -2 0 312.366 1.813 20 0 DDADRL Cc1oc(CN(C)C(=O)[C@@H]2CCN(C(=O)[O-])C2)cc1C(=O)[O-] ZINC000833934550 606054986 /nfs/dbraw/zinc/05/49/86/606054986.db2.gz LYHQUXSVMYTSFE-SECBINFHSA-N -2 0 310.306 1.245 20 0 DDADRL O=C([O-])Nc1cccc(C(=O)NCc2ccc(C(=O)[O-])o2)c1 ZINC000834263012 606062407 /nfs/dbraw/zinc/06/24/07/606062407.db2.gz OQEBCKDOVCQKSP-UHFFFAOYSA-N -2 0 304.258 1.998 20 0 DDADRL CC(C)C[C@@H](CNC(=O)c1ccc(CNC(=O)[O-])cc1)C(=O)[O-] ZINC000833796351 606064460 /nfs/dbraw/zinc/06/44/60/606064460.db2.gz WYGTZEFQRMDQDK-ZDUSSCGKSA-N -2 0 322.361 1.931 20 0 DDADRL O=C([O-])N[C@H](CC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000834120544 606112308 /nfs/dbraw/zinc/11/23/08/606112308.db2.gz HSNOYUFFMZBWBH-NWDGAFQWSA-N -2 0 306.318 1.319 20 0 DDADRL Cc1cc([O-])c(C(=O)C=Cc2ccc([O-])c([N+](=O)[O-])c2)c(=O)o1 ZINC000028911382 696107649 /nfs/dbraw/zinc/10/76/49/696107649.db2.gz ODWAOMPFVIDSDT-LYKUJDHUSA-N -2 0 317.253 1.529 20 0 DDADRL O=C([O-])/C=C/c1cnc(/C=C/c2cn(CC(=O)[O-])nn2)s1 ZINC000759083159 700736516 /nfs/dbraw/zinc/73/65/16/700736516.db2.gz HLPYCCKQJIZOIQ-ZPUQHVIOSA-N -2 0 306.303 1.087 20 0 DDADRL O=C(c1cccc(Cl)c1[O-])N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000839758655 701813096 /nfs/dbraw/zinc/81/30/96/701813096.db2.gz PQVNFXYNXNJRGQ-MRVPVSSYSA-N -2 0 322.752 1.889 20 0 DDADRL C[C@@H](CF)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-][C@@H](C)CF ZINC000817126770 702279563 /nfs/dbraw/zinc/27/95/63/702279563.db2.gz HFOYRUSWDFITQN-WDSKDSINSA-N -2 0 308.222 1.205 20 0 DDADRL CC(C)=CCSC[C@H](NS(=O)(=O)C(F)F)C(=O)[O-] ZINC000817419464 702376029 /nfs/dbraw/zinc/37/60/29/702376029.db2.gz BAGJOZCBPUSFKZ-ZETCQYMHSA-N -2 0 303.352 1.281 20 0 DDADRL O=C([O-])C1CCC(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CC1 ZINC000851693653 703831677 /nfs/dbraw/zinc/83/16/77/703831677.db2.gz OFSIBJAILDYHAO-ILDUYXDCSA-N -2 0 322.365 1.107 20 0 DDADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000863953477 706045428 /nfs/dbraw/zinc/04/54/28/706045428.db2.gz PVEUJRIPXHRGJO-SNVBAGLBSA-N -2 0 321.301 1.127 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cn1 ZINC000863955089 706045822 /nfs/dbraw/zinc/04/58/22/706045822.db2.gz ZBYVCRRVQQPZCM-SECBINFHSA-N -2 0 314.363 1.276 20 0 DDADRL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000863956077 706046111 /nfs/dbraw/zinc/04/61/11/706046111.db2.gz IPNYTGBAGVROEH-UHFFFAOYSA-N -2 0 321.301 1.022 20 0 DDADRL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)c1 ZINC000863955989 706046354 /nfs/dbraw/zinc/04/63/54/706046354.db2.gz BNKAGAGQRQZKHX-UHFFFAOYSA-N -2 0 315.322 1.194 20 0 DDADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CC2CCC1CC2)C1CC1 ZINC000863963932 706047500 /nfs/dbraw/zinc/04/75/00/706047500.db2.gz KQIBHLPYEDTFEI-FZOPHOIVSA-N -2 0 315.391 1.122 20 0 DDADRL CCc1csc(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])n1 ZINC000863963814 706047523 /nfs/dbraw/zinc/04/75/23/706047523.db2.gz HTBRCGAPARBXTL-UHFFFAOYSA-N -2 0 320.392 1.155 20 0 DDADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(C)[C@H](C)C(=O)[O-])n2)c1 ZINC000908983499 712908457 /nfs/dbraw/zinc/90/84/57/712908457.db2.gz CTAADAFXCBRMCE-SECBINFHSA-N -2 0 321.308 1.571 20 0 DDADRL CSCC1(CC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])CC1 ZINC000910184639 709801405 /nfs/dbraw/zinc/80/14/05/709801405.db2.gz QWRXFPUYQALQRE-NXEZZACHSA-N -2 0 315.391 1.296 20 0 DDADRL C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccsc1 ZINC000910192502 709805586 /nfs/dbraw/zinc/80/55/86/709805586.db2.gz SANPKIAAWNVSQE-IQJOONFLSA-N -2 0 311.359 1.628 20 0 DDADRL CC[C@H](CS(=O)(=O)[N-]c1cc(C(C)=O)cc(F)c1[O-])OC ZINC000901953220 710183651 /nfs/dbraw/zinc/18/36/51/710183651.db2.gz VCIMWFPPZCSHME-SNVBAGLBSA-N -2 0 319.354 1.901 20 0 DDADRL C[C@H]1CN(C(=O)Cc2ccccc2C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000902174862 710648515 /nfs/dbraw/zinc/64/85/15/710648515.db2.gz AJJYUCDJTMOIML-CMPLNLGQSA-N -2 0 305.330 1.497 20 0 DDADRL COc1cncc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n1 ZINC001184662835 744080014 /nfs/dbraw/zinc/08/00/14/744080014.db2.gz CLVICDKZBIWKDJ-UHFFFAOYSA-N -2 0 323.330 1.293 20 0 DDADRL CSc1ccc(NC(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001188120234 744662457 /nfs/dbraw/zinc/66/24/57/744662457.db2.gz JMQUUGTXCJWYFA-UHFFFAOYSA-N -2 0 306.280 1.639 20 0 DDADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CCc2[nH]ccc2C1 ZINC001189886253 745041887 /nfs/dbraw/zinc/04/18/87/745041887.db2.gz CROSLAKUWSBSDY-UHFFFAOYSA-N -2 0 322.257 1.685 20 0 DDADRL O=P([O-])([O-])OCCNc1cc(Cl)nc2cccnc21 ZINC001168590253 751208380 /nfs/dbraw/zinc/20/83/80/751208380.db2.gz YAUKGQSAMSSORP-UHFFFAOYSA-N -2 0 303.642 1.804 20 0 DDADRL C[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000820621515 758117044 /nfs/dbraw/zinc/11/70/44/758117044.db2.gz WCNJCDVYVSZMSF-XBFCOCLRSA-N -2 0 319.357 1.642 20 0 DDADRL CCCC=CNc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001210059724 875214512 /nfs/dbraw/zinc/21/45/12/875214512.db2.gz DNSAFKZOPAZVGN-QPJJXVBHSA-N -2 0 321.376 1.906 20 0 DDADRL CC[C@H](C)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227760098 883158901 /nfs/dbraw/zinc/15/89/01/883158901.db2.gz PNIARNUTJRUJEE-CHIMOYNISA-N -2 0 324.329 1.642 20 0 DDADRL O=C([O-])C[C@@H](C(=O)Oc1cccc2sccc21)[C@@H](O)C(=O)[O-] ZINC001230214571 884376833 /nfs/dbraw/zinc/37/68/33/884376833.db2.gz UJJLWAXWHCNMCZ-PRHODGIISA-N -2 0 324.310 1.343 20 0 DDADRL CC(C)(O)Cn1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cn1 ZINC001240185711 890844539 /nfs/dbraw/zinc/84/45/39/890844539.db2.gz UEZOFPBHVPSYMW-UHFFFAOYSA-N -2 0 304.302 1.717 20 0 DDADRL O=C([O-])c1cncc(-c2cc(C(F)(F)F)c(C(=O)[O-])nn2)c1 ZINC001241801966 891271957 /nfs/dbraw/zinc/27/19/57/891271957.db2.gz DPYPTLXVMWBWFX-UHFFFAOYSA-N -2 0 313.191 1.954 20 0 DDADRL NS(=O)(=O)c1ccccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242162603 891355499 /nfs/dbraw/zinc/35/54/99/891355499.db2.gz YBQWIHGPWNQHGQ-UHFFFAOYSA-N -2 0 321.310 1.397 20 0 DDADRL CNC(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001242163007 891356019 /nfs/dbraw/zinc/35/60/19/891356019.db2.gz ODMRDGFABYKDAI-UHFFFAOYSA-N -2 0 300.270 1.505 20 0 DDADRL CC(C)n1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ncc1=O ZINC001242163860 891358960 /nfs/dbraw/zinc/35/89/60/891358960.db2.gz PEXHURUCKRZSCC-UHFFFAOYSA-N -2 0 302.286 1.888 20 0 DDADRL NC(=O)c1ccc(NS(=O)(=O)CCC(F)(F)F)cc1O ZINC001259873132 898882349 /nfs/dbraw/zinc/88/23/49/898882349.db2.gz FXFKSLYRTBZDBN-UHFFFAOYSA-N -2 0 312.269 1.185 20 0 DDADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc([O-])c(F)c(F)c1 ZINC001261029532 899332128 /nfs/dbraw/zinc/33/21/28/899332128.db2.gz BDXBACQJXBJCCS-UHFFFAOYSA-N -2 0 303.290 1.811 20 0 DDADRL Cn1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])n1 ZINC000349264288 283886415 /nfs/dbraw/zinc/88/64/15/283886415.db2.gz ZRQAZVDELNWEKA-UHFFFAOYSA-N -2 0 317.273 1.197 20 0 DDADRL CN(Cc1ccccc1)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000275190696 212184157 /nfs/dbraw/zinc/18/41/57/212184157.db2.gz XTBJKOWFGHCZRS-OLZOCXBDSA-N -2 0 320.345 1.346 20 0 DDADRL O=C([O-])CC1(NS(=O)(=O)c2cccnc2Cl)CCC1 ZINC000094291210 193356406 /nfs/dbraw/zinc/35/64/06/193356406.db2.gz JYVVKSIWUVWFBE-UHFFFAOYSA-N -2 0 304.755 1.411 20 0 DDADRL O=C(c1c([O-])cccc1F)N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000333612622 249042655 /nfs/dbraw/zinc/04/26/55/249042655.db2.gz YFAJZIMDAMYGDF-SECBINFHSA-N -2 0 306.297 1.722 20 0 DDADRL CC(C)[C@H](C(=O)[O-])C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000567877990 304250855 /nfs/dbraw/zinc/25/08/55/304250855.db2.gz YAKTWBSMNVCOMO-RDBSUJKOSA-N -2 0 319.357 1.670 20 0 DDADRL C[C@@H]1CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC000570277029 304403748 /nfs/dbraw/zinc/40/37/48/304403748.db2.gz USHXHRRFUFFQIW-ZWNOBZJWSA-N -2 0 320.345 1.637 20 0 DDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000037730377 406993209 /nfs/dbraw/zinc/99/32/09/406993209.db2.gz FAOXCIFITRFXOW-UHFFFAOYSA-N -2 0 315.738 1.871 20 0 DDADRL CCOCCS(=O)(=O)Nc1c(Cl)cccc1C(=O)[O-] ZINC000230027481 407679045 /nfs/dbraw/zinc/67/90/45/407679045.db2.gz GXRILBLVCISGEW-UHFFFAOYSA-N -2 0 307.755 1.816 20 0 DDADRL CCCc1sc(C(=O)N=c2ncn(CC(=O)[O-])[n-]2)cc1CC ZINC000647780553 423044724 /nfs/dbraw/zinc/04/47/24/423044724.db2.gz CROIDJLTGHIPHJ-UHFFFAOYSA-N -2 0 322.390 1.613 20 0 DDADRL Cc1cc([N-]S(=O)(=O)c2cnc3n2CCC3)ccc1C(=O)[O-] ZINC000361997158 418736460 /nfs/dbraw/zinc/73/64/60/418736460.db2.gz SMOOWBOJDZPFES-UHFFFAOYSA-N -2 0 321.358 1.637 20 0 DDADRL CCn1cncc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000548527377 421448276 /nfs/dbraw/zinc/44/82/76/421448276.db2.gz YJNCSDVYNIVOLN-UHFFFAOYSA-N -2 0 309.347 1.331 20 0 DDADRL CC(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000563068554 421450939 /nfs/dbraw/zinc/45/09/39/421450939.db2.gz OASGGPNRRBYVNQ-BXKDBHETSA-N -2 0 317.363 1.317 20 0 DDADRL Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c[nH]c1=O ZINC000535233520 421701395 /nfs/dbraw/zinc/70/13/95/421701395.db2.gz IVPHXXMJROGNPY-UHFFFAOYSA-N -2 0 324.314 1.300 20 0 DDADRL C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000578135448 422506748 /nfs/dbraw/zinc/50/67/48/422506748.db2.gz FWQWIJFBHBSUTN-CPCISQLKSA-N -2 0 301.320 1.010 20 0 DDADRL O=C([O-])CCCCCNC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659404898 423806145 /nfs/dbraw/zinc/80/61/45/423806145.db2.gz HBGPYIBEFRQZQH-UHFFFAOYSA-N -2 0 314.382 1.918 20 0 DDADRL O=C([O-])c1cccc(CNC(=O)NCC2(C(=O)[O-])CCC2)c1 ZINC000659408457 423808882 /nfs/dbraw/zinc/80/88/82/423808882.db2.gz UJNVVJDLJLXVHW-UHFFFAOYSA-N -2 0 306.318 1.439 20 0 DDADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000659763131 424232812 /nfs/dbraw/zinc/23/28/12/424232812.db2.gz CKWSZAMEQITNBS-JQWIXIFHSA-N -2 0 321.329 1.333 20 0 DDADRL CC(C)[C@H](CNC(=O)NCc1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC000655880724 424690709 /nfs/dbraw/zinc/69/07/09/424690709.db2.gz YBCRYDFXAZKZRI-LBPRGKRZSA-N -2 0 308.334 1.541 20 0 DDADRL CCn1cncc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000548193380 303576302 /nfs/dbraw/zinc/57/63/02/303576302.db2.gz AASADDQWHUEZRB-UHFFFAOYSA-N -2 0 313.310 1.541 20 0 DDADRL Cc1cn(C)nc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000663263971 484772165 /nfs/dbraw/zinc/77/21/65/484772165.db2.gz FWKGFODOPDNRSP-UHFFFAOYSA-N -2 0 323.374 1.844 20 0 DDADRL O=C([O-])C[C@@H]1CCCN(C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000666566699 485274904 /nfs/dbraw/zinc/27/49/04/485274904.db2.gz CERXGOTXGUJSSE-LBPRGKRZSA-N -2 0 320.345 1.781 20 0 DDADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)CC(C)(C)NC(=O)[O-] ZINC000739301565 603162010 /nfs/dbraw/zinc/16/20/10/603162010.db2.gz OFOKIAXBWAERJT-SECBINFHSA-N -2 0 308.400 1.305 20 0 DDADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)cc1 ZINC000821544355 598160324 /nfs/dbraw/zinc/16/03/24/598160324.db2.gz OJSHYMBERBCRJH-UHFFFAOYSA-N -2 0 311.359 1.777 20 0 DDADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2cccc(F)c2)n1 ZINC000040162411 600051021 /nfs/dbraw/zinc/05/10/21/600051021.db2.gz IJKATYKGVMIFOJ-UHFFFAOYSA-N -2 0 316.335 1.710 20 0 DDADRL CC(=O)c1cccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])c1 ZINC000736195197 600228827 /nfs/dbraw/zinc/22/88/27/600228827.db2.gz CSTIVRHXCAWKMO-UHFFFAOYSA-N -2 0 323.330 1.420 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(F)cc2C)c1C(=O)[O-] ZINC000738401928 600230428 /nfs/dbraw/zinc/23/04/28/600230428.db2.gz LBFUFCNKLUNUGP-UHFFFAOYSA-N -2 0 313.310 1.665 20 0 DDADRL O=C([O-])CCCS(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000739694939 600246359 /nfs/dbraw/zinc/24/63/59/600246359.db2.gz FXEAYDPPBOCYAQ-UHFFFAOYSA-N -2 0 305.283 1.130 20 0 DDADRL CC(C)=C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1(C)C ZINC000736343396 600463872 /nfs/dbraw/zinc/46/38/72/600463872.db2.gz BWBUTTUSJVGSLN-ZYHUDNBSSA-N -2 0 317.407 1.536 20 0 DDADRL Cc1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1Cl ZINC000738513321 600465599 /nfs/dbraw/zinc/46/55/99/600465599.db2.gz IVEQQSNDKKXSFX-UHFFFAOYSA-N -2 0 319.766 1.573 20 0 DDADRL Cc1ccc(-n2[n-]c(C(=O)NCCCCC(=O)[O-])cc2=O)cc1 ZINC000773219626 600836808 /nfs/dbraw/zinc/83/68/08/600836808.db2.gz DRKXOABERFOWML-UHFFFAOYSA-N -2 0 317.345 1.459 20 0 DDADRL CSc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1 ZINC000832781705 600979028 /nfs/dbraw/zinc/97/90/28/600979028.db2.gz ZVDLHTHLPJYPDG-UHFFFAOYSA-N -2 0 313.360 1.631 20 0 DDADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC000079705409 600981755 /nfs/dbraw/zinc/98/17/55/600981755.db2.gz JDKLVAOYPIGGJB-UHFFFAOYSA-N -2 0 313.722 1.629 20 0 DDADRL CC1(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CCC1 ZINC000827976117 601142006 /nfs/dbraw/zinc/14/20/06/601142006.db2.gz JJCRHEYHXIZGFM-UHFFFAOYSA-N -2 0 311.359 1.521 20 0 DDADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000828858946 601239929 /nfs/dbraw/zinc/23/99/29/601239929.db2.gz IPGQSWJVCMPBFY-NEPJUHHUSA-N -2 0 319.423 1.760 20 0 DDADRL CCOc1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1 ZINC000830104307 601362215 /nfs/dbraw/zinc/36/22/15/601362215.db2.gz FNIHMUFSRPNHLD-UHFFFAOYSA-N -2 0 311.319 1.307 20 0 DDADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc(C(C)C)on2)c1C(=O)[O-] ZINC000832990829 601363083 /nfs/dbraw/zinc/36/30/83/601363083.db2.gz IODNVCRUYJRHGD-UHFFFAOYSA-N -2 0 314.323 1.329 20 0 DDADRL O=C([O-])[C@H](NC(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1)C1CC1 ZINC000833126178 601758571 /nfs/dbraw/zinc/75/85/71/601758571.db2.gz ZFZNGWPEQOIJDC-SNVBAGLBSA-N -2 0 319.342 1.217 20 0 DDADRL Cc1n[n-]c(=NC(=O)NCCCCCCCC(=O)[O-])s1 ZINC000403049221 601857871 /nfs/dbraw/zinc/85/78/71/601857871.db2.gz ZBTWYOBRRBAVHA-UHFFFAOYSA-N -2 0 300.384 1.815 20 0 DDADRL Cn1c(Cl)ncc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000758171644 601861344 /nfs/dbraw/zinc/86/13/44/601861344.db2.gz WPMQLGRZLPTDPU-UHFFFAOYSA-N -2 0 315.738 1.573 20 0 DDADRL C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NCc1ccc(O)c(F)c1 ZINC000739151586 602921709 /nfs/dbraw/zinc/92/17/09/602921709.db2.gz FGFPDBIHDBQGME-SECBINFHSA-N -2 0 311.313 1.425 20 0 DDADRL C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)[N-]OCc1ccccc1 ZINC000739197507 603113242 /nfs/dbraw/zinc/11/32/42/603113242.db2.gz AFXKZQZUWUBUPV-ZYHUDNBSSA-N -2 0 308.334 1.738 20 0 DDADRL O=C([O-])Nc1ccc(C(=O)NCC2(O)CCCCC2)c(O)c1 ZINC000832832891 603926476 /nfs/dbraw/zinc/92/64/76/603926476.db2.gz CORKJVCWQZHGSE-UHFFFAOYSA-N -2 0 308.334 1.907 20 0 DDADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccsc2)C1 ZINC000833184829 604413510 /nfs/dbraw/zinc/41/35/10/604413510.db2.gz UOJPEBRQOFPKMV-RKDXNWHRSA-N -2 0 317.388 1.444 20 0 DDADRL O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)Nc1cccc(Cl)c1[O-] ZINC000834055122 605540194 /nfs/dbraw/zinc/54/01/94/605540194.db2.gz ZEOOBUIUVDHGEK-IMTBSYHQSA-N -2 0 300.698 1.097 20 0 DDADRL O=C([O-])N1CC(CNS(=O)(=O)c2cc3ccccc3o2)C1 ZINC000834068691 605727174 /nfs/dbraw/zinc/72/71/74/605727174.db2.gz IAQXINIMPSJRHM-UHFFFAOYSA-N -2 0 310.331 1.321 20 0 DDADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])C1 ZINC000834162256 606031476 /nfs/dbraw/zinc/03/14/76/606031476.db2.gz BZAWLXCEPRDWNR-YYHQMBLXSA-N -2 0 324.377 1.667 20 0 DDADRL O=C([O-])Cc1ccccc1NC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000834066924 606052510 /nfs/dbraw/zinc/05/25/10/606052510.db2.gz BWZNUBCKFQKMNV-NSHDSACASA-N -2 0 306.318 1.785 20 0 DDADRL O=C([O-])NCCCC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000834229544 606053033 /nfs/dbraw/zinc/05/30/33/606053033.db2.gz MCSONZYJAXNWBT-ZDUSSCGKSA-N -2 0 306.318 1.245 20 0 DDADRL O=C([O-])COc1cccc(NC(=O)[C@@H]2CCCCN2C(=O)[O-])c1 ZINC000834064924 606056262 /nfs/dbraw/zinc/05/62/62/606056262.db2.gz GJVQPRBRWATHOD-LBPRGKRZSA-N -2 0 322.317 1.621 20 0 DDADRL O=C([O-])N[C@H](CC(=O)NCC1(C(=O)[O-])CCC1)c1ccccc1 ZINC000834125752 606063893 /nfs/dbraw/zinc/06/38/93/606063893.db2.gz SVGHNZHYTDSUGC-GFCCVEGCSA-N -2 0 320.345 1.757 20 0 DDADRL O=C([O-])Nc1ccc(CC(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000834256850 606065899 /nfs/dbraw/zinc/06/58/99/606065899.db2.gz VFWKNZXWSPNCAZ-AWEZNQCLSA-N -2 0 310.281 1.344 20 0 DDADRL O=C([O-])NCCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000834227944 606067162 /nfs/dbraw/zinc/06/71/62/606067162.db2.gz UMHXLGBBAYIYPE-SNVBAGLBSA-N -2 0 300.698 1.240 20 0 DDADRL O=C([O-])NCCCC(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000834230184 606071739 /nfs/dbraw/zinc/07/17/39/606071739.db2.gz RVCZHFDBEYNHDR-MNOVXSKESA-N -2 0 300.355 1.574 20 0 DDADRL CC(=O)[N-][N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000190184682 697584829 /nfs/dbraw/zinc/58/48/29/697584829.db2.gz FAXOSYGAJCEHPN-UHFFFAOYSA-N -2 0 301.126 1.462 20 0 DDADRL CS[C@H]1CC[C@H](NS(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000235126038 697792744 /nfs/dbraw/zinc/79/27/44/697792744.db2.gz JGMJABKCEOJKGY-BQBZGAKWSA-N -2 0 322.433 1.404 20 0 DDADRL O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1nnc2ccccc2c1O ZINC000823382707 705227486 /nfs/dbraw/zinc/22/74/86/705227486.db2.gz NDAGEGWVJOSYJA-ZJUUUORDSA-N -2 0 301.302 1.319 20 0 DDADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)CC2CCCCC2)CCC1 ZINC000863954165 706045361 /nfs/dbraw/zinc/04/53/61/706045361.db2.gz PJGALUARZYDUMN-UHFFFAOYSA-N -2 0 303.380 1.268 20 0 DDADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC=CC1 ZINC000863954831 706045826 /nfs/dbraw/zinc/04/58/26/706045826.db2.gz OEAUTSXTIZIANL-JTQLQIEISA-N -2 0 303.380 1.290 20 0 DDADRL Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)c1 ZINC000863959880 706046694 /nfs/dbraw/zinc/04/66/94/706046694.db2.gz QPRBJNGXXAGHMO-GFCCVEGCSA-N -2 0 313.375 1.298 20 0 DDADRL O=C([O-])[C@]1(NC(=O)c2ccc(C(F)(F)F)cc2O)CCOC1 ZINC000909377054 713003888 /nfs/dbraw/zinc/00/38/88/713003888.db2.gz JXPLYUKEMFTPNK-LBPRGKRZSA-N -2 0 319.235 1.385 20 0 DDADRL CCc1cccc(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910183891 709800785 /nfs/dbraw/zinc/80/07/85/709800785.db2.gz OSQPYQMDHJNRFU-UONOGXRCSA-N -2 0 319.357 1.568 20 0 DDADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc(Cl)s2)C1 ZINC000910184968 709801520 /nfs/dbraw/zinc/80/15/20/709801520.db2.gz HIOYBTAULCFBDQ-RNFRBKRXSA-N -2 0 317.750 1.792 20 0 DDADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(F)ccc2F)C1 ZINC000910186608 709802633 /nfs/dbraw/zinc/80/26/33/709802633.db2.gz SITPOSXRWBVXRS-HQJQHLMTSA-N -2 0 313.256 1.355 20 0 DDADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)CCC3)C1 ZINC000910190618 709804444 /nfs/dbraw/zinc/80/44/44/709804444.db2.gz AOGFBIJEEHYYLZ-KBPBESRZSA-N -2 0 317.341 1.565 20 0 DDADRL CO[C@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)[C@@](C)(C(=O)[O-])C1 ZINC000910260848 709845339 /nfs/dbraw/zinc/84/53/39/709845339.db2.gz AODKUOLCBQSQTM-YMTOWFKASA-N -2 0 313.737 1.750 20 0 DDADRL O=C([O-])[C@@H](CC1CCOCC1)NC(=O)c1ccc(O)c(F)c1 ZINC000910454878 709951401 /nfs/dbraw/zinc/95/14/01/709951401.db2.gz WACQMRVMIVBJAB-GFCCVEGCSA-N -2 0 311.309 1.531 20 0 DDADRL Cc1cc(C)cc(CS(=O)(=O)[N-]CC(F)(F)C(=O)[O-])c1 ZINC000905998791 712215839 /nfs/dbraw/zinc/21/58/39/712215839.db2.gz DIPSPECYVDWWKW-UHFFFAOYSA-N -2 0 307.318 1.443 20 0 DDADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000906000361 712216808 /nfs/dbraw/zinc/21/68/08/712216808.db2.gz VZDVRABVVMQQLJ-UHFFFAOYSA-N -2 0 317.313 1.613 20 0 DDADRL C[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2[O-])[C@@H]1C(=O)[O-] ZINC000906788739 712411854 /nfs/dbraw/zinc/41/18/54/712411854.db2.gz MGAXYRHWDBBNOI-XVKPBYJWSA-N -2 0 319.766 1.529 20 0 DDADRL COc1cc(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])cc(OC)c1O ZINC000923150081 714255653 /nfs/dbraw/zinc/25/56/53/714255653.db2.gz QAPRVJMFNOKRMS-HWPZZCPQSA-N -2 0 321.329 1.489 20 0 DDADRL