smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)NCCC[C@H](NC(=O)Cn1ccc2c1cccc2Br)C(=O)[O-] ZINC000040309941 526936391 /nfs/dbraw/zinc/93/63/91/526936391.db2.gz CLLBECDYDDIVMP-LBPRGKRZSA-N -1 0 411.256 1.422 50 0 biogenic HDAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(-n3nnc(C(=O)OC)c3C(=O)OC)cc21 ZINC000000721123 557070642 /nfs/dbraw/zinc/07/06/42/557070642.db2.gz HUDGXJPIRKMYTF-UHFFFAOYSA-N -1 0 418.337 1.013 50 0 HDAARM C[C@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000004762676 557595675 /nfs/dbraw/zinc/59/56/75/557595675.db2.gz UEAPJHKMJTZURQ-WBAXXEDZSA-N -1 0 400.431 1.474 50 0 HDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000006645550 557711913 /nfs/dbraw/zinc/71/19/13/557711913.db2.gz XGOCHUKYYYWSHI-MJGOQNOKSA-N -1 0 416.499 1.899 50 0 HDAARM Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])CC2)c1 ZINC000006741135 557718459 /nfs/dbraw/zinc/71/84/59/557718459.db2.gz CULVBXDNGNCMOW-DLBZAZTESA-N -1 0 406.504 1.803 50 0 HDAARM CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2C(=O)OC)c1 ZINC000019898772 558304575 /nfs/dbraw/zinc/30/45/75/558304575.db2.gz XCFRCIMMEYQNDM-UHFFFAOYSA-N -1 0 417.447 1.956 50 0 HDAARM CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccccc1C(=O)[O-] ZINC000010676663 558344348 /nfs/dbraw/zinc/34/43/48/558344348.db2.gz PAWXDSWNXLSJAL-UHFFFAOYSA-N -1 0 405.480 1.559 50 0 HDAARM CC(NCCCN1CCOCC1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000020267005 558352816 /nfs/dbraw/zinc/35/28/16/558352816.db2.gz WLSUUKMMDIEGNZ-DTQAZKPQSA-N -1 0 406.870 1.509 50 0 HDAARM O=C([O-])CNC(=O)CNC(=O)Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1 ZINC000020744431 558409030 /nfs/dbraw/zinc/40/90/30/558409030.db2.gz LVXRYUYHCYZIDI-UHFFFAOYSA-N -1 0 417.365 1.568 50 0 HDAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 ZINC000012557154 558427313 /nfs/dbraw/zinc/42/73/13/558427313.db2.gz MDJMHMVNDSAHFQ-UHFFFAOYSA-N -1 0 407.400 1.847 50 0 HDAARM Cn1c(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2[n-]c1=S ZINC000021916122 558455370 /nfs/dbraw/zinc/45/53/70/558455370.db2.gz CSWNUYROMFKPNN-UHFFFAOYSA-N -1 0 408.483 1.820 50 0 HDAARM CC(=O)c1cc2c(cc1[N-]S(=O)(=O)c1cc3c(cc1C)n(C)c(=O)n3C)OCO2 ZINC000004411761 558514905 /nfs/dbraw/zinc/51/49/05/558514905.db2.gz OJGSCPFRJRIFSE-UHFFFAOYSA-N -1 0 417.443 1.918 50 0 HDAARM COCCn1c2nnc(-c3ccc(Br)cc3)n2c2c1c(=O)nc([O-])n2C ZINC000010967578 558618824 /nfs/dbraw/zinc/61/88/24/558618824.db2.gz XJWKBSADFYNDBD-UHFFFAOYSA-N -1 0 419.239 1.559 50 0 HDAARM O=C([O-])CN1C(=O)COc2ccc(S(=O)(=O)N3CCCc4cccc(F)c43)cc21 ZINC000026537903 558662767 /nfs/dbraw/zinc/66/27/67/558662767.db2.gz BVZWJXSMHNCNQP-UHFFFAOYSA-N -1 0 420.418 1.777 50 0 HDAARM O=C([O-])COCC(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000017082835 558815126 /nfs/dbraw/zinc/81/51/26/558815126.db2.gz FHQGRHIHJFYHNQ-UHFFFAOYSA-N -1 0 404.444 1.868 50 0 HDAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000017089285 558818006 /nfs/dbraw/zinc/81/80/06/558818006.db2.gz YZJWNMTVSLCDMH-BGHVQYPCSA-N -1 0 412.533 1.718 50 0 HDAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000017089286 558818008 /nfs/dbraw/zinc/81/80/08/558818008.db2.gz YZJWNMTVSLCDMH-BCAXMMLOSA-N -1 0 412.533 1.718 50 0 HDAARM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1 ZINC000049544131 558850020 /nfs/dbraw/zinc/85/00/20/558850020.db2.gz BDDSVEKNWOAUFL-UHFFFAOYSA-N -1 0 410.882 1.636 50 0 HDAARM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C ZINC000055104297 558872623 /nfs/dbraw/zinc/87/26/23/558872623.db2.gz JQXQLXARKKXKOK-UHFFFAOYSA-N -1 0 403.460 1.827 50 0 HDAARM O=C([O-])c1cc(-n2ccc(-c3cnccn3)n2)cc(S(=O)(=O)N2CCOCC2)c1 ZINC000071750275 558909102 /nfs/dbraw/zinc/90/91/02/558909102.db2.gz SHPYMJJSOPAYDD-UHFFFAOYSA-N -1 0 415.431 1.048 50 0 HDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CCn2c3ccccc3oc2=O)cc1 ZINC000334160682 558980068 /nfs/dbraw/zinc/98/00/68/558980068.db2.gz JRZQUNUFKLEJAO-UHFFFAOYSA-N -1 0 403.416 1.448 50 0 HDAARM COc1ccc([C@@H](c2sc3ncnn3c2[O-])N2CCN(CCO)CC2)cc1OC ZINC000022031196 558985380 /nfs/dbraw/zinc/98/53/80/558985380.db2.gz SLTVOZKWVOFOBK-INIZCTEOSA-N -1 0 419.507 1.213 50 0 HDAARM CN1C[C@@H](C(=O)N2CCc3c(c(C(=O)[O-])nn3CCCc3ccccc3)C2)CC1=O ZINC000067691246 558991438 /nfs/dbraw/zinc/99/14/38/558991438.db2.gz CZKVQHRBJJLHTG-INIZCTEOSA-N -1 0 410.474 1.577 50 0 HDAARM CCc1ccc(NC(=O)NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1 ZINC000100034087 559129020 /nfs/dbraw/zinc/12/90/20/559129020.db2.gz GIVPNWVZJVPCQT-ROUUACIJSA-N -1 0 420.429 1.891 50 0 HDAARM COc1ccc(-c2nc(S[C@@H](C)C(=O)[O-])c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000004960348 559216940 /nfs/dbraw/zinc/21/69/40/559216940.db2.gz APWVUNVUVIFJOU-VIFPVBQESA-N -1 0 402.432 1.268 50 0 HDAARM CC[C@@H](Sc1nc(-c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000004960354 559217070 /nfs/dbraw/zinc/21/70/70/559217070.db2.gz VIDFOAUYKYKLDX-GFCCVEGCSA-N -1 0 416.459 1.658 50 0 HDAARM CCOc1ccc(C(=O)Nc2c(N)nc(SCC(=O)N(CC)CC)[n-]c2=O)cc1 ZINC000005082034 559242724 /nfs/dbraw/zinc/24/27/24/559242724.db2.gz YMSCLDBEPDRPEW-UHFFFAOYSA-N -1 0 419.507 1.964 50 0 HDAARM COCCC1(C(=O)[N-]S(=O)(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC000252491653 559277655 /nfs/dbraw/zinc/27/76/55/559277655.db2.gz LPOYZIHMNNIBEG-UHFFFAOYSA-N -1 0 424.928 1.212 50 0 HDAARM COc1ccc2cnn(CC(=O)NCC3(CC(=O)[O-])CCCCC3)c(=O)c2c1OC ZINC000061720114 560536345 /nfs/dbraw/zinc/53/63/45/560536345.db2.gz ZCRBJKQLVUOKIJ-UHFFFAOYSA-N -1 0 417.462 1.955 50 0 HDAARM CCc1ccc2nc(NC(=O)c3c(C)[n-]n([C@@H]4CCS(=O)(=O)C4)c3=O)sc2c1 ZINC000101186890 560788964 /nfs/dbraw/zinc/78/89/64/560788964.db2.gz GJDWADIWXQMYOF-DOMZBBRYSA-N -1 0 420.516 1.819 50 0 HDAARM COC(=O)c1ccc(OC)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)cc4)c(=O)c2=3)c1 ZINC000101418015 560794805 /nfs/dbraw/zinc/79/48/05/560794805.db2.gz GOPDGSUGORSHJQ-MSOLQXFVSA-N -1 0 424.413 1.984 50 0 HDAARM CCCCn1c([O-])c(C2=NN[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c(=O)[nH]c1=O ZINC000101761909 560800263 /nfs/dbraw/zinc/80/02/63/560800263.db2.gz LVYBLJSQRNFFFB-LBPRGKRZSA-N -1 0 418.450 1.507 50 0 HDAARM COc1ccc(OC)c([C@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=NN2C(C)=O)c1 ZINC000101764449 560801030 /nfs/dbraw/zinc/80/10/30/560801030.db2.gz IBZVLSSSNVKULC-CYBMUJFWSA-N -1 0 404.448 1.863 50 0 HDAARM Cc1[n-]n(Cc2c(Cl)cccc2Cl)c(=O)c1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000101901841 560803714 /nfs/dbraw/zinc/80/37/14/560803714.db2.gz GWOIKHWXQAUTEJ-HZMBPMFUSA-N -1 0 418.302 1.631 50 0 HDAARM COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](C(=O)[O-])c3ccccc3)n2)cc1OC ZINC000049543845 568451144 /nfs/dbraw/zinc/45/11/44/568451144.db2.gz NCHXXNUOHUYZDK-OAQYLSRUSA-N -1 0 423.425 1.870 50 0 HDAARM CS(=O)(=O)c1ccc(NC(=O)c2nc3n(n2)-c2ccccc2S(=O)(=O)[N-]3)cc1 ZINC000095394486 568604399 /nfs/dbraw/zinc/60/43/99/568604399.db2.gz RNLAOXXPHBOTIJ-UHFFFAOYSA-N -1 0 419.444 1.037 50 0 HDAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)CCOC)cc2)s1 ZINC000225530128 568647749 /nfs/dbraw/zinc/64/77/49/568647749.db2.gz GOXHFLMAUYOTAL-UHFFFAOYSA-N -1 0 406.511 1.289 50 0 HDAARM COC(=O)C[C@H](c1cc(OC)c2c(c1)OCCO2)c1c([O-])nc2ccccn2c1=O ZINC000096115649 568695295 /nfs/dbraw/zinc/69/52/95/568695295.db2.gz KEMDFKTVXUMGII-CYBMUJFWSA-N -1 0 412.398 1.875 50 0 biogenic HDAARM COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)c1c([O-])nc2ccccn2c1=O ZINC000096115650 568695359 /nfs/dbraw/zinc/69/53/59/568695359.db2.gz KEMDFKTVXUMGII-ZDUSSCGKSA-N -1 0 412.398 1.875 50 0 biogenic HDAARM COC(=O)C[C@H](c1coc2ccccc2c1=O)c1c(O)cc(C)n(CC(=O)[O-])c1=O ZINC000096222090 568705527 /nfs/dbraw/zinc/70/55/27/568705527.db2.gz ZUEBFDKYUGLSCW-CYBMUJFWSA-N -1 0 413.382 1.748 50 0 biogenic HDAARM COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc([O-])cc(=O)o2)CC1 ZINC000239367382 568729240 /nfs/dbraw/zinc/72/92/40/568729240.db2.gz AIKYBEVXMDUXDE-KRWDZBQOSA-N -1 0 406.822 1.671 50 0 HDAARM CC(=O)NCCNC(=O)CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3 ZINC000002974383 568832288 /nfs/dbraw/zinc/83/22/88/568832288.db2.gz MNUDVYGZJURASF-UHFFFAOYSA-N -1 0 420.491 1.600 50 0 HDAARM COC(=O)c1[n-]n(-c2ccccc2OC)c2c(O)n(-c3ccccc3OC)c(=O)c1-2 ZINC000004281913 568959090 /nfs/dbraw/zinc/95/90/90/568959090.db2.gz HIZKONXBHJCARZ-WMZOPIPTSA-N -1 0 409.398 1.611 50 0 HDAARM COc1cccc(OC)c1C(=O)O[C@@H](C(=O)OCc1ccccc1)[C@@H](O)C(=O)[O-] ZINC000005721063 569012726 /nfs/dbraw/zinc/01/27/26/569012726.db2.gz QREWVSISTJLCLC-IAGOWNOFSA-N -1 0 404.371 1.418 50 0 HDAARM C[C@H](O)[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)C(=O)[O-] ZINC000012912441 569021927 /nfs/dbraw/zinc/02/19/27/569021927.db2.gz AISFTVSOHWTDBU-XHDPSFHLSA-N -1 0 418.899 1.469 50 0 HDAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cnn2c1OCCC2 ZINC000090583818 569041314 /nfs/dbraw/zinc/04/13/14/569041314.db2.gz XWXPSJVHYBGHFC-UHFFFAOYSA-N -1 0 400.420 1.509 50 0 HDAARM O=C([O-])COc1ccccc1C=NNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000252477947 569059536 /nfs/dbraw/zinc/05/95/36/569059536.db2.gz YIOPOTXRLGOGMB-UHFFFAOYSA-N -1 0 410.474 1.418 50 0 HDAARM CN(C)C(=O)CN1CCN(c2ccc(NC(=O)c3ccccc3)c(C(=O)[O-])c2)CC1 ZINC000064590097 569069087 /nfs/dbraw/zinc/06/90/87/569069087.db2.gz KFEIUOZSWSXZSB-UHFFFAOYSA-N -1 0 410.474 1.847 50 0 HDAARM Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCC(=O)NCC(=O)[O-])c(C)c21 ZINC000006624054 569075432 /nfs/dbraw/zinc/07/54/32/569075432.db2.gz JQDCHFCQLXRBEX-UHFFFAOYSA-N -1 0 400.387 1.324 50 0 biogenic HDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000006677941 569087328 /nfs/dbraw/zinc/08/73/28/569087328.db2.gz LZHJOSWUSFJCEN-AWEZNQCLSA-N -1 0 401.444 1.503 50 0 HDAARM C[NH+]1CCN([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccc(Br)cc23)CC1 ZINC000036353857 569147819 /nfs/dbraw/zinc/14/78/19/569147819.db2.gz CNFTXOHRUSNKEM-MRXNPFEDSA-N -1 0 410.268 1.862 50 0 HDAARM CCOc1ccc(C[N-]S(=O)(=O)c2c(C)nc3sccn3c2=O)cc1OC ZINC000006859675 569157235 /nfs/dbraw/zinc/15/72/35/569157235.db2.gz NENARFOPHOALAF-UHFFFAOYSA-N -1 0 409.489 1.950 50 0 HDAARM C[C@@H](NC(=O)[C@@H](C)NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000006931635 569184377 /nfs/dbraw/zinc/18/43/77/569184377.db2.gz PSAMEINAOGIZIW-VXGBXAGGSA-N -1 0 416.430 1.145 50 0 HDAARM CCc1nn(CC)c(=O)c2cc(S(=O)(=O)[N-]c3ccc(OC)c(OC)c3)cn21 ZINC000065247261 569205783 /nfs/dbraw/zinc/20/57/83/569205783.db2.gz XIZCRSYXQIPGOD-UHFFFAOYSA-N -1 0 406.464 1.896 50 0 HDAARM CSCC[C@@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)c1nc2ccccc2n1C ZINC000526052602 569239751 /nfs/dbraw/zinc/23/97/51/569239751.db2.gz SCCDAKSWPFHWBU-GFCCVEGCSA-N -1 0 402.480 1.713 50 0 HDAARM COC(=O)c1cc(Br)ccc1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000170605273 569244169 /nfs/dbraw/zinc/24/41/69/569244169.db2.gz FWWGXFZNHHWJAE-AWEZNQCLSA-N -1 0 406.254 1.864 50 0 HDAARM Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)[O-] ZINC000003831242 569254795 /nfs/dbraw/zinc/25/47/95/569254795.db2.gz UWYHMGVUTGAWSP-VBQJREDUSA-N -1 0 401.444 1.895 50 0 HDAARM C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000012888204 569404593 /nfs/dbraw/zinc/40/45/93/569404593.db2.gz GYOJIGOZFOQNOB-KPZWWZAWSA-N -1 0 420.425 1.544 50 0 biogenic HDAARM O=C([O-])c1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccsc3)CC2)cc1 ZINC000012941051 569405149 /nfs/dbraw/zinc/40/51/49/569405149.db2.gz NAESXFRPKPMZHP-UHFFFAOYSA-N -1 0 408.501 1.912 50 0 HDAARM CC(=O)N1CCc2ccc(S(=O)(=O)N(CCO)c3ccccc3C(=O)[O-])cc21 ZINC000328596070 569416079 /nfs/dbraw/zinc/41/60/79/569416079.db2.gz QOGXOMZTLRYXEC-UHFFFAOYSA-N -1 0 404.444 1.481 50 0 HDAARM CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3n[nH]c(=O)[n-]3)cc2)cc1 ZINC000078995212 569423112 /nfs/dbraw/zinc/42/31/12/569423112.db2.gz OBCIQZJGJSMIIW-UHFFFAOYSA-N -1 0 417.447 1.228 50 0 HDAARM Cc1ccc([C@H]2NC(=S)N[C@H](c3ccc(C)cc3)C23C(=O)[N-]C(=O)NC3=O)cc1 ZINC000008578693 571082287 /nfs/dbraw/zinc/08/22/87/571082287.db2.gz VHJLSOSHFINRRX-HZPDHXFCSA-N -1 0 408.483 1.916 50 0 HDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O ZINC000008791828 571120221 /nfs/dbraw/zinc/12/02/21/571120221.db2.gz FMSWDQKKHNMTCT-OALUTQOASA-N -1 0 421.453 1.578 50 0 biogenic HDAARM C[C@H](O)[C@H](NC(=O)c1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1)C(=O)[O-] ZINC000009129459 571227307 /nfs/dbraw/zinc/22/73/07/571227307.db2.gz AQQCHNKVQKIQAS-IGNZVWTISA-N -1 0 423.425 1.144 50 0 HDAARM O=C([O-])CNC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O ZINC000009317695 571247765 /nfs/dbraw/zinc/24/77/65/571247765.db2.gz YWBWPEGGIXLBIM-KRWDZBQOSA-N -1 0 406.398 1.156 50 0 biogenic HDAARM COc1ccc(CC[N-]S(=O)(=O)c2c(C)nc3scc(C)n3c2=O)cc1OC ZINC000009606077 571273170 /nfs/dbraw/zinc/27/31/70/571273170.db2.gz AXLPWDUFHGESPL-UHFFFAOYSA-N -1 0 423.516 1.911 50 0 HDAARM COc1ccc2cnn(CC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])c(=O)c2c1OC ZINC000071333809 571292792 /nfs/dbraw/zinc/29/27/92/571292792.db2.gz QSSRPRGOBJUZAI-OAHLLOKOSA-N -1 0 411.414 1.226 50 0 HDAARM CCCc1cnc(N2CCN(C(=O)[N-]S(=O)(=O)c3ccc(C)cc3)CC2)nc1 ZINC000001034278 132235459 /nfs/dbraw/zinc/23/54/59/132235459.db2.gz WRXXPEIPHRRUTD-UHFFFAOYSA-N -1 0 403.508 1.958 50 0 HDAARM CS(=O)(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(Br)cc32)CC1 ZINC000032092239 525176807 /nfs/dbraw/zinc/17/68/07/525176807.db2.gz OGAWKFWBTXQABY-CQSZACIVSA-N -1 0 416.297 1.633 50 0 HDAARM O=C([O-])c1cnc2ccc(S(=O)(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2c1O ZINC000032099721 526341189 /nfs/dbraw/zinc/34/11/89/526341189.db2.gz AJVDANQLGALIDB-UHFFFAOYSA-N -1 0 400.372 1.197 50 0 HDAARM CCC(NCCN1CCOCC1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000001263533 535226328 /nfs/dbraw/zinc/22/63/28/535226328.db2.gz YAVLHGLSHZTZJI-FOCLMDBBSA-N -1 0 406.870 1.509 50 0 HDAARM CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000013592022 535704067 /nfs/dbraw/zinc/70/40/67/535704067.db2.gz KHZHCLGRQPKHJE-ACJLOTCBSA-N -1 0 416.478 1.893 50 0 HDAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCOCC2)cc1 ZINC000000811780 557087879 /nfs/dbraw/zinc/08/78/79/557087879.db2.gz HTLHELSOQKLBET-UHFFFAOYSA-N -1 0 403.460 1.918 50 0 HDAARM CCOC(=O)c1cnc(=NNS(=O)(=O)c2ccc(OC)cc2)[n-]c1C(F)(F)F ZINC000008618122 557797195 /nfs/dbraw/zinc/79/71/95/557797195.db2.gz DORDWMMTMMECNA-UHFFFAOYSA-N -1 0 420.369 1.986 50 0 HDAARM COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@H](CNC(=O)c1n[nH]c(=O)[n-]1)C2 ZINC000012030201 558311125 /nfs/dbraw/zinc/31/11/25/558311125.db2.gz CTFIQWAALKPUTK-ZDUSSCGKSA-N -1 0 408.414 1.594 50 0 HDAARM CN(C)S(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000028255536 558693959 /nfs/dbraw/zinc/69/39/59/558693959.db2.gz LWAUFDPKNNYEKT-UHFFFAOYSA-N -1 0 414.461 1.215 50 0 HDAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000013358462 558827049 /nfs/dbraw/zinc/82/70/49/558827049.db2.gz MIEAMFUSNGGZGP-UHFFFAOYSA-N -1 0 417.443 1.992 50 0 HDAARM CCc1cccc2c1N(S(=O)(=O)c1ccc3c(c1)N(CC(=O)[O-])C(=O)CO3)CC2 ZINC000058180267 558910011 /nfs/dbraw/zinc/91/00/11/558910011.db2.gz SJMFKHDLBDIUDM-UHFFFAOYSA-N -1 0 416.455 1.810 50 0 HDAARM Cc1nnc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@H]2CCOC2)CC3)s1 ZINC000077357589 559002409 /nfs/dbraw/zinc/00/24/09/559002409.db2.gz ZWVRCTYJKAOFRU-ZDUSSCGKSA-N -1 0 408.505 1.569 50 0 HDAARM COc1ccc(-c2nn3c(nc2=O)-c2ccc(F)cc2N2C(=O)CC[C@@]23C(=O)[O-])cc1 ZINC000585157890 559063718 /nfs/dbraw/zinc/06/37/18/559063718.db2.gz DPCMKFMHIYOLPW-OAQYLSRUSA-N -1 0 422.372 1.998 50 0 HDAARM COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)CCCC(=O)[O-])CC1 ZINC000095883542 559088777 /nfs/dbraw/zinc/08/87/77/559088777.db2.gz BJDQXERVJHZBFV-UHFFFAOYSA-N -1 0 404.872 1.436 50 0 HDAARM COC(=O)c1[n-]n(-c2ccc(OC)cc2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2 ZINC000100942964 559142196 /nfs/dbraw/zinc/14/21/96/559142196.db2.gz RQMYNOQGZLVAKN-WMZOPIPTSA-N -1 0 409.398 1.611 50 0 HDAARM COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c(=O)nc2ccccn2c1[O-] ZINC000205957553 559186949 /nfs/dbraw/zinc/18/69/49/559186949.db2.gz AFSAQQUSCGCEHN-LBPRGKRZSA-N -1 0 400.387 1.818 50 0 HDAARM CCC(Nc1ccccc1NC(=O)CCC(=O)[O-])=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000004995838 559225900 /nfs/dbraw/zinc/22/59/00/559225900.db2.gz FXOBCFXSJYOJBS-UHFFFAOYSA-N -1 0 402.407 1.616 50 0 HDAARM COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000011858325 559263111 /nfs/dbraw/zinc/26/31/11/559263111.db2.gz DJGJQOPHMPMOIZ-UHFFFAOYSA-N -1 0 410.473 1.871 50 0 HDAARM NC(=O)COc1ccccc1C1=NO[C@@](CC(=O)[O-])(C(=O)NCc2ccccc2)C1 ZINC000005451104 560590245 /nfs/dbraw/zinc/59/02/45/560590245.db2.gz YAKROWBTPKSFDM-NRFANRHFSA-N -1 0 411.414 1.205 50 0 HDAARM COC(=O)c1[n-]n(C(C)(C)CC(C)=O)c2c(O)n(-c3ccc(OC)cc3)c(=O)c1-2 ZINC000018208647 560784397 /nfs/dbraw/zinc/78/43/97/560784397.db2.gz XFNVKIHFBGLOSW-GDBMZVCRSA-N -1 0 401.419 1.156 50 0 HDAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3cccc(Br)c3)c(=O)c1-2 ZINC000101135862 560788402 /nfs/dbraw/zinc/78/84/02/560788402.db2.gz KSKCWDFGQHXTPN-YPMHNXCESA-N -1 0 408.208 1.088 50 0 HDAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1ccc2c(c1)OCO2 ZINC000101388280 560793995 /nfs/dbraw/zinc/79/39/95/560793995.db2.gz UGWLXVSUNFMQPV-DLBZAZTESA-N -1 0 411.349 1.486 50 0 HDAARM CCCCn1c(=O)[nH]c(=O)c(C2=NN(C(C)=O)[C@@H](c3ccc(OC)cc3)C2)c1[O-] ZINC000101456282 560795406 /nfs/dbraw/zinc/79/54/06/560795406.db2.gz PWTMAOBVTTWPSE-MRXNPFEDSA-N -1 0 400.435 1.749 50 0 HDAARM CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@@H]1c1ccccc1 ZINC000101456647 560795504 /nfs/dbraw/zinc/79/55/04/560795504.db2.gz ZMQPOXUSXMFDSJ-GOSISDBHSA-N -1 0 404.426 1.988 50 0 HDAARM CCCCn1c([O-])c(C2=NN[C@H](c3ccc(OC)c(OC)c3OC)C2)c(=O)[nH]c1=O ZINC000101761918 560800438 /nfs/dbraw/zinc/80/04/38/560800438.db2.gz DUOGZJLFRZXYJP-LBPRGKRZSA-N -1 0 418.450 1.507 50 0 HDAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)N1CCN(c2ccccc2)CC1 ZINC000051330582 560875446 /nfs/dbraw/zinc/87/54/46/560875446.db2.gz ADJGIYKAKRMJPL-UXHICEINSA-N -1 0 418.457 1.329 50 0 HDAARM COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000012201481 560891758 /nfs/dbraw/zinc/89/17/58/560891758.db2.gz AAPMEQZIUXQLKA-UHFFFAOYSA-N -1 0 418.427 1.921 50 0 HDAARM COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](CCSC)C(=O)[O-])n2)c(F)c1 ZINC000049547589 568451626 /nfs/dbraw/zinc/45/16/26/568451626.db2.gz KIUWPJBGYXCILF-HNNXBMFYSA-N -1 0 409.439 1.381 50 0 HDAARM COc1ccc(-c2ccc(=O)n(CC(=O)N3CCC(C(=O)[O-])CC3)n2)cc1OC ZINC000049549671 568451842 /nfs/dbraw/zinc/45/18/42/568451842.db2.gz JURBGZOKWSBTSA-UHFFFAOYSA-N -1 0 401.419 1.251 50 0 HDAARM Cc1cccnc1CN1CCN(C(=O)CC[C@]2(CCC(=O)[O-])CCC(=O)N2)CC1 ZINC000218293168 568477840 /nfs/dbraw/zinc/47/78/40/568477840.db2.gz QJYFAANVJVSXBL-NRFANRHFSA-N -1 0 402.495 1.328 50 0 HDAARM Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCCSCc1c(F)cccc1Cl ZINC000033330746 568514057 /nfs/dbraw/zinc/51/40/57/568514057.db2.gz IULUXDKWUSOQEL-UHFFFAOYSA-N -1 0 407.876 1.376 50 0 HDAARM COC(=O)c1cc(S(=O)(=O)[N-]c2cnnn2C)ccc1I ZINC000225393412 568633619 /nfs/dbraw/zinc/63/36/19/568633619.db2.gz OFYIZRNGGODHOH-UHFFFAOYSA-N -1 0 422.204 1.007 50 0 HDAARM CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O)C(=O)[O-] ZINC000020609966 568636856 /nfs/dbraw/zinc/63/68/56/568636856.db2.gz VJKRTLMTBHGSHQ-WYRIXSBYSA-N -1 0 418.446 1.390 50 0 biogenic HDAARM O=C([N-]S(=O)(=O)c1c(Cl)nc2ccc(Br)cn21)C1CCOCC1 ZINC000225731637 568668798 /nfs/dbraw/zinc/66/87/98/568668798.db2.gz CUVYUIDZPHJUDS-UHFFFAOYSA-N -1 0 422.688 1.982 50 0 HDAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1F ZINC000096013498 568685466 /nfs/dbraw/zinc/68/54/66/568685466.db2.gz VIPMGQPVCDHMET-UHFFFAOYSA-N -1 0 415.468 1.351 50 0 HDAARM CCOC(=O)c1ccc2nc(NC(=O)CSc3nnc(C)c(=O)[n-]3)sc2c1 ZINC000012411154 568714640 /nfs/dbraw/zinc/71/46/40/568714640.db2.gz RVYXZLNCXKMUGX-UHFFFAOYSA-N -1 0 405.461 1.991 50 0 HDAARM COc1cccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(CCO)CC2)c1 ZINC000022459012 568768152 /nfs/dbraw/zinc/76/81/52/568768152.db2.gz WNUSEUJBQKVIKI-MRXNPFEDSA-N -1 0 403.508 1.513 50 0 HDAARM CCc1nc2sc([C@H](c3cccc(OC)c3)N3CCN(CCO)CC3)c([O-])n2n1 ZINC000022578295 568770394 /nfs/dbraw/zinc/77/03/94/568770394.db2.gz LNUWNWVFVMSFSG-KRWDZBQOSA-N -1 0 417.535 1.767 50 0 HDAARM O=C(CCn1cnc2ccccc2c1=O)N[C@@H](CN1C(=O)COC1=O)c1ccccc1 ZINC000225636487 568777768 /nfs/dbraw/zinc/77/77/68/568777768.db2.gz XWWVGBWPZPMYEG-SFHVURJKSA-N -1 0 420.425 1.623 50 0 HDAARM CCn1ncc(Br)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@H]12 ZINC000002747681 568806194 /nfs/dbraw/zinc/80/61/94/568806194.db2.gz QHYWBFAZHAEHPX-AMIZOPFISA-N -1 0 415.269 1.038 50 0 HDAARM CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3c(Cl)c(C(F)(F)F)nn3C)[C@@H]2SC1 ZINC000002783382 568808750 /nfs/dbraw/zinc/80/87/50/568808750.db2.gz KKBZABSAAUWNQE-INWYIAFRSA-N -1 0 424.788 1.464 50 0 HDAARM COCCn1c(=O)c2ccc(C(=O)NCCCN3CCOCC3)cc2[n-]c1=S ZINC000003043733 568848131 /nfs/dbraw/zinc/84/81/31/568848131.db2.gz BPCLWVKMOXYHCS-UHFFFAOYSA-N -1 0 406.508 1.158 50 0 HDAARM CCOC(=O)c1c[nH]c(=O)c([C@H](CC(=O)[O-])c2cc(OC)c3c(c2)OCCO3)c1O ZINC000217787652 568912069 /nfs/dbraw/zinc/91/20/69/568912069.db2.gz NWMOYLGYLSQATK-LLVKDONJSA-N -1 0 419.386 1.644 50 0 biogenic HDAARM CCOC(=O)c1c[nH]c(=O)c([C@@H](CC(=O)[O-])c2cc(OC)c(O)c(OC)c2)c1O ZINC000217878099 568917312 /nfs/dbraw/zinc/91/73/12/568917312.db2.gz WWXNQQCGRHTKAD-JTQLQIEISA-N -1 0 407.375 1.587 50 0 biogenic HDAARM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000012787344 568960575 /nfs/dbraw/zinc/96/05/75/568960575.db2.gz PVJCBPAFEOOOFO-UHFFFAOYSA-N -1 0 410.473 1.935 50 0 HDAARM O=S(=O)(c1ccc2c(c1)S(=O)(=O)[N-]C(c1cccs1)=N2)N1CCOCC1 ZINC000015682399 568968635 /nfs/dbraw/zinc/96/86/35/568968635.db2.gz XTZWYDDEVWHVGA-UHFFFAOYSA-N -1 0 413.502 1.139 50 0 HDAARM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCCCCC(=O)[O-])cc2)C[C@H](C)O1 ZINC000008429593 569002722 /nfs/dbraw/zinc/00/27/22/569002722.db2.gz DPUQHYIWZUDIBC-GASCZTMLSA-N -1 0 412.508 1.859 50 0 HDAARM CCN1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)CCC(=O)[O-])cc32)CC1 ZINC000036353242 569147689 /nfs/dbraw/zinc/14/76/89/569147689.db2.gz SFQXIEFMCONWHB-LJQANCHMSA-N -1 0 402.451 1.734 50 0 HDAARM COC(=O)c1scc(C)c1S(=O)(=O)[N-]N1C(=O)NC2(CCCCC2)C1=O ZINC000170610568 569245266 /nfs/dbraw/zinc/24/52/66/569245266.db2.gz BJXLGQYGQREGHD-UHFFFAOYSA-N -1 0 401.466 1.291 50 0 HDAARM Cc1c(O[C@@H](C)C(=O)NCC(=O)NCC(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3 ZINC000002104537 569281993 /nfs/dbraw/zinc/28/19/93/569281993.db2.gz SXSUUWATWRQQBV-LBPRGKRZSA-N -1 0 416.430 1.065 50 0 biogenic HDAARM C[C@@H](NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000002150586 569290035 /nfs/dbraw/zinc/29/00/35/569290035.db2.gz PSAMEINAOGIZIW-NEPJUHHUSA-N -1 0 416.430 1.145 50 0 biogenic HDAARM COc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)c1 ZINC000252536246 569292759 /nfs/dbraw/zinc/29/27/59/569292759.db2.gz HZDHPUJCQDNXNI-NOZJJQNGSA-N -1 0 408.270 1.304 50 0 HDAARM CCc1ncnc(O[C@@H]2CCN(S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)C2)c1F ZINC000253472204 569381255 /nfs/dbraw/zinc/38/12/55/569381255.db2.gz KCPZHMJFRFMKDS-SNVBAGLBSA-N -1 0 413.402 1.857 50 0 HDAARM C[C@]12CC[C@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C(=O)[O-])[C@]1(O)CC[C@H]2C1=CC(=O)OC1 ZINC000253498222 569382069 /nfs/dbraw/zinc/38/20/69/569382069.db2.gz XJIILRFVONGQOG-GSOTUXLWSA-N -1 0 420.502 1.784 50 0 biogenic HDAARM CCS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1cccs1)C[C@@H](C(=O)[O-])O2 ZINC000013398369 569413334 /nfs/dbraw/zinc/41/33/34/569413334.db2.gz SZCKSKLQRXRBHA-ZDUSSCGKSA-N -1 0 417.486 1.583 50 0 HDAARM COCCOc1ccc(S(=O)(=O)Nc2cc3c(c(C(=O)[O-])c2)OCCO3)cc1 ZINC000079020513 569424248 /nfs/dbraw/zinc/42/42/48/569424248.db2.gz DUUGPRZQHPOQEQ-UHFFFAOYSA-N -1 0 409.416 1.982 50 0 HDAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)N3C(=O)CCC3=O)cc2)n1 ZINC000009290422 571245435 /nfs/dbraw/zinc/24/54/35/571245435.db2.gz GUXQTRVDZZREGX-UHFFFAOYSA-N -1 0 403.420 1.575 50 0 HDAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCCO)cc1 ZINC000012379694 1073496506 /nfs/dbraw/zinc/49/65/06/1073496506.db2.gz JQCJHVGTYZTOOE-UHFFFAOYSA-N -1 0 401.448 1.793 50 0 HDAARM Cc1cccn2c(=O)c3c(nc12)N1CCCCC[C@H]1[C@@]1(C3)C(=O)[N-]C(=O)N(C)C1=O ZINC000009316425 132338446 /nfs/dbraw/zinc/33/84/46/132338446.db2.gz NVEIKRRRVVWKET-QKKBWIMNSA-N -1 0 409.446 1.003 50 0 HDAARM COc1ccc(CN(C(=O)C=CC(=O)[O-])[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000032931788 523986786 /nfs/dbraw/zinc/98/67/86/523986786.db2.gz RLEJWWMLEJMKFX-JYBLJSLWSA-N -1 0 408.410 1.997 50 0 HDAARM O=S(=O)(c1ccc2c(c1)S(=O)(=O)[N-]C(Cc1ccccc1)=N2)N1CCOCC1 ZINC000015682405 527281705 /nfs/dbraw/zinc/28/17/05/527281705.db2.gz MLUSAFYXKCBPFE-UHFFFAOYSA-N -1 0 421.500 1.272 50 0 HDAARM COc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]C(C)=O)cc2)cc(OC)c1OC ZINC000000655517 557040953 /nfs/dbraw/zinc/04/09/53/557040953.db2.gz BAXHJFVSNBVLLR-UHFFFAOYSA-N -1 0 408.432 1.790 50 0 HDAARM O=C([O-])C=CC(=O)N(Cc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000000842673 557097972 /nfs/dbraw/zinc/09/79/72/557097972.db2.gz LINZWRYGUMIPNB-FDMDGMSGSA-N -1 0 422.393 1.717 50 0 HDAARM CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2)c1 ZINC000001144510 557206732 /nfs/dbraw/zinc/20/67/32/557206732.db2.gz CMRITFMOJDQQOJ-UHFFFAOYSA-N -1 0 417.447 1.956 50 0 HDAARM COc1cc(OC)nc(NC(=O)[N-]S(=O)(=O)Nc2ccccc2C(=O)C2CC2)n1 ZINC000002511777 557353687 /nfs/dbraw/zinc/35/36/87/557353687.db2.gz OFSLKOLYLQSJPB-UHFFFAOYSA-N -1 0 421.435 1.565 50 0 in-vitro HDAARM CCOc1ccc(-c2nnc(CCC(=O)NCCN3CCOCC3)c(=O)[n-]2)cc1 ZINC000034762905 557460406 /nfs/dbraw/zinc/46/04/06/557460406.db2.gz LJVPXSZMCLUVLA-UHFFFAOYSA-N -1 0 401.467 1.024 50 0 HDAARM Cc1cc2c(cc1S(=O)(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-])NC(=O)CO2 ZINC000006667974 557712963 /nfs/dbraw/zinc/71/29/63/557712963.db2.gz DADYFZWZCIUFGS-AWEZNQCLSA-N -1 0 408.407 1.439 50 0 HDAARM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc4c(c3)n(C)c(=O)n4C)c(Cl)cc21 ZINC000008973608 557817039 /nfs/dbraw/zinc/81/70/39/557817039.db2.gz MJOZIUVENNRIJF-UHFFFAOYSA-N -1 0 422.850 1.776 50 0 HDAARM COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccnc2)ccc1O ZINC000011859158 558289619 /nfs/dbraw/zinc/28/96/19/558289619.db2.gz KYUZLWFKQNZOHE-GRDNDAEWSA-N -1 0 411.336 1.900 50 0 HDAARM CCC(NCCCN1CCOCC1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000020291178 558354000 /nfs/dbraw/zinc/35/40/00/558354000.db2.gz VCLBCMWKPKNKLS-ISLYRVAYSA-N -1 0 400.479 1.554 50 0 HDAARM COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)N(CC(=O)[O-])C(=O)[C@@H]32)cc1 ZINC000012414147 558401916 /nfs/dbraw/zinc/40/19/16/558401916.db2.gz ONNMVZFTQVAKLI-DMDPSCGWSA-N -1 0 406.441 1.121 50 0 HDAARM COc1ccccc1-c1nc(CC(=O)N[C@H](CCCNC(N)=O)C(=O)[O-])cs1 ZINC000020719429 558402514 /nfs/dbraw/zinc/40/25/14/558402514.db2.gz BKNCDZFERPKIPA-CYBMUJFWSA-N -1 0 406.464 1.379 50 0 HDAARM O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000020723997 558404117 /nfs/dbraw/zinc/40/41/17/558404117.db2.gz ZBGDBCYWHSZDLF-SUMWQHHRSA-N -1 0 411.911 1.752 50 0 HDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3cc(C)cc(C)c3)[C@H]2SC1 ZINC000004556386 558725882 /nfs/dbraw/zinc/72/58/82/558725882.db2.gz APLWRCOGQLUCNR-RDTXWAMCSA-N -1 0 404.444 1.219 50 0 HDAARM COCCCNC(=O)c1nn(-c2ccccc2I)cc1[O-] ZINC000072311816 558795357 /nfs/dbraw/zinc/79/53/57/558795357.db2.gz SYSDOVUKOAKAGD-UHFFFAOYSA-N -1 0 401.204 1.949 50 0 HDAARM CCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])CC2)cc1 ZINC000017088018 558816724 /nfs/dbraw/zinc/81/67/24/558816724.db2.gz SOVOGVMUWDGPJI-ROUUACIJSA-N -1 0 408.520 1.973 50 0 HDAARM COC(=O)c1c(OC)ccc(S(=O)(=O)NCC2(CC(=O)[O-])CCC2)c1OC ZINC000097101784 558994115 /nfs/dbraw/zinc/99/41/15/558994115.db2.gz QWARGNLZVFIGIK-UHFFFAOYSA-N -1 0 401.437 1.414 50 0 HDAARM C[C@H]1CCc2cc(F)cc3c([O-])c(C(=O)NCCCN4CCOCC4)c(=O)n1c23 ZINC000100663168 559137594 /nfs/dbraw/zinc/13/75/94/559137594.db2.gz OVCYGCDRHBKEEP-ZDUSSCGKSA-N -1 0 403.454 1.806 50 0 HDAARM CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000005135037 559250315 /nfs/dbraw/zinc/25/03/15/559250315.db2.gz WYHIPJMSLRIHIE-UHFFFAOYSA-N -1 0 412.489 1.755 50 0 HDAARM COc1ccccc1C1(C(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@H]3C(=O)[O-])CCC1 ZINC000002146630 560559140 /nfs/dbraw/zinc/55/91/40/560559140.db2.gz DQPBSWULMWYIDY-FMKPAKJESA-N -1 0 404.488 1.749 50 0 biogenic HDAARM CCCCn1c(=O)[nH]c(=O)c(C2=NN(C(C)=O)[C@H](c3ccc4c(c3)OCO4)C2)c1[O-] ZINC000101455912 560795301 /nfs/dbraw/zinc/79/53/01/560795301.db2.gz MILXXFDHSFHQOQ-AWEZNQCLSA-N -1 0 414.418 1.469 50 0 HDAARM Cc1[n-]n(Cc2c(Cl)cccc2Cl)c(=O)c1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000101901832 560803762 /nfs/dbraw/zinc/80/37/62/560803762.db2.gz GWOIKHWXQAUTEJ-YGRLFVJLSA-N -1 0 418.302 1.631 50 0 HDAARM COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(O)=C23)cc1OC ZINC000102552877 560817866 /nfs/dbraw/zinc/81/78/66/560817866.db2.gz ZLRBOWGIECOTCA-PKOBYXMFSA-N -1 0 410.382 1.922 50 0 HDAARM COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000012201475 560891729 /nfs/dbraw/zinc/89/17/29/560891729.db2.gz XREVKLAIALMHND-UHFFFAOYSA-N -1 0 404.400 1.878 50 0 HDAARM Nn1c(=O)c(CCC(=O)[O-])nnc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000012347598 568494047 /nfs/dbraw/zinc/49/40/47/568494047.db2.gz QKGAUZIGGIFTEV-UHFFFAOYSA-N -1 0 417.369 1.119 50 0 HDAARM COC(=O)Cn1cc([N-]S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)cn1 ZINC000095953268 568668033 /nfs/dbraw/zinc/66/80/33/568668033.db2.gz IOZVHPQALOJKJY-UHFFFAOYSA-N -1 0 420.369 1.149 50 0 HDAARM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)Nc2ccc(-n3cc(C(=O)[O-])nn3)cc2)c1 ZINC000095970446 568671207 /nfs/dbraw/zinc/67/12/07/568671207.db2.gz SFOIXLDUEKYCIW-UHFFFAOYSA-N -1 0 418.435 1.233 50 0 HDAARM CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000021364286 568690451 /nfs/dbraw/zinc/69/04/51/568690451.db2.gz DOAFFVYKVLBVAW-JTQLQIEISA-N -1 0 411.461 1.550 50 0 HDAARM COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c([O-])nc2ccccn2c1=O ZINC000096117193 568696649 /nfs/dbraw/zinc/69/66/49/568696649.db2.gz IIPVDSDPZRGOJP-CYBMUJFWSA-N -1 0 408.414 1.286 50 0 HDAARM CCn1ncc(Br)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@@H]12 ZINC000002747683 568806183 /nfs/dbraw/zinc/80/61/83/568806183.db2.gz QHYWBFAZHAEHPX-OQPBUACISA-N -1 0 415.269 1.038 50 0 HDAARM CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3c(Cl)c(C(F)(F)F)nn3C)[C@H]2SC1 ZINC000002783383 568808752 /nfs/dbraw/zinc/80/87/52/568808752.db2.gz KKBZABSAAUWNQE-SREIQFSDSA-N -1 0 424.788 1.464 50 0 HDAARM COc1ccc(-c2cn(CC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])c(=O)cn2)cc1 ZINC000218265544 568837205 /nfs/dbraw/zinc/83/72/05/568837205.db2.gz FRKYRNVRGWJJSD-GOSISDBHSA-N -1 0 407.426 1.731 50 0 HDAARM O=C(CNC(=O)c1ccco1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000003404682 568896909 /nfs/dbraw/zinc/89/69/09/568896909.db2.gz OJBUPJCUIFFFEQ-UHFFFAOYSA-N -1 0 401.404 1.239 50 0 HDAARM NC(=O)C1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccco2)c3=O)CC1 ZINC000003631892 568921444 /nfs/dbraw/zinc/92/14/44/568921444.db2.gz KGEKAOBRQMHCKF-UHFFFAOYSA-N -1 0 412.471 1.664 50 0 HDAARM CCn1ncc([N-]S(=O)(=O)c2cn(C)nc2C)c1C(=O)Nc1cnn(C)c1C ZINC000002804675 568932376 /nfs/dbraw/zinc/93/23/76/568932376.db2.gz IGIBUBGQWCMOPM-UHFFFAOYSA-N -1 0 406.472 1.040 50 0 HDAARM COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)[N-]c3ccc(C)cn3)cc21 ZINC000015682431 568968776 /nfs/dbraw/zinc/96/87/76/568968776.db2.gz CWJZOUOTQARFMM-UHFFFAOYSA-N -1 0 407.473 1.803 50 0 HDAARM COCC(=O)Nc1ccc(N2CCN(CC(=O)NC(C)(C)C)CC2)cc1C(=O)[O-] ZINC000064589881 569069136 /nfs/dbraw/zinc/06/91/36/569069136.db2.gz YRRRHECOIRSVCZ-UHFFFAOYSA-N -1 0 406.483 1.006 50 0 HDAARM Cc1ccc([C@H]2NC(=S)N[C@@H](c3ccc(C)cc3)C23C(=O)[N-]C(=O)NC3=O)cc1 ZINC000013136818 569211547 /nfs/dbraw/zinc/21/15/47/569211547.db2.gz VHJLSOSHFINRRX-IYBDPMFKSA-N -1 0 408.483 1.916 50 0 HDAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(CC(=O)N3CCOCC3)cc2)c1 ZINC000013848860 569258108 /nfs/dbraw/zinc/25/81/08/569258108.db2.gz HRKXESWUXHPKFE-UHFFFAOYSA-N -1 0 420.487 1.906 50 0 HDAARM CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCC(=O)NCC(=O)[O-])ccc12 ZINC000002099405 569281118 /nfs/dbraw/zinc/28/11/18/569281118.db2.gz LAHDARPHRNSSKO-ZDUSSCGKSA-N -1 0 418.446 1.528 50 0 biogenic HDAARM Cn1c(Cc2nnn(Cc3ccc(Cl)cc3Cl)n2)nnc1SCC(=O)[O-] ZINC000009189878 569391643 /nfs/dbraw/zinc/39/16/43/569391643.db2.gz ROMGQMOMCXICKK-UHFFFAOYSA-N -1 0 414.278 1.924 50 0 HDAARM COC(=O)c1cncc([N-]S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)c1 ZINC000328594464 569415747 /nfs/dbraw/zinc/41/57/47/569415747.db2.gz LWGZUGNLNJSOBP-UHFFFAOYSA-N -1 0 424.378 1.963 50 0 HDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)C[C@@H](C)c3ccccc3)[C@H]2SC1 ZINC000008489897 571056411 /nfs/dbraw/zinc/05/64/11/571056411.db2.gz NFWOAGOKRSGCBI-XNPNBVRTSA-N -1 0 418.471 1.482 50 0 HDAARM COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCCCC(=O)[O-])C2)cc1 ZINC000009303755 571246297 /nfs/dbraw/zinc/24/62/97/571246297.db2.gz GPBAEDNPWRPLLY-HNNXBMFYSA-N -1 0 412.508 1.857 50 0 HDAARM Cc1ccnc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)cs2)c1 ZINC000065097409 571309066 /nfs/dbraw/zinc/30/90/66/571309066.db2.gz AYBPMSSOMGGQAZ-UHFFFAOYSA-N -1 0 419.488 2.538 50 0 HDAARM CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=O)Nc4ccccc4)CC3)nc21 ZINC000002359995 132253293 /nfs/dbraw/zinc/25/32/93/132253293.db2.gz DZIRJROFDGMTGX-UHFFFAOYSA-N -1 0 422.445 1.864 50 0 HDAARM CCN1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)CCC(=O)[O-])ccc32)CC1 ZINC000031817707 521690688 /nfs/dbraw/zinc/69/06/88/521690688.db2.gz LHZKCVFVKNKNNE-LJQANCHMSA-N -1 0 402.451 1.734 50 0 HDAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000002646187 557360655 /nfs/dbraw/zinc/36/06/55/557360655.db2.gz MGGULMIQVXJROP-MRXNPFEDSA-N -1 0 402.428 1.913 50 0 HDAARM CCOC(=O)c1c(C)n(S(C)(=O)=O)c2cc(OC)c([N-]S(C)(=O)=O)cc21 ZINC000006142911 557690414 /nfs/dbraw/zinc/69/04/14/557690414.db2.gz IABBFGFUCKLMSQ-UHFFFAOYSA-N -1 0 404.466 1.314 50 0 HDAARM Nc1nc2ncc(CN(C(=O)C(F)(F)F)c3ccc(C(=O)[O-])cc3)nc2c(=O)[nH]1 ZINC000006565581 557708145 /nfs/dbraw/zinc/70/81/45/557708145.db2.gz IJGIHDXKYQLIMA-UHFFFAOYSA-N -1 0 408.296 1.089 50 0 HDAARM Cc1cc2c(cc1S(=O)(=O)NCCOc1ccc(C(=O)[O-])cc1)NC(=O)CO2 ZINC000008782716 557808477 /nfs/dbraw/zinc/80/84/77/557808477.db2.gz IHVWCHMUBCIIOP-UHFFFAOYSA-N -1 0 406.416 1.381 50 0 HDAARM O=C([O-])c1ccccc1C(=O)N(CCS(=O)(=O)N1CCCC1)Cc1ccncc1 ZINC000009303784 557835551 /nfs/dbraw/zinc/83/55/51/557835551.db2.gz WCOJGKPUNIEQJY-UHFFFAOYSA-N -1 0 417.487 1.848 50 0 HDAARM O=C([O-])/C=C/C(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@]12C(=O)Nc1ccccc12 ZINC000009418829 557841856 /nfs/dbraw/zinc/84/18/56/557841856.db2.gz IFCBJDOXMQZFIV-CQQBXOTJSA-N -1 0 405.366 1.840 50 0 HDAARM O=C([O-])c1ccccc1C(=O)N(CCS(=O)(=O)N1CCCC1)Cc1cccnc1 ZINC000009423343 557842533 /nfs/dbraw/zinc/84/25/33/557842533.db2.gz NTKYRAPQKGLJFS-UHFFFAOYSA-N -1 0 417.487 1.848 50 0 HDAARM COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@@H](CNC(=O)c1n[nH]c(=O)[n-]1)C2 ZINC000012030205 558311176 /nfs/dbraw/zinc/31/11/76/558311176.db2.gz CTFIQWAALKPUTK-CYBMUJFWSA-N -1 0 408.414 1.594 50 0 HDAARM CC(=O)NC1C(=O)N=C(SCC(=O)Nc2ccc(Br)cn2)N=C1[O-] ZINC000012379556 558392737 /nfs/dbraw/zinc/39/27/37/558392737.db2.gz HTQFYRKFYHJRDS-UHFFFAOYSA-N -1 0 414.241 1.322 50 0 HDAARM Cn1c(=O)c2c(nc1N1CCN(C(=O)CCC(=O)[O-])CC1)sc1c2CCCC1 ZINC000020731731 558406824 /nfs/dbraw/zinc/40/68/24/558406824.db2.gz VEYGZTIQOJVETD-UHFFFAOYSA-N -1 0 404.492 1.387 50 0 HDAARM O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000004371769 558472694 /nfs/dbraw/zinc/47/26/94/558472694.db2.gz KCXHHHJOTLOQKD-CYBMUJFWSA-N -1 0 409.489 1.646 50 0 HDAARM CSCC[C@H](NC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1)C(=O)[O-] ZINC000013682718 558567702 /nfs/dbraw/zinc/56/77/02/558567702.db2.gz TUKYOPWJVWAFPH-INIZCTEOSA-N -1 0 404.492 1.842 50 0 HDAARM Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=C1C(=O)NC(=S)NC1=O ZINC000001216508 558847337 /nfs/dbraw/zinc/84/73/37/558847337.db2.gz PFAWDVGCOJZFDR-UHFFFAOYSA-N -1 0 407.249 1.563 50 0 HDAARM CNC(=O)c1c2c(sc1NC(=O)Cc1nn3c([n-]1)nc(C)cc3=O)CCCC2 ZINC000055073186 558871361 /nfs/dbraw/zinc/87/13/61/558871361.db2.gz DZGAECFJGQONPW-UHFFFAOYSA-N -1 0 400.464 1.619 50 0 HDAARM COCCn1ncc2ccc([N-]S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc21 ZINC000058003063 558894055 /nfs/dbraw/zinc/89/40/55/558894055.db2.gz IDFIFSQBJIPGRU-UHFFFAOYSA-N -1 0 409.489 1.887 50 0 HDAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 ZINC000004732822 559033470 /nfs/dbraw/zinc/03/34/70/559033470.db2.gz HQQBXMQPKBMLTA-UHFFFAOYSA-N -1 0 405.432 1.815 50 0 HDAARM C[C@H]1CNC(=O)CCN1C(=O)c1cnc(COc2ccc(C(C)(C)C)cc2)[nH]c1=O ZINC000092038168 559075315 /nfs/dbraw/zinc/07/53/15/559075315.db2.gz WAQANKRZMFLYGD-AWEZNQCLSA-N -1 0 412.490 1.997 50 0 HDAARM COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCOC[C@H]43)C2=O)cc1 ZINC000248156751 559275204 /nfs/dbraw/zinc/27/52/04/559275204.db2.gz ZLYAYEXGIWYEGH-PGRDOPGGSA-N -1 0 407.426 1.726 50 0 HDAARM NC(=O)COc1ccccc1C1=NO[C@@](CC(=O)[O-])(C(=O)NC2CCCCC2)C1 ZINC000005452150 560589385 /nfs/dbraw/zinc/58/93/85/560589385.db2.gz MDZIAVRUARECDG-FQEVSTJZSA-N -1 0 403.435 1.338 50 0 HDAARM COc1cc(/C=C2\NC(=S)N(C)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000005674983 560775601 /nfs/dbraw/zinc/77/56/01/560775601.db2.gz GBOMOMWGTRSCAZ-OQFOIZHKSA-N -1 0 401.238 1.609 50 0 HDAARM Cc1cc(NC(=O)CSc2nc(N)c(NC(=O)c3ccccc3)c(=O)[n-]2)no1 ZINC000018204027 560784070 /nfs/dbraw/zinc/78/40/70/560784070.db2.gz QVJSRSNIYWNWQJ-UHFFFAOYSA-N -1 0 400.420 1.632 50 0 HDAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc5c(c4)OCCO5)c(=O)c2=3)c1 ZINC000101352874 560792148 /nfs/dbraw/zinc/79/21/48/560792148.db2.gz JYUWGTBSGDCYPM-MOPGFXCFSA-N -1 0 421.413 1.698 50 0 HDAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc5c(c4)OCCO5)c(=O)c2=3)c1 ZINC000101352873 560792184 /nfs/dbraw/zinc/79/21/84/560792184.db2.gz JYUWGTBSGDCYPM-OALUTQOASA-N -1 0 421.413 1.698 50 0 HDAARM COc1ccc([C@@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=NN2C(C)=O)c(OC)c1 ZINC000101456411 560795611 /nfs/dbraw/zinc/79/56/11/560795611.db2.gz OHFAIIYKAOAVMG-AWEZNQCLSA-N -1 0 418.475 1.874 50 0 HDAARM CCCCn1c([O-])c(C2=NN[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c(=O)[nH]c1=O ZINC000101761913 560800494 /nfs/dbraw/zinc/80/04/94/560800494.db2.gz LVYBLJSQRNFFFB-GFCCVEGCSA-N -1 0 418.450 1.507 50 0 HDAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccc5c(c4)OCO5)no3)c=2c(=O)n1-c1ccccc1 ZINC000101893891 560804668 /nfs/dbraw/zinc/80/46/68/560804668.db2.gz FUMCEZKUCZHDBV-SJORKVTESA-N -1 0 418.369 1.959 50 0 HDAARM COc1ccc(C(=O)Nc2nnc(SCc3cc(=O)n4nc[n-]c4n3)s2)cc1 ZINC000102621515 560818260 /nfs/dbraw/zinc/81/82/60/560818260.db2.gz AMTCVHWOOBNKQT-UHFFFAOYSA-N -1 0 415.460 1.822 50 0 HDAARM CCCN1C(=S)N(CCO)C(=O)/C1=C/C=C1\Oc2ccccc2N1CCC(=O)[O-] ZINC000005764863 568455016 /nfs/dbraw/zinc/45/50/16/568455016.db2.gz JOROOBAQOSGEII-OHBYXVMASA-N -1 0 417.487 1.917 50 0 HDAARM COc1cc2c(cc1OC)[C@H](c1c([O-])[nH]c(=O)n(-c3ccc(C)cc3)c1=O)NCC2 ZINC000020410529 568605127 /nfs/dbraw/zinc/60/51/27/568605127.db2.gz SSKXZTSAIQYEMW-LJQANCHMSA-N -1 0 409.442 1.792 50 0 biogenic HDAARM COc1cc2ncn(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(=O)c2cc1OC ZINC000020763233 568642636 /nfs/dbraw/zinc/64/26/36/568642636.db2.gz RLWZLPBNXNLQIR-INIZCTEOSA-N -1 0 411.414 1.226 50 0 biogenic HDAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cn2nc(C)c3ccccc3c2=O)c1 ZINC000021303091 568687262 /nfs/dbraw/zinc/68/72/62/568687262.db2.gz KRQUXPLXCAFFQP-UHFFFAOYSA-N -1 0 401.444 1.843 50 0 HDAARM COc1nccnc1[N-]S(=O)(=O)c1ccc(N2C(=O)[C@H](C(C)C)NC2=S)cc1 ZINC000012401256 568704005 /nfs/dbraw/zinc/70/40/05/568704005.db2.gz FWDXYNXZOYAVMB-ZDUSSCGKSA-N -1 0 421.504 1.532 50 0 HDAARM CC(C)c1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 ZINC000002928570 568726802 /nfs/dbraw/zinc/72/68/02/568726802.db2.gz AHNWRZJYWFOXRL-UHFFFAOYSA-N -1 0 417.443 1.620 50 0 HDAARM CCc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(S(N)(=O)=O)cc3)c2)no1 ZINC000021702077 568741607 /nfs/dbraw/zinc/74/16/07/568741607.db2.gz LLPRXSFOURCNKP-UHFFFAOYSA-N -1 0 414.490 1.809 50 0 HDAARM COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccnc2)ccc1O ZINC000000915116 568750291 /nfs/dbraw/zinc/75/02/91/568750291.db2.gz KYUZLWFKQNZOHE-JKIFEVAISA-N -1 0 411.336 1.900 50 0 HDAARM COc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1C(=O)[O-] ZINC000003199501 568861327 /nfs/dbraw/zinc/86/13/27/568861327.db2.gz CLVAJKORECMLFW-UHFFFAOYSA-N -1 0 406.460 1.913 50 0 HDAARM Cc1nn(-c2ccc(F)cc2)c(C)c1CNS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000670463443 568959635 /nfs/dbraw/zinc/95/96/35/568959635.db2.gz PCBCWVPVGYFSMU-CQSZACIVSA-N -1 0 410.471 1.759 50 0 HDAARM CC(C)C[C@@H](NC(=O)NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000012848297 569010296 /nfs/dbraw/zinc/01/02/96/569010296.db2.gz MRURMHLWGDTWOR-HZPDHXFCSA-N -1 0 419.478 1.920 50 0 HDAARM Cn1c2ccc(S(=O)(=O)[O-])cc2/c(=N\NS(C)(=O)=O)cc1-c1ccccc1 ZINC000031761466 569012682 /nfs/dbraw/zinc/01/26/82/569012682.db2.gz NCTIDJBXOKKDPP-SDXDJHTJSA-N -1 0 407.473 1.457 50 0 HDAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NN2CCOCC2)cc1OC ZINC000006146436 569014544 /nfs/dbraw/zinc/01/45/44/569014544.db2.gz LFAZRPLFWJUDBS-UHFFFAOYSA-N -1 0 421.475 1.482 50 0 HDAARM O=C([O-])Cn1c(=O)c2c3c(sc2n(CC(=O)Nc2ccccc2)c1=O)CCCC3 ZINC000006760107 569113402 /nfs/dbraw/zinc/11/34/02/569113402.db2.gz NGQKYZXKHFIMHQ-UHFFFAOYSA-N -1 0 413.455 1.827 50 0 HDAARM O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@@H]1[C@@H]3Sc2[nH]c(=O)sc2C12CCCC2 ZINC000170612682 569246658 /nfs/dbraw/zinc/24/66/58/569246658.db2.gz HFGNCTZBQJNROV-HSVAUYOBSA-N -1 0 420.512 1.674 50 0 HDAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000006731490 569280127 /nfs/dbraw/zinc/28/01/27/569280127.db2.gz FXZBYQWHEGCTQW-PCHAPFSGSA-N -1 0 424.494 1.796 50 0 HDAARM CCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000002120334 569285398 /nfs/dbraw/zinc/28/53/98/569285398.db2.gz PQHGTOLWTAXCKC-IBGZPJMESA-N -1 0 404.419 1.076 50 0 biogenic HDAARM COc1ccc2c(C)c(CCC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)oc2c1 ZINC000002130933 569287117 /nfs/dbraw/zinc/28/71/17/569287117.db2.gz UIASMFYBKDBFTA-IBGZPJMESA-N -1 0 418.446 1.384 50 0 biogenic HDAARM Cc1ccccc1-c1nc2s/c(=C3\c4ccccc4N(CC(=O)[O-])C3=O)c(=O)n2n1 ZINC000002391831 569394072 /nfs/dbraw/zinc/39/40/72/569394072.db2.gz RROLWIRJXRJIRH-WUKNDPDISA-N -1 0 418.434 1.476 50 0 HDAARM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c[nH]1 ZINC000078967414 569422226 /nfs/dbraw/zinc/42/22/26/569422226.db2.gz NQRKCXAPVHPKMG-UHFFFAOYSA-N -1 0 413.477 1.433 50 0 HDAARM COCCCN1C(=O)[N-]C(=O)C(=C2C[C@H](c3cc(OC)ccc3OC)NN2)C1=O ZINC000008766925 571115750 /nfs/dbraw/zinc/11/57/50/571115750.db2.gz DJKKGSRWMXZWMV-XUVDNFPMSA-N -1 0 404.423 1.452 50 0 HDAARM O=C(CCN1C(=O)CNC1=O)Nc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000040139095 571188808 /nfs/dbraw/zinc/18/88/08/571188808.db2.gz BIUOSPFIIVVAFT-UHFFFAOYSA-N -1 0 408.461 1.429 50 0 HDAARM COc1ccc([N-]S(=O)(=O)c2cccs2)cc1S(=O)(=O)N1CCOCC1 ZINC000009191836 571235643 /nfs/dbraw/zinc/23/56/43/571235643.db2.gz SKZZRRJSLKOXIM-UHFFFAOYSA-N -1 0 418.518 1.578 50 0 HDAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1 ZINC000009228283 571239376 /nfs/dbraw/zinc/23/93/76/571239376.db2.gz UQNCNCPMONXMPU-UHFFFAOYSA-N -1 0 415.493 1.267 50 0 HDAARM O=S(=O)([N-]c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cccs1 ZINC000009455719 571260271 /nfs/dbraw/zinc/26/02/71/571260271.db2.gz NYYQWLVKIRYWDW-UHFFFAOYSA-N -1 0 406.482 1.709 50 0 HDAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cccc(-n2cnnn2)c1 ZINC000009715609 571281592 /nfs/dbraw/zinc/28/15/92/571281592.db2.gz OJMOIDZAJRBEHV-UHFFFAOYSA-N -1 0 422.430 1.505 50 0 HDAARM CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[O-] ZINC000009863983 571288762 /nfs/dbraw/zinc/28/87/62/571288762.db2.gz SFBSVTRAQGWHDK-HNNXBMFYSA-N -1 0 400.522 1.797 50 0 HDAARM CC[C@H](C)[C@@H](NC(=O)Cn1nc(-c2ccc(OC)c(OC)c2)ccc1=O)C(=O)[O-] ZINC000071335535 571292947 /nfs/dbraw/zinc/29/29/47/571292947.db2.gz RJCFXBUAYRABEN-HXPMCKFVSA-N -1 0 403.435 1.543 50 0 HDAARM O=C([O-])[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000003866375 939030895 /nfs/dbraw/zinc/03/08/95/939030895.db2.gz MTCIQFSSWMOBQI-QGZVFWFLSA-N -1 0 404.444 1.263 50 0 HDAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)[C@@H]4CCCO4)CC3)cc21 ZINC000000794060 132232671 /nfs/dbraw/zinc/23/26/71/132232671.db2.gz QGQJASCJFHKNMO-SFHVURJKSA-N -1 0 417.437 1.686 50 0 HDAARM CC(=O)Nc1ccc(N2CCN(CC(=O)N3CCCCCC3)CC2)cc1C(=O)[O-] ZINC000045967724 519721036 /nfs/dbraw/zinc/72/10/36/519721036.db2.gz BQSPPESFUZTVLX-UHFFFAOYSA-N -1 0 402.495 1.868 50 0 HDAARM Cc1c(N(CC(=O)[O-])S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000000712249 557066795 /nfs/dbraw/zinc/06/67/95/557066795.db2.gz OPKBTAKPMSRHLF-UHFFFAOYSA-N -1 0 401.444 1.764 50 0 biogenic HDAARM COc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000001230753 557249375 /nfs/dbraw/zinc/24/93/75/557249375.db2.gz MGQMJDWQRNRNBG-UHFFFAOYSA-N -1 0 420.443 1.667 50 0 HDAARM CC(C)(C)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)CC1=O ZINC000004970367 557618576 /nfs/dbraw/zinc/61/85/76/557618576.db2.gz UHVWHOXJEASLMV-ZDUSSCGKSA-N -1 0 417.491 1.863 50 0 HDAARM Nc1nc(SCC(=O)NC[C@H]2CCCO2)[n-]c(=O)c1NC(=O)c1cccs1 ZINC000002712466 557746124 /nfs/dbraw/zinc/74/61/24/557746124.db2.gz GRIRPCGECQWHJN-SECBINFHSA-N -1 0 409.493 1.053 50 0 HDAARM COc1cccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[n-]2)c1 ZINC000002712518 557746334 /nfs/dbraw/zinc/74/63/34/557746334.db2.gz XXHUAZMOEIDBFJ-UHFFFAOYSA-N -1 0 415.431 1.937 50 0 HDAARM COCCCNC(=O)c1nc2ccccc2c(=O)n1[N-]C(=O)C(Cl)(Cl)Cl ZINC000012339747 558386058 /nfs/dbraw/zinc/38/60/58/558386058.db2.gz AYYSKCWJVXTOCS-UHFFFAOYSA-N -1 0 421.668 1.603 50 0 HDAARM CSCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C)C(=O)[O-] ZINC000012794456 558467732 /nfs/dbraw/zinc/46/77/32/558467732.db2.gz UJZFQJLJAYWSCW-HNNXBMFYSA-N -1 0 400.522 1.716 50 0 HDAARM O=C([O-])Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013362537 558530613 /nfs/dbraw/zinc/53/06/13/558530613.db2.gz HCFHLTFSCWKZSI-UHFFFAOYSA-N -1 0 424.500 1.899 50 0 HDAARM CC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)N(CC(=O)[O-])C(=O)CO3)c1 ZINC000026528670 558662336 /nfs/dbraw/zinc/66/23/36/558662336.db2.gz IZZRTPUGRRRXSG-UHFFFAOYSA-N -1 0 404.400 1.500 50 0 HDAARM O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)NCCN1CCOCC1 ZINC000030513335 558731288 /nfs/dbraw/zinc/73/12/88/558731288.db2.gz QDKCHNRFUFQTQN-UHFFFAOYSA-N -1 0 409.533 1.540 50 0 HDAARM O=C(CCN1C(=O)[C@H]2Cc3ccccc3CN2C1=O)NCC1CCC(C(=O)[O-])CC1 ZINC000015971024 558764605 /nfs/dbraw/zinc/76/46/05/558764605.db2.gz UCORGEFIMSIHAV-JTTJXQCZSA-N -1 0 413.474 1.773 50 0 HDAARM CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C\c3ccc4c(c3)n(C)c(=O)n4C)C2=O)cc1 ZINC000000623484 558828255 /nfs/dbraw/zinc/82/82/55/558828255.db2.gz MLTAZXJWHOHOPP-LFIBNONCSA-N -1 0 420.425 1.515 50 0 HDAARM O=C([O-])C=CC(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000018284145 558835390 /nfs/dbraw/zinc/83/53/90/558835390.db2.gz LINZWRYGUMIPNB-ROJDOSBLSA-N -1 0 422.393 1.717 50 0 HDAARM COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])c1 ZINC000033047690 558883544 /nfs/dbraw/zinc/88/35/44/558883544.db2.gz AVPMPPAYWFDATB-UHFFFAOYSA-N -1 0 411.363 1.898 50 0 HDAARM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1cc(F)ccc1F ZINC000058310782 558918832 /nfs/dbraw/zinc/91/88/32/558918832.db2.gz TWNXPPCRZUUOEM-OAHLLOKOSA-N -1 0 419.427 1.561 50 0 HDAARM CCc1nccn1CCn1c2cc(C(=O)[O-])cnc2n(CCc2ccccn2)c1=O ZINC000065384872 558977201 /nfs/dbraw/zinc/97/72/01/558977201.db2.gz ZLECOQZQBTVTMP-UHFFFAOYSA-N -1 0 406.446 1.993 50 0 HDAARM CC(=O)N[C@@H](C)C(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2C1 ZINC000077459306 559006028 /nfs/dbraw/zinc/00/60/28/559006028.db2.gz QEDIGGCGILBWON-LBPRGKRZSA-N -1 0 406.464 1.193 50 0 HDAARM CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2F)cc1 ZINC000023144819 559021148 /nfs/dbraw/zinc/02/11/48/559021148.db2.gz ASSXTUKKSOXYQB-UHFFFAOYSA-N -1 0 418.468 1.942 50 0 HDAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1OC ZINC000100033325 559128907 /nfs/dbraw/zinc/12/89/07/559128907.db2.gz OHZJYHMGYVHMOK-ROUUACIJSA-N -1 0 409.402 1.636 50 0 HDAARM O=C1Nc2c(c(=O)[nH]c(=O)n2Cc2ccccc2)[C@@]1([N-]c1ncccn1)C(F)(F)F ZINC000100180867 559173659 /nfs/dbraw/zinc/17/36/59/559173659.db2.gz KPZKPYGCAANVAR-KRWDZBQOSA-N -1 0 418.335 1.197 50 0 HDAARM CCCNC(=O)CSc1nc(N)c(NC(=O)c2ccc(OCC)cc2)c(=O)[n-]1 ZINC000005081990 559242732 /nfs/dbraw/zinc/24/27/32/559242732.db2.gz VAYYEFXIYALEBX-UHFFFAOYSA-N -1 0 405.480 1.621 50 0 HDAARM Cc1ccc(-c2cc([N-]S(=O)(=O)c3c[nH]cn3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000011795837 559259775 /nfs/dbraw/zinc/25/97/75/559259775.db2.gz JGKIIKHZKSZXHZ-AWEZNQCLSA-N -1 0 421.504 1.742 50 0 HDAARM COC(=O)c1[n-]n(-c2ccccc2OC)c2c(O)n(-c3ccccc3OC)c(=O)c1-2 ZINC000100909583 560762459 /nfs/dbraw/zinc/76/24/59/560762459.db2.gz HIZKONXBHJCARZ-SJLPKXTDSA-N -1 0 409.398 1.611 50 0 HDAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3cccc(Br)c3)c(=O)c1-2 ZINC000018102056 560775858 /nfs/dbraw/zinc/77/58/58/560775858.db2.gz KSKCWDFGQHXTPN-AAEUAGOBSA-N -1 0 408.208 1.088 50 0 HDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)cc4)c=3c2=O)cc1OC ZINC000101169779 560787803 /nfs/dbraw/zinc/78/78/03/560787803.db2.gz WOTGUKQLJAWQCU-MOPGFXCFSA-N -1 0 423.429 1.944 50 0 HDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccccc4)c=3c2=O)cc1OC ZINC000101169922 560787837 /nfs/dbraw/zinc/78/78/37/560787837.db2.gz SHCQFVPVJYUYBJ-RBUKOAKNSA-N -1 0 423.429 1.313 50 0 HDAARM COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=NN2C(C)=O)c(OC)c1 ZINC000101495143 560796241 /nfs/dbraw/zinc/79/62/41/560796241.db2.gz IRSKEELTXIEVQL-ZDUSSCGKSA-N -1 0 404.448 1.863 50 0 HDAARM CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C)c2[O-])C[C@H]1c1ccc(Br)cc1 ZINC000101765978 560799683 /nfs/dbraw/zinc/79/96/83/560799683.db2.gz NCFGDBPFKVQDMW-LBPRGKRZSA-N -1 0 407.224 1.239 50 0 HDAARM CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C)c2[O-])C[C@@H]1c1ccc(Br)cc1 ZINC000101766202 560799760 /nfs/dbraw/zinc/79/97/60/560799760.db2.gz PYRCACIWVCLMBD-GFCCVEGCSA-N -1 0 421.251 1.629 50 0 HDAARM COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=NN2)cc1O ZINC000101762156 560800426 /nfs/dbraw/zinc/80/04/26/560800426.db2.gz YAARBYXPDVHUOC-CYBMUJFWSA-N -1 0 400.435 1.900 50 0 HDAARM CCCCn1c([O-])c(C2=NN[C@@H](c3ccc(OC)c(OC)c3OC)C2)c(=O)[nH]c1=O ZINC000101761921 560800442 /nfs/dbraw/zinc/80/04/42/560800442.db2.gz DUOGZJLFRZXYJP-GFCCVEGCSA-N -1 0 418.450 1.507 50 0 HDAARM COc1ccccc1[C@@H]1CC(c2c([O-])[nH]c(=O)n(-c3ccccc3OC)c2=O)=NN1 ZINC000101762837 560800822 /nfs/dbraw/zinc/80/08/22/560800822.db2.gz CCEXZLCQYQMGOM-ZDUSSCGKSA-N -1 0 408.414 1.687 50 0 HDAARM COc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccc(C(=O)[O-])cc3)n2)cc1OC ZINC000049545201 568451332 /nfs/dbraw/zinc/45/13/32/568451332.db2.gz LWUVCKBIEGCMLL-UHFFFAOYSA-N -1 0 423.425 1.942 50 0 HDAARM Cc1ccccc1CN1CCN(C(=O)CC[C@]2(CCC(=O)[O-])CCC(=O)N2)CC1 ZINC000222308540 568514810 /nfs/dbraw/zinc/51/48/10/568514810.db2.gz FAYCHBVHAPWMQI-QFIPXVFZSA-N -1 0 401.507 1.933 50 0 HDAARM CN1C(=O)N(C)[C@@]2(c3ccccc3)NNC(SCC(=O)[O-])=N[C@]12c1ccccc1 ZINC000020101862 568587842 /nfs/dbraw/zinc/58/78/42/568587842.db2.gz IXDQUBPMBWHEDW-WOJBJXKFSA-N -1 0 411.487 1.971 50 0 HDAARM CN(C)c1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)[O-])C2)c1 ZINC000225617550 568657604 /nfs/dbraw/zinc/65/76/04/568657604.db2.gz URRQBJICBZBYMM-QMTHXVAHSA-N -1 0 421.313 1.361 50 0 HDAARM CN(C)c1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)c1 ZINC000225617581 568657718 /nfs/dbraw/zinc/65/77/18/568657718.db2.gz URRQBJICBZBYMM-YGRLFVJLSA-N -1 0 421.313 1.361 50 0 HDAARM CCOC(=O)c1c([N-]S(=O)(=O)Cc2cccc(C(=O)OC)c2)nn2cc[nH]c12 ZINC000096013523 568685413 /nfs/dbraw/zinc/68/54/13/568685413.db2.gz VZWKEVATIAPNMX-UHFFFAOYSA-N -1 0 406.420 1.568 50 0 HDAARM COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2ccc(C(=O)[O-])cc2)o1 ZINC000096222727 568705880 /nfs/dbraw/zinc/70/58/80/568705880.db2.gz YWIWVKPLKOWQJA-INIZCTEOSA-N -1 0 417.414 1.571 50 0 biogenic HDAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000096361161 568739053 /nfs/dbraw/zinc/73/90/53/568739053.db2.gz ZUKAMUBSCRFDFV-UHFFFAOYSA-N -1 0 415.431 1.570 50 0 HDAARM CCOc1ccccc1N1CCN(C(=O)c2snc3c2nc([O-])n(C)c3=O)CC1 ZINC000096396650 568745259 /nfs/dbraw/zinc/74/52/59/568745259.db2.gz DVCGOXCXGWIABY-UHFFFAOYSA-N -1 0 415.475 1.457 50 0 HDAARM CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3c(Cl)c(C(F)(F)F)nn3C)[C@H]2SC1 ZINC000002783381 568808805 /nfs/dbraw/zinc/80/88/05/568808805.db2.gz KKBZABSAAUWNQE-PWCHPLFNSA-N -1 0 424.788 1.464 50 0 HDAARM Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@H]12 ZINC000002783485 568808841 /nfs/dbraw/zinc/80/88/41/568808841.db2.gz URELCQLYZQIKOC-HNAYVOBHSA-N -1 0 412.471 1.861 50 0 HDAARM O=C(NCCN1CCOCC1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC000002970907 568831711 /nfs/dbraw/zinc/83/17/11/568831711.db2.gz ALYAUWIAWUCKPZ-UHFFFAOYSA-N -1 0 414.487 1.762 50 0 HDAARM NS(=O)(=O)c1ccc(CCNC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000003043831 568848454 /nfs/dbraw/zinc/84/84/54/568848454.db2.gz FAADBSKHEXLWPW-UHFFFAOYSA-N -1 0 418.500 1.065 50 0 HDAARM Cc1ccc(C2=Nc3ccc(S(=O)(=O)N4CCOCC4)cc3S(=O)(=O)[N-]2)cc1 ZINC000015682401 568968684 /nfs/dbraw/zinc/96/86/84/568968684.db2.gz RQAFEAZZJCQRML-UHFFFAOYSA-N -1 0 421.500 1.386 50 0 HDAARM O=C([O-])Cc1csc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)n1 ZINC000012940817 569028626 /nfs/dbraw/zinc/02/86/26/569028626.db2.gz HPRKJBOBWMOBLN-LBPRGKRZSA-N -1 0 413.452 1.701 50 0 HDAARM CN(C)c1nnc(-c2ccc([N-]S(=O)(=O)c3cnn([C@@H]4CCOC4)c3)cc2)o1 ZINC000089326995 569058599 /nfs/dbraw/zinc/05/85/99/569058599.db2.gz YVYGTEXLFFHABK-CQSZACIVSA-N -1 0 404.452 1.761 50 0 HDAARM C[C@H](NC(=O)[C@H](C)NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000006929083 569183869 /nfs/dbraw/zinc/18/38/69/569183869.db2.gz PSAMEINAOGIZIW-RYUDHWBXSA-N -1 0 416.430 1.145 50 0 HDAARM Cc1c(C)[n+]([O-])c([C@@H](c2ccc(F)c(F)c2)c2c([O-])n(C)c(=O)n(C)c2=O)n1C ZINC000524734519 569213663 /nfs/dbraw/zinc/21/36/63/569213663.db2.gz NGCAHKZZKIOMGP-AWEZNQCLSA-N -1 0 406.389 1.352 50 0 HDAARM CC(=O)Nc1ccc(NC(=O)CSc2nnc([N-]S(C)(=O)=O)s2)cc1 ZINC000002186118 569293592 /nfs/dbraw/zinc/29/35/92/569293592.db2.gz GIBYMVGZTNZJBP-UHFFFAOYSA-N -1 0 401.495 1.599 50 0 HDAARM COc1ccccc1C1(C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])CCC1 ZINC000005304263 569356909 /nfs/dbraw/zinc/35/69/09/569356909.db2.gz DQPBSWULMWYIDY-IJEWVQPXSA-N -1 0 404.488 1.749 50 0 biogenic HDAARM COC(=O)c1cn(-c2ccc(C(=O)NCCC(=O)[O-])c(Cl)c2)cc2c(=O)[nH]nc1-2 ZINC000253413696 569389020 /nfs/dbraw/zinc/38/90/20/569389020.db2.gz VLVNHUBKDCGAJF-UHFFFAOYSA-N -1 0 418.793 1.310 50 0 HDAARM COc1ccc(NC(=O)CS(=O)(=O)c2ccc3c(c2)S(=O)(=O)[N-]C=N3)cc1 ZINC000013363188 569412019 /nfs/dbraw/zinc/41/20/19/569412019.db2.gz GKJKJLNXLGVICU-UHFFFAOYSA-N -1 0 409.445 1.059 50 0 HDAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)n(C)c(=O)c(=O)n2C ZINC000013364482 569412064 /nfs/dbraw/zinc/41/20/64/569412064.db2.gz POAHGCRDQVFWQO-UHFFFAOYSA-N -1 0 409.851 1.700 50 0 HDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008868980 571129835 /nfs/dbraw/zinc/12/98/35/571129835.db2.gz BPEGYNFSYFRUML-AWEZNQCLSA-N -1 0 412.489 1.676 50 0 HDAARM O=C(CSc1nc2c(-c3ccc(F)cc3)c[n-]n2c(=O)n1)NC[C@@H]1CCCO1 ZINC000009106733 571221747 /nfs/dbraw/zinc/22/17/47/571221747.db2.gz GARVBVVVDXNAJX-ZDUSSCGKSA-N -1 0 403.439 1.611 50 0 HDAARM O=C(Cn1nnc2ccccc21)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000009338422 571249552 /nfs/dbraw/zinc/24/95/52/571249552.db2.gz UZSBRYJUHQMGKE-UHFFFAOYSA-N -1 0 409.431 1.661 50 0 HDAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CNC(N)=O)ccc2OC)cc1 ZINC000009507879 571263831 /nfs/dbraw/zinc/26/38/31/571263831.db2.gz YUYCQHKEMNHULM-UHFFFAOYSA-N -1 0 422.463 1.502 50 0 HDAARM COCCn1c(=O)cc([O-])nc1SCc1nc(N)nc(Nc2ccccc2C)n1 ZINC000009669684 571278447 /nfs/dbraw/zinc/27/84/47/571278447.db2.gz ZPAQZWHWGRZIIO-UHFFFAOYSA-N -1 0 415.479 1.707 50 0 HDAARM CCOC(=O)N1CCN(C(=O)CSC2=Nc3ccccc3S(=O)(=O)[N-]2)CC1 ZINC000009708785 571281013 /nfs/dbraw/zinc/28/10/13/571281013.db2.gz CFGQIJJDZDGJMA-UHFFFAOYSA-N -1 0 412.493 1.191 50 0 HDAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc5c(c4)OCO5)c=3c2=O)cc1C ZINC000101389432 571317786 /nfs/dbraw/zinc/31/77/86/571317786.db2.gz MVAHQIYPICVHPI-OALUTQOASA-N -1 0 421.413 1.964 50 0 HDAARM Cc1c(Cl)cccc1N1C[C@H](C)Cn2c1nc1c2c(=O)n(CC(=O)[O-])c(=O)n1C ZINC000005251903 132304308 /nfs/dbraw/zinc/30/43/08/132304308.db2.gz IWJQHPBJFPLNBK-JTQLQIEISA-N -1 0 417.853 1.731 50 0 HDAARM CC(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(Cc4nonc4C)CC3)c2c1 ZINC000032088365 519734313 /nfs/dbraw/zinc/73/43/13/519734313.db2.gz VGSGMEHTCQDMCV-IBGZPJMESA-N -1 0 412.450 1.761 50 0 HDAARM C[C@@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CCO1 ZINC000032904507 524876644 /nfs/dbraw/zinc/87/66/44/524876644.db2.gz LTFOTBUBUXSQIN-GFCCVEGCSA-N -1 0 416.459 1.518 50 0 HDAARM O=C([O-])c1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000001176934 557228170 /nfs/dbraw/zinc/22/81/70/557228170.db2.gz PGIPORNVTFDSCN-UHFFFAOYSA-N -1 0 408.407 1.797 50 0 HDAARM O=C([O-])CNC(=O)CNC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002132878 557316681 /nfs/dbraw/zinc/31/66/81/557316681.db2.gz BLQIYOGUKHMCJJ-UHFFFAOYSA-N -1 0 410.382 1.156 50 0 biogenic HDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000002311996 557336489 /nfs/dbraw/zinc/33/64/89/557336489.db2.gz NOIUZXUEGCOAEW-UHFFFAOYSA-N -1 0 411.461 1.271 50 0 HDAARM COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c(C(=O)OC)c1C ZINC000003289684 557468334 /nfs/dbraw/zinc/46/83/34/557468334.db2.gz ZIGOKIBQBDODBD-UHFFFAOYSA-N -1 0 405.450 1.115 50 0 HDAARM Cc1ccc(S(=O)(=O)NC[C@H](NS(=O)(=O)c2ccc(C)cc2)C(=O)[O-])cc1 ZINC000005794727 557674970 /nfs/dbraw/zinc/67/49/70/557674970.db2.gz NLKSLZJFFPKVBQ-INIZCTEOSA-N -1 0 412.489 1.013 50 0 HDAARM Cc1ccc(S(=O)(=O)n2cnc(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])c2)cc1 ZINC000006489919 557704985 /nfs/dbraw/zinc/70/49/85/557704985.db2.gz DCLJSEPKYJSEHW-HNNXBMFYSA-N -1 0 409.464 1.949 50 0 HDAARM O=C([O-])CCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000006727252 557717694 /nfs/dbraw/zinc/71/76/94/557717694.db2.gz MKOLGZVKBDUNAN-UHFFFAOYSA-N -1 0 411.299 1.208 50 0 HDAARM CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)[O-])ccc21 ZINC000006948295 557731218 /nfs/dbraw/zinc/73/12/18/557731218.db2.gz VKDQMSHHBMZKQV-QGZVFWFLSA-N -1 0 402.472 1.960 50 0 HDAARM Nc1nc(SCC(=O)NCc2ccc(F)cc2)[n-]c(=O)c1NC(=O)c1ccco1 ZINC000002712536 557742321 /nfs/dbraw/zinc/74/23/21/557742321.db2.gz FBOFEVHUVREGOU-UHFFFAOYSA-N -1 0 417.422 1.745 50 0 HDAARM COC(=O)[C@H](C)Sc1nc(N)c(NC(=O)c2ccc(OC)c(OC)c2)c(=O)[n-]1 ZINC000002712657 557742342 /nfs/dbraw/zinc/74/23/42/557742342.db2.gz ZVISFMZQUCMDRZ-QMMMGPOBSA-N -1 0 408.436 1.275 50 0 HDAARM Nc1nc(SCC(=O)Nc2nccs2)[n-]c(=O)c1NC(=O)c1cccs1 ZINC000002712471 557746371 /nfs/dbraw/zinc/74/63/71/557746371.db2.gz BNTBHASJWLVCAL-UHFFFAOYSA-N -1 0 408.490 1.853 50 0 HDAARM Nc1nc(SCC(=O)N2CCc3ccccc32)[n-]c(=O)c1NC(=O)c1ccco1 ZINC000002712485 557746386 /nfs/dbraw/zinc/74/63/86/557746386.db2.gz RWYBLWFJISKGLN-UHFFFAOYSA-N -1 0 411.443 1.879 50 0 HDAARM COCCCN1C(=O)[N-]C(=O)C(=C2C[C@@H](c3ccc(OC)cc3)N(C(C)=O)N2)C1=O ZINC000008738197 557803311 /nfs/dbraw/zinc/80/33/11/557803311.db2.gz MJIHUUDIMDLODD-SCDSTIRESA-N -1 0 416.434 1.702 50 0 HDAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CCN3S(C)(=O)=O)c1 ZINC000019819387 558289767 /nfs/dbraw/zinc/28/97/67/558289767.db2.gz NFURSBHMXZOSPX-UHFFFAOYSA-N -1 0 412.489 1.827 50 0 HDAARM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c2c1 ZINC000020715120 558400986 /nfs/dbraw/zinc/40/09/86/558400986.db2.gz CVOQQXZBZJLKIW-FZKQIMNGSA-N -1 0 407.492 1.107 50 0 HDAARM C[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000013553014 558539626 /nfs/dbraw/zinc/53/96/26/558539626.db2.gz DPIXFLIAABXORK-IYXRBSQSSA-N -1 0 414.462 1.390 50 0 HDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4)c=3c2=O)cc1OC ZINC000004484131 558603373 /nfs/dbraw/zinc/60/33/73/558603373.db2.gz ROELBKAAFDERPD-MSOLQXFVSA-N -1 0 409.402 1.636 50 0 HDAARM CC(C)c1nnc([N-]C(=O)c2nc(S(C)(=O)=O)ncc2Br)s1 ZINC000027745465 558681170 /nfs/dbraw/zinc/68/11/70/558681170.db2.gz ZDLCUQGKROPZGC-UHFFFAOYSA-N -1 0 406.287 1.870 50 0 HDAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2ccc(=O)n(C)n2)c1 ZINC000016684950 558799649 /nfs/dbraw/zinc/79/96/49/558799649.db2.gz SHIWPMNPNNQMGT-UHFFFAOYSA-N -1 0 414.443 1.842 50 0 HDAARM O=C([O-])CCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000036724655 558801234 /nfs/dbraw/zinc/80/12/34/558801234.db2.gz SIKBSCDVAXWLKW-UHFFFAOYSA-N -1 0 405.270 1.147 50 0 HDAARM CCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)[O-])CC2)cc1 ZINC000017088020 558816760 /nfs/dbraw/zinc/81/67/60/558816760.db2.gz SOVOGVMUWDGPJI-ZWKOTPCHSA-N -1 0 408.520 1.973 50 0 HDAARM CCOCCC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3nnc(C)s3)cc2C1 ZINC000077538635 559008661 /nfs/dbraw/zinc/00/86/61/559008661.db2.gz MXJBHIDMSAIGGB-UHFFFAOYSA-N -1 0 410.521 1.959 50 0 HDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000004731594 559032745 /nfs/dbraw/zinc/03/27/45/559032745.db2.gz UUDCHEPGLBXJJT-CQSZACIVSA-N -1 0 407.492 1.631 50 0 HDAARM NC(=O)C[C@@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)C1CC1 ZINC000072297863 559119436 /nfs/dbraw/zinc/11/94/36/559119436.db2.gz WMHFJOSLDXPWFK-OAHLLOKOSA-N -1 0 407.517 1.862 50 0 HDAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1OC ZINC000098212476 559127684 /nfs/dbraw/zinc/12/76/84/559127684.db2.gz OHZJYHMGYVHMOK-ZWKOTPCHSA-N -1 0 409.402 1.636 50 0 HDAARM CC(=O)[N-]S(=O)(=O)c1ccc(N2C(=O)C[C@@H](Sc3nccc(C)n3)C2=O)cc1 ZINC000100603459 559136877 /nfs/dbraw/zinc/13/68/77/559136877.db2.gz ADXDVENNOXZLDO-CQSZACIVSA-N -1 0 420.472 1.034 50 0 HDAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)[C@H](C)NC(N)=O)ccc1C ZINC000004865511 559193804 /nfs/dbraw/zinc/19/38/04/559193804.db2.gz UIKWJSMMGIWQLP-LBPRGKRZSA-N -1 0 406.464 1.800 50 0 HDAARM COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccccc1C ZINC000011858322 559263099 /nfs/dbraw/zinc/26/30/99/559263099.db2.gz QRSXWCJWHGBQNR-UHFFFAOYSA-N -1 0 410.473 1.871 50 0 HDAARM C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C(=O)[O-])[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 ZINC000253488122 559280787 /nfs/dbraw/zinc/28/07/87/559280787.db2.gz XJIILRFVONGQOG-DSYAZWEGSA-N -1 0 420.502 1.784 50 0 biogenic HDAARM O=C([O-])C1CCN(C(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)CC1 ZINC000061719469 560536157 /nfs/dbraw/zinc/53/61/57/560536157.db2.gz TYUHWUMLGBVBIV-UHFFFAOYSA-N -1 0 420.263 1.996 50 0 HDAARM C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000005268918 560559882 /nfs/dbraw/zinc/55/98/82/560559882.db2.gz DZUBBBDYRNHBCS-JSGCOSHPSA-N -1 0 405.426 1.007 50 0 HDAARM COc1ccc([C@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=NN2C(C)=O)c(OC)c1 ZINC000101495145 560796335 /nfs/dbraw/zinc/79/63/35/560796335.db2.gz IRSKEELTXIEVQL-CYBMUJFWSA-N -1 0 404.448 1.863 50 0 HDAARM Cn1c2ccc(CCC(=O)NCC3(CC(=O)[O-])CCCCC3)cc2[nH]c(=O)c1=O ZINC000218156051 568475933 /nfs/dbraw/zinc/47/59/33/568475933.db2.gz BUBMDFPWYSFLCQ-UHFFFAOYSA-N -1 0 401.463 1.701 50 0 HDAARM CN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)CC1 ZINC000000816573 568495402 /nfs/dbraw/zinc/49/54/02/568495402.db2.gz NXQWCZDTTZJRQY-SJORKVTESA-N -1 0 409.508 1.452 50 0 HDAARM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000000837297 568514823 /nfs/dbraw/zinc/51/48/23/568514823.db2.gz KOVBLIKZNHOYBH-UHFFFAOYSA-N -1 0 420.443 1.667 50 0 HDAARM CN1C(=O)N(C)[C@@]2(c3ccccc3)N=C(SCC(=O)[O-])NN[C@@]12c1ccccc1 ZINC000020101856 568587947 /nfs/dbraw/zinc/58/79/47/568587947.db2.gz IXDQUBPMBWHEDW-UXHICEINSA-N -1 0 411.487 1.971 50 0 HDAARM NS(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(F)c2)cc2c1CCC2 ZINC000095464105 568622360 /nfs/dbraw/zinc/62/23/60/568622360.db2.gz YZRXIZCVFABKLA-MRXNPFEDSA-N -1 0 410.398 1.657 50 0 HDAARM COC(=O)C[C@@H](c1ccc(OC)cc1OC)c1c(O)cc(C)n(CC(=O)[O-])c1=O ZINC000096221155 568704899 /nfs/dbraw/zinc/70/48/99/568704899.db2.gz RDZWYWQFCHCAIJ-AWEZNQCLSA-N -1 0 405.403 1.659 50 0 biogenic HDAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(S(N)(=O)=O)cc3)c2)no1 ZINC000021701723 568741669 /nfs/dbraw/zinc/74/16/69/568741669.db2.gz NPWRRUUNSNCVQZ-UHFFFAOYSA-N -1 0 400.463 1.555 50 0 HDAARM C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34C(=O)[O-])[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 ZINC000253488123 568753942 /nfs/dbraw/zinc/75/39/42/568753942.db2.gz XJIILRFVONGQOG-ODSFHJQASA-N -1 0 420.502 1.784 50 0 biogenic HDAARM C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C(=O)[O-])[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 ZINC000254760379 568756738 /nfs/dbraw/zinc/75/67/38/568756738.db2.gz XJIILRFVONGQOG-BYEOHFTNSA-N -1 0 420.502 1.784 50 0 HDAARM Cn1c2nc(SCC(=O)[O-])n(Cc3c(F)cccc3Cl)c2c(=O)n(C)c1=O ZINC000002494788 568776415 /nfs/dbraw/zinc/77/64/15/568776415.db2.gz KAFAHIWROABUQY-UHFFFAOYSA-N -1 0 412.830 1.451 50 0 biogenic HDAARM CCN1CCN(C(=S)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)CC1 ZINC000005940405 568831126 /nfs/dbraw/zinc/83/11/26/568831126.db2.gz SHYPRKODTVMLGG-UHFFFAOYSA-N -1 0 406.537 1.612 50 0 HDAARM CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000012521274 568841676 /nfs/dbraw/zinc/84/16/76/568841676.db2.gz NNPHAWUTVXUSBZ-UHFFFAOYSA-N -1 0 402.425 1.623 50 0 HDAARM CN(C)c1ccc(S(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000012605690 568871087 /nfs/dbraw/zinc/87/10/87/568871087.db2.gz GFBZVHREBDLVHL-UHFFFAOYSA-N -1 0 401.485 1.943 50 0 HDAARM Cc1cc(I)ccc1NC(=O)CSc1n[nH]c(=O)[n-]c1=O ZINC000001282720 568910771 /nfs/dbraw/zinc/91/07/71/568910771.db2.gz IPVJPAZMJKKECJ-UHFFFAOYSA-N -1 0 418.216 1.102 50 0 HDAARM CC(C)[C@@H](C(=O)NCC(=O)[O-])N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000004082529 568939367 /nfs/dbraw/zinc/93/93/67/568939367.db2.gz VUACWNFGUQDTQU-KKSFZXQISA-N -1 0 412.446 1.429 50 0 biogenic HDAARM C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-] ZINC000004090409 568942054 /nfs/dbraw/zinc/94/20/54/568942054.db2.gz JCPMQVXUXGTSDW-CJNGLKHVSA-N -1 0 410.430 1.355 50 0 biogenic HDAARM CC(C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N[C@H](C)C(=O)[O-] ZINC000004090949 568942418 /nfs/dbraw/zinc/94/24/18/568942418.db2.gz FIVYWKHQPXLMLA-KCXAZCMYSA-N -1 0 404.467 1.793 50 0 biogenic HDAARM C[C@@H](O)[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C(=O)[O-] ZINC000012909325 569021765 /nfs/dbraw/zinc/02/17/65/569021765.db2.gz DYSOBAWJFVDFEO-YGRLFVJLSA-N -1 0 404.872 1.078 50 0 HDAARM CCn1cc(-c2noc(C[N-]S(=O)(=O)c3cc(C(=O)OC)ccc3OC)n2)cn1 ZINC000575614922 569035969 /nfs/dbraw/zinc/03/59/69/569035969.db2.gz AJSBCSYGXZKSQO-UHFFFAOYSA-N -1 0 421.435 1.227 50 0 HDAARM COC(=O)c1cn(-c2ccc(-n3nc(C)cc3C)c(C(=O)[O-])c2)cc2c(=O)[nH]nc1-2 ZINC000253398893 569051485 /nfs/dbraw/zinc/05/14/85/569051485.db2.gz CJTQUIUJYXKBQX-UHFFFAOYSA-N -1 0 407.386 1.953 50 0 HDAARM COC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1n[nH]c(=O)[n-]c1=O)CCCC2 ZINC000001747329 569051732 /nfs/dbraw/zinc/05/17/32/569051732.db2.gz VSNSBDJXUJCIEG-SSDOTTSWSA-N -1 0 410.477 1.304 50 0 HDAARM CN(C)c1nnc(-c2ccc([N-]S(=O)(=O)c3cnn([C@H]4CCOC4)c3)cc2)o1 ZINC000089326999 569058601 /nfs/dbraw/zinc/05/86/01/569058601.db2.gz YVYGTEXLFFHABK-AWEZNQCLSA-N -1 0 404.452 1.761 50 0 HDAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccc5c(c4)OCO5)no3)c=2c(=O)n1-c1ccccc1 ZINC000064565326 569067009 /nfs/dbraw/zinc/06/70/09/569067009.db2.gz FUMCEZKUCZHDBV-DLBZAZTESA-N -1 0 418.369 1.959 50 0 HDAARM CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N(C)CC(=O)[O-])CC1 ZINC000006596392 569069211 /nfs/dbraw/zinc/06/92/11/569069211.db2.gz TVESNRDTDWEWKI-CJNGLKHVSA-N -1 0 413.515 1.707 50 0 biogenic HDAARM Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000089534543 569069967 /nfs/dbraw/zinc/06/99/67/569069967.db2.gz YQYKHPKFBJZSRC-LBPRGKRZSA-N -1 0 409.468 1.107 50 0 HDAARM O=CN1CC[NH+]([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(Br)ccc23)CC1 ZINC000036358003 569149421 /nfs/dbraw/zinc/14/94/21/569149421.db2.gz QOXMKQWZBUVYQR-INIZCTEOSA-N -1 0 424.251 1.388 50 0 HDAARM CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c(C)cc(=O)oc2c1C)C(=O)[O-] ZINC000002115854 569284655 /nfs/dbraw/zinc/28/46/55/569284655.db2.gz UBXKLXHFSRWLCF-WLRWDXFRSA-N -1 0 418.446 1.520 50 0 biogenic HDAARM Cc1c(C)c2ccc(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c2oc1=O ZINC000002122547 569285622 /nfs/dbraw/zinc/28/56/22/569285622.db2.gz KUEHKSIHFJBNGY-SFHVURJKSA-N -1 0 418.446 1.439 50 0 biogenic HDAARM CCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000002123151 569285785 /nfs/dbraw/zinc/28/57/85/569285785.db2.gz IOBJJQIMUJFINJ-IBGZPJMESA-N -1 0 418.446 1.384 50 0 biogenic HDAARM CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)CC2)cc1 ZINC000007737588 569304865 /nfs/dbraw/zinc/30/48/65/569304865.db2.gz HNYQMTHLQJLQHB-UHFFFAOYSA-N -1 0 404.444 1.804 50 0 HDAARM COc1cc2c(cc1OC)[C@@H](c1c([O-])n(C)c(=S)n(C)c1=O)N(C(C)=O)CC2 ZINC000002353332 569385277 /nfs/dbraw/zinc/38/52/77/569385277.db2.gz IYMABHWGXPEWQA-INIZCTEOSA-N -1 0 405.476 1.670 50 0 HDAARM NC(=O)c1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCOC[C@@H]43)C2=O)cc1 ZINC000008695448 571102544 /nfs/dbraw/zinc/10/25/44/571102544.db2.gz UBIGMYLJWPZTIS-VGOFRKELSA-N -1 0 420.425 1.657 50 0 HDAARM COc1cccc(NC(=O)CN2C(=O)N[C@@](CCC(=O)[O-])(c3ccccc3)C2=O)c1 ZINC000008844960 571125153 /nfs/dbraw/zinc/12/51/53/571125153.db2.gz FDGTXXHRKWRZRB-NRFANRHFSA-N -1 0 411.414 1.946 50 0 HDAARM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)N1C(=O)CCC1=O ZINC000009096296 571221018 /nfs/dbraw/zinc/22/10/18/571221018.db2.gz ICGVWZAEQHJWQL-JTQLQIEISA-N -1 0 408.461 1.420 50 0 HDAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000009218399 571237882 /nfs/dbraw/zinc/23/78/82/571237882.db2.gz ZAWJCRJLFBEHSK-UHFFFAOYSA-N -1 0 421.523 1.501 50 0 HDAARM Cn1c2nc3n(cc(-c4ccccc4)n3-c3ccccc3)c2c(=O)n(CC(=O)[O-])c1=O ZINC000009421345 571257157 /nfs/dbraw/zinc/25/71/57/571257157.db2.gz VZPDCXLGDDNYIW-UHFFFAOYSA-N -1 0 415.409 1.890 50 0 HDAARM COc1cccc(-c2nc3c([nH]c(=O)n3-c3ccc4c(c3)OCO4)c(C(N)=O)n2)c1[O-] ZINC000009739495 571283246 /nfs/dbraw/zinc/28/32/46/571283246.db2.gz XMAMEIRPGFVZFW-UHFFFAOYSA-N -1 0 421.369 1.318 50 0 HDAARM CCOc1cccc(-c2nc3c([nH]c(=O)n3-c3cccc(OC)c3)c(C(N)=O)n2)c1[O-] ZINC000010187997 571296225 /nfs/dbraw/zinc/29/62/25/571296225.db2.gz ALZBRDYLPHGZBY-UHFFFAOYSA-N -1 0 421.413 1.988 50 0 HDAARM CC(=O)NC1C(=O)N=C(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)N=C1[O-] ZINC000002836714 132258319 /nfs/dbraw/zinc/25/83/19/132258319.db2.gz ATNQPCAKOUNXBK-UHFFFAOYSA-N -1 0 421.454 1.014 50 0 HDAARM Cc1cccn2c(=O)c3c(nc12)N1CCCCC[C@@H]1[C@]1(C3)C(=O)[N-]C(=O)N(C)C1=O ZINC000009316413 132338495 /nfs/dbraw/zinc/33/84/95/132338495.db2.gz NVEIKRRRVVWKET-SPLOXXLWSA-N -1 0 409.446 1.003 50 0 HDAARM O=C1[N-]C(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N3CCc4ccccc4[C@H]32)C(=O)N1 ZINC000009319934 132338673 /nfs/dbraw/zinc/33/86/73/132338673.db2.gz SRMYWBRABCNWLW-INIZCTEOSA-N -1 0 415.409 1.547 50 0 HDAARM C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3cc(C(=O)[O-])ccc3O)cc2)C1=O ZINC000041195109 524750185 /nfs/dbraw/zinc/75/01/85/524750185.db2.gz FBWCEJBBERCJRL-JTQLQIEISA-N -1 0 404.400 1.655 50 0 HDAARM COc1cccc(-c2nc(CC(=O)N[C@H](CCCNC(N)=O)C(=O)[O-])cs2)c1 ZINC000032093636 525722994 /nfs/dbraw/zinc/72/29/94/525722994.db2.gz OGYAXDAMHRCAQX-CQSZACIVSA-N -1 0 406.464 1.379 50 0 HDAARM O=C(c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)N1CCNC(=O)C1 ZINC000032071655 526735962 /nfs/dbraw/zinc/73/59/62/526735962.db2.gz NOSGCDOXKKEDFA-UHFFFAOYSA-N -1 0 416.484 1.669 50 0 HDAARM Cn1c2nc(SCC(=O)[O-])n(Cc3ccc(F)cc3Cl)c2c(=O)n(C)c1=O ZINC000000870602 557107064 /nfs/dbraw/zinc/10/70/64/557107064.db2.gz KZNVQMRGHNQCKM-UHFFFAOYSA-N -1 0 412.830 1.451 50 0 HDAARM CCOC(=O)[C@H]1CCCN(C(=O)CCc2nnc(-c3ccc(OC)cc3)[n-]c2=O)C1 ZINC000034762723 557460449 /nfs/dbraw/zinc/46/04/49/557460449.db2.gz GYPBHYAGZORFAN-HNNXBMFYSA-N -1 0 414.462 1.987 50 0 HDAARM O=C(CCc1nnc(-c2cccc(Cl)c2)[n-]c1=O)NCCCN1CCOCC1 ZINC000034767931 557462741 /nfs/dbraw/zinc/46/27/41/557462741.db2.gz BCXHMCOSMKYAKZ-UHFFFAOYSA-N -1 0 405.886 1.669 50 0 HDAARM C[C@@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1OCC(=O)[O-] ZINC000006013485 557684090 /nfs/dbraw/zinc/68/40/90/557684090.db2.gz LXUGZRWYXZFAFG-SNVBAGLBSA-N -1 0 412.851 1.942 50 0 HDAARM COC(=O)[C@@H](C)Sc1nc(N)c(NC(=O)c2ccc(OC)c(OC)c2)c(=O)[n-]1 ZINC000002712658 557742289 /nfs/dbraw/zinc/74/22/89/557742289.db2.gz ZVISFMZQUCMDRZ-MRVPVSSYSA-N -1 0 408.436 1.275 50 0 HDAARM COc1ccccc1NC(=O)CSc1nc(N)c(NC(=O)c2ccco2)c(=O)[n-]1 ZINC000002712517 557746349 /nfs/dbraw/zinc/74/63/49/557746349.db2.gz WJOPTMMASQKUOV-UHFFFAOYSA-N -1 0 415.431 1.937 50 0 HDAARM CCCCN1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)CC1=O ZINC000009668814 557848038 /nfs/dbraw/zinc/84/80/38/557848038.db2.gz DDELUYMEGBZXGH-AWEZNQCLSA-N -1 0 417.491 1.865 50 0 HDAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1OC ZINC000009674474 557848334 /nfs/dbraw/zinc/84/83/34/557848334.db2.gz PZLHQJVYXYHUTE-RBUKOAKNSA-N -1 0 423.429 1.944 50 0 HDAARM CCC(NCCCN1CCOCC1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000020291486 558353830 /nfs/dbraw/zinc/35/38/30/558353830.db2.gz FZAUPQASGIPDSW-WUKNDPDISA-N -1 0 420.897 1.899 50 0 HDAARM CN(C)C(=O)CN1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(Br)cc32)CC1 ZINC000020720890 558402729 /nfs/dbraw/zinc/40/27/29/558402729.db2.gz WJWSMGKXXCLFBP-KRWDZBQOSA-N -1 0 423.311 1.762 50 0 HDAARM CC[C@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000013557328 558540320 /nfs/dbraw/zinc/54/03/20/558540320.db2.gz WBVBIWNYJCUTPY-MRHIQRDNSA-N -1 0 407.442 1.299 50 0 HDAARM C[C@@H](O)[C@H](NC(=O)c1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1)C(=O)[O-] ZINC000013591526 558546158 /nfs/dbraw/zinc/54/61/58/558546158.db2.gz AQQCHNKVQKIQAS-UUWFMWQGSA-N -1 0 423.425 1.144 50 0 HDAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1ccc2c(c1)OCO2 ZINC000004483554 558602893 /nfs/dbraw/zinc/60/28/93/558602893.db2.gz UGWLXVSUNFMQPV-IAGOWNOFSA-N -1 0 411.349 1.486 50 0 HDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003866376 558780403 /nfs/dbraw/zinc/78/04/03/558780403.db2.gz RZQWIVSBRCUTMN-SFHVURJKSA-N -1 0 402.472 1.897 50 0 HDAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C ZINC000055108214 558872871 /nfs/dbraw/zinc/87/28/71/558872871.db2.gz MJAGEWGKCSSCLC-QGZVFWFLSA-N -1 0 413.478 1.222 50 0 HDAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc5c(c4)OCCO5)c=3c2=O)cc1 ZINC000100033219 559128919 /nfs/dbraw/zinc/12/89/19/559128919.db2.gz GRNXMMJNDSZWEV-RBUKOAKNSA-N -1 0 421.413 1.698 50 0 HDAARM CC(C)[C@@H](C(=O)N1CCc2nc([N-]S(C)(=O)=O)sc2C1)N1CCCC1=O ZINC000408515423 559213022 /nfs/dbraw/zinc/21/30/22/559213022.db2.gz PJSVOKIANGZIJJ-AWEZNQCLSA-N -1 0 400.526 1.046 50 0 HDAARM COc1cc2c(cc1OC)CN(Cc1c([O-])occ(CN3CCOCC3)c1=O)CC2 ZINC000100796398 559268251 /nfs/dbraw/zinc/26/82/51/559268251.db2.gz JFUONYRYYLGCKN-UHFFFAOYSA-N -1 0 416.474 1.753 50 0 biogenic HDAARM NC(=O)COc1ccc(C2=NO[C@@](CC(=O)[O-])(C(=O)NC3CCCCC3)C2)cc1 ZINC000005483744 560596687 /nfs/dbraw/zinc/59/66/87/560596687.db2.gz PVBGQNIZHWPURJ-FQEVSTJZSA-N -1 0 403.435 1.338 50 0 HDAARM COc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)NCCC(=O)[O-])cc1 ZINC000004552587 560607314 /nfs/dbraw/zinc/60/73/14/560607314.db2.gz GNCGIIAJYIRJEQ-YBEGLDIGSA-N -1 0 412.398 1.786 50 0 HDAARM Nn1c(=O)c(CCC(=O)[O-])nnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000012347535 568493937 /nfs/dbraw/zinc/49/39/37/568493937.db2.gz IRNJXSTWAYYLME-UHFFFAOYSA-N -1 0 418.262 1.407 50 0 HDAARM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(=O)[N-]OCc1ccccc1)[C@@H](O)C(C)C ZINC000601014192 568587375 /nfs/dbraw/zinc/58/73/75/568587375.db2.gz ATJWSVXXJYKXSU-QYZOEREBSA-N -1 0 407.511 1.287 50 0 HDAARM Cc1oc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)c1C(=O)[O-] ZINC000095425210 568607917 /nfs/dbraw/zinc/60/79/17/568607917.db2.gz HBISGPPBHPMIPY-UHFFFAOYSA-N -1 0 422.463 1.342 50 0 HDAARM CCn1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCC(C(N)=O)CC2)nc1C ZINC000095453670 568615997 /nfs/dbraw/zinc/61/59/97/568615997.db2.gz YURHUJCRFSWWFV-UHFFFAOYSA-N -1 0 419.507 1.350 50 0 HDAARM Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3cccc(C(=O)[O-])n3)C2)cc1 ZINC000095969719 568671220 /nfs/dbraw/zinc/67/12/20/568671220.db2.gz NHVORTSPKMZKEJ-OAHLLOKOSA-N -1 0 417.487 1.919 50 0 HDAARM COCCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000095970288 568671368 /nfs/dbraw/zinc/67/13/68/568671368.db2.gz UYMKLMWSNBNTDL-KSSFIOAISA-N -1 0 420.487 1.803 50 0 HDAARM COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c(O)cc(C)n(CC(=O)[O-])c1=O ZINC000096222933 568706119 /nfs/dbraw/zinc/70/61/19/568706119.db2.gz PKOXJTIIRUXODD-GFCCVEGCSA-N -1 0 421.402 1.365 50 0 biogenic HDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)CSc2nnc(-c3ccccn3)n2C)cc1 ZINC000253400952 568754045 /nfs/dbraw/zinc/75/40/45/568754045.db2.gz CZOBMOFMFYEQPG-UHFFFAOYSA-N -1 0 403.489 1.783 50 0 HDAARM COC(=O)[C@@H](NC(=O)N1CCc2nc3cc(-c4ccccc4)[n-]n3c(=O)c2C1)C(C)C ZINC000097097713 568767911 /nfs/dbraw/zinc/76/79/11/568767911.db2.gz SPWFVKFPIQJDNS-IBGZPJMESA-N -1 0 423.473 1.955 50 0 HDAARM CCc1nc2sc([C@H](c3ccccc3F)N3CCN(CCO)CC3)c([O-])n2n1 ZINC000022578230 568770418 /nfs/dbraw/zinc/77/04/18/568770418.db2.gz UXSGPCKOKSYGPB-INIZCTEOSA-N -1 0 405.499 1.897 50 0 HDAARM CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3nn(C)c(C(F)(F)F)c3Cl)[C@H]2SC1 ZINC000002783594 568808701 /nfs/dbraw/zinc/80/87/01/568808701.db2.gz HDVUMAIUFSHNAZ-JMCQJSRRSA-N -1 0 424.788 1.464 50 0 HDAARM CCOC(=O)/C=C\C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000005927721 568829798 /nfs/dbraw/zinc/82/97/98/568829798.db2.gz OEMMRJFFDYFHFU-KTKRTIGZSA-N -1 0 404.448 1.952 50 0 HDAARM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)OC)cc(C(=O)OC)c2)c1 ZINC000012557151 568856225 /nfs/dbraw/zinc/85/62/25/568856225.db2.gz QYJSOPLHJGGBSW-UHFFFAOYSA-N -1 0 407.400 1.847 50 0 HDAARM COc1cc2c(cc(C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)[O-])C(C)C)n2C)c(OC)c1 ZINC000004000327 568932261 /nfs/dbraw/zinc/93/22/61/568932261.db2.gz OBULSCDSWGLKOV-GTNSWQLSSA-N -1 0 405.451 1.539 50 0 biogenic HDAARM CC(C)C[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000004090921 568942248 /nfs/dbraw/zinc/94/22/48/568942248.db2.gz ABGLMHPLWOWSIG-HOCLYGCPSA-N -1 0 402.451 1.645 50 0 biogenic HDAARM CCC(=O)N1N=C(c2c([O-])[nH]c(=S)n(C)c2=O)C[C@H]1c1ccc2c(c1)OCO2 ZINC000015670677 568961853 /nfs/dbraw/zinc/96/18/53/568961853.db2.gz IZTNIMKRPCWPGL-NSHDSACASA-N -1 0 402.432 1.965 50 0 HDAARM COc1ccc(C(=O)N/C(=C\c2ccc(OC)c(OC)c2)C(=O)NCC(=O)[O-])cc1 ZINC000038203928 568978949 /nfs/dbraw/zinc/97/89/49/568978949.db2.gz UXGIXTLIYJHSNE-YBEGLDIGSA-N -1 0 414.414 1.684 50 0 HDAARM C[C@@H](NC(=O)[C@H](C)NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000006166286 569016177 /nfs/dbraw/zinc/01/61/77/569016177.db2.gz PSAMEINAOGIZIW-NWDGAFQWSA-N -1 0 416.430 1.145 50 0 HDAARM C[C@H](O)[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C(=O)[O-] ZINC000012909321 569021748 /nfs/dbraw/zinc/02/17/48/569021748.db2.gz DYSOBAWJFVDFEO-IINYFYTJSA-N -1 0 404.872 1.078 50 0 HDAARM Cc1ccnc2nc(C(=O)Nc3c4ccccc4oc3C(=O)N3CCOCC3)nn21 ZINC000012934477 569026033 /nfs/dbraw/zinc/02/60/33/569026033.db2.gz ZNSPLCORMKFWLX-UHFFFAOYSA-N -1 0 406.402 1.904 50 0 HDAARM COCCNC(=O)CN1CCN(c2ccc(NC(=O)C3CCC3)c(C(=O)[O-])c2)CC1 ZINC000035482714 569039557 /nfs/dbraw/zinc/03/95/57/569039557.db2.gz LEOSCLQUBJBUKE-UHFFFAOYSA-N -1 0 418.494 1.008 50 0 HDAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cc2n(n1)CCCO2 ZINC000090583669 569041318 /nfs/dbraw/zinc/04/13/18/569041318.db2.gz KYKPDSUXFFROEZ-UHFFFAOYSA-N -1 0 400.420 1.509 50 0 HDAARM CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)[N-]c4nccs4)cc32)no1 ZINC000064450627 569062579 /nfs/dbraw/zinc/06/25/79/569062579.db2.gz DFVLESZFFPHLLH-UHFFFAOYSA-N -1 0 421.460 1.815 50 0 HDAARM COCC(=O)Nc1ccc(N2CCN(CC(=O)N3CCCCC3)CC2)cc1C(=O)[O-] ZINC000064589870 569069158 /nfs/dbraw/zinc/06/91/58/569069158.db2.gz JLTCXYJFUKQZHQ-UHFFFAOYSA-N -1 0 418.494 1.104 50 0 HDAARM O=C([O-])CNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCn2c3ccccc3nc21 ZINC000006624194 569075516 /nfs/dbraw/zinc/07/55/16/569075516.db2.gz RTEHCXXYXNYRPO-INIZCTEOSA-N -1 0 407.430 1.378 50 0 biogenic HDAARM O=C(NCCN1CCOCC1)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000065215701 569197536 /nfs/dbraw/zinc/19/75/36/569197536.db2.gz YPNUJIJOBRVYPP-UHFFFAOYSA-N -1 0 413.499 1.879 50 0 HDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000007054795 569214315 /nfs/dbraw/zinc/21/43/15/569214315.db2.gz MGHZQDZEVOPNSF-UHFFFAOYSA-N -1 0 422.507 1.765 50 0 HDAARM CC(C)CN(C(=O)COC(=O)c1ccc(Cl)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000007199925 569228409 /nfs/dbraw/zinc/22/84/09/569228409.db2.gz ZJWAAHLGUVHYIC-CYBMUJFWSA-N -1 0 403.884 1.874 50 0 HDAARM O=S(=O)([N-]c1nccs1)c1ccc(S(=O)(=O)NCc2ccon2)cc1 ZINC000170598633 569242554 /nfs/dbraw/zinc/24/25/54/569242554.db2.gz FASKNSQPPMZMEY-UHFFFAOYSA-N -1 0 400.463 1.410 50 0 HDAARM CSCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)[O-] ZINC000002083408 569279663 /nfs/dbraw/zinc/27/96/63/569279663.db2.gz ZPUIRJDHSSKASI-MRXNPFEDSA-N -1 0 414.549 1.718 50 0 HDAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000006731491 569280108 /nfs/dbraw/zinc/28/01/08/569280108.db2.gz FXZBYQWHEGCTQW-GNNGFNCTSA-N -1 0 424.494 1.796 50 0 HDAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000002111570 569284089 /nfs/dbraw/zinc/28/40/89/569284089.db2.gz DSAZMYNVUKSJTB-INIZCTEOSA-N -1 0 418.446 1.471 50 0 biogenic HDAARM CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCC(=O)NCC(=O)[O-])c12 ZINC000002123347 569285696 /nfs/dbraw/zinc/28/56/96/569285696.db2.gz ZNSRBZLZJLBBOZ-GFCCVEGCSA-N -1 0 404.419 1.138 50 0 biogenic HDAARM CCCc1nn2c([n-]1)nc(C)c(NS(=O)(=O)c1ccc(OC)c(OC)c1)c2=O ZINC000013364238 569412094 /nfs/dbraw/zinc/41/20/94/569412094.db2.gz NFHTYFQIVKHWFP-UHFFFAOYSA-N -1 0 407.452 1.909 50 0 HDAARM NC(=O)c1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CCOC[C@@H]43)C2=O)cc1 ZINC000008695449 571102600 /nfs/dbraw/zinc/10/26/00/571102600.db2.gz UBIGMYLJWPZTIS-VGSWGCGISA-N -1 0 420.425 1.657 50 0 HDAARM COCCN1C(=S)N[C@H](c2ccc(OCCC(=O)[O-])cc2)C(C(=O)OC)=C1C ZINC000040152363 571200117 /nfs/dbraw/zinc/20/01/17/571200117.db2.gz KMLWJYRNLIMOKS-QGZVFWFLSA-N -1 0 408.476 1.865 50 0 HDAARM COc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1S(N)(=O)=O ZINC000009491989 571262913 /nfs/dbraw/zinc/26/29/13/571262913.db2.gz NYXIXGNDXQXUMN-UHFFFAOYSA-N -1 0 421.294 1.906 50 0 HDAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1 ZINC000009675171 571278856 /nfs/dbraw/zinc/27/88/56/571278856.db2.gz PDXLTVBMVKESBV-SJORKVTESA-N -1 0 415.356 1.905 50 0 HDAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc5c(c4)OCO5)c=3c2=O)cc1C ZINC000021778245 571314908 /nfs/dbraw/zinc/31/49/08/571314908.db2.gz MVAHQIYPICVHPI-RBUKOAKNSA-N -1 0 421.413 1.964 50 0 HDAARM C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)cc2)C1=O ZINC000041182027 524749093 /nfs/dbraw/zinc/74/90/93/524749093.db2.gz IGMPXNYRXGKSKX-JTQLQIEISA-N -1 0 404.400 1.655 50 0 HDAARM O=C([O-])C1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000032918826 527564606 /nfs/dbraw/zinc/56/46/06/527564606.db2.gz UYRHLRYXSPJNQA-UHFFFAOYSA-N -1 0 403.482 1.098 50 0 HDAARM CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)[O-])ccc21 ZINC000001432478 557262603 /nfs/dbraw/zinc/26/26/03/557262603.db2.gz WKHMPNQICIBNJR-KRWDZBQOSA-N -1 0 406.435 1.709 50 0 HDAARM CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-] ZINC000002545160 557355744 /nfs/dbraw/zinc/35/57/44/557355744.db2.gz ZOIMHPVNJYGOEJ-AWEZNQCLSA-N -1 0 408.480 1.086 50 0 HDAARM COc1ccccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1 ZINC000005943896 557681854 /nfs/dbraw/zinc/68/18/54/557681854.db2.gz USJGUTHYTUAXSM-UHFFFAOYSA-N -1 0 407.473 1.647 50 0 HDAARM Nc1nc(SCC(=O)NCCc2ccccc2)[n-]c(=O)c1NC(=O)c1ccco1 ZINC000002712541 557742335 /nfs/dbraw/zinc/74/23/35/557742335.db2.gz RIWGYMLSKZWJSK-UHFFFAOYSA-N -1 0 413.459 1.648 50 0 HDAARM Cc1c2c(cc(=O)n1CCc1ccc(S(N)(=O)=O)cc1)[n-]n(-c1ccccc1)c2=O ZINC000012408794 558399585 /nfs/dbraw/zinc/39/95/85/558399585.db2.gz AYPFZCURSFJVQS-UHFFFAOYSA-N -1 0 424.482 1.679 50 0 HDAARM Cn1c2ccccc2c2nnc(SCc3c(C(=O)[O-])nnn3-c3nonc3N)nc21 ZINC000012428113 558403741 /nfs/dbraw/zinc/40/37/41/558403741.db2.gz FFUMTYNPMWVHMY-UHFFFAOYSA-N -1 0 424.406 1.053 50 0 HDAARM CN(Cc1n[nH]c(=O)[n-]1)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000020869483 558418277 /nfs/dbraw/zinc/41/82/77/558418277.db2.gz MXJSHQHPHXTBMG-UHFFFAOYSA-N -1 0 405.462 1.650 50 0 HDAARM O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000004371767 558472496 /nfs/dbraw/zinc/47/24/96/558472496.db2.gz KCXHHHJOTLOQKD-ZDUSSCGKSA-N -1 0 409.489 1.646 50 0 HDAARM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2cnc3c(c2)c(C)nn3C)c1 ZINC000022959360 558528006 /nfs/dbraw/zinc/52/80/06/558528006.db2.gz FNSYDNUPUBPPPT-UHFFFAOYSA-N -1 0 418.431 1.651 50 0 HDAARM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cc1Cl ZINC000072304016 558756772 /nfs/dbraw/zinc/75/67/72/558756772.db2.gz NBLZCSDSPRCMLG-UHFFFAOYSA-N -1 0 423.834 1.891 50 0 HDAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 ZINC000002989272 558780178 /nfs/dbraw/zinc/78/01/78/558780178.db2.gz VKWBFVCJTYULKJ-SJORKVTESA-N -1 0 410.426 1.832 50 0 HDAARM COC(=O)[C@@H](NC(=O)N1CCc2c(nc3cc(-c4ccccc4)[n-]n3c2=O)C1)C(C)C ZINC000097096987 558992169 /nfs/dbraw/zinc/99/21/69/558992169.db2.gz LQZRURDKCCJDMT-IBGZPJMESA-N -1 0 423.473 1.955 50 0 HDAARM CC[C@H](OC)C(=O)N1CCc2ccc(S(=O)(=O)[N-]c3nnc(C)s3)cc2C1 ZINC000077423891 559004598 /nfs/dbraw/zinc/00/45/98/559004598.db2.gz ZMXXOCJWOKMHPS-HNNXBMFYSA-N -1 0 410.521 1.957 50 0 HDAARM COc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C(=O)[O-] ZINC000004755015 559051276 /nfs/dbraw/zinc/05/12/76/559051276.db2.gz HLYAZCVBFQWLEE-UHFFFAOYSA-N -1 0 417.443 1.992 50 0 HDAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc5c(c4)OCCO5)c=3c2=O)cc1 ZINC000098212471 559127700 /nfs/dbraw/zinc/12/77/00/559127700.db2.gz GRNXMMJNDSZWEV-OALUTQOASA-N -1 0 421.413 1.698 50 0 HDAARM CCc1ccc(NC(=O)NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1 ZINC000100034089 559129038 /nfs/dbraw/zinc/12/90/38/559129038.db2.gz GIVPNWVZJVPCQT-QZTJIDSGSA-N -1 0 420.429 1.891 50 0 HDAARM Cc1c(C)[n+]([O-])c([C@@H](c2ccc(O)c(Cl)c2)c2c([O-])n(C)c(=O)n(C)c2=O)n1C ZINC000409415357 559251189 /nfs/dbraw/zinc/25/11/89/559251189.db2.gz CIPKOFARDBOPGP-AWEZNQCLSA-N -1 0 420.853 1.433 50 0 HDAARM COCCS(=O)(=O)Cc1cccc(S(=O)(=O)N2[C@@H](C(=O)[O-])CCC2(C)C)c1 ZINC000252488014 559277495 /nfs/dbraw/zinc/27/74/95/559277495.db2.gz IGXQRPLBGKUGKG-OAHLLOKOSA-N -1 0 419.521 1.264 50 0 HDAARM CSCC[C@H](NC(=O)Cn1nc(-c2ccc(SC)cc2)ccc1=O)C(=O)[O-] ZINC000061717472 559292636 /nfs/dbraw/zinc/29/26/36/559292636.db2.gz XHEYYLZPZSURTA-HNNXBMFYSA-N -1 0 407.517 1.955 50 0 HDAARM COC(=O)CNC(=O)c1cccc(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)c1 ZINC000078903004 560540569 /nfs/dbraw/zinc/54/05/69/560540569.db2.gz DQWCMUOZVKXVOU-UHFFFAOYSA-N -1 0 408.414 1.629 50 0 HDAARM COc1ccc(OC)c([C@@H]2CC(c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3[O-])=NN2)c1 ZINC000101762305 560800510 /nfs/dbraw/zinc/80/05/10/560800510.db2.gz QUJAEVVMAOLJOE-INIZCTEOSA-N -1 0 422.441 1.746 50 0 HDAARM COc1ccccc1-n1c(=O)[nH]c([O-])c(C2=NN[C@H](c3ccc4c(c3)OCO4)C2)c1=O ZINC000101762822 560800714 /nfs/dbraw/zinc/80/07/14/560800714.db2.gz HQFLHTIYSZPOCC-LBPRGKRZSA-N -1 0 422.397 1.407 50 0 HDAARM Cc1[n-]n(Cc2c(Cl)cccc2Cl)c(=O)c1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000101901838 560803718 /nfs/dbraw/zinc/80/37/18/560803718.db2.gz GWOIKHWXQAUTEJ-QMTHXVAHSA-N -1 0 418.302 1.631 50 0 HDAARM COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])n2)cc1OC ZINC000049543909 568451228 /nfs/dbraw/zinc/45/12/28/568451228.db2.gz ASPNGFDVASHNHE-HNNXBMFYSA-N -1 0 403.435 1.543 50 0 HDAARM O=C(NCc1nc(=O)o[n-]1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000095448212 568612741 /nfs/dbraw/zinc/61/27/41/568612741.db2.gz ASUUIEORZNPRAL-UHFFFAOYSA-N -1 0 400.844 1.533 50 0 HDAARM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ncn(Cc3ccncc3)n2)c1 ZINC000241644350 568731541 /nfs/dbraw/zinc/73/15/41/568731541.db2.gz PQBVXRDQTRPKCC-UHFFFAOYSA-N -1 0 405.411 1.838 50 0 HDAARM CCc1nc2sc([C@@H](c3ccccc3F)N3CCN(CCO)CC3)c([O-])n2n1 ZINC000022578225 568770470 /nfs/dbraw/zinc/77/04/70/568770470.db2.gz UXSGPCKOKSYGPB-MRXNPFEDSA-N -1 0 405.499 1.897 50 0 HDAARM CCCC(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnc(C)s3)CS[C@H]12 ZINC000002803251 568811336 /nfs/dbraw/zinc/81/13/36/568811336.db2.gz MKMHIATWCCLREP-ZWNOBZJWSA-N -1 0 414.534 1.477 50 0 HDAARM COC(=O)c1sc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])c(C(=O)OC)c1C ZINC000003350675 568885704 /nfs/dbraw/zinc/88/57/04/568885704.db2.gz YIVHHQXOVFXCRY-VIFPVBQESA-N -1 0 405.450 1.258 50 0 HDAARM COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCOC[C@@H]43)C2=O)cc1 ZINC000008695442 568938463 /nfs/dbraw/zinc/93/84/63/568938463.db2.gz ZLYAYEXGIWYEGH-XMSQKQJNSA-N -1 0 407.426 1.726 50 0 HDAARM C[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)[O-] ZINC000004084293 568939678 /nfs/dbraw/zinc/93/96/78/568939678.db2.gz PPXBNKSAYXGKND-ACKFJWLVSA-N -1 0 405.476 1.129 50 0 biogenic HDAARM CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccsc2C(=O)OC)cc1 ZINC000012816242 568989738 /nfs/dbraw/zinc/98/97/38/568989738.db2.gz GHDUNEUNJAEUBV-UHFFFAOYSA-N -1 0 404.491 1.634 50 0 HDAARM Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000008393153 568998519 /nfs/dbraw/zinc/99/85/19/568998519.db2.gz RQWRTPJCMGHSAK-UHFFFAOYSA-N -1 0 417.487 1.909 50 0 HDAARM COc1cc2c(cc1[N-]S(C)(=O)=O)c(C(=O)OC(C)C)c(C)n2S(C)(=O)=O ZINC000006142923 569014350 /nfs/dbraw/zinc/01/43/50/569014350.db2.gz DKAZVOFEYPBUPG-UHFFFAOYSA-N -1 0 418.493 1.703 50 0 HDAARM CCc1nc(C2(NC(=O)Cc3c(C)nc(-c4ncccn4)[n-]c3=O)CCCC2)no1 ZINC000089289986 569058142 /nfs/dbraw/zinc/05/81/42/569058142.db2.gz GEEZVBOVWBPGCS-UHFFFAOYSA-N -1 0 409.450 1.609 50 0 HDAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C(=O)OC)cc1 ZINC000006623310 569075041 /nfs/dbraw/zinc/07/50/41/569075041.db2.gz XVMANWYRTCWBAJ-UHFFFAOYSA-N -1 0 407.400 1.847 50 0 HDAARM CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)C(=O)[O-] ZINC000006645532 569079239 /nfs/dbraw/zinc/07/92/39/569079239.db2.gz RROSPHHFDVJEEB-CPUCHLNUSA-N -1 0 412.508 1.711 50 0 HDAARM COc1cccc(C(=O)[N-]S(=O)(=O)c2cncc(Br)c2)c1OC ZINC000065609158 569237519 /nfs/dbraw/zinc/23/75/19/569237519.db2.gz GADBBHMMTGIEMH-UHFFFAOYSA-N -1 0 401.238 1.980 50 0 HDAARM Cc1cnn(-c2ccc(S(N)(=O)=O)cc2[N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000089639168 569261665 /nfs/dbraw/zinc/26/16/65/569261665.db2.gz SUYIEZYCGSDLOT-UHFFFAOYSA-N -1 0 406.489 1.937 50 0 HDAARM CN(C)c1nc(N)nc(CSc2nnnn2-c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000002878008 569278388 /nfs/dbraw/zinc/27/83/88/569278388.db2.gz ITKVDWOFAIQSNK-UHFFFAOYSA-N -1 0 407.847 1.139 50 0 HDAARM CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1cc(C)cc2oc(=O)cc(C)c12)C(=O)[O-] ZINC000002118003 569284845 /nfs/dbraw/zinc/28/48/45/569284845.db2.gz GBQJOVPYTAIKPU-YUNKPMOVSA-N -1 0 418.446 1.520 50 0 biogenic HDAARM CSCC[C@H](NC(=O)[C@H](CC(C)C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000002130193 569286416 /nfs/dbraw/zinc/28/64/16/569286416.db2.gz DRGFQQPMFAXLQF-GJZGRUSLSA-N -1 0 407.492 1.600 50 0 biogenic HDAARM COC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000007725833 569303234 /nfs/dbraw/zinc/30/32/34/569303234.db2.gz AFAXSXIROSIPGT-UHFFFAOYSA-N -1 0 402.350 1.808 50 0 HDAARM CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cc1 ZINC000079044931 569425152 /nfs/dbraw/zinc/42/51/52/569425152.db2.gz JFGMQEFOWFRHEF-UHFFFAOYSA-N -1 0 420.415 1.714 50 0 HDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3cc(C)ccc3C)[C@@H]2SC1 ZINC000008549597 571077923 /nfs/dbraw/zinc/07/79/23/571077923.db2.gz CDXCKCJXRMXOOX-KSSFIOAISA-N -1 0 404.444 1.219 50 0 HDAARM CC(C)[C@@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)c2ccccc2n(C)c1=O)C(=O)[O-] ZINC000008791253 571119748 /nfs/dbraw/zinc/11/97/48/571119748.db2.gz QHKMPTBAXJYVEG-RBUKOAKNSA-N -1 0 423.469 1.709 50 0 biogenic HDAARM CCSc1nnc([N-]C(=O)c2sccc2S(=O)(=O)N2CCOCC2)s1 ZINC000009057928 571217057 /nfs/dbraw/zinc/21/70/57/571217057.db2.gz GRTVORBKYKVBDA-UHFFFAOYSA-N -1 0 420.563 1.985 50 0 HDAARM C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000009109409 571222450 /nfs/dbraw/zinc/22/24/50/571222450.db2.gz GYOJIGOZFOQNOB-XIKOKIGWSA-N -1 0 420.425 1.544 50 0 biogenic HDAARM Cc1nn(C)c2ncc(NC(=O)c3nc4n(n3)-c3ccccc3S(=O)(=O)[N-]4)cc12 ZINC000069459925 571228298 /nfs/dbraw/zinc/22/82/98/571228298.db2.gz JEICDHQUSYOMOE-UHFFFAOYSA-N -1 0 410.419 1.224 50 0 HDAARM COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1 ZINC000009675164 571278888 /nfs/dbraw/zinc/27/88/88/571278888.db2.gz BZHWFDOPDJTJEV-SJORKVTESA-N -1 0 415.356 1.905 50 0 HDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4C)c=3c2=O)cc1OC ZINC000009675522 571278945 /nfs/dbraw/zinc/27/89/45/571278945.db2.gz PTQMBLRHERCXLE-MOPGFXCFSA-N -1 0 423.429 1.944 50 0 HDAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CSCCC(=O)N3)cc2)c1C ZINC000077101326 571311575 /nfs/dbraw/zinc/31/15/75/571311575.db2.gz SIZPBMSTAZCDMU-AWEZNQCLSA-N -1 0 424.504 1.652 50 0 HDAARM O=C([O-])[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000003866374 939030667 /nfs/dbraw/zinc/03/06/67/939030667.db2.gz MTCIQFSSWMOBQI-KRWDZBQOSA-N -1 0 404.444 1.263 50 0 HDAARM O=C([O-])[C@H](CCC(=O)N1CCN(c2ccccn2)CC1)N1C(=O)c2ccccc2C1=O ZINC000009328644 132232639 /nfs/dbraw/zinc/23/26/39/132232639.db2.gz FTHOULKZIBZNEE-KRWDZBQOSA-N -1 0 422.441 1.260 50 0 HDAARM Cc1c(Cl)cccc1N1CCCn2c1nc1c2c(=O)n(CC(=O)[O-])c(=O)n1C ZINC000004370751 132276061 /nfs/dbraw/zinc/27/60/61/132276061.db2.gz DMAZNBYBTSMTLM-UHFFFAOYSA-N -1 0 403.826 1.485 50 0 HDAARM Cc1cccn2c(=O)c3c(nc12)N1CCCCC[C@H]1[C@]1(C3)C(=O)[N-]C(=O)N(C)C1=O ZINC000009316421 132338483 /nfs/dbraw/zinc/33/84/83/132338483.db2.gz NVEIKRRRVVWKET-LHSJRXKWSA-N -1 0 409.446 1.003 50 0 HDAARM O=C(NCCCc1n[nH]c(=O)[n-]1)c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC000072311596 526280385 /nfs/dbraw/zinc/28/03/85/526280385.db2.gz BDFKIIRKAMQFJD-UHFFFAOYSA-N -1 0 421.504 1.001 50 0 HDAARM Cn1c(=O)oc2cc(S(=O)(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])ccc21 ZINC000041091475 527039568 /nfs/dbraw/zinc/03/95/68/527039568.db2.gz PJBMJYQOPKSMHZ-OAHLLOKOSA-N -1 0 415.427 1.587 50 0 HDAARM COCCCNC(=O)c1nc2ccccc2c(=O)n1[N-]C(=O)c1c(F)cccc1F ZINC000003162348 557452056 /nfs/dbraw/zinc/45/20/56/557452056.db2.gz USUAFKAFCQXQHG-UHFFFAOYSA-N -1 0 416.384 1.825 50 0 HDAARM Nc1c(I)cc(C(=O)[O-])c(O)c1I ZINC000004558890 557568022 /nfs/dbraw/zinc/56/80/22/557568022.db2.gz FSJFOJCPPGAWML-UHFFFAOYSA-N -1 0 404.929 1.882 50 0 HDAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)nc(OC)n1 ZINC000009095003 557823550 /nfs/dbraw/zinc/82/35/50/557823550.db2.gz SEXORZHRAGGLRO-UHFFFAOYSA-N -1 0 415.431 1.942 50 0 HDAARM CCOC(=O)c1ccc(NC(=O)[C@H](C)SC2=NC(=O)C(NC(C)=O)C([O-])=N2)cc1 ZINC000010059008 557854559 /nfs/dbraw/zinc/85/45/59/557854559.db2.gz YVVHOSPYNDWZTM-VIFPVBQESA-N -1 0 420.447 1.730 50 0 HDAARM O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000020730081 558406099 /nfs/dbraw/zinc/40/60/99/558406099.db2.gz XDXGLZFOQVEFNF-IBGZPJMESA-N -1 0 420.897 1.423 50 0 HDAARM CSc1nc([O-])c(C(c2ccncc2)C2C(=O)N=C(SC)NC2=O)c(=O)[nH]1 ZINC000022358546 558483087 /nfs/dbraw/zinc/48/30/87/558483087.db2.gz RFSYFINMAYHLPU-UHFFFAOYSA-N -1 0 405.461 1.283 50 0 HDAARM COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)cc1NC(C)=O ZINC000013262011 558528142 /nfs/dbraw/zinc/52/81/42/558528142.db2.gz YRKCMIQSUNRSRI-UHFFFAOYSA-N -1 0 421.431 1.269 50 0 HDAARM CCCN1C(=O)N=NC1SCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000013394328 558531520 /nfs/dbraw/zinc/53/15/20/558531520.db2.gz ROUVUBIBVCENTC-CQSZACIVSA-N -1 0 403.464 1.779 50 0 HDAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000023144897 558538112 /nfs/dbraw/zinc/53/81/12/558538112.db2.gz LRPLXSIZAMGBCB-UHFFFAOYSA-N -1 0 403.409 1.737 50 0 HDAARM COc1ccc(Cl)cc1-n1c(C)cn2c1nc1c2c(=O)n(CC(=O)[O-])c(=O)n1C ZINC000013692443 558573912 /nfs/dbraw/zinc/57/39/12/558573912.db2.gz LCVUNHFTBBLSJO-UHFFFAOYSA-N -1 0 417.809 1.194 50 0 HDAARM CCOC(=O)N1CCN(C(=O)c2ccc3nc([N-]S(C)(=O)=O)sc3c2)CC1 ZINC000013722926 558582938 /nfs/dbraw/zinc/58/29/38/558582938.db2.gz DDUOYDFVCLDVRR-UHFFFAOYSA-N -1 0 412.493 1.582 50 0 HDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)C[C@@H](C)c3ccccc3)[C@@H]2SC1 ZINC000013959952 558608367 /nfs/dbraw/zinc/60/83/67/558608367.db2.gz NFWOAGOKRSGCBI-DQNAHFDYSA-N -1 0 418.471 1.482 50 0 HDAARM COc1cc(/C=C2\NC(=O)[N-]C2=O)cc(I)c1OC(C)=O ZINC000015931894 558762755 /nfs/dbraw/zinc/76/27/55/558762755.db2.gz UWNKRXGWVMXTQU-WTKPLQERSA-N -1 0 402.144 1.405 50 0 HDAARM O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccccc2)[C@]1([N-]c1ncccn1)C(F)(F)F ZINC000004196040 558780730 /nfs/dbraw/zinc/78/07/30/558780730.db2.gz LCPVROGYWQRVQV-MRXNPFEDSA-N -1 0 404.308 1.138 50 0 HDAARM O=C([O-])c1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1 ZINC000034874254 558786367 /nfs/dbraw/zinc/78/63/67/558786367.db2.gz DCMIZRRZFBWZJK-UHFFFAOYSA-N -1 0 410.473 1.970 50 0 HDAARM COCCCN1C(=O)[N-]C(=O)C(=C2C[C@@H](c3ccc(OC)c(OC)c3)NN2)C1=O ZINC000017028554 558812419 /nfs/dbraw/zinc/81/24/19/558812419.db2.gz URWITPLVQVNSIX-OFEBGVABSA-N -1 0 404.423 1.452 50 0 HDAARM CCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])CC2)cc1 ZINC000017088017 558816792 /nfs/dbraw/zinc/81/67/92/558816792.db2.gz SOVOGVMUWDGPJI-MSOLQXFVSA-N -1 0 408.520 1.973 50 0 HDAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000017089287 558817999 /nfs/dbraw/zinc/81/79/99/558817999.db2.gz YZJWNMTVSLCDMH-GMEATFMZSA-N -1 0 412.533 1.718 50 0 HDAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C ZINC000055108212 558872803 /nfs/dbraw/zinc/87/28/03/558872803.db2.gz MJAGEWGKCSSCLC-KRWDZBQOSA-N -1 0 413.478 1.222 50 0 HDAARM COC(=O)c1[n-]n(-c2ccc(OC)cc2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2 ZINC000100942953 559142190 /nfs/dbraw/zinc/14/21/90/559142190.db2.gz RQMYNOQGZLVAKN-AEFFLSMTSA-N -1 0 409.398 1.611 50 0 HDAARM CC(C)[C@H](C(=O)N1CCc2nc([N-]S(C)(=O)=O)sc2C1)N1CCCC1=O ZINC000408515424 559213048 /nfs/dbraw/zinc/21/30/48/559213048.db2.gz PJSVOKIANGZIJJ-CQSZACIVSA-N -1 0 400.526 1.046 50 0 HDAARM CS(=O)(=O)C1=C([O-])C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccccc1 ZINC000033711423 559234921 /nfs/dbraw/zinc/23/49/21/559234921.db2.gz WLDFJNPIHXUTMF-CQSZACIVSA-N -1 0 408.457 1.236 50 0 HDAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011795985 559259817 /nfs/dbraw/zinc/25/98/17/559259817.db2.gz RDFCISVJLNEGCI-AWEZNQCLSA-N -1 0 412.493 1.310 50 0 HDAARM COc1ccccc1-n1c(=O)[nH]c([O-])c([C@H]2c3ccccc3CCN2C(C)=O)c1=O ZINC000100750619 559262585 /nfs/dbraw/zinc/26/25/85/559262585.db2.gz PDPBIVIQJNHGJE-LJQANCHMSA-N -1 0 407.426 1.734 50 0 biogenic HDAARM Cc1nn2c([n-]1)nc(C)c(CCC(=O)NC(C)(C)c1noc(C(C)(C)C)n1)c2=O ZINC000100759372 559264632 /nfs/dbraw/zinc/26/46/32/559264632.db2.gz RNTUIQFMYDZXGW-UHFFFAOYSA-N -1 0 401.471 1.699 50 0 HDAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000024153122 559274501 /nfs/dbraw/zinc/27/45/01/559274501.db2.gz QFCBGYJMCODKIE-UHFFFAOYSA-N -1 0 412.489 1.688 50 0 HDAARM COc1cccc(-n2c3nc(-c4cccc(OC)c4[O-])nc(C(N)=O)c3[nH]c2=O)c1 ZINC000005271191 560560913 /nfs/dbraw/zinc/56/09/13/560560913.db2.gz RECFIKAURWTCBI-UHFFFAOYSA-N -1 0 407.386 1.598 50 0 HDAARM NC(=O)COc1ccccc1C1=NO[C@@](CC(=O)[O-])(C(=O)NC2CCCCCC2)C1 ZINC000005487745 560597511 /nfs/dbraw/zinc/59/75/11/560597511.db2.gz GLOUTAXPBUMGHY-NRFANRHFSA-N -1 0 417.462 1.728 50 0 HDAARM COc1cc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccccc4OC)c3=O)=NN2)ccc1O ZINC000101762817 560800743 /nfs/dbraw/zinc/80/07/43/560800743.db2.gz LRWCSHDNXWFPQS-GFCCVEGCSA-N -1 0 424.413 1.393 50 0 HDAARM CCN1CCN(S(=O)(=O)c2nn(Cc3cc(C)ccc3C)cc2C(=O)[O-])CC1 ZINC000049411667 568450182 /nfs/dbraw/zinc/45/01/82/568450182.db2.gz VVWBVMKMOQZDJF-UHFFFAOYSA-N -1 0 406.508 1.573 50 0 HDAARM COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N[C@@H](CCSC)C(=O)[O-])n1 ZINC000049545113 568451312 /nfs/dbraw/zinc/45/13/12/568451312.db2.gz XMBVHHGMZNGXHP-AWEZNQCLSA-N -1 0 409.439 1.381 50 0 HDAARM CCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2)cc1 ZINC000024757119 568461422 /nfs/dbraw/zinc/46/14/22/568461422.db2.gz PNAIKPOKSNVKKJ-UHFFFAOYSA-N -1 0 412.489 1.962 50 0 HDAARM Cc1cnc(C)c(N2CCN(C(=O)CC[C@]3(CCC(=O)[O-])CCC(=O)N3)CC2)n1 ZINC000223743730 568557897 /nfs/dbraw/zinc/55/78/97/568557897.db2.gz ZFTUXNMJAXLPEI-FQEVSTJZSA-N -1 0 403.483 1.036 50 0 HDAARM COc1ccc(Br)c(C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000095464480 568622482 /nfs/dbraw/zinc/62/24/82/568622482.db2.gz XEFYGDXXQLQPTC-LLVKDONJSA-N -1 0 413.268 1.853 50 0 HDAARM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Br)nc1 ZINC000225690369 568664602 /nfs/dbraw/zinc/66/46/02/568664602.db2.gz XKSIVRMDLRPNAY-SECBINFHSA-N -1 0 415.313 1.878 50 0 HDAARM COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c(O)cc(C)n(CC(=O)[O-])c1=O ZINC000096222931 568706130 /nfs/dbraw/zinc/70/61/30/568706130.db2.gz PKOXJTIIRUXODD-LBPRGKRZSA-N -1 0 421.402 1.365 50 0 biogenic HDAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCC(=O)NC[C@H]1CCCO1)c2=O ZINC000012415900 568718083 /nfs/dbraw/zinc/71/80/83/568718083.db2.gz ZDXNKZHJDLICKB-CYBMUJFWSA-N -1 0 405.476 1.921 50 0 HDAARM Cc1nn2c(nc(N3CCCC3)c3ccccc32)c1C=C1C(=O)NC(=S)NC1=O ZINC000003180239 568727034 /nfs/dbraw/zinc/72/70/34/568727034.db2.gz MANQUZOZHLEQPL-UHFFFAOYSA-N -1 0 406.471 1.705 50 0 HDAARM COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3C(=O)[O-])CC2)cc1 ZINC000002457723 568772075 /nfs/dbraw/zinc/77/20/75/568772075.db2.gz NLGPVWQGRXGOCF-UHFFFAOYSA-N -1 0 404.444 1.540 50 0 HDAARM Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@@H]12 ZINC000002783487 568808768 /nfs/dbraw/zinc/80/87/68/568808768.db2.gz URELCQLYZQIKOC-KXBFYZLASA-N -1 0 412.471 1.861 50 0 HDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000012526142 568843042 /nfs/dbraw/zinc/84/30/42/568843042.db2.gz UKMLRGZCICMALX-INIZCTEOSA-N -1 0 409.533 1.923 50 0 HDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000012535916 568845504 /nfs/dbraw/zinc/84/55/04/568845504.db2.gz MCRRGQYYHCYYCV-UHFFFAOYSA-N -1 0 424.456 1.060 50 0 HDAARM Cc1cn2c(nc3c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n3C)n1CC(=O)[O-] ZINC000012558811 568856898 /nfs/dbraw/zinc/85/68/98/568856898.db2.gz CZGVVVONESLTIQ-UHFFFAOYSA-N -1 0 401.810 1.244 50 0 HDAARM Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000004027382 568878341 /nfs/dbraw/zinc/87/83/41/568878341.db2.gz HTLRYYNFDBTEER-RTBURBONSA-N -1 0 416.499 1.960 50 0 biogenic HDAARM CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(CCOC)c3=O)C1 ZINC000004004994 568932986 /nfs/dbraw/zinc/93/29/86/568932986.db2.gz NZSSTDAPMXJKSY-AWEZNQCLSA-N -1 0 419.503 1.747 50 0 HDAARM O=C([O-])[C@H](NC(=O)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)c1ccccc1 ZINC000004090361 568942012 /nfs/dbraw/zinc/94/20/12/568942012.db2.gz XTJNPXYDTGJZSA-PKOBYXMFSA-N -1 0 407.426 1.708 50 0 biogenic HDAARM C[C@@H](O)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000004294964 568976279 /nfs/dbraw/zinc/97/62/79/568976279.db2.gz RRMAVULMYTWJOU-ZBFHGGJFSA-N -1 0 406.479 1.906 50 0 HDAARM CN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000008429413 569002662 /nfs/dbraw/zinc/00/26/62/569002662.db2.gz RUTUSWYIINOUGT-SFHVURJKSA-N -1 0 415.471 1.844 50 0 HDAARM CC(C)C[C@H](NC(=O)NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000012848318 569010287 /nfs/dbraw/zinc/01/02/87/569010287.db2.gz MRURMHLWGDTWOR-HOTGVXAUSA-N -1 0 419.478 1.920 50 0 HDAARM C[C@H](O)[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)C(=O)[O-] ZINC000012912449 569021864 /nfs/dbraw/zinc/02/18/64/569021864.db2.gz AISFTVSOHWTDBU-NHYWBVRUSA-N -1 0 418.899 1.469 50 0 HDAARM CC[C@H](Sc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1)C(=O)[O-] ZINC000001797223 569053278 /nfs/dbraw/zinc/05/32/78/569053278.db2.gz BIIQPBVHWAFXCR-ZDUSSCGKSA-N -1 0 402.476 1.632 50 0 HDAARM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000006623187 569075016 /nfs/dbraw/zinc/07/50/16/569075016.db2.gz WIRNSEDEABGYMW-UHFFFAOYSA-N -1 0 409.489 1.371 50 0 HDAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCC(=O)NCC(=O)[O-])OC(C)(C)CC3 ZINC000006623956 569075380 /nfs/dbraw/zinc/07/53/80/569075380.db2.gz WCVKWQVMFYUQER-UHFFFAOYSA-N -1 0 416.430 1.065 50 0 biogenic HDAARM CC[C@@H](C)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)C(=O)[O-] ZINC000006645533 569079252 /nfs/dbraw/zinc/07/92/52/569079252.db2.gz RROSPHHFDVJEEB-KEYYUXOJSA-N -1 0 412.508 1.711 50 0 HDAARM COC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3cc(OC)ccc3OC)cc2oc1=O ZINC000064818712 569101469 /nfs/dbraw/zinc/10/14/69/569101469.db2.gz KVOYDIHCLRPFEY-UHFFFAOYSA-N -1 0 422.415 1.586 50 0 HDAARM CC1(C)Cc2c(sc3c2c(=O)n(CC(=O)[O-])c(=O)n3CCN2CCCCC2)CO1 ZINC000006754721 569110759 /nfs/dbraw/zinc/11/07/59/569110759.db2.gz VWMCJUCFVBMOCR-UHFFFAOYSA-N -1 0 421.519 1.647 50 0 HDAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)Cn2nnc3ccccc3c2=O)cc1OC ZINC000006759833 569113273 /nfs/dbraw/zinc/11/32/73/569113273.db2.gz URKRWYDBNGQTJU-OAHLLOKOSA-N -1 0 412.402 1.141 50 0 HDAARM O=C([O-])Cn1cc([C@H](C(=O)[O-])[N@@H+]2CCCN(c3ncccn3)CC2)c2ccccc21 ZINC000036366665 569152653 /nfs/dbraw/zinc/15/26/53/569152653.db2.gz MHTLIRWJAQGFLG-LJQANCHMSA-N -1 0 409.446 1.854 50 0 HDAARM CC(C)CN(C(=O)COC(=O)c1ccc(Cl)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000007199929 569228406 /nfs/dbraw/zinc/22/84/06/569228406.db2.gz ZJWAAHLGUVHYIC-ZDUSSCGKSA-N -1 0 403.884 1.874 50 0 HDAARM Cc1cc(N2C(=O)C(C)(C)CS2(=O)=O)ccc1S(=O)(=O)[N-]c1ccccn1 ZINC000013690111 569256995 /nfs/dbraw/zinc/25/69/95/569256995.db2.gz NAWLAVJTYNEJBF-UHFFFAOYSA-N -1 0 409.489 1.893 50 0 HDAARM Cc1oc2c(cc3c(C)c(CC(=O)NCC(=O)NCC(=O)[O-])c(=O)oc3c2C)c1C ZINC000002155234 569290218 /nfs/dbraw/zinc/29/02/18/569290218.db2.gz ZMSBXTWGCXZMJA-UHFFFAOYSA-N -1 0 414.414 1.632 50 0 biogenic HDAARM COc1ccc2c(C)c(CC(=O)N[C@@H](CCSC)C(=O)[O-])c(=O)oc2c1OC ZINC000002159131 569290487 /nfs/dbraw/zinc/29/04/87/569290487.db2.gz HKOAELMAMIPQSG-ZDUSSCGKSA-N -1 0 409.460 1.984 50 0 biogenic HDAARM COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)c1 ZINC000252536247 569292820 /nfs/dbraw/zinc/29/28/20/569292820.db2.gz HZDHPUJCQDNXNI-TVQRCGJNSA-N -1 0 408.270 1.304 50 0 HDAARM Cn1c2nc(SCCC(=O)[O-])n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000195792570 569314613 /nfs/dbraw/zinc/31/46/13/569314613.db2.gz RFEDQRUCOSBJFG-UHFFFAOYSA-N -1 0 408.867 1.702 50 0 HDAARM CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)[O-] ZINC000002394382 569394223 /nfs/dbraw/zinc/39/42/23/569394223.db2.gz ZPUIRJDHSSKASI-INIZCTEOSA-N -1 0 414.549 1.718 50 0 HDAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O ZINC000012888385 569404563 /nfs/dbraw/zinc/40/45/63/569404563.db2.gz FMSWDQKKHNMTCT-MOPGFXCFSA-N -1 0 421.453 1.578 50 0 biogenic HDAARM NC1=C2C(=O)Oc3ccccc3[C@@H]2[C@@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]2S1 ZINC000079479933 569431768 /nfs/dbraw/zinc/43/17/68/569431768.db2.gz IOIIUUKIWGIEHC-YCPHGPKFSA-N -1 0 422.418 1.863 50 0 HDAARM O=S(=O)(c1cccc(F)c1)N1CCN(Cc2c([O-])nnn2-c2ccccc2)CC1 ZINC000040158199 571204638 /nfs/dbraw/zinc/20/46/38/571204638.db2.gz CDJWHLWOBMQATQ-UHFFFAOYSA-N -1 0 417.466 1.619 50 0 HDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)nc2)cc1 ZINC000245180691 571215390 /nfs/dbraw/zinc/21/53/90/571215390.db2.gz ZGWLHTZZKUYQMD-MRXNPFEDSA-N -1 0 419.459 1.717 50 0 HDAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000009059096 571217052 /nfs/dbraw/zinc/21/70/52/571217052.db2.gz QRHYOFQTGSODAK-QGZVFWFLSA-N -1 0 406.398 1.396 50 0 biogenic HDAARM Cc1ccnc2nc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)nn21 ZINC000009244808 571241251 /nfs/dbraw/zinc/24/12/51/571241251.db2.gz BGOZQQLYFLMUQL-UHFFFAOYSA-N -1 0 415.460 1.942 50 0 HDAARM CC(C)n1ncc2cc(NC(=O)c3nc4n(n3)-c3ccccc3S(=O)(=O)[N-]4)cnc21 ZINC000069776955 571244398 /nfs/dbraw/zinc/24/43/98/571244398.db2.gz OKIXUYPNBJIXMT-UHFFFAOYSA-N -1 0 424.446 1.959 50 0 HDAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1 ZINC000009675169 571278887 /nfs/dbraw/zinc/27/88/87/571278887.db2.gz PDXLTVBMVKESBV-IRXDYDNUSA-N -1 0 415.356 1.905 50 0 HDAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cc(=O)n5ccccc5n4)c=3c2=O)cc1 ZINC000009837396 571287853 /nfs/dbraw/zinc/28/78/53/571287853.db2.gz DSOGYGLHIBWSEE-MOPGFXCFSA-N -1 0 418.413 1.587 50 0 HDAARM CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[O-] ZINC000009863987 571288848 /nfs/dbraw/zinc/28/88/48/571288848.db2.gz SFBSVTRAQGWHDK-OAHLLOKOSA-N -1 0 400.522 1.797 50 0 HDAARM COc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](CCSC)C(=O)[O-])n2)c(F)c1 ZINC000071334777 571292806 /nfs/dbraw/zinc/29/28/06/571292806.db2.gz KIUWPJBGYXCILF-OAHLLOKOSA-N -1 0 409.439 1.381 50 0 HDAARM CC(=O)N1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)/C=C/C(=O)[O-])ccc32)CC1 ZINC000032102211 519590991 /nfs/dbraw/zinc/59/09/91/519590991.db2.gz SPGWZQKCCYDPBW-PXPVJAHISA-N -1 0 414.418 1.037 50 0 HDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000007777994 519679328 /nfs/dbraw/zinc/67/93/28/519679328.db2.gz MOOLFFDLKMSVNL-HNNXBMFYSA-N -1 0 411.480 1.849 50 0 HDAARM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000042625385 526347847 /nfs/dbraw/zinc/34/78/47/526347847.db2.gz FDUWDVXWPINPAW-UHFFFAOYSA-N -1 0 414.436 1.765 50 0 HDAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc2)C1 ZINC000032080847 527658110 /nfs/dbraw/zinc/65/81/10/527658110.db2.gz RCPYHRDFJCZIRM-GFCCVEGCSA-N -1 0 418.427 1.696 50 0 HDAARM O=C([O-])c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000000707352 557064640 /nfs/dbraw/zinc/06/46/40/557064640.db2.gz GBVVOEOBNKJSNG-UHFFFAOYSA-N -1 0 408.407 1.797 50 0 HDAARM COc1ccc(N2C(=O)C[C@H](N(Cc3ccco3)C(=O)CCC(=O)[O-])C2=O)cc1 ZINC000000715176 557067546 /nfs/dbraw/zinc/06/75/46/557067546.db2.gz IQIZAESOTIIRJD-INIZCTEOSA-N -1 0 400.387 1.814 50 0 HDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)COc2ccccc2C)cc1 ZINC000002145502 557319053 /nfs/dbraw/zinc/31/90/53/557319053.db2.gz ABIWDBNJFNJRNA-UHFFFAOYSA-N -1 0 421.500 1.712 50 0 HDAARM COc1cc2[n-]c(=S)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2cc1OC ZINC000002330918 557337718 /nfs/dbraw/zinc/33/77/18/557337718.db2.gz LDICHMWNCGARIC-UHFFFAOYSA-N -1 0 421.500 1.966 50 0 HDAARM O=C([O-])CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003436141 557486250 /nfs/dbraw/zinc/48/62/50/557486250.db2.gz WUYSAHQQHNINMJ-UHFFFAOYSA-N -1 0 404.510 1.394 50 0 HDAARM COc1cc(OC)nc([N-]S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)n1 ZINC000004247096 557531752 /nfs/dbraw/zinc/53/17/52/557531752.db2.gz RIGYIRCLUYRRSC-UHFFFAOYSA-N -1 0 406.342 1.795 50 0 HDAARM Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000004492453 557559460 /nfs/dbraw/zinc/55/94/60/557559460.db2.gz MADRASOTIWMGDQ-UHFFFAOYSA-N -1 0 404.444 1.966 50 0 HDAARM CCOC(=O)CSc1nc(N)c(NC(=O)c2ccc(OC)c(OC)c2)c(=O)[n-]1 ZINC000002712650 557742352 /nfs/dbraw/zinc/74/23/52/557742352.db2.gz MJUQFBFNXIISBW-UHFFFAOYSA-N -1 0 408.436 1.277 50 0 HDAARM O=C([O-])c1ccccc1C(=O)N(CCS(=O)(=O)N1CCCC1)Cc1ccccn1 ZINC000009060997 557821204 /nfs/dbraw/zinc/82/12/04/557821204.db2.gz HZFBEHRTMIICSE-UHFFFAOYSA-N -1 0 417.487 1.848 50 0 HDAARM O=C([O-])COc1c(Br)cc(/C=C2/NC(=O)NC2=O)cc1Br ZINC000009260595 557833148 /nfs/dbraw/zinc/83/31/48/557833148.db2.gz HMQZUFGLRLYZCF-FPYGCLRLSA-N -1 0 420.013 1.855 50 0 HDAARM Cc1nnc(SCc2cc(=O)c3c([n-]n(-c4nc(C)cc(C)n4)c3=O)[nH]2)s1 ZINC000009698475 557848754 /nfs/dbraw/zinc/84/87/54/557848754.db2.gz JVMLJRCTRWKTJL-UHFFFAOYSA-N -1 0 401.477 1.866 50 0 HDAARM CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000011767030 558273836 /nfs/dbraw/zinc/27/38/36/558273836.db2.gz QSLHZEAZEOOXRS-HNNXBMFYSA-N -1 0 418.512 1.549 50 0 HDAARM CCC(NCCCN1CCOCC1)=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000020292348 558354187 /nfs/dbraw/zinc/35/41/87/558354187.db2.gz WUDOWPQFOFUEMN-ISLYRVAYSA-N -1 0 416.478 1.254 50 0 HDAARM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c2c1 ZINC000020715124 558400867 /nfs/dbraw/zinc/40/08/67/558400867.db2.gz CVOQQXZBZJLKIW-ACJLOTCBSA-N -1 0 407.492 1.107 50 0 HDAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1 ZINC000024153203 558590875 /nfs/dbraw/zinc/59/08/75/558590875.db2.gz INLOIYPMRIMGLG-UHFFFAOYSA-N -1 0 423.491 1.721 50 0 HDAARM C[C@H](O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000025691569 558648071 /nfs/dbraw/zinc/64/80/71/558648071.db2.gz GIYVFJXSCLFRIL-DOPJRALCSA-N -1 0 416.430 1.180 50 0 HDAARM O=C(CSc1nc2c(-c3ccc(F)cc3)c[n-]n2c(=O)n1)NCC(F)(F)F ZINC000015107346 558723240 /nfs/dbraw/zinc/72/32/40/558723240.db2.gz JFMORUAQKLYKJQ-UHFFFAOYSA-N -1 0 401.345 1.994 50 0 HDAARM COc1nc(C)nc(NC(=O)[N-]S(=O)(=O)Nc2nc(Cl)ccc2Cl)n1 ZINC000022016655 558778887 /nfs/dbraw/zinc/77/88/87/558778887.db2.gz PWTJLTXVSUSDKS-UHFFFAOYSA-N -1 0 408.227 1.369 50 0 HDAARM COc1ccc(CN(C(=O)C=CC(=O)[O-])[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000018045186 558830080 /nfs/dbraw/zinc/83/00/80/558830080.db2.gz RLEJWWMLEJMKFX-DXRVJIQQSA-N -1 0 408.410 1.997 50 0 HDAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)OCC(=O)NC2CC2)c1 ZINC000010637217 558833238 /nfs/dbraw/zinc/83/32/38/558833238.db2.gz NYUSVUOHXLWXOB-UHFFFAOYSA-N -1 0 404.444 1.931 50 0 HDAARM COCCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCN1CCCC1=O)c2=O ZINC000004599039 558835018 /nfs/dbraw/zinc/83/50/18/558835018.db2.gz ZRPLAKJBHPBORS-UHFFFAOYSA-N -1 0 418.519 1.838 50 0 HDAARM CN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(C(=O)[O-])cc3)C[C@H]2CCC(=O)[O-])CC1 ZINC000091849332 559074148 /nfs/dbraw/zinc/07/41/48/559074148.db2.gz OAPPEFBGRCYKCB-MSOLQXFVSA-N -1 0 403.479 1.328 50 0 HDAARM CCOC(=O)Cc1cc(=O)n2[n-]c(COC)c(-c3ccc(OC)c(OC)c3)c2n1 ZINC000100237504 559133089 /nfs/dbraw/zinc/13/30/89/559133089.db2.gz DHHHNFJXEXPKTK-UHFFFAOYSA-N -1 0 401.419 1.959 50 0 HDAARM COC(=O)C[C@H](c1cc2ccccc2n(C)c1=O)c1c(=O)nc2ccccn2c1[O-] ZINC000205948904 559177928 /nfs/dbraw/zinc/17/79/28/559177928.db2.gz OOWVQCYMTBEEOM-CQSZACIVSA-N -1 0 405.410 1.947 50 0 HDAARM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c2ccccc2n1 ZINC000004885189 559196872 /nfs/dbraw/zinc/19/68/72/559196872.db2.gz YESRXHGXPAENHY-UHFFFAOYSA-N -1 0 410.455 1.895 50 0 HDAARM C[C@@H](Sc1nc(N)c(NC(=O)c2ccc(Br)o2)c(=O)[nH]1)C(=O)[O-] ZINC000005082431 559242844 /nfs/dbraw/zinc/24/28/44/559242844.db2.gz CNVVPDMPSZLZSK-SCSAIBSYSA-N -1 0 403.214 1.525 50 0 HDAARM COc1cc2c(cc1OC)[C@@H](c1c([O-])[nH]c(=O)n(-c3ccc(F)cc3)c1=O)NCC2 ZINC000100749652 559262330 /nfs/dbraw/zinc/26/23/30/559262330.db2.gz VGWLYYHTTYRPGW-SFHVURJKSA-N -1 0 413.405 1.623 50 0 biogenic HDAARM CC[C@H](C)[C@@H](NC(=O)CNC(=O)Cc1c(C)c2ccc(OC)cc2oc1=O)C(=O)[O-] ZINC000011865661 559263913 /nfs/dbraw/zinc/26/39/13/559263913.db2.gz USNOHDPPTLVNAI-JEOXALJRSA-N -1 0 418.446 1.384 50 0 HDAARM Cc1noc(C)c1CN1CCc2c(C(=O)NCCc3n[nH]c(=O)[n-]3)csc2C1 ZINC000426433630 559271417 /nfs/dbraw/zinc/27/14/17/559271417.db2.gz JZIRTIVVAKEUFM-UHFFFAOYSA-N -1 0 402.480 1.707 50 0 HDAARM CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000005302155 560562771 /nfs/dbraw/zinc/56/27/71/560562771.db2.gz QXCYWRYXCCFTGD-XCRHUMRWSA-N -1 0 419.453 1.395 50 0 HDAARM O=C([O-])[C@@H](NC(=O)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)c1ccccc1 ZINC000005450878 560590097 /nfs/dbraw/zinc/59/00/97/560590097.db2.gz XTJNPXYDTGJZSA-HKUYNNGSSA-N -1 0 407.426 1.708 50 0 HDAARM COC(=O)c1[n-]n(-c2ccccc2OC)c2c(O)n(-c3ccccc3OC)c(=O)c1-2 ZINC000100909589 560762477 /nfs/dbraw/zinc/76/24/77/560762477.db2.gz HIZKONXBHJCARZ-FUHWJXTLSA-N -1 0 409.398 1.611 50 0 HDAARM COc1ccc(C(=O)Nc2c(N)nc(SC(C(C)=O)=C(C)O)[n-]c2=O)cc1OC ZINC000018099623 560775647 /nfs/dbraw/zinc/77/56/47/560775647.db2.gz FJBYTCDNCJSPRQ-UHFFFAOYSA-N -1 0 420.447 1.260 50 0 HDAARM NC1=C2C(=O)Oc3ccccc3[C@@H]2[C@H]2C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@H]2S1 ZINC000101374440 560793555 /nfs/dbraw/zinc/79/35/55/560793555.db2.gz HGYXCKGDHCODDJ-FMKPAKJESA-N -1 0 422.418 1.863 50 0 HDAARM CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@H]1c1cccnc1 ZINC000101455658 560795197 /nfs/dbraw/zinc/79/51/97/560795197.db2.gz SGCFBDUEQNMCHC-KRWDZBQOSA-N -1 0 405.414 1.383 50 0 HDAARM COCCCn1c(=O)c2ccc(C(=O)N[C@H](C(N)=O)C(C)(C)C)cc2[n-]c1=S ZINC000101585486 560797272 /nfs/dbraw/zinc/79/72/72/560797272.db2.gz BXXIUHYBQPOVOF-CQSZACIVSA-N -1 0 406.508 1.352 50 0 HDAARM COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=NN2)cc1O ZINC000101762150 560800446 /nfs/dbraw/zinc/80/04/46/560800446.db2.gz YAARBYXPDVHUOC-ZDUSSCGKSA-N -1 0 400.435 1.900 50 0 HDAARM COc1ccccc1[C@@H]1CC(c2c([O-])[nH]c(=O)n(CCc3ccccc3)c2=O)=NN1 ZINC000101762553 560800646 /nfs/dbraw/zinc/80/06/46/560800646.db2.gz ZYDXSRCIUPDQKQ-INIZCTEOSA-N -1 0 406.442 1.932 50 0 HDAARM O=C(Nc1nnc(SCc2cc(=O)n3nc[n-]c3n2)s1)c1ccc(F)cc1 ZINC000102621486 560818252 /nfs/dbraw/zinc/81/82/52/560818252.db2.gz OSQNSCSKDHEJII-UHFFFAOYSA-N -1 0 403.424 1.953 50 0 HDAARM NC1=C2C(=O)Oc3ccccc3[C@@H]2[C@@H]2C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]2S1 ZINC000107166293 560895639 /nfs/dbraw/zinc/89/56/39/560895639.db2.gz HGYXCKGDHCODDJ-IJEWVQPXSA-N -1 0 422.418 1.863 50 0 HDAARM O=C([O-])CC[C@]1(CCC(=O)N2CCCN(Cc3cccnc3)CC2)CCC(=O)N1 ZINC000222968689 568532632 /nfs/dbraw/zinc/53/26/32/568532632.db2.gz BLWBXHYHQWHXDM-OAQYLSRUSA-N -1 0 402.495 1.410 50 0 HDAARM COc1ccc(OC)c(C[N-]S(=O)(=O)c2c(C)nc3sc(C)cn3c2=O)c1 ZINC000020921885 568651097 /nfs/dbraw/zinc/65/10/97/568651097.db2.gz QPVQKAPPOYNOKS-UHFFFAOYSA-N -1 0 409.489 1.869 50 0 HDAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1 ZINC000020988815 568655632 /nfs/dbraw/zinc/65/56/32/568655632.db2.gz QLQCAZIDDIRAEY-UHFFFAOYSA-N -1 0 405.432 1.055 50 0 HDAARM Cc1nn(C)c(C)c1C[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Br)nc1 ZINC000225690390 568664664 /nfs/dbraw/zinc/66/46/64/568664664.db2.gz XKSIVRMDLRPNAY-VIFPVBQESA-N -1 0 415.313 1.878 50 0 HDAARM COc1ccccc1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCOCC1 ZINC000021154373 568673327 /nfs/dbraw/zinc/67/33/27/568673327.db2.gz FAFATNYDXVXGKE-UHFFFAOYSA-N -1 0 407.492 1.924 50 0 HDAARM COC(=O)c1sc2[nH]c(CC(=O)Nc3ccc(C(=O)[O-])cc3)nc(=O)c2c1C ZINC000055504188 568778088 /nfs/dbraw/zinc/77/80/88/568778088.db2.gz WWAGVFUCVMJFMK-UHFFFAOYSA-N -1 0 401.400 1.959 50 0 HDAARM CCOCCOc1ccc(-c2nnc(CCC(=O)N3CCOCC3)c(=O)[n-]2)cc1 ZINC000034763457 568825618 /nfs/dbraw/zinc/82/56/18/568825618.db2.gz GPSAUZNACGIOKR-UHFFFAOYSA-N -1 0 402.451 1.451 50 0 HDAARM CCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)cc1 ZINC000012525913 568842806 /nfs/dbraw/zinc/84/28/06/568842806.db2.gz NDHNLDFIWFJOQC-UHFFFAOYSA-N -1 0 412.489 1.962 50 0 HDAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc(S(=O)(=O)N3CCOCC3)c1)C2=O ZINC000012600567 568869902 /nfs/dbraw/zinc/86/99/02/568869902.db2.gz FFLDTQPHFOYRIM-UHFFFAOYSA-N -1 0 416.411 1.206 50 0 HDAARM COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(=O)[nH]c(=O)n(Cc2ccccc2)c1[O-] ZINC000004027380 568878364 /nfs/dbraw/zinc/87/83/64/568878364.db2.gz LUYBGRYMOONBTC-MRXNPFEDSA-N -1 0 410.382 1.568 50 0 biogenic HDAARM Cc1ccc(C(=O)N2CCC(NS(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)CC2)cc1 ZINC000670456214 568936414 /nfs/dbraw/zinc/93/64/14/568936414.db2.gz UONVARYIJHBPDD-INIZCTEOSA-N -1 0 409.508 1.231 50 0 HDAARM C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)[O-] ZINC000004084331 568939766 /nfs/dbraw/zinc/93/97/66/568939766.db2.gz PPXBNKSAYXGKND-VSFMBMCQSA-N -1 0 405.476 1.129 50 0 biogenic HDAARM COc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccnc2)ccc1O ZINC000004269952 568956549 /nfs/dbraw/zinc/95/65/49/568956549.db2.gz KYUZLWFKQNZOHE-ZQIUZPCESA-N -1 0 411.336 1.900 50 0 HDAARM Cc1nn(-c2ccc(F)cc2)c(C)c1CNS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000670463436 568959651 /nfs/dbraw/zinc/95/96/51/568959651.db2.gz PCBCWVPVGYFSMU-AWEZNQCLSA-N -1 0 410.471 1.759 50 0 HDAARM CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)C(=O)[O-] ZINC000008273401 568986543 /nfs/dbraw/zinc/98/65/43/568986543.db2.gz ONMLGASLQDAQCO-LBPRGKRZSA-N -1 0 406.551 1.471 50 0 HDAARM COCCCNC(=O)CN1CCN(c2ccc(NC(=O)C3CC3)c(C(=O)[O-])c2)CC1 ZINC000064590149 569069177 /nfs/dbraw/zinc/06/91/77/569069177.db2.gz DZVFAUFPRLMGJI-UHFFFAOYSA-N -1 0 418.494 1.008 50 0 HDAARM CC[C@@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000006660040 569084179 /nfs/dbraw/zinc/08/41/79/569084179.db2.gz WBVBIWNYJCUTPY-XREXNNHRSA-N -1 0 407.442 1.299 50 0 HDAARM COC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3OC)cc2oc1=O ZINC000064818653 569101431 /nfs/dbraw/zinc/10/14/31/569101431.db2.gz UTBIZNYDWJKIRF-UHFFFAOYSA-N -1 0 422.415 1.586 50 0 HDAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c1 ZINC000006729483 569102796 /nfs/dbraw/zinc/10/27/96/569102796.db2.gz JKNIHPRLLIAWKU-UHFFFAOYSA-N -1 0 405.432 1.055 50 0 HDAARM Cc1cn(C)c(CC(=O)NCCN2CCN(c3ccccc3F)CC2)c1C(=O)[O-] ZINC000064980573 569140846 /nfs/dbraw/zinc/14/08/46/569140846.db2.gz PTYHNDYVKXSHAD-UHFFFAOYSA-N -1 0 402.470 1.652 50 0 HDAARM COc1ccc(OC)c(C[N-]S(=O)(=O)c2c(C)nc3scc(C)n3c2=O)c1 ZINC000006823658 569141356 /nfs/dbraw/zinc/14/13/56/569141356.db2.gz WLCBCCDEXAPJMG-UHFFFAOYSA-N -1 0 409.489 1.869 50 0 HDAARM O=CN1CC[NH+]([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(Br)ccc23)CC1 ZINC000036358004 569149397 /nfs/dbraw/zinc/14/93/97/569149397.db2.gz QOXMKQWZBUVYQR-MRXNPFEDSA-N -1 0 424.251 1.388 50 0 HDAARM COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c([O-])[nH]c(=O)n(-c2cccc(C)c2)c1=O ZINC000002101936 569281639 /nfs/dbraw/zinc/28/16/39/569281639.db2.gz NILAAIMZUGEUBG-INIZCTEOSA-N -1 0 410.382 1.817 50 0 biogenic HDAARM CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)[O-] ZINC000002112807 569284239 /nfs/dbraw/zinc/28/42/39/569284239.db2.gz ZRMDZCUXNBFTJA-WLRWDXFRSA-N -1 0 418.446 1.520 50 0 biogenic HDAARM Cc1cc(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c2c(C)c(C)c(=O)oc2c1 ZINC000002115540 569284636 /nfs/dbraw/zinc/28/46/36/569284636.db2.gz ZAZDLDVEMXGJLX-IBGZPJMESA-N -1 0 418.446 1.439 50 0 biogenic HDAARM COc1ccccc1C1(C(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@@H]3C(=O)[O-])CCC1 ZINC000005304227 569356921 /nfs/dbraw/zinc/35/69/21/569356921.db2.gz DQPBSWULMWYIDY-YCPHGPKFSA-N -1 0 404.488 1.749 50 0 biogenic HDAARM CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(N3CCC[C@H](C(N)=O)C3)nc2)c1 ZINC000079001535 569423428 /nfs/dbraw/zinc/42/34/28/569423428.db2.gz RABQMXPJPCGFQB-AWEZNQCLSA-N -1 0 406.512 1.437 50 0 HDAARM Cn1c2ccccc2c(=O)n([C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)[O-])c1=O ZINC000008790676 571119807 /nfs/dbraw/zinc/11/98/07/571119807.db2.gz QGQPUUABQAENOA-OALUTQOASA-N -1 0 421.453 1.560 50 0 biogenic HDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)nc2)cc1 ZINC000245180690 571215402 /nfs/dbraw/zinc/21/54/02/571215402.db2.gz ZGWLHTZZKUYQMD-INIZCTEOSA-N -1 0 419.459 1.717 50 0 HDAARM COC(=O)c1sc(S(=O)(=O)[N-]c2c(C)nn(C)c2C)c(C(=O)OC)c1C ZINC000009441989 571259232 /nfs/dbraw/zinc/25/92/32/571259232.db2.gz YDRWOMLIAYFARL-UHFFFAOYSA-N -1 0 401.466 1.781 50 0 HDAARM O=C([O-])[C@@H](CCC(=O)N1CCN(c2ccccn2)CC1)N1C(=O)c2ccccc2C1=O ZINC000009328645 132232664 /nfs/dbraw/zinc/23/26/64/132232664.db2.gz FTHOULKZIBZNEE-QGZVFWFLSA-N -1 0 422.441 1.260 50 0 HDAARM C[C@@H]1CS(=O)(=O)N(c2cccc(C(=O)Nc3ccc(C(=O)[O-])c(O)c3)c2)C1=O ZINC000041182003 525165064 /nfs/dbraw/zinc/16/50/64/525165064.db2.gz WBACYPBLOFPMIX-SNVBAGLBSA-N -1 0 404.400 1.655 50 0 HDAARM Cc1c([N-]S(=O)(=O)c2ccc(Br)s2)c(-n2cnnc2)nn1C ZINC000032958454 525872778 /nfs/dbraw/zinc/87/27/78/525872778.db2.gz BSFKZRLTJUAGEI-UHFFFAOYSA-N -1 0 403.287 1.934 50 0 HDAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1 ZINC000000811791 557087763 /nfs/dbraw/zinc/08/77/63/557087763.db2.gz FCPPNTNWVOSLCX-UHFFFAOYSA-N -1 0 404.444 1.731 50 0 HDAARM CN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])cc2)CC1 ZINC000004801822 557598740 /nfs/dbraw/zinc/59/87/40/557598740.db2.gz OZFLFESHOSDAAE-SJORKVTESA-N -1 0 407.492 1.228 50 0 HDAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NN2CCN(C)CC2)cc1 ZINC000004844863 557605423 /nfs/dbraw/zinc/60/54/23/557605423.db2.gz YXMQMSHELWJDLA-UHFFFAOYSA-N -1 0 418.519 1.778 50 0 HDAARM CCOC(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2nnc(CC)s2)cc1 ZINC000006088679 557686832 /nfs/dbraw/zinc/68/68/32/557686832.db2.gz OCUIQOSCTQLRMG-MDZDMXLPSA-N -1 0 410.477 1.959 50 0 HDAARM CN(C)C(=O)CN1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(Br)cc32)CC1 ZINC000020720886 558402669 /nfs/dbraw/zinc/40/26/69/558402669.db2.gz WJWSMGKXXCLFBP-QGZVFWFLSA-N -1 0 423.311 1.762 50 0 HDAARM O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000020723994 558404086 /nfs/dbraw/zinc/40/40/86/558404086.db2.gz ZBGDBCYWHSZDLF-GUYCJALGSA-N -1 0 411.911 1.752 50 0 HDAARM C[C@@H]1C[C@@H](C)CN(C(=O)CNC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1 ZINC000013237445 558527630 /nfs/dbraw/zinc/52/76/30/558527630.db2.gz NEAUVMOLOPUPEH-LBTNJELSSA-N -1 0 400.479 1.967 50 0 HDAARM COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)nc2)c1 ZINC000022990051 558529226 /nfs/dbraw/zinc/52/92/26/558529226.db2.gz QSTIWLWUKYWIQC-UHFFFAOYSA-N -1 0 416.415 1.641 50 0 HDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3cc(C)cc(C)c3)[C@H]2SC1 ZINC000004556385 558725902 /nfs/dbraw/zinc/72/59/02/558725902.db2.gz APLWRCOGQLUCNR-KBXCAEBGSA-N -1 0 404.444 1.219 50 0 HDAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)NC[C@H]2CCCO2)CC4)cc1 ZINC000097096669 558992181 /nfs/dbraw/zinc/99/21/81/558992181.db2.gz SZDWHWDWUZHIED-MRXNPFEDSA-N -1 0 423.473 1.945 50 0 HDAARM Cc1nnc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@@H]2CCCO2)CC3)s1 ZINC000077407459 559004248 /nfs/dbraw/zinc/00/42/48/559004248.db2.gz AAPHARDUIHHNPY-HNNXBMFYSA-N -1 0 408.505 1.711 50 0 HDAARM Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCCCCC1 ZINC000033330776 559061859 /nfs/dbraw/zinc/06/18/59/559061859.db2.gz RYHUHTZCMFLWIZ-UHFFFAOYSA-N -1 0 406.464 1.189 50 0 HDAARM CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)[O-] ZINC000005266819 560554173 /nfs/dbraw/zinc/55/41/73/560554173.db2.gz YECSJTKRWBZJBH-XEZPLFJOSA-N -1 0 407.442 1.299 50 0 HDAARM CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000005302147 560562756 /nfs/dbraw/zinc/56/27/56/560562756.db2.gz QXCYWRYXCCFTGD-QBIMZIAESA-N -1 0 419.453 1.395 50 0 HDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4C)c=3c2=O)cc1OC ZINC000101169747 560787823 /nfs/dbraw/zinc/78/78/23/560787823.db2.gz PTQMBLRHERCXLE-RBUKOAKNSA-N -1 0 423.429 1.944 50 0 HDAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccc5c(c4)OCO5)no3)c=2c(=O)n1-c1ccccc1 ZINC000101893898 560804662 /nfs/dbraw/zinc/80/46/62/560804662.db2.gz FUMCEZKUCZHDBV-IAGOWNOFSA-N -1 0 418.369 1.959 50 0 HDAARM O=C([N-]C1=N[C@@H]2CCCCC[C@@H]2S1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000107397930 560896381 /nfs/dbraw/zinc/89/63/81/560896381.db2.gz JXXWWXXEPBPEGN-SCRDCRAPSA-N -1 0 412.537 1.072 50 0 HDAARM Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1S(=O)(=O)N1CCOCC1 ZINC000000797233 568482662 /nfs/dbraw/zinc/48/26/62/568482662.db2.gz XOFOVSJRRQGMAW-UHFFFAOYSA-N -1 0 404.444 1.966 50 0 HDAARM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@](C)(COc1ccccc1)C(=O)[O-] ZINC000095424634 568607789 /nfs/dbraw/zinc/60/77/89/568607789.db2.gz VUXIVPKESNOPTG-RNODOKPDSA-N -1 0 415.402 1.752 50 0 HDAARM Cc1ccc(OCC(=O)Nc2nnc(S(=O)(=O)[N-]C[C@H]3CCCO3)s2)cc1 ZINC000020486126 568613122 /nfs/dbraw/zinc/61/31/22/568613122.db2.gz APUABARVFGTEIY-CYBMUJFWSA-N -1 0 412.493 1.321 50 0 HDAARM COc1ccc(F)c(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1C(=O)[O-] ZINC000095451675 568614732 /nfs/dbraw/zinc/61/47/32/568614732.db2.gz UOVFOOPEXTZPDZ-UHFFFAOYSA-N -1 0 411.411 1.897 50 0 HDAARM COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000095970291 568671363 /nfs/dbraw/zinc/67/13/63/568671363.db2.gz UYMKLMWSNBNTDL-RDTXWAMCSA-N -1 0 420.487 1.803 50 0 HDAARM COc1nccnc1[N-]S(=O)(=O)c1ccc(N2C(=O)[C@@H](C(C)C)NC2=S)cc1 ZINC000012401254 568704145 /nfs/dbraw/zinc/70/41/45/568704145.db2.gz FWDXYNXZOYAVMB-CYBMUJFWSA-N -1 0 421.504 1.532 50 0 HDAARM CCc1nc2sc([C@H](c3cccc(F)c3)N3CCN(CCO)CC3)c([O-])n2n1 ZINC000022578240 568770427 /nfs/dbraw/zinc/77/04/27/568770427.db2.gz FSCZAABEZOWYFR-INIZCTEOSA-N -1 0 405.499 1.897 50 0 HDAARM CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3c(Cl)c(C(F)(F)F)nn3C)[C@@H]2SC1 ZINC000002783380 568808727 /nfs/dbraw/zinc/80/87/27/568808727.db2.gz KKBZABSAAUWNQE-QTTZVWFDSA-N -1 0 424.788 1.464 50 0 HDAARM COc1ccc(-c2cn(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(=O)cn2)cc1 ZINC000504285571 568873119 /nfs/dbraw/zinc/87/31/19/568873119.db2.gz FRKYRNVRGWJJSD-SFHVURJKSA-N -1 0 407.426 1.731 50 0 HDAARM COC(=O)C1CCN(C(=O)c2csc([N-]S(=O)(=O)c3ccccc3)n2)CC1 ZINC000012627950 568881586 /nfs/dbraw/zinc/88/15/86/568881586.db2.gz PUHLQWMDTSSJPK-UHFFFAOYSA-N -1 0 409.489 1.969 50 0 HDAARM Cc1ccc(S(=O)(=O)NCCCNC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC000670439313 568883257 /nfs/dbraw/zinc/88/32/57/568883257.db2.gz YATRAQFSSBJTBS-UHFFFAOYSA-N -1 0 414.487 1.572 50 0 HDAARM CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc(C(=O)NCCC(=O)[O-])cc3)ccc21 ZINC000012648355 568885928 /nfs/dbraw/zinc/88/59/28/568885928.db2.gz ZWPGAZWMXXTACS-UHFFFAOYSA-N -1 0 417.443 1.211 50 0 HDAARM CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCC(=O)[O-])CC1 ZINC000004064692 568937597 /nfs/dbraw/zinc/93/75/97/568937597.db2.gz KQTIAVNZVXKFNK-ZDUSSCGKSA-N -1 0 417.528 1.072 50 0 biogenic HDAARM COC(=O)c1[n-]n(-c2ccccc2OC)c2c(O)n(-c3ccccc3OC)c(=O)c1-2 ZINC000004281912 568959103 /nfs/dbraw/zinc/95/91/03/568959103.db2.gz HIZKONXBHJCARZ-AEFFLSMTSA-N -1 0 409.398 1.611 50 0 HDAARM CC(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)[O-] ZINC000008429591 569002805 /nfs/dbraw/zinc/00/28/05/569002805.db2.gz HWWFYMBKAKVSNN-CPUCHLNUSA-N -1 0 412.508 1.714 50 0 HDAARM CC(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)[O-] ZINC000008429589 569002813 /nfs/dbraw/zinc/00/28/13/569002813.db2.gz HWWFYMBKAKVSNN-VBQJREDUSA-N -1 0 412.508 1.714 50 0 HDAARM CC[C@@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c(C)cc(=O)oc2c1)C(=O)[O-] ZINC000015956231 569024534 /nfs/dbraw/zinc/02/45/34/569024534.db2.gz SHHYSQQPBGNSEI-WYRIXSBYSA-N -1 0 404.419 1.212 50 0 HDAARM COc1ccc(OC)c([C@@H]2[NH2+][C@H](C(=O)[O-])[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)c1 ZINC000245246825 569055350 /nfs/dbraw/zinc/05/53/50/569055350.db2.gz PDDAKTMCYSHELE-OWSLCNJRSA-N -1 0 414.389 1.746 50 0 HDAARM CC(C)[C@H](NC(=O)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1)C(=O)[O-] ZINC000006658562 569083387 /nfs/dbraw/zinc/08/33/87/569083387.db2.gz SRMMTLDACGSFSW-KVULBXGLSA-N -1 0 401.463 1.722 50 0 HDAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)OC ZINC000064818759 569101503 /nfs/dbraw/zinc/10/15/03/569101503.db2.gz MIAJCZNHCFSGHK-UHFFFAOYSA-N -1 0 406.416 1.967 50 0 HDAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)Cn2cnc3ccccc3c2=O)cc1OC ZINC000006760548 569113500 /nfs/dbraw/zinc/11/35/00/569113500.db2.gz FPJGDKKHSAVZOC-MRXNPFEDSA-N -1 0 411.414 1.746 50 0 HDAARM COc1ccc(CC[N-]S(=O)(=O)c2c(C)nc3sc(C)cn3c2=O)cc1OC ZINC000008589459 569175943 /nfs/dbraw/zinc/17/59/43/569175943.db2.gz JDCWBLWXRGHBQK-UHFFFAOYSA-N -1 0 423.516 1.911 50 0 HDAARM Cc1c(C)c(=O)oc2cc(O[C@H](C)C(=O)N[C@H](CCCNC(N)=O)C(=O)[O-])ccc12 ZINC000002096861 569281031 /nfs/dbraw/zinc/28/10/31/569281031.db2.gz ZEJIQJJUECOJAY-IUODEOHRSA-N -1 0 419.434 1.195 50 0 biogenic HDAARM Cc1oc2cc3oc(=O)c(CCC(=O)NCC(=O)NCC(=O)[O-])c(C)c3cc2c1C ZINC000002099324 569281134 /nfs/dbraw/zinc/28/11/34/569281134.db2.gz AORYSVFANIJJKS-UHFFFAOYSA-N -1 0 414.414 1.714 50 0 biogenic HDAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)O[C@H](C)C(N)=O)cc1OC ZINC000007742011 569306049 /nfs/dbraw/zinc/30/60/49/569306049.db2.gz OTZUUWWACPHXQW-LLVKDONJSA-N -1 0 408.432 1.535 50 0 HDAARM Cc1ccc([C@@H]2NC(=S)N[C@@H](c3ccc(C)cc3)C23C(=O)[N-]C(=O)NC3=O)cc1 ZINC000008578692 571082353 /nfs/dbraw/zinc/08/23/53/571082353.db2.gz VHJLSOSHFINRRX-HOTGVXAUSA-N -1 0 408.483 1.916 50 0 HDAARM C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCn2c3ccccc3nc21)C(=O)[O-] ZINC000008994970 571208463 /nfs/dbraw/zinc/20/84/63/571208463.db2.gz HHJYQDGYJQLCAX-YOEHRIQHSA-N -1 0 421.457 1.767 50 0 HDAARM C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000009360611 571251560 /nfs/dbraw/zinc/25/15/60/571251560.db2.gz GYOJIGOZFOQNOB-SGTLLEGYSA-N -1 0 420.425 1.544 50 0 biogenic HDAARM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(NC(C)=O)ccc2OC)cc1 ZINC000009509628 571264042 /nfs/dbraw/zinc/26/40/42/571264042.db2.gz AXBAUIHBIKFHDA-UHFFFAOYSA-N -1 0 413.477 1.363 50 0 HDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccccc4)c=3c2=O)cc1OC ZINC000009675682 571278949 /nfs/dbraw/zinc/27/89/49/571278949.db2.gz SHCQFVPVJYUYBJ-RTBURBONSA-N -1 0 423.429 1.313 50 0 HDAARM CC(C)[C@@H](NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O)C(=O)[O-] ZINC000071334346 571292828 /nfs/dbraw/zinc/29/28/28/571292828.db2.gz MMNRNYVMKDMDKQ-MRXNPFEDSA-N -1 0 408.252 1.898 50 0 HDAARM O=C([O-])CN1C(=O)C[C@@]2(CSc3[nH]c(=O)sc3[C@H]2c2ccccc2O)C1=O ZINC000010386592 571301676 /nfs/dbraw/zinc/30/16/76/571301676.db2.gz CLKLGAJHUGAEQO-PXAZEXFGSA-N -1 0 406.441 1.210 50 0 HDAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CSCCC(=O)N3)cc2)c1C ZINC000077101327 571311583 /nfs/dbraw/zinc/31/15/83/571311583.db2.gz SIZPBMSTAZCDMU-CQSZACIVSA-N -1 0 424.504 1.652 50 0 HDAARM CCOc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(=O)[O-])c(=O)n2C)cc1 ZINC000005251900 132304270 /nfs/dbraw/zinc/30/42/70/132304270.db2.gz VOEHBLZQKFOGPT-GFCCVEGCSA-N -1 0 413.434 1.168 50 0 HDAARM Cc1cccn2c(=O)c3c(nc12)N1CCCCC[C@@H]1[C@@]1(C3)C(=O)[N-]C(=O)N(C)C1=O ZINC000009316416 132338516 /nfs/dbraw/zinc/33/85/16/132338516.db2.gz NVEIKRRRVVWKET-SZNDQCEHSA-N -1 0 409.446 1.003 50 0 HDAARM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000032596942 526347730 /nfs/dbraw/zinc/34/77/30/526347730.db2.gz KOHFRLSINWJVCE-UHFFFAOYSA-N -1 0 414.436 1.765 50 0 HDAARM CCOC(=O)C1CCN(C(=O)CCc2nnc(-c3ccc(OC)cc3)[n-]c2=O)CC1 ZINC000034762710 557460396 /nfs/dbraw/zinc/46/03/96/557460396.db2.gz USDKFHUFQGNVNC-UHFFFAOYSA-N -1 0 414.462 1.987 50 0 HDAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000004343621 557544409 /nfs/dbraw/zinc/54/44/09/557544409.db2.gz MGGULMIQVXJROP-INIZCTEOSA-N -1 0 402.428 1.913 50 0 HDAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3nc4ncccn4n3)cc2)n1 ZINC000002808490 557767279 /nfs/dbraw/zinc/76/72/79/557767279.db2.gz BCFCBOYRPJJAQO-UHFFFAOYSA-N -1 0 424.446 1.584 50 0 HDAARM O=C(CSc1nc([O-])cc(=O)[nH]1)Nc1ccc(I)cc1 ZINC000010059419 557854823 /nfs/dbraw/zinc/85/48/23/557854823.db2.gz JRSRXIBKSAFPJN-UHFFFAOYSA-N -1 0 403.201 1.811 50 0 HDAARM COCCNC(=O)CN1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(Cl)cc32)CC1 ZINC000020730015 558406164 /nfs/dbraw/zinc/40/61/64/558406164.db2.gz OMRBGHQJHIODJA-GOSISDBHSA-N -1 0 408.886 1.327 50 0 HDAARM O=C(Nc1nncs1)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000021216230 558433885 /nfs/dbraw/zinc/43/38/85/558433885.db2.gz MRGAEWMCPOODDS-UHFFFAOYSA-N -1 0 416.444 1.761 50 0 HDAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2s1 ZINC000013687228 558570339 /nfs/dbraw/zinc/57/03/39/558570339.db2.gz XBRLYGJUAPFZKJ-UHFFFAOYSA-N -1 0 418.504 1.420 50 0 HDAARM O=C([C@H]1CN(Cc2nc(=O)c3sccc3[n-]2)c2ccccc2O1)N1CCOCC1 ZINC000014094990 558619768 /nfs/dbraw/zinc/61/97/68/558619768.db2.gz MLKGSSSDZXTEBL-MRXNPFEDSA-N -1 0 412.471 1.611 50 0 HDAARM NC(=O)CN1CCC(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1 ZINC000025148557 558632650 /nfs/dbraw/zinc/63/26/50/558632650.db2.gz RWGDGWJAZGRKIZ-UHFFFAOYSA-N -1 0 422.532 1.228 50 0 HDAARM CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)CC1 ZINC000072280507 558705279 /nfs/dbraw/zinc/70/52/79/558705279.db2.gz KWSIRLLWHQSKRU-UHFFFAOYSA-N -1 0 408.480 1.810 50 0 HDAARM O=S(=O)([N-]c1ccc2c[nH]nc2c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000016677893 558798870 /nfs/dbraw/zinc/79/88/70/558798870.db2.gz FFKQEAQEARDNIN-UHFFFAOYSA-N -1 0 422.488 1.385 50 0 HDAARM Cn1cc(C(=O)[O-])c(C(=O)N2CCN(c3nc(C(F)F)cc(C4CC4)n3)CC2)n1 ZINC000013645035 558831499 /nfs/dbraw/zinc/83/14/99/558831499.db2.gz PMEGJTACRVJVAN-UHFFFAOYSA-N -1 0 406.393 1.686 50 0 HDAARM O=C([O-])c1cc(-n2ccc(-c3ccco3)n2)cc(S(=O)(=O)N2CCOCC2)c1 ZINC000071759894 558910135 /nfs/dbraw/zinc/91/01/35/558910135.db2.gz DTBUGDLBRHJMNT-UHFFFAOYSA-N -1 0 403.416 1.851 50 0 HDAARM Cc1n[nH]c(C)c1S(=O)(=O)N1CCc2c(nc3cc(-c4ccccc4)[n-]n3c2=O)C1 ZINC000097124795 558995910 /nfs/dbraw/zinc/99/59/10/558995910.db2.gz GQYINYXPLMGTMW-UHFFFAOYSA-N -1 0 424.486 1.777 50 0 HDAARM O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)N1CCCC1=O ZINC000004818544 559118193 /nfs/dbraw/zinc/11/81/93/559118193.db2.gz KRLDKXZDGHYGPA-UHFFFAOYSA-N -1 0 408.457 1.855 50 0 HDAARM NC(=O)C[C@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)C1CC1 ZINC000072297862 559119423 /nfs/dbraw/zinc/11/94/23/559119423.db2.gz WMHFJOSLDXPWFK-HNNXBMFYSA-N -1 0 407.517 1.862 50 0 HDAARM COc1ccc(S(=O)(=O)[N-]c2cc(C)nn2[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000011795975 559259777 /nfs/dbraw/zinc/25/97/77/559259777.db2.gz PZDITQVTNOBRPF-LBPRGKRZSA-N -1 0 415.493 1.369 50 0 HDAARM COc1ccccc1-n1c(=O)[nH]c([O-])c([C@@H]2c3ccccc3CCN2C(C)=O)c1=O ZINC000100750621 559262551 /nfs/dbraw/zinc/26/25/51/559262551.db2.gz PDPBIVIQJNHGJE-IBGZPJMESA-N -1 0 407.426 1.734 50 0 biogenic HDAARM O=C([N-]C1=N[C@@H]2CCCCC[C@H]2S1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000238900783 559271687 /nfs/dbraw/zinc/27/16/87/559271687.db2.gz JXXWWXXEPBPEGN-OUCADQQQSA-N -1 0 412.537 1.072 50 0 HDAARM COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CCOC[C@H]43)C2=O)cc1 ZINC000248156749 559275168 /nfs/dbraw/zinc/27/51/68/559275168.db2.gz ZLYAYEXGIWYEGH-AVRDEDQJSA-N -1 0 407.426 1.726 50 0 HDAARM COc1cccc(-c2nc(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])cs2)c1 ZINC000206314557 560556210 /nfs/dbraw/zinc/55/62/10/560556210.db2.gz OGYAXDAMHRCAQX-AWEZNQCLSA-N -1 0 406.464 1.379 50 0 HDAARM CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccccc2[N-]S(C)(=O)=O)c1 ZINC000018263400 560785638 /nfs/dbraw/zinc/78/56/38/560785638.db2.gz JDPQFUQNYIMRGX-UHFFFAOYSA-N -1 0 412.489 1.665 50 0 HDAARM COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1 ZINC000101169248 560787645 /nfs/dbraw/zinc/78/76/45/560787645.db2.gz BZHWFDOPDJTJEV-IAGOWNOFSA-N -1 0 415.356 1.905 50 0 HDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)cc4)c=3c2=O)cc1OC ZINC000101169768 560787787 /nfs/dbraw/zinc/78/77/87/560787787.db2.gz WOTGUKQLJAWQCU-RBUKOAKNSA-N -1 0 423.429 1.944 50 0 HDAARM COc1ccc(OC)c([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccccc4C)c3=O)=NN2)c1 ZINC000101762909 560800862 /nfs/dbraw/zinc/80/08/62/560800862.db2.gz ZQMLQZVVTWFPHX-OAHLLOKOSA-N -1 0 422.441 1.996 50 0 HDAARM Cc1nn(C(=O)CCC(=O)N2CCc3nc4cc[n-]n4c(=O)c3C2)c2ccccc12 ZINC000102991104 560836543 /nfs/dbraw/zinc/83/65/43/560836543.db2.gz QUUPJDVYAQQNSM-UHFFFAOYSA-N -1 0 404.430 1.686 50 0 HDAARM COC(=O)c1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(C)cc3)c(=O)c1=2 ZINC000103085954 560837679 /nfs/dbraw/zinc/83/76/79/560837679.db2.gz QQBAHDQDWAKECP-ROUUACIJSA-N -1 0 421.413 1.714 50 0 HDAARM Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000012236085 568455101 /nfs/dbraw/zinc/45/51/01/568455101.db2.gz DVAYODXYRGMDKC-LBPRGKRZSA-N -1 0 405.448 1.939 50 0 HDAARM Cc1cc(=O)oc2cc(OCC(=O)N[C@H](C(=O)NCC(=O)[O-])c3ccccc3)ccc12 ZINC000012296606 568462748 /nfs/dbraw/zinc/46/27/48/568462748.db2.gz RCJDODISHKPZQJ-NRFANRHFSA-N -1 0 424.409 1.539 50 0 biogenic HDAARM O=C1CN(c2ncccc2[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CCN1 ZINC000095389717 568604059 /nfs/dbraw/zinc/60/40/59/568604059.db2.gz GKASTFUSKRJJQA-UHFFFAOYSA-N -1 0 418.372 1.977 50 0 HDAARM COc1cc2c(cc1OC)[C@H](c1c([O-])[nH]c(=O)n(-c3ccccc3C)c1=O)NCC2 ZINC000020410519 568605277 /nfs/dbraw/zinc/60/52/77/568605277.db2.gz IMSHIMKZZMQYMF-LJQANCHMSA-N -1 0 409.442 1.792 50 0 biogenic HDAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc3c(cc2OC)n(C)c(=O)n3C)c1 ZINC000020853813 568645183 /nfs/dbraw/zinc/64/51/83/568645183.db2.gz OFVXXOCKFVOQBE-UHFFFAOYSA-N -1 0 407.448 1.704 50 0 HDAARM COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000095970290 568671346 /nfs/dbraw/zinc/67/13/46/568671346.db2.gz UYMKLMWSNBNTDL-KBXCAEBGSA-N -1 0 420.487 1.803 50 0 HDAARM O=C([O-])[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000095989897 568677721 /nfs/dbraw/zinc/67/77/21/568677721.db2.gz QVHFDOGBZJOKDL-INIZCTEOSA-N -1 0 416.377 1.714 50 0 HDAARM CCN1CCN(C(=O)c2snc3c2nc([O-])n(Cc2ccc(F)cc2)c3=O)CC1 ZINC000096396748 568745276 /nfs/dbraw/zinc/74/52/76/568745276.db2.gz KOIVZQHBENVDBJ-UHFFFAOYSA-N -1 0 417.466 1.524 50 0 HDAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N(C)C)ccc2O)cc1 ZINC000012521454 568841851 /nfs/dbraw/zinc/84/18/51/568841851.db2.gz WFWHUIFAOGTXSH-UHFFFAOYSA-N -1 0 413.477 1.402 50 0 HDAARM Cn1c(-c2ccc(OCC(=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000012550987 568853117 /nfs/dbraw/zinc/85/31/17/568853117.db2.gz DKIYDKCXFKLAJG-UHFFFAOYSA-N -1 0 406.398 1.602 50 0 HDAARM Cc1cn2c(nc3c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n3C)n1CC(=O)[O-] ZINC000012575009 568862400 /nfs/dbraw/zinc/86/24/00/568862400.db2.gz XYDICAVJGLULQF-UHFFFAOYSA-N -1 0 401.810 1.244 50 0 HDAARM Cc1cc2nc3s/c(=C4/c5ccccc5N(CC(=O)[O-])C4=O)c(=O)n3c2cc1C ZINC000003671577 568867545 /nfs/dbraw/zinc/86/75/45/568867545.db2.gz WXTXGJBLLJCKGT-ZCXUNETKSA-N -1 0 405.435 1.875 50 0 HDAARM CCOC(=O)c1c[nH]c(=O)c([C@@H](CC(=O)[O-])c2cc(OC)c3c(c2)OCCO3)c1O ZINC000217787721 568912073 /nfs/dbraw/zinc/91/20/73/568912073.db2.gz NWMOYLGYLSQATK-NSHDSACASA-N -1 0 419.386 1.644 50 0 biogenic HDAARM COc1cc2c(cc(C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)n2C)c(OC)c1 ZINC000004000301 568932179 /nfs/dbraw/zinc/93/21/79/568932179.db2.gz JFYKNOGXMAWFKY-GTNSWQLSSA-N -1 0 405.451 1.539 50 0 biogenic HDAARM C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)[O-] ZINC000004084330 568939743 /nfs/dbraw/zinc/93/97/43/568939743.db2.gz PPXBNKSAYXGKND-MHMOXLGJSA-N -1 0 405.476 1.129 50 0 biogenic HDAARM CN(C)S(=O)(=O)c1cccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000008429414 569002657 /nfs/dbraw/zinc/00/26/57/569002657.db2.gz RUTUSWYIINOUGT-GOSISDBHSA-N -1 0 415.471 1.844 50 0 HDAARM Cn1c2nc(SCCC(=O)[O-])n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000001518778 569012268 /nfs/dbraw/zinc/01/22/68/569012268.db2.gz LBXIUPKSOLXYPQ-UHFFFAOYSA-N -1 0 408.867 1.702 50 0 HDAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)C[C@@H]3CCS(=O)(=O)C3)cc2)n1 ZINC000006142975 569014389 /nfs/dbraw/zinc/01/43/89/569014389.db2.gz HVJIYCRZBVCLRD-ZDUSSCGKSA-N -1 0 424.504 1.349 50 0 HDAARM C[C@@H](O)[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C(=O)[O-] ZINC000012909318 569021769 /nfs/dbraw/zinc/02/17/69/569021769.db2.gz DYSOBAWJFVDFEO-QMTHXVAHSA-N -1 0 404.872 1.078 50 0 HDAARM O=C([O-])Cc1csc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)n1 ZINC000012940824 569028596 /nfs/dbraw/zinc/02/85/96/569028596.db2.gz HPRKJBOBWMOBLN-GFCCVEGCSA-N -1 0 413.452 1.701 50 0 HDAARM C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@@](C)(C(=O)[O-])C3CC3)c2)C[C@@H](C)O1 ZINC000222164293 569039805 /nfs/dbraw/zinc/03/98/05/569039805.db2.gz HVERKECGXIJZEN-VLXJIEOASA-N -1 0 410.492 1.468 50 0 HDAARM CC(C)(C)NC(=O)CN1CCN(c2ccc(NC(=O)C3CC3)c(C(=O)[O-])c2)CC1 ZINC000064590152 569069201 /nfs/dbraw/zinc/06/92/01/569069201.db2.gz CVXYCIHALQQYCS-UHFFFAOYSA-N -1 0 402.495 1.770 50 0 HDAARM COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(CC(=O)[O-])C(=O)[C@@H]32)cc1 ZINC000006606363 569071230 /nfs/dbraw/zinc/07/12/30/569071230.db2.gz ONNMVZFTQVAKLI-WZRBSPASSA-N -1 0 406.441 1.121 50 0 HDAARM O=C1[N-]C(=O)C2(C(=O)N1)[C@@H](c1ccc(F)cc1)NC(=S)N[C@@H]2c1ccc(F)cc1 ZINC000013138664 569211509 /nfs/dbraw/zinc/21/15/09/569211509.db2.gz CKNSBQHSRAPRDG-ZIAGYGMSSA-N -1 0 416.409 1.577 50 0 HDAARM O=C(CS(=O)(=O)Cc1cccc(Br)c1)NCCc1n[n-]c(=S)o1 ZINC000170600545 569242922 /nfs/dbraw/zinc/24/29/22/569242922.db2.gz REEDTRBJOKBHHB-UHFFFAOYSA-N -1 0 420.310 1.395 50 0 HDAARM COC(=O)c1c[nH]c(C(=O)OC)c1[N-]S(=O)(=O)c1ccc(OC)c(F)c1C ZINC000170610499 569245312 /nfs/dbraw/zinc/24/53/12/569245312.db2.gz LAAGVCUROGXGLC-UHFFFAOYSA-N -1 0 400.384 1.845 50 0 HDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)C[C@H](C)c3ccccc3)[C@H]2SC1 ZINC000008488838 571055894 /nfs/dbraw/zinc/05/58/94/571055894.db2.gz NFWOAGOKRSGCBI-WQFAYQGZSA-N -1 0 418.471 1.482 50 0 HDAARM COCCN1C(=S)N[C@@H](c2ccc(OCCC(=O)[O-])cc2)C(C(=O)OC)=C1C ZINC000040152362 571200070 /nfs/dbraw/zinc/20/00/70/571200070.db2.gz KMLWJYRNLIMOKS-KRWDZBQOSA-N -1 0 408.476 1.865 50 0 HDAARM CCOc1ccccc1-n1c(=O)[nH]c2c1nc(-c1cccc(OC)c1[O-])nc2C(N)=O ZINC000010188010 571296330 /nfs/dbraw/zinc/29/63/30/571296330.db2.gz RGSCRPFQEWUULI-UHFFFAOYSA-N -1 0 421.413 1.988 50 0 HDAARM CSCC[C@@H](NC(=O)[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)C(C)C)C(=O)[O-] ZINC000004090742 132271013 /nfs/dbraw/zinc/27/10/13/132271013.db2.gz RFXLXLCHMHWVPK-CJNGLKHVSA-N -1 0 422.507 1.502 50 0 biogenic HDAARM CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)cc21 ZINC000011904004 132351849 /nfs/dbraw/zinc/35/18/49/132351849.db2.gz HCMDOWAGMBADPK-UHFFFAOYSA-N -1 0 410.473 1.898 50 0 HDAARM CC(=O)N1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)/C=C/C(=O)[O-])cc32)CC1 ZINC000032089637 519590225 /nfs/dbraw/zinc/59/02/25/519590225.db2.gz VCJKRZQWUYIENY-VZSQWMKGSA-N -1 0 414.418 1.037 50 0 HDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 ZINC000032073863 519679272 /nfs/dbraw/zinc/67/92/72/519679272.db2.gz RXXYJNPYNYYABX-ZDUSSCGKSA-N -1 0 405.432 1.092 50 0 HDAARM CCC(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(CC(=O)NCCCOC)CC1 ZINC000032947054 521196503 /nfs/dbraw/zinc/19/65/03/521196503.db2.gz XVEPSNPRMOWODV-UHFFFAOYSA-N -1 0 406.483 1.008 50 0 HDAARM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2ccc(F)c(C(N)=O)c2)c1 ZINC000032087310 521981710 /nfs/dbraw/zinc/98/17/10/521981710.db2.gz OSBZQBGNNQHIQI-UHFFFAOYSA-N -1 0 410.379 1.299 50 0 HDAARM COc1ccc(-c2nc(CC(=O)N[C@H](CCCNC(N)=O)C(=O)[O-])cs2)cc1 ZINC000032105756 523196808 /nfs/dbraw/zinc/19/68/08/523196808.db2.gz MFXHVWHMERTMQE-CQSZACIVSA-N -1 0 406.464 1.379 50 0 HDAARM C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3cc(C(=O)[O-])ccc3O)cc2)C1=O ZINC000041195105 525165089 /nfs/dbraw/zinc/16/50/89/525165089.db2.gz FBWCEJBBERCJRL-SNVBAGLBSA-N -1 0 404.400 1.655 50 0 HDAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc2)C1 ZINC000032080846 526316761 /nfs/dbraw/zinc/31/67/61/526316761.db2.gz RCPYHRDFJCZIRM-LBPRGKRZSA-N -1 0 418.427 1.696 50 0 HDAARM COc1ccccc1N1CCN([C@@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)CC1 ZINC000000821730 537069637 /nfs/dbraw/zinc/06/96/37/537069637.db2.gz BRTRXHGJJRPAST-GOSISDBHSA-N -1 0 409.442 1.848 50 0 HDAARM CCS(=O)(=O)Nc1cc2c(cc1OC)n(S(=O)(=O)CC)c(C)c2C(=O)[O-] ZINC000006142931 557690673 /nfs/dbraw/zinc/69/06/73/557690673.db2.gz MZWHELVWIHMDDS-UHFFFAOYSA-N -1 0 404.466 1.616 50 0 HDAARM CC[C@@H](C)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)[O-] ZINC000011767099 558273858 /nfs/dbraw/zinc/27/38/58/558273858.db2.gz HXZOBIAOZCNCQG-WWGRRREGSA-N -1 0 400.472 1.842 50 0 HDAARM CCOC(=O)C1=C([O-])C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@H]1c1ccc(F)cc1 ZINC000020171617 558343544 /nfs/dbraw/zinc/34/35/44/558343544.db2.gz LLDBGHYSFDGOSS-INIZCTEOSA-N -1 0 420.418 1.936 50 0 HDAARM COc1cccc(-c2nc3c([nH]c(=O)n3-c3ccccc3OC)c(C(N)=O)n2)c1[O-] ZINC000004338365 558426039 /nfs/dbraw/zinc/42/60/39/558426039.db2.gz CUPHCKQZAXJNIW-UHFFFAOYSA-N -1 0 407.386 1.598 50 0 HDAARM CCCN(C(=O)CSc1nc2sccc2c(=O)[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000010869015 558515557 /nfs/dbraw/zinc/51/55/57/558515557.db2.gz NSGRWTFRWISKKT-SNVBAGLBSA-N -1 0 401.535 1.502 50 0 HDAARM CC(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)[O-] ZINC000013114317 558515840 /nfs/dbraw/zinc/51/58/40/558515840.db2.gz HWWFYMBKAKVSNN-JKIFEVAISA-N -1 0 412.508 1.714 50 0 HDAARM CC[C@H](C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000013609289 558548152 /nfs/dbraw/zinc/54/81/52/558548152.db2.gz IYIFORUOZDCOTI-LRDDRELGSA-N -1 0 400.472 1.842 50 0 HDAARM CSc1nc([O-])c(C(c2ccccn2)C2C(=O)N=C(SC)NC2=O)c(=O)[nH]1 ZINC000016225521 558779553 /nfs/dbraw/zinc/77/95/53/558779553.db2.gz GDJDONXLZAWRRY-UHFFFAOYSA-N -1 0 405.461 1.283 50 0 HDAARM CSCC[C@H](NC(=O)[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1)C(=O)[O-] ZINC000584906348 558834286 /nfs/dbraw/zinc/83/42/86/558834286.db2.gz UAFUWDSFAHRWKC-ZQIUZPCESA-N -1 0 418.519 1.920 50 0 HDAARM O=C([O-])c1cnc2c(c1)n(CC(=O)NC[C@H]1CCCO1)c(=O)n2C1CCCCC1 ZINC000055120139 558873258 /nfs/dbraw/zinc/87/32/58/558873258.db2.gz WUDHWQOIPCGGKK-OAHLLOKOSA-N -1 0 402.451 1.697 50 0 HDAARM CN(C)C(=O)c1ccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000071575352 558905590 /nfs/dbraw/zinc/90/55/90/558905590.db2.gz IBDROIYOISMPBP-UHFFFAOYSA-N -1 0 418.471 1.775 50 0 HDAARM CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCC(=O)[O-] ZINC000096307099 559109387 /nfs/dbraw/zinc/10/93/87/559109387.db2.gz RVYBVZICXVYKRD-UHFFFAOYSA-N -1 0 409.476 1.069 50 0 HDAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1OC ZINC000100033328 559128916 /nfs/dbraw/zinc/12/89/16/559128916.db2.gz OHZJYHMGYVHMOK-MSOLQXFVSA-N -1 0 409.402 1.636 50 0 HDAARM COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000011978516 559269603 /nfs/dbraw/zinc/26/96/03/559269603.db2.gz ALFLICHIKQMQMP-UHFFFAOYSA-N -1 0 414.436 1.702 50 0 HDAARM COC(=O)c1ccc(O)cc1[N-]S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000253424219 559280395 /nfs/dbraw/zinc/28/03/95/559280395.db2.gz BXTXZFXQDGAAOC-UHFFFAOYSA-N -1 0 403.409 1.522 50 0 HDAARM COc1ccc(C(=O)N/C(=C/c2ccc(OC)c(OC)c2)C(=O)NCC(=O)[O-])cc1 ZINC000002157690 560584827 /nfs/dbraw/zinc/58/48/27/560584827.db2.gz UXGIXTLIYJHSNE-MHWRWJLKSA-N -1 0 414.414 1.684 50 0 HDAARM COC(=O)c1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2 ZINC000018166039 560780600 /nfs/dbraw/zinc/78/06/00/560780600.db2.gz VQLVVSSITWIBES-DLBZAZTESA-N -1 0 407.386 1.405 50 0 HDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4)c=3c2=O)cc1OC ZINC000101169759 560787781 /nfs/dbraw/zinc/78/77/81/560787781.db2.gz JOYZTHOBGDIBRO-RTBURBONSA-N -1 0 423.429 1.944 50 0 HDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4)c=3c2=O)cc1OC ZINC000101169753 560787821 /nfs/dbraw/zinc/78/78/21/560787821.db2.gz JOYZTHOBGDIBRO-RBUKOAKNSA-N -1 0 423.429 1.944 50 0 HDAARM CCc1ccc2nc(NC(=O)c3c(C)[n-]n([C@@H]4CCS(=O)(=O)C4)c3=O)sc2c1 ZINC000101186896 560788977 /nfs/dbraw/zinc/78/89/77/560788977.db2.gz GJDWADIWXQMYOF-IUODEOHRSA-N -1 0 420.516 1.819 50 0 HDAARM COC(=O)c1ccc(OC)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)cc4)c(=O)c2=3)c1 ZINC000101418011 560794786 /nfs/dbraw/zinc/79/47/86/560794786.db2.gz GOPDGSUGORSHJQ-ROUUACIJSA-N -1 0 424.413 1.984 50 0 HDAARM COc1ccc(OC)c([C@@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=NN2C(C)=O)c1 ZINC000101764447 560801101 /nfs/dbraw/zinc/80/11/01/560801101.db2.gz IBZVLSSSNVKULC-ZDUSSCGKSA-N -1 0 404.448 1.863 50 0 HDAARM O=C(c1ccco1)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4)[n-]c3n2)CC1 ZINC000102621597 560818291 /nfs/dbraw/zinc/81/82/91/560818291.db2.gz ATYVUEDDZUIUEA-UHFFFAOYSA-N -1 0 404.430 1.636 50 0 HDAARM COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])n2)cc1 ZINC000049550198 568451855 /nfs/dbraw/zinc/45/18/55/568451855.db2.gz DORSCIQRWHJCJO-IBGZPJMESA-N -1 0 407.426 1.731 50 0 HDAARM Cc1cccnc1CN1CCN(C(=O)CC[C@@]2(CCC(=O)[O-])CCC(=O)N2)CC1 ZINC000218293112 568477858 /nfs/dbraw/zinc/47/78/58/568477858.db2.gz QJYFAANVJVSXBL-OAQYLSRUSA-N -1 0 402.495 1.328 50 0 HDAARM CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc(C)c(=O)[n-]1 ZINC000012348503 568495377 /nfs/dbraw/zinc/49/53/77/568495377.db2.gz QZFLYENMNNMEPO-UHFFFAOYSA-N -1 0 410.477 1.953 50 0 HDAARM CCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccsc2C(N)=O)cc1F ZINC000095447101 568612162 /nfs/dbraw/zinc/61/21/62/568612162.db2.gz LAQVKGNHDSAIAS-UHFFFAOYSA-N -1 0 421.497 1.939 50 0 HDAARM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2cnn(-c3ccccc3)n2)c1 ZINC000095454518 568616299 /nfs/dbraw/zinc/61/62/99/568616299.db2.gz IMPVDDQFMJHUHR-UHFFFAOYSA-N -1 0 416.415 1.641 50 0 HDAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000095471251 568626415 /nfs/dbraw/zinc/62/64/15/568626415.db2.gz XGOCHUKYYYWSHI-IEBWSBKVSA-N -1 0 416.499 1.899 50 0 HDAARM NC1=C2C(=O)Oc3ccccc3[C@@H]2[C@@H]2C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@H]2S1 ZINC000095474324 568629319 /nfs/dbraw/zinc/62/93/19/568629319.db2.gz HGYXCKGDHCODDJ-YCPHGPKFSA-N -1 0 422.418 1.863 50 0 HDAARM Cc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)N3CCC(C(N)=O)CC3)c2)cc1 ZINC000020846894 568644556 /nfs/dbraw/zinc/64/45/56/568644556.db2.gz CISJELXUMWGHSY-UHFFFAOYSA-N -1 0 402.476 1.528 50 0 HDAARM CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000021364279 568690510 /nfs/dbraw/zinc/69/05/10/568690510.db2.gz DOAFFVYKVLBVAW-SNVBAGLBSA-N -1 0 411.461 1.550 50 0 HDAARM COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)c1c(O)cc(C)n(CC(=O)[O-])c1=O ZINC000096222271 568705492 /nfs/dbraw/zinc/70/54/92/568705492.db2.gz XYNDAPOZMKCVEQ-ZDUSSCGKSA-N -1 0 405.403 1.659 50 0 biogenic HDAARM O=C(c1snc2c1nc([O-])n(Cc1ccc(F)cc1)c2=O)N1CCSCC1 ZINC000096396752 568745285 /nfs/dbraw/zinc/74/52/85/568745285.db2.gz RVVWLWZGTJLQPA-UHFFFAOYSA-N -1 0 406.464 1.935 50 0 HDAARM Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@H]12 ZINC000002783484 568808813 /nfs/dbraw/zinc/80/88/13/568808813.db2.gz URELCQLYZQIKOC-DNVCBOLYSA-N -1 0 412.471 1.861 50 0 HDAARM CCCN1C(=O)/C(=C/C=C2/Oc3ccccc3N2CCC(=O)[O-])N(CCO)C1=S ZINC000029748131 568828664 /nfs/dbraw/zinc/82/86/64/568828664.db2.gz MLOUQZCXEHRJSD-CZLYJICFSA-N -1 0 417.487 1.917 50 0 HDAARM CSCC[C@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)c1nc2ccccc2n1C ZINC000263588346 568883755 /nfs/dbraw/zinc/88/37/55/568883755.db2.gz SCCDAKSWPFHWBU-LBPRGKRZSA-N -1 0 402.480 1.713 50 0 HDAARM COc1ccc(C(=O)Cn2c3ccccc3n3nc(CCC(=O)[O-])c(=O)nc23)cc1 ZINC000001408827 568928918 /nfs/dbraw/zinc/92/89/18/568928918.db2.gz NOXNPEWMLQJXLE-UHFFFAOYSA-N -1 0 406.398 1.953 50 0 HDAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O ZINC000003985227 568931268 /nfs/dbraw/zinc/93/12/68/568931268.db2.gz QCFIVXOPFGHANN-ZWKOTPCHSA-N -1 0 407.426 1.549 50 0 biogenic HDAARM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N(C)CC(=O)[O-])CC1 ZINC000004073474 568937991 /nfs/dbraw/zinc/93/79/91/568937991.db2.gz JJMMMYHFAVKQTR-HNNXBMFYSA-N -1 0 413.515 1.707 50 0 biogenic HDAARM C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCCCCC(=O)[O-])cc2)C[C@H](C)O1 ZINC000008429594 569002791 /nfs/dbraw/zinc/00/27/91/569002791.db2.gz DPUQHYIWZUDIBC-GJZGRUSLSA-N -1 0 412.508 1.859 50 0 HDAARM Cc1nnc([N-]C(=O)c2ccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)o2)s1 ZINC000035597511 569045778 /nfs/dbraw/zinc/04/57/78/569045778.db2.gz NMKZBLSNYRGUKM-UHFFFAOYSA-N -1 0 422.444 1.899 50 0 HDAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)CCS(=O)(=O)c1ccc(C)cc1 ZINC000013017523 569050949 /nfs/dbraw/zinc/05/09/49/569050949.db2.gz FLUZJHHWPPCAIJ-UHFFFAOYSA-N -1 0 419.455 1.667 50 0 HDAARM O=C(CCn1[n-]c(=O)ccc1=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000006657940 569083324 /nfs/dbraw/zinc/08/33/24/569083324.db2.gz MUKKMBKPQOYUSX-UHFFFAOYSA-N -1 0 415.837 1.821 50 0 HDAARM COC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc2oc1=O ZINC000064818773 569101541 /nfs/dbraw/zinc/10/15/41/569101541.db2.gz AECNRFPIUPVWPI-UHFFFAOYSA-N -1 0 406.416 1.885 50 0 HDAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)Cn2cnc3ccccc3c2=O)cc1OC ZINC000006760549 569113484 /nfs/dbraw/zinc/11/34/84/569113484.db2.gz FPJGDKKHSAVZOC-INIZCTEOSA-N -1 0 411.414 1.746 50 0 HDAARM CCN1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)/C=C/C(=O)[O-])ccc32)CC1 ZINC000036358381 569149648 /nfs/dbraw/zinc/14/96/48/569149648.db2.gz ULWWEDXIEXADSQ-UEKDZROGSA-N -1 0 400.435 1.510 50 0 HDAARM CCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000170591076 569240633 /nfs/dbraw/zinc/24/06/33/569240633.db2.gz HUWPZRCTBUDGME-UHFFFAOYSA-N -1 0 414.461 1.956 50 0 HDAARM Cn1c2nc(N[C@H](Cc3ccccc3)C(=O)[O-])n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000170624352 569249509 /nfs/dbraw/zinc/24/95/09/569249509.db2.gz DBLUDUQXVRDKJH-MRXNPFEDSA-N -1 0 419.441 1.579 50 0 HDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2ncnc3[nH]cnc32)cc1 ZINC000013572073 569256042 /nfs/dbraw/zinc/25/60/42/569256042.db2.gz HWFMJLUOQFAQQW-SECBINFHSA-N -1 0 420.476 1.297 50 0 HDAARM Cc1c(C)c(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])ccc12 ZINC000002096857 569281028 /nfs/dbraw/zinc/28/10/28/569281028.db2.gz ZEJIQJJUECOJAY-WFASDCNBSA-N -1 0 419.434 1.195 50 0 biogenic HDAARM COc1ccc(C(=O)N/C(=C/c2ccc3c(c2)OCO3)C(=O)NCCC(=O)[O-])cc1 ZINC000002117527 569284696 /nfs/dbraw/zinc/28/46/96/569284696.db2.gz GNCGIIAJYIRJEQ-MHWRWJLKSA-N -1 0 412.398 1.786 50 0 HDAARM COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cc(O)ccc2C(=O)OC)c1 ZINC000253429215 569368797 /nfs/dbraw/zinc/36/87/97/569368797.db2.gz QWFYABPMYUUPLO-UHFFFAOYSA-N -1 0 423.399 1.553 50 0 HDAARM Cc1cc([O-])c([C@@H](CC(=O)NCCc2c[nH]cn2)c2ccc3c(c2)OCO3)c(=O)o1 ZINC000253470520 569381001 /nfs/dbraw/zinc/38/10/01/569381001.db2.gz BAGFKDJVHQFKGM-HNNXBMFYSA-N -1 0 411.414 1.987 50 0 HDAARM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1S(N)(=O)=O ZINC000013079033 569408810 /nfs/dbraw/zinc/40/88/10/569408810.db2.gz NMPAWGLRCKXOGZ-UHFFFAOYSA-N -1 0 414.461 1.458 50 0 HDAARM NC(=O)c1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCCC[C@H]43)C2=O)cc1 ZINC000008694593 571102596 /nfs/dbraw/zinc/10/25/96/571102596.db2.gz ODRHHIUEKJPPFH-FDDCHVKYSA-N -1 0 418.453 1.970 50 0 HDAARM COc1ccc([C@@H]2CC(=C3C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)NN2)cc1O ZINC000009044016 571215438 /nfs/dbraw/zinc/21/54/38/571215438.db2.gz ATNNPWZVIBZFLN-JZYMCLRRSA-N -1 0 408.414 1.677 50 0 HDAARM COc1cc2c(cc1OC)[C@H](c1c(=O)[nH]c(=O)n(Cc3ccccc3)c1[O-])NCC2 ZINC000009170801 571233836 /nfs/dbraw/zinc/23/38/36/571233836.db2.gz WAJJGVUUBCYZCD-LJQANCHMSA-N -1 0 409.442 1.543 50 0 biogenic HDAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)c1 ZINC000009545888 571267663 /nfs/dbraw/zinc/26/76/63/571267663.db2.gz XWVPQEINVDGCNH-UHFFFAOYSA-N -1 0 416.415 1.125 50 0 HDAARM C[C@@H]1Cn2c(nc3c2c(=O)n(CC(=O)[O-])c(=O)n3C)N(c2ccc(Cl)cc2)C1 ZINC000004370772 132276120 /nfs/dbraw/zinc/27/61/20/132276120.db2.gz HBDZARNFLOFUTA-JTQLQIEISA-N -1 0 403.826 1.423 50 0 HDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 ZINC000032073866 519679270 /nfs/dbraw/zinc/67/92/70/519679270.db2.gz RXXYJNPYNYYABX-CYBMUJFWSA-N -1 0 405.432 1.092 50 0 HDAARM CCOc1ccc([N-]S(=O)(=O)c2cnn(C)c2)cc1S(=O)(=O)N1CCCC1 ZINC000032913181 521134520 /nfs/dbraw/zinc/13/45/20/521134520.db2.gz YWHLDUFXMTYSQA-UHFFFAOYSA-N -1 0 414.509 1.404 50 0 HDAARM CCN1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)CCC(=O)[O-])ccc32)CC1 ZINC000031817713 521694140 /nfs/dbraw/zinc/69/41/40/521694140.db2.gz LHZKCVFVKNKNNE-IBGZPJMESA-N -1 0 402.451 1.734 50 0 HDAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc5c(c4)OCCO5)c(=O)c2=3)c1 ZINC000022765713 524595982 /nfs/dbraw/zinc/59/59/82/524595982.db2.gz JYUWGTBSGDCYPM-RTBURBONSA-N -1 0 421.413 1.698 50 0 HDAARM CN1C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C(=O)NC3CC3)cc21 ZINC000008783056 536315279 /nfs/dbraw/zinc/31/52/79/536315279.db2.gz CZCOVOMWHGYHMO-UHFFFAOYSA-N -1 0 401.444 1.735 50 0 HDAARM COC(=O)c1ccc(C(=O)OC)c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000000810355 557087399 /nfs/dbraw/zinc/08/73/99/557087399.db2.gz PQJVSJFFYQFWTQ-UHFFFAOYSA-N -1 0 407.400 1.832 50 0 HDAARM CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000000951800 557124623 /nfs/dbraw/zinc/12/46/23/557124623.db2.gz ZECAFJMGYGHRQQ-CQSZACIVSA-N -1 0 417.418 1.484 50 0 HDAARM CCOC(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000002696443 557368645 /nfs/dbraw/zinc/36/86/45/557368645.db2.gz OEMMRJFFDYFHFU-MDZDMXLPSA-N -1 0 404.448 1.952 50 0 HDAARM CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@H](CCCNC(N)=O)C(=O)[O-] ZINC000004517192 557562657 /nfs/dbraw/zinc/56/26/57/557562657.db2.gz ZOIMHPVNJYGOEJ-CQSZACIVSA-N -1 0 408.480 1.086 50 0 HDAARM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CC2)cc1 ZINC000012417644 558402612 /nfs/dbraw/zinc/40/26/12/558402612.db2.gz OJYYMUGXIPGGMF-UHFFFAOYSA-N -1 0 404.444 1.931 50 0 HDAARM Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)NCC(=O)NCC(=O)[O-] ZINC000020744989 558409654 /nfs/dbraw/zinc/40/96/54/558409654.db2.gz BBGQWNFQLATZBN-UHFFFAOYSA-N -1 0 417.365 1.948 50 0 HDAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)C(=O)[O-] ZINC000013623533 558550111 /nfs/dbraw/zinc/55/01/11/558550111.db2.gz RROSPHHFDVJEEB-VBQJREDUSA-N -1 0 412.508 1.711 50 0 HDAARM COc1ccc([C@@]2(C)NC(=O)N([N-]C(=O)c3cncc(Br)c3)C2=O)cc1 ZINC000014137427 558624393 /nfs/dbraw/zinc/62/43/93/558624393.db2.gz PAERCPQAEMRTAR-QGZVFWFLSA-N -1 0 419.235 1.965 50 0 HDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3cc(C)cc(C)c3)[C@@H]2SC1 ZINC000004556388 558725850 /nfs/dbraw/zinc/72/58/50/558725850.db2.gz APLWRCOGQLUCNR-KDOFPFPSSA-N -1 0 404.444 1.219 50 0 HDAARM O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccccc2)[C@@]1([N-]c1ncccn1)C(F)(F)F ZINC000004196041 558780608 /nfs/dbraw/zinc/78/06/08/558780608.db2.gz LCPVROGYWQRVQV-INIZCTEOSA-N -1 0 404.308 1.138 50 0 HDAARM O=C([O-])COCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000017082837 558815050 /nfs/dbraw/zinc/81/50/50/558815050.db2.gz HZLAHKXXCNRPKW-UHFFFAOYSA-N -1 0 404.444 1.473 50 0 HDAARM COc1ccc([C@H](c2sc3ncnn3c2[O-])N2CCN(CCO)CC2)cc1OC ZINC000022031199 558985341 /nfs/dbraw/zinc/98/53/41/558985341.db2.gz SLTVOZKWVOFOBK-MRXNPFEDSA-N -1 0 419.507 1.213 50 0 HDAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000004893461 559198731 /nfs/dbraw/zinc/19/87/31/559198731.db2.gz VKYJUMVBVMBKBV-WCQYABFASA-N -1 0 408.208 1.088 50 0 HDAARM COc1ccc2c(C)c(CCC(=O)N[C@H](CCCNC(N)=O)C(=O)[O-])c(=O)oc2c1 ZINC000011865399 559263568 /nfs/dbraw/zinc/26/35/68/559263568.db2.gz DWYUPVQRICGBDV-OAHLLOKOSA-N -1 0 419.434 1.061 50 0 HDAARM CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000005302163 560562783 /nfs/dbraw/zinc/56/27/83/560562783.db2.gz QXCYWRYXCCFTGD-OWQGQXMQSA-N -1 0 419.453 1.395 50 0 HDAARM CSCC[C@H](NC(=O)C1CCC(Cn2nnc3ccccc3c2=O)CC1)C(=O)[O-] ZINC000005443050 560587792 /nfs/dbraw/zinc/58/77/92/560587792.db2.gz UAFUWDSFAHRWKC-KVULBXGLSA-N -1 0 418.519 1.920 50 0 HDAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(N(C)S(C)(=O)=O)c1 ZINC000005516252 560604336 /nfs/dbraw/zinc/60/43/36/560604336.db2.gz FPCPOPSYCBLKLT-UHFFFAOYSA-N -1 0 400.478 1.900 50 0 HDAARM CCc1ccc2nc(NC(=O)c3c(C)[n-]n([C@H]4CCS(=O)(=O)C4)c3=O)sc2c1 ZINC000101186906 560789036 /nfs/dbraw/zinc/78/90/36/560789036.db2.gz GJDWADIWXQMYOF-SWLSCSKDSA-N -1 0 420.516 1.819 50 0 HDAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1ccc2c(c1)OCO2 ZINC000101388273 560793957 /nfs/dbraw/zinc/79/39/57/560793957.db2.gz UGWLXVSUNFMQPV-IRXDYDNUSA-N -1 0 411.349 1.486 50 0 HDAARM Cc1ccc(CNC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1 ZINC000101389079 560794002 /nfs/dbraw/zinc/79/40/02/560794002.db2.gz XFEABLRCPMGQEW-MSOLQXFVSA-N -1 0 413.384 1.883 50 0 HDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4)c=3c2=O)cc1OC ZINC000101389960 560794106 /nfs/dbraw/zinc/79/41/06/560794106.db2.gz ROELBKAAFDERPD-ROUUACIJSA-N -1 0 409.402 1.636 50 0 HDAARM COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)N(CC(=O)[O-])C(=O)[C@H]32)cc1 ZINC000101941629 560805394 /nfs/dbraw/zinc/80/53/94/560805394.db2.gz ONNMVZFTQVAKLI-GMXVVIOVSA-N -1 0 406.441 1.121 50 0 HDAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(N2C(=O)CCC2=O)ccc1OC ZINC000012201321 560891755 /nfs/dbraw/zinc/89/17/55/560891755.db2.gz BZFZJYXCHXQOIV-UHFFFAOYSA-N -1 0 418.427 1.936 50 0 HDAARM Nn1c(=O)c(CCC(=O)[O-])nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000012347604 568494070 /nfs/dbraw/zinc/49/40/70/568494070.db2.gz AWLIMLKXINEDAH-UHFFFAOYSA-N -1 0 417.369 1.119 50 0 HDAARM COc1cc2c(cc1OC)CN(C(=O)CC[C@@]1(CCC(=O)[O-])CCC(=O)N1)CC2 ZINC000219756420 568498238 /nfs/dbraw/zinc/49/82/38/568498238.db2.gz GIRXQMJDHFDBHP-OAQYLSRUSA-N -1 0 404.463 1.882 50 0 HDAARM CCCN1C(=O)/C(=C/C=C2\Oc3ccccc3N2CCC(=O)[O-])N(CCO)C1=S ZINC000033248396 568511801 /nfs/dbraw/zinc/51/18/01/568511801.db2.gz MLOUQZCXEHRJSD-OHBYXVMASA-N -1 0 417.487 1.917 50 0 HDAARM CCc1nn2c(nc(CS(=O)(=O)c3nnc(-c4ccccc4)[n-]3)cc2=O)s1 ZINC000020987177 568655296 /nfs/dbraw/zinc/65/52/96/568655296.db2.gz HJUIUVIQZQZYLI-UHFFFAOYSA-N -1 0 402.461 1.472 50 0 HDAARM COCCNS(=O)(=O)c1ccc(C(=O)N(CC(=O)[O-])Cc2ccccc2C)cc1 ZINC000095969953 568671336 /nfs/dbraw/zinc/67/13/36/568671336.db2.gz JXXZUMCYPUHOOQ-UHFFFAOYSA-N -1 0 420.487 1.647 50 0 HDAARM CCOc1ccc(OCC(=O)N2CCc3nc([N-]S(C)(=O)=O)sc3C2)cc1 ZINC000241884815 568731684 /nfs/dbraw/zinc/73/16/84/568731684.db2.gz SYALCJYVMKSRJW-UHFFFAOYSA-N -1 0 411.505 1.877 50 0 HDAARM O=C(c1snc2c1nc([O-])n(C1CC1)c2=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000096396704 568745232 /nfs/dbraw/zinc/74/52/32/568745232.db2.gz TVTNKLALLREXEB-UHFFFAOYSA-N -1 0 415.450 1.995 50 0 HDAARM CCc1nc2sc([C@@H](c3cccc(F)c3)N3CCN(CCO)CC3)c([O-])n2n1 ZINC000022578235 568770380 /nfs/dbraw/zinc/77/03/80/568770380.db2.gz FSCZAABEZOWYFR-MRXNPFEDSA-N -1 0 405.499 1.897 50 0 HDAARM CCn1ncc(Br)c1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@@H]12 ZINC000002747684 568806295 /nfs/dbraw/zinc/80/62/95/568806295.db2.gz QHYWBFAZHAEHPX-SDBXPKJASA-N -1 0 415.269 1.038 50 0 HDAARM CCn1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)ncn3)cc2)n1 ZINC000002765983 568807580 /nfs/dbraw/zinc/80/75/80/568807580.db2.gz CHHHEBDHLHQBED-UHFFFAOYSA-N -1 0 402.436 1.755 50 0 HDAARM Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@@H]12 ZINC000002783486 568808754 /nfs/dbraw/zinc/80/87/54/568808754.db2.gz URELCQLYZQIKOC-BEFAXECRSA-N -1 0 412.471 1.861 50 0 HDAARM O=C(NC[C@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000012584566 568865801 /nfs/dbraw/zinc/86/58/01/568865801.db2.gz AKONGAXMBHPOIN-GFCCVEGCSA-N -1 0 416.459 1.566 50 0 HDAARM CCOC(=O)c1c[nH]c(=O)c([C@@H](CC(=O)[O-])c2cc(OC)c(OC)cc2OC)c1O ZINC000217735671 568908798 /nfs/dbraw/zinc/90/87/98/568908798.db2.gz ROCLNEOFGZEHOC-NSHDSACASA-N -1 0 421.402 1.890 50 0 biogenic HDAARM CC[C@@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000004073832 568937986 /nfs/dbraw/zinc/93/79/86/568937986.db2.gz ZMCOUYZPCKUSGO-IPYPFGDCSA-N -1 0 413.515 1.754 50 0 biogenic HDAARM O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000006142978 569014409 /nfs/dbraw/zinc/01/44/09/569014409.db2.gz UONMKAXRFULQNA-GFCCVEGCSA-N -1 0 410.477 1.041 50 0 HDAARM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)cs2)cc1 ZINC000035405028 569035791 /nfs/dbraw/zinc/03/57/91/569035791.db2.gz OMQGVJGPGZELPG-UHFFFAOYSA-N -1 0 415.518 1.432 50 0 HDAARM C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@@](C)(C(=O)[O-])C3CC3)c2)C[C@H](C)O1 ZINC000222164359 569039742 /nfs/dbraw/zinc/03/97/42/569039742.db2.gz HVERKECGXIJZEN-QHRIQVFBSA-N -1 0 410.492 1.468 50 0 HDAARM COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000252622774 569060851 /nfs/dbraw/zinc/06/08/51/569060851.db2.gz OCBMQOAVOBZWLD-UHFFFAOYSA-N -1 0 410.430 1.192 50 0 HDAARM CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)[N-]c4cccnc4)cc32)no1 ZINC000064450631 569062621 /nfs/dbraw/zinc/06/26/21/569062621.db2.gz KDXPWUQANRAKMF-UHFFFAOYSA-N -1 0 415.431 1.753 50 0 HDAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)Cn2nnc3ccccc3c2=O)cc1OC ZINC000006759834 569113222 /nfs/dbraw/zinc/11/32/22/569113222.db2.gz URKRWYDBNGQTJU-HNNXBMFYSA-N -1 0 412.402 1.141 50 0 HDAARM NC(=O)NCCC[C@@H](NC(=O)Cn1ccc2ccc(Br)cc21)C(=O)[O-] ZINC000036360971 569152035 /nfs/dbraw/zinc/15/20/35/569152035.db2.gz HBNVVQANYOXVQN-GFCCVEGCSA-N -1 0 411.256 1.422 50 0 HDAARM CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N[C@@H](C)C(=O)[O-])cc1O2 ZINC000036370063 569153777 /nfs/dbraw/zinc/15/37/77/569153777.db2.gz PPUKPFXWAHKDCQ-LBPRGKRZSA-N -1 0 404.419 1.001 50 0 biogenic HDAARM COC(=O)c1cn([C@@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc2c(=O)[nH]nc1-2 ZINC000524731070 569212210 /nfs/dbraw/zinc/21/22/10/569212210.db2.gz JGRSKZMPVWCAJS-ZDUSSCGKSA-N -1 0 401.375 1.956 50 0 biogenic HDAARM Cc1c(C)c(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])ccc12 ZINC000002096859 569281074 /nfs/dbraw/zinc/28/10/74/569281074.db2.gz ZEJIQJJUECOJAY-DOMZBBRYSA-N -1 0 419.434 1.195 50 0 biogenic HDAARM Cc1coc2c1cc1c(C)c(CC(=O)NCC(=O)NCC(=O)[O-])c(=O)oc1c2C ZINC000002098794 569281166 /nfs/dbraw/zinc/28/11/66/569281166.db2.gz SNDZJCVZILYKOK-UHFFFAOYSA-N -1 0 400.387 1.324 50 0 biogenic HDAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CCO1 ZINC000170672685 569297780 /nfs/dbraw/zinc/29/77/80/569297780.db2.gz TZEZDMUQSUSWCS-MRXNPFEDSA-N -1 0 404.444 1.803 50 0 HDAARM O=C([O-])C1CCN(C(=O)[C@H](Cc2ccccc2)n2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000009109202 569391494 /nfs/dbraw/zinc/39/14/94/569391494.db2.gz ZVAFDHZEDQCTPG-IBGZPJMESA-N -1 0 421.453 1.797 50 0 biogenic HDAARM Cc1cc(OCC(=O)NCC(=O)N[C@@H](C(=O)[O-])C(C)C)c2c(C)cc(=O)oc2c1 ZINC000009042311 571215210 /nfs/dbraw/zinc/21/52/10/571215210.db2.gz CCWWMDNWHGOHLV-LJQANCHMSA-N -1 0 404.419 1.130 50 0 HDAARM C[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000009304333 571246400 /nfs/dbraw/zinc/24/64/00/571246400.db2.gz DPIXFLIAABXORK-HSBZDZAISA-N -1 0 414.462 1.390 50 0 HDAARM CC(C)Cc1sc(NC(=O)CCC(=O)Nc2ccc(C(N)=O)cc2)nc1C(=O)[O-] ZINC000095473621 571305585 /nfs/dbraw/zinc/30/55/85/571305585.db2.gz ZHWBTEDCAYLISB-UHFFFAOYSA-N -1 0 418.475 2.496 50 0 HDAARM Cc1nnc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2ccon2)CC3)s1 ZINC000077534910 571313284 /nfs/dbraw/zinc/31/32/84/571313284.db2.gz WZBFUPPUGXRAHF-UHFFFAOYSA-N -1 0 405.461 1.834 50 0 HDAARM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(C(=O)OC)s2)cc1 ZINC000032755496 522297142 /nfs/dbraw/zinc/29/71/42/522297142.db2.gz KZAMEBPJXNTVQP-UHFFFAOYSA-N -1 0 404.491 1.552 50 0 HDAARM COCCOc1cc2ncnc(N3CCC(C(=O)[O-])CC3)c2cc1OCCOC ZINC000004324313 536602432 /nfs/dbraw/zinc/60/24/32/536602432.db2.gz OYRHLQQKXDAIBQ-UHFFFAOYSA-N -1 0 405.451 1.981 50 0 HDAARM COc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1OCc1nnn[n-]1 ZINC000002911895 557426251 /nfs/dbraw/zinc/42/62/51/557426251.db2.gz ZGKJHKWLJZRVJA-CXUHLZMHSA-N -1 0 406.427 1.558 50 0 HDAARM C[C@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000004762684 557595951 /nfs/dbraw/zinc/59/59/51/557595951.db2.gz UEAPJHKMJTZURQ-JCGIZDLHSA-N -1 0 400.431 1.474 50 0 HDAARM CN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc2)CC1 ZINC000004801830 557598782 /nfs/dbraw/zinc/59/87/82/557598782.db2.gz OZFLFESHOSDAAE-IAGOWNOFSA-N -1 0 407.492 1.228 50 0 HDAARM Cc1cc2c(cc1S(=O)(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-])NC(=O)CO2 ZINC000006667975 557712942 /nfs/dbraw/zinc/71/29/42/557712942.db2.gz DADYFZWZCIUFGS-CQSZACIVSA-N -1 0 408.407 1.439 50 0 HDAARM Cc1cc2c(cc1S(=O)(=O)NCCOc1ccc(C(=O)[O-])cc1)n(C)c(=O)n2C ZINC000020356937 558357329 /nfs/dbraw/zinc/35/73/29/558357329.db2.gz RZBUQNOAFLTDFQ-UHFFFAOYSA-N -1 0 419.459 1.241 50 0 HDAARM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C)C(=O)[O-])CC1 ZINC000015990339 558765504 /nfs/dbraw/zinc/76/55/04/558765504.db2.gz GGMTXSJKWMRMCU-HIFRSBDPSA-N -1 0 413.515 1.754 50 0 HDAARM COc1nc(C)nc(NC(=O)[N-]S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000002495737 558776535 /nfs/dbraw/zinc/77/65/35/558776535.db2.gz VUUHWQMLMHPSCL-UHFFFAOYSA-N -1 0 407.239 1.974 50 0 HDAARM O=C([O-])[C@H]1CCCN1C(=O)[C@@H](Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 ZINC000002989274 558780032 /nfs/dbraw/zinc/78/00/32/558780032.db2.gz VKWBFVCJTYULKJ-IAGOWNOFSA-N -1 0 410.426 1.832 50 0 HDAARM Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])CC2)cc1C ZINC000017087361 558816226 /nfs/dbraw/zinc/81/62/26/558816226.db2.gz STFKPANHYKMSDT-QZTJIDSGSA-N -1 0 406.504 1.803 50 0 HDAARM O=C([O-])c1cc(-c2ccc3c(c2)OCCO3)cc(S(=O)(=O)N2CCOCC2)c1 ZINC000071755003 558909573 /nfs/dbraw/zinc/90/95/73/558909573.db2.gz FOOCPUNSAUYDND-UHFFFAOYSA-N -1 0 405.428 1.844 50 0 HDAARM CCOc1ccc(S(=O)(=O)[N-]c2c(C)nn(C)c2-n2cncn2)cc1OCC ZINC000058245379 558914469 /nfs/dbraw/zinc/91/44/69/558914469.db2.gz BGUAONXZRHGGNB-UHFFFAOYSA-N -1 0 406.468 1.907 50 0 HDAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CCN(C(=O)NC[C@@H]2CCCO2)C4)cc1 ZINC000097096279 558992059 /nfs/dbraw/zinc/99/20/59/558992059.db2.gz NAJWNYOILBJSET-INIZCTEOSA-N -1 0 423.473 1.945 50 0 HDAARM COc1ccc(CCn2nc(C(=O)[O-])c3c2CCN(C(=O)c2cnn(C)c2)C3)cc1 ZINC000067790580 558992987 /nfs/dbraw/zinc/99/29/87/558992987.db2.gz GCLVHFGLTBOLQY-UHFFFAOYSA-N -1 0 409.446 1.765 50 0 HDAARM CS(=O)(=O)N(CCNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)[O-] ZINC000096372401 559110099 /nfs/dbraw/zinc/11/00/99/559110099.db2.gz NWSKDGKSEBRUPA-UHFFFAOYSA-N -1 0 418.471 1.871 50 0 HDAARM CC(C)(C)OC(=O)N1CCC(C(=O)N[C@@H](CC(N)=O)C(=O)[O-])(c2ccccc2)CC1 ZINC000005342099 560567825 /nfs/dbraw/zinc/56/78/25/560567825.db2.gz UACLPYBALYKENK-HNNXBMFYSA-N -1 0 419.478 1.400 50 0 HDAARM COc1cccc(NC(=O)CN2C(=O)N[C@](CCC(=O)[O-])(c3ccccc3)C2=O)c1 ZINC000008844959 560639917 /nfs/dbraw/zinc/63/99/17/560639917.db2.gz FDGTXXHRKWRZRB-OAQYLSRUSA-N -1 0 411.414 1.946 50 0 HDAARM COc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2 ZINC000101169239 560787669 /nfs/dbraw/zinc/78/76/69/560787669.db2.gz QWTSRTRJIVRKTH-DLBZAZTESA-N -1 0 415.356 1.905 50 0 HDAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3cccc(Br)c3)c(=O)c1-2 ZINC000101135856 560788411 /nfs/dbraw/zinc/78/84/11/560788411.db2.gz KSKCWDFGQHXTPN-DGCLKSJQSA-N -1 0 408.208 1.088 50 0 HDAARM CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@@H]1c1cccnc1 ZINC000101455661 560795158 /nfs/dbraw/zinc/79/51/58/560795158.db2.gz SGCFBDUEQNMCHC-QGZVFWFLSA-N -1 0 405.414 1.383 50 0 HDAARM CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C)c2[O-])C[C@@H]1c1cn(CC)c2ccccc12 ZINC000101766257 560799741 /nfs/dbraw/zinc/79/97/41/560799741.db2.gz PCAZDKKVNZSHJU-MRXNPFEDSA-N -1 0 409.446 1.842 50 0 HDAARM COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(CC(=O)[O-])C(=O)[C@H]32)cc1 ZINC000101941632 560805323 /nfs/dbraw/zinc/80/53/23/560805323.db2.gz ONNMVZFTQVAKLI-GVXVVHGQSA-N -1 0 406.441 1.121 50 0 HDAARM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(N3C(=O)CCC3=O)ccc2OC)c1 ZINC000012201328 560891690 /nfs/dbraw/zinc/89/16/90/560891690.db2.gz PPZJPORKTVYRSA-UHFFFAOYSA-N -1 0 418.427 1.936 50 0 HDAARM COc1ccccc1[C@@H]1[NH2+][C@H](C(=O)[O-])[C@H]2C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@H]12 ZINC000106811990 560893902 /nfs/dbraw/zinc/89/39/02/560893902.db2.gz QEDAEDLVVRNFCM-QAETUUGQSA-N -1 0 410.382 1.297 50 0 HDAARM COc1ccc(-c2ccc(=O)n(CC(=O)N3CCC[C@H](C(=O)[O-])C3)n2)cc1OC ZINC000049550048 568451841 /nfs/dbraw/zinc/45/18/41/568451841.db2.gz ARFZCIGRJRDDBT-AWEZNQCLSA-N -1 0 401.419 1.251 50 0 HDAARM Cn1nnc(-c2ccc(OCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cc2)n1 ZINC000218279167 568477286 /nfs/dbraw/zinc/47/72/86/568477286.db2.gz WINFQPYGJBPATB-SFHVURJKSA-N -1 0 420.429 1.549 50 0 HDAARM COc1cc2c(cc1OC)CN(C(=O)CC[C@]1(CCC(=O)[O-])CCC(=O)N1)CC2 ZINC000219756500 568498233 /nfs/dbraw/zinc/49/82/33/568498233.db2.gz GIRXQMJDHFDBHP-NRFANRHFSA-N -1 0 404.463 1.882 50 0 HDAARM Cc1ccccc1CN1CCN(C(=O)CC[C@@]2(CCC(=O)[O-])CCC(=O)N2)CC1 ZINC000222308486 568514812 /nfs/dbraw/zinc/51/48/12/568514812.db2.gz FAYCHBVHAPWMQI-JOCHJYFZSA-N -1 0 401.507 1.933 50 0 HDAARM Cn1nnc(-c2ccc(OCC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cc2)n1 ZINC000223222508 568541485 /nfs/dbraw/zinc/54/14/85/568541485.db2.gz WINFQPYGJBPATB-GOSISDBHSA-N -1 0 420.429 1.549 50 0 HDAARM O=C([N-]C1=N[C@@H]2CCCCC[C@@H]2S1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000094993097 568593741 /nfs/dbraw/zinc/59/37/41/568593741.db2.gz JXXWWXXEPBPEGN-BZPMIXESSA-N -1 0 412.537 1.072 50 0 HDAARM COc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)[O-])C2)c1 ZINC000225617374 568657371 /nfs/dbraw/zinc/65/73/71/568657371.db2.gz HZDHPUJCQDNXNI-RNCFNFMXSA-N -1 0 408.270 1.304 50 0 HDAARM COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)c1 ZINC000225617345 568657496 /nfs/dbraw/zinc/65/74/96/568657496.db2.gz HZDHPUJCQDNXNI-ZANVPECISA-N -1 0 408.270 1.304 50 0 HDAARM Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3cccc(C(=O)[O-])n3)C2)cc1 ZINC000095969718 568671243 /nfs/dbraw/zinc/67/12/43/568671243.db2.gz NHVORTSPKMZKEJ-HNNXBMFYSA-N -1 0 417.487 1.919 50 0 HDAARM CCCC[C@@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000095969749 568671262 /nfs/dbraw/zinc/67/12/62/568671262.db2.gz MJKIAVDIURINTI-AWEZNQCLSA-N -1 0 416.496 1.700 50 0 HDAARM COc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N(C)C)ccc2O)cc1OC ZINC000012525943 568842853 /nfs/dbraw/zinc/84/28/53/568842853.db2.gz FYAAETPXORZJGV-UHFFFAOYSA-N -1 0 416.477 1.461 50 0 HDAARM CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(CCOC)c3=O)CC1 ZINC000010274401 568883330 /nfs/dbraw/zinc/88/33/30/568883330.db2.gz VDSKRDZUARWCIV-UHFFFAOYSA-N -1 0 420.491 1.620 50 0 HDAARM COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000016625984 568930260 /nfs/dbraw/zinc/93/02/60/568930260.db2.gz GTOLKKDPIHCTBB-UHFFFAOYSA-N -1 0 404.872 1.292 50 0 HDAARM NS(=O)(=O)c1cccc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1 ZINC000084379880 568948462 /nfs/dbraw/zinc/94/84/62/568948462.db2.gz BHTFUXIPTZDJDG-UHFFFAOYSA-N -1 0 408.816 1.626 50 0 HDAARM O=C([O-])c1cc(N2CCN(CC(=O)N3CCCCC3)CC2)ccc1NC(=O)C1CC1 ZINC000035482695 569039598 /nfs/dbraw/zinc/03/95/98/569039598.db2.gz MJUHBXBTCZWEBM-UHFFFAOYSA-N -1 0 414.506 1.868 50 0 HDAARM COc1ccccc1[C@@H]1[NH2+][C@H](C(=O)[O-])[C@@H]2C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]12 ZINC000226934307 569039937 /nfs/dbraw/zinc/03/99/37/569039937.db2.gz QEDAEDLVVRNFCM-NCOADZHNSA-N -1 0 410.382 1.297 50 0 HDAARM CCCC(=O)Nc1ccc(N2CCN(CC(=O)N3CCOCC3)CC2)cc1C(=O)[O-] ZINC000064589375 569069008 /nfs/dbraw/zinc/06/90/08/569069008.db2.gz JLQGXIDHVANSCE-UHFFFAOYSA-N -1 0 418.494 1.104 50 0 HDAARM CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)[O-] ZINC000006719936 569097983 /nfs/dbraw/zinc/09/79/83/569097983.db2.gz XXSJQEAOAQQNCH-HNNXBMFYSA-N -1 0 400.522 1.410 50 0 HDAARM COc1cc(C(=O)NCC(=O)N/N=C/c2ccc(C(=O)[O-])cc2)cc(OC)c1OC ZINC000001955572 569150833 /nfs/dbraw/zinc/15/08/33/569150833.db2.gz UFYBNKZUGRCLQG-LSHDLFTRSA-N -1 0 415.402 1.291 50 0 HDAARM COc1cccc(-c2nc(COC(=O)CCn3[n-]c(=O)ccc3=O)cs2)c1OC ZINC000006979071 569192573 /nfs/dbraw/zinc/19/25/73/569192573.db2.gz VHMISEQQVZXVJK-UHFFFAOYSA-N -1 0 417.443 1.811 50 0 HDAARM Cc1ccccc1Cn1cc(C(=O)[O-])c(S(=O)(=O)N2CCN(C(C)C)CC2)n1 ZINC000065240438 569203779 /nfs/dbraw/zinc/20/37/79/569203779.db2.gz WGHMIOKAAXPKDR-UHFFFAOYSA-N -1 0 406.508 1.653 50 0 HDAARM CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCC(=O)NCC(=O)[O-])ccc12 ZINC000002100599 569281349 /nfs/dbraw/zinc/28/13/49/569281349.db2.gz SIYWRZLDBOEGTR-LBPRGKRZSA-N -1 0 404.419 1.138 50 0 biogenic HDAARM O=C(NC[C@@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000007728542 569303744 /nfs/dbraw/zinc/30/37/44/569303744.db2.gz ZSYUODCJOKKMGX-AWEZNQCLSA-N -1 0 415.471 1.891 50 0 HDAARM COc1ccc2c(c1)CCCN2C(=O)COC(=O)c1cc(=O)c2c(C)nn(C)c2[n-]1 ZINC000078999846 569423402 /nfs/dbraw/zinc/42/34/02/569423402.db2.gz FUFZYIFYPNDLAO-UHFFFAOYSA-N -1 0 410.430 1.715 50 0 HDAARM O=C([N-]N1S(=O)(=O)c2ccccc2S1(=O)=O)c1cc(-c2ccccc2)n[nH]1 ZINC000008662165 571099602 /nfs/dbraw/zinc/09/96/02/571099602.db2.gz HPWWYSAHJKLTQO-UHFFFAOYSA-N -1 0 404.429 1.115 50 0 HDAARM COc1ccc(CNC(=O)COC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1OC ZINC000008825364 571122034 /nfs/dbraw/zinc/12/20/34/571122034.db2.gz QFYUINXKHKPVLE-UHFFFAOYSA-N -1 0 422.459 1.549 50 0 HDAARM COc1cc2c(cc1OC)[C@@H](c1c(=O)[nH]c(=O)n(Cc3ccccc3)c1[O-])NCC2 ZINC000009170806 571233914 /nfs/dbraw/zinc/23/39/14/571233914.db2.gz WAJJGVUUBCYZCD-IBGZPJMESA-N -1 0 409.442 1.543 50 0 biogenic HDAARM COc1cc([C@H]2C/C(=C3\C(=O)[N-]C(=O)N(C4CCCCC4)C3=O)NN2)ccc1O ZINC000009419933 571256688 /nfs/dbraw/zinc/25/66/88/571256688.db2.gz ODPIMDHTOKOGGI-CLBVAXQTSA-N -1 0 400.435 1.605 50 0 HDAARM CS(=O)(=O)[N-]c1nc(CC(=O)NCCc2nc(-c3ccccc3)no2)cs1 ZINC000009421825 571257247 /nfs/dbraw/zinc/25/72/47/571257247.db2.gz LFCNVJFHZAYLRC-UHFFFAOYSA-N -1 0 407.477 1.466 50 0 HDAARM COc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2 ZINC000009675157 571278868 /nfs/dbraw/zinc/27/88/68/571278868.db2.gz QWTSRTRJIVRKTH-IAGOWNOFSA-N -1 0 415.356 1.905 50 0 HDAARM COCCn1nnn(-c2ccc([N-]S(=O)(=O)c3cc(C)ccc3OC)cc2)c1=O ZINC000077100155 571311227 /nfs/dbraw/zinc/31/12/27/571311227.db2.gz RHMNGKYWMQNHMV-UHFFFAOYSA-N -1 0 419.463 1.193 50 0 HDAARM C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(O)c3)cc2)C1=O ZINC000041182029 525165073 /nfs/dbraw/zinc/16/50/73/525165073.db2.gz NVWXNKMHKJRTMW-SNVBAGLBSA-N -1 0 404.400 1.655 50 0 HDAARM O=C([O-])c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1 ZINC000000969160 557127517 /nfs/dbraw/zinc/12/75/17/557127517.db2.gz FXSPDOUCUXSMCG-ZDUSSCGKSA-N -1 0 415.423 1.993 50 0 HDAARM NS(=O)(=O)c1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000003325315 557474250 /nfs/dbraw/zinc/47/42/50/557474250.db2.gz VFBBWVHYYRJPCK-UHFFFAOYSA-N -1 0 404.853 1.164 50 0 HDAARM C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)OCc1ccccc1 ZINC000004899697 557611239 /nfs/dbraw/zinc/61/12/39/557611239.db2.gz AMFJVLAANHASBK-DZGCQCFKSA-N -1 0 408.451 1.993 50 0 HDAARM Nc1nc(SCC(=O)NCc2ccco2)[n-]c(=O)c1NC(=O)c1cccs1 ZINC000002712465 557746041 /nfs/dbraw/zinc/74/60/41/557746041.db2.gz QBXVPUCXMHKRQJ-UHFFFAOYSA-N -1 0 405.461 1.667 50 0 HDAARM NS(=O)(=O)c1ccc(-n2c(Cn3ncc4ccccc4c3=O)n[n-]c2=S)cc1 ZINC000009111450 557824273 /nfs/dbraw/zinc/82/42/73/557824273.db2.gz IBMLYCNDTBZMQN-UHFFFAOYSA-N -1 0 414.472 1.335 50 0 HDAARM COc1ccc(N2C(=O)C[C@@H](N(Cc3ccco3)C(=O)CCC(=O)[O-])C2=O)cc1 ZINC000019771130 558279702 /nfs/dbraw/zinc/27/97/02/558279702.db2.gz IQIZAESOTIIRJD-MRXNPFEDSA-N -1 0 400.387 1.814 50 0 HDAARM O=C(CSc1nnc(Cc2cccs2)c(=O)[n-]1)NC(=O)NCc1ccccc1 ZINC000019897648 558304210 /nfs/dbraw/zinc/30/42/10/558304210.db2.gz PIOWQFCNFWKWBF-UHFFFAOYSA-N -1 0 415.500 1.935 50 0 HDAARM CCC(NCCCN1CCOCC1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000020290168 558353956 /nfs/dbraw/zinc/35/39/56/558353956.db2.gz SOLVUDMBJUNVRY-ISLYRVAYSA-N -1 0 400.479 1.241 50 0 HDAARM Cc1c(C(=O)[O-])sc2ncn(CC(=O)NC[C@@H]3COc4ccccc4O3)c(=O)c12 ZINC000013418286 558532070 /nfs/dbraw/zinc/53/20/70/558532070.db2.gz MMJHYOCJUZWLBK-LLVKDONJSA-N -1 0 415.427 1.421 50 0 HDAARM O=C1[N-]C(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N3CCc4ccccc4[C@@H]32)C(=O)N1 ZINC000017016282 558811848 /nfs/dbraw/zinc/81/18/48/558811848.db2.gz SRMYWBRABCNWLW-MRXNPFEDSA-N -1 0 415.409 1.547 50 0 HDAARM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cccc(C(=O)N2CCC[C@H](O)C2)c1 ZINC000058393148 558923705 /nfs/dbraw/zinc/92/37/05/558923705.db2.gz AHMHLSLKAQXTMT-AWEZNQCLSA-N -1 0 412.899 1.780 50 0 HDAARM COCCN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C ZINC000097017856 558988001 /nfs/dbraw/zinc/98/80/01/558988001.db2.gz BBOZENCOVKZCQP-UHFFFAOYSA-N -1 0 420.487 1.647 50 0 HDAARM Cc1nnc(-c2cc(S(=O)(=O)[N-]c3ccc(S(N)(=O)=O)cc3)c(C)n2C)o1 ZINC000033299162 559048358 /nfs/dbraw/zinc/04/83/58/559048358.db2.gz IWVPRMYSLBNFIV-UHFFFAOYSA-N -1 0 411.465 1.140 50 0 HDAARM COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)NCCC(=O)[O-] ZINC000004808629 559068582 /nfs/dbraw/zinc/06/85/82/559068582.db2.gz HYCNDASZAYLFFU-GDNBJRDFSA-N -1 0 412.398 1.786 50 0 HDAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1OC ZINC000100033327 559128899 /nfs/dbraw/zinc/12/88/99/559128899.db2.gz OHZJYHMGYVHMOK-QZTJIDSGSA-N -1 0 409.402 1.636 50 0 HDAARM C[C@H](Sc1nc(N)c(NC(=O)c2ccc(Br)o2)c(=O)[nH]1)C(=O)[O-] ZINC000005082429 559242837 /nfs/dbraw/zinc/24/28/37/559242837.db2.gz CNVVPDMPSZLZSK-BYPYZUCNSA-N -1 0 403.214 1.525 50 0 HDAARM COC(=O)C[C@@H](c1cnn(C)c1)c1c(=O)nc2ccc(Br)cn2c1[O-] ZINC000206053737 559247855 /nfs/dbraw/zinc/24/78/55/559247855.db2.gz CPSZSZPWUCLPBI-NSHDSACASA-N -1 0 407.224 1.591 50 0 HDAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011795984 559259781 /nfs/dbraw/zinc/25/97/81/559259781.db2.gz RDFCISVJLNEGCI-CQSZACIVSA-N -1 0 412.493 1.310 50 0 HDAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000011906358 559266616 /nfs/dbraw/zinc/26/66/16/559266616.db2.gz UDRBHGAYRZRSGR-UHFFFAOYSA-N -1 0 410.473 1.871 50 0 HDAARM COCCS(=O)(=O)Cc1cccc(S(=O)(=O)N2[C@H](C(=O)[O-])CCC2(C)C)c1 ZINC000252488013 559277484 /nfs/dbraw/zinc/27/74/84/559277484.db2.gz IGXQRPLBGKUGKG-HNNXBMFYSA-N -1 0 419.521 1.264 50 0 HDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)NC(=O)NCc1ccccc1 ZINC000005573599 560623289 /nfs/dbraw/zinc/62/32/89/560623289.db2.gz GIXRIKRIUMEBTB-UHFFFAOYSA-N -1 0 405.432 1.241 50 0 HDAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1 ZINC000101169034 560787640 /nfs/dbraw/zinc/78/76/40/560787640.db2.gz PDXLTVBMVKESBV-IAGOWNOFSA-N -1 0 415.356 1.905 50 0 HDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccccc4)c=3c2=O)cc1OC ZINC000101169920 560787835 /nfs/dbraw/zinc/78/78/35/560787835.db2.gz SHCQFVPVJYUYBJ-OALUTQOASA-N -1 0 423.429 1.313 50 0 HDAARM COC(=O)c1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2 ZINC000101218182 560790210 /nfs/dbraw/zinc/79/02/10/560790210.db2.gz VQLVVSSITWIBES-IRXDYDNUSA-N -1 0 407.386 1.405 50 0 HDAARM COc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccccc4OC)c3=O)=NN2)cc1O ZINC000101762832 560800891 /nfs/dbraw/zinc/80/08/91/560800891.db2.gz HDWSFSQGXUOMFS-GFCCVEGCSA-N -1 0 424.413 1.393 50 0 HDAARM COc1ccc(OC)c([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccccc4C)c3=O)=NN2)c1 ZINC000101762906 560800934 /nfs/dbraw/zinc/80/09/34/560800934.db2.gz ZQMLQZVVTWFPHX-HNNXBMFYSA-N -1 0 422.441 1.996 50 0 HDAARM Cc1cc(N2C(=O)C[C@@H](Sc3ccc(NC(=O)C=CC(=O)[O-])cc3)C2=O)no1 ZINC000113561425 568453070 /nfs/dbraw/zinc/45/30/70/568453070.db2.gz BTCNSAXDTKJXAZ-KTRBRXNASA-N -1 0 401.400 1.987 50 0 HDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000006937859 568464757 /nfs/dbraw/zinc/46/47/57/568464757.db2.gz GUDDLQUQZSKDTE-SFHVURJKSA-N -1 0 418.471 1.815 50 0 HDAARM Nn1c(=O)c(CCC(=O)[O-])nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000012347493 568493798 /nfs/dbraw/zinc/49/37/98/568493798.db2.gz XGJJMNQZBFEZIX-UHFFFAOYSA-N -1 0 418.262 1.407 50 0 HDAARM Cc1cccc(CN2CCN(C(=O)CC[C@@]3(CCC(=O)[O-])CCC(=O)N3)CC2)c1 ZINC000223678888 568555933 /nfs/dbraw/zinc/55/59/33/568555933.db2.gz PEKKCCJUWKSJTK-JOCHJYFZSA-N -1 0 401.507 1.933 50 0 HDAARM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(=O)[N-]OCc1ccccc1)[C@@H](O)C(C)C ZINC000601014190 568587319 /nfs/dbraw/zinc/58/73/19/568587319.db2.gz ATJWSVXXJYKXSU-QRVBRYPASA-N -1 0 407.511 1.287 50 0 HDAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000095471252 568626435 /nfs/dbraw/zinc/62/64/35/568626435.db2.gz XGOCHUKYYYWSHI-PKOBYXMFSA-N -1 0 416.499 1.899 50 0 HDAARM CN1CC[NH+]([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(Br)ccc23)CC1 ZINC000095481252 568633665 /nfs/dbraw/zinc/63/36/65/568633665.db2.gz QBRCHXLOHFSFNC-INIZCTEOSA-N -1 0 410.268 1.862 50 0 HDAARM CCCC[C@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000095969750 568671216 /nfs/dbraw/zinc/67/12/16/568671216.db2.gz MJKIAVDIURINTI-CQSZACIVSA-N -1 0 416.496 1.700 50 0 HDAARM C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@](C)(C(=O)[O-])C3CC3)c2)C[C@H](C)O1 ZINC000095989611 568677573 /nfs/dbraw/zinc/67/75/73/568677573.db2.gz HVERKECGXIJZEN-QUJCMNEKSA-N -1 0 410.492 1.468 50 0 HDAARM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)c1ccc(N2CCC(C)=N2)cc1 ZINC000096013382 568685384 /nfs/dbraw/zinc/68/53/84/568685384.db2.gz GMMOGZRAVGTIAH-UHFFFAOYSA-N -1 0 408.461 1.634 50 0 HDAARM Nc1[nH]c(=O)[nH]c(=O)c1-c1c(-c2ccc(Cl)c(Cl)c2)nc2[nH]c(=O)[nH]c([O-])c1-2 ZINC000012390145 568693560 /nfs/dbraw/zinc/69/35/60/568693560.db2.gz VVYLTLMGUKUSCB-UHFFFAOYSA-N -1 0 421.200 1.144 50 0 HDAARM COC(=O)C[C@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c([O-])nc2ccccn2c1=O ZINC000096114225 568693982 /nfs/dbraw/zinc/69/39/82/568693982.db2.gz ALSBMLAQJPQGSW-CQSZACIVSA-N -1 0 421.409 1.945 50 0 biogenic HDAARM COC(=O)C[C@@H](c1cc2ccccc2n(C)c1=O)c1c([O-])nc2ccccn2c1=O ZINC000096115556 568695153 /nfs/dbraw/zinc/69/51/53/568695153.db2.gz RGZINHJHSUBWNU-AWEZNQCLSA-N -1 0 405.410 1.947 50 0 biogenic HDAARM COC(=O)C[C@@H](c1cnn(C)c1)c1c([O-])nc2ccc(Br)cn2c1=O ZINC000096232558 568708264 /nfs/dbraw/zinc/70/82/64/568708264.db2.gz DLOYAMGJGOVFGK-NSHDSACASA-N -1 0 407.224 1.591 50 0 HDAARM COCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCN1CCCC1=O)c2=O ZINC000002970717 568831779 /nfs/dbraw/zinc/83/17/79/568831779.db2.gz ZZOOBZYFZJNQAB-UHFFFAOYSA-N -1 0 404.492 1.074 50 0 HDAARM COc1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)cn1 ZINC000031665953 568837455 /nfs/dbraw/zinc/83/74/55/568837455.db2.gz BGUJNMRSBSTKPM-UHFFFAOYSA-N -1 0 414.237 1.984 50 0 HDAARM Cc1cn2c(nc3c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n3C)n1CC(=O)[O-] ZINC000012575031 568862442 /nfs/dbraw/zinc/86/24/42/568862442.db2.gz BRYYGUAHLMGILG-UHFFFAOYSA-N -1 0 419.800 1.383 50 0 HDAARM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N(C)CC(=O)[O-])CC1 ZINC000004073151 568882437 /nfs/dbraw/zinc/88/24/37/568882437.db2.gz TVESNRDTDWEWKI-BBRMVZONSA-N -1 0 413.515 1.707 50 0 biogenic HDAARM COC(=O)c1sc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])c(C(=O)OC)c1C ZINC000003350677 568885735 /nfs/dbraw/zinc/88/57/35/568885735.db2.gz YIVHHQXOVFXCRY-SECBINFHSA-N -1 0 405.450 1.258 50 0 HDAARM COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)c(OC)c1 ZINC000245247528 569055337 /nfs/dbraw/zinc/05/53/37/569055337.db2.gz UXCKSMMVHXDPLO-XWSJACJDSA-N -1 0 410.426 1.916 50 0 HDAARM COc1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCN(C(C)=O)CC1)cn2CCC(=O)[O-] ZINC000036359299 569150628 /nfs/dbraw/zinc/15/06/28/569150628.db2.gz ROVMWVYHZHNEDL-IBGZPJMESA-N -1 0 403.435 1.414 50 0 HDAARM Cc1c(C)c(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](CCCNC(N)=O)C(=O)[O-])ccc12 ZINC000002096860 569281009 /nfs/dbraw/zinc/28/10/09/569281009.db2.gz ZEJIQJJUECOJAY-SWLSCSKDSA-N -1 0 419.434 1.195 50 0 biogenic HDAARM C[C@]12CC[C@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C(=O)[O-])[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 ZINC000253498221 569382066 /nfs/dbraw/zinc/38/20/66/569382066.db2.gz XJIILRFVONGQOG-CTRWLXTNSA-N -1 0 420.502 1.784 50 0 biogenic HDAARM COc1cc2c(cc1OC)[C@H](c1c([O-])nc3n(c1=O)CCCS3)N(C(C)=O)CC2 ZINC000012661382 569402559 /nfs/dbraw/zinc/40/25/59/569402559.db2.gz PSFJJPBTWNYZMO-QGZVFWFLSA-N -1 0 417.487 1.956 50 0 biogenic HDAARM NC(=O)c1ccc(S(N)(=O)=O)c([N-]S(=O)(=O)C2=Cc3ccccc3CC2)c1 ZINC000328593943 569415592 /nfs/dbraw/zinc/41/55/92/569415592.db2.gz CIURGKNBRLOJPU-UHFFFAOYSA-N -1 0 407.473 1.946 50 0 HDAARM C[C@H](O)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000008488909 571055903 /nfs/dbraw/zinc/05/59/03/571055903.db2.gz RRMAVULMYTWJOU-GOEBONIOSA-N -1 0 406.479 1.906 50 0 HDAARM COCCCN1C(=O)[N-]C(=O)C(=C2C[C@@H](c3cc(OC)ccc3OC)NN2)C1=O ZINC000008766929 571115639 /nfs/dbraw/zinc/11/56/39/571115639.db2.gz DJKKGSRWMXZWMV-YXNALHSASA-N -1 0 404.423 1.452 50 0 HDAARM O=C(CCN1C(=O)CNC1=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000040139089 571188915 /nfs/dbraw/zinc/18/89/15/571188915.db2.gz QIGOTQSCPUOHFK-UHFFFAOYSA-N -1 0 420.422 1.507 50 0 HDAARM COc1ccc([C@H]2CC(=C3C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)NN2)cc1O ZINC000009044019 571215386 /nfs/dbraw/zinc/21/53/86/571215386.db2.gz ATNNPWZVIBZFLN-QFVIEVDGSA-N -1 0 408.414 1.677 50 0 HDAARM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O ZINC000009046161 571215646 /nfs/dbraw/zinc/21/56/46/571215646.db2.gz OWTFPWHQKXEPHT-KRWDZBQOSA-N -1 0 411.414 1.400 50 0 biogenic HDAARM O=C(CSc1nc2c(-c3ccc(F)cc3)c[n-]n2c(=O)n1)NC[C@H]1CCCO1 ZINC000009106738 571221922 /nfs/dbraw/zinc/22/19/22/571221922.db2.gz GARVBVVVDXNAJX-CYBMUJFWSA-N -1 0 403.439 1.611 50 0 HDAARM O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2 ZINC000069510731 571228757 /nfs/dbraw/zinc/22/87/57/571228757.db2.gz UQLBNHGFTJXRJH-AWEZNQCLSA-N -1 0 424.486 1.638 50 0 HDAARM COc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(Br)c2)cc1OC ZINC000069596682 571232536 /nfs/dbraw/zinc/23/25/36/571232536.db2.gz VNDUSYPFJDFWMS-UHFFFAOYSA-N -1 0 401.238 1.980 50 0 HDAARM O=C([O-])CN1C(=O)C[C@]2(CSc3[nH]c(=O)sc3[C@H]2c2ccccc2O)C1=O ZINC000010386597 571301729 /nfs/dbraw/zinc/30/17/29/571301729.db2.gz CLKLGAJHUGAEQO-SJKOYZFVSA-N -1 0 406.441 1.210 50 0 HDAARM NC(=S)N1CCN(c2c(F)c(N)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)CC1 ZINC000002297705 132251982 /nfs/dbraw/zinc/25/19/82/132251982.db2.gz DGSZJYDLVYMVKE-UHFFFAOYSA-N -1 0 423.445 1.261 50 0 HDAARM CCCCc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(=O)[O-])c(=O)n2C)cc1 ZINC000004370753 132276070 /nfs/dbraw/zinc/27/60/70/132276070.db2.gz QTPUJYFTSDCOFB-UHFFFAOYSA-N -1 0 411.462 1.866 50 0 HDAARM Cn1c(C(=O)[O-])ccc1S(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000006156825 132309439 /nfs/dbraw/zinc/30/94/39/132309439.db2.gz NOONNDNXIWBFBS-UHFFFAOYSA-N -1 0 418.397 1.648 50 0 HDAARM CCN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC)n(C)c2)cc1 ZINC000032088527 520501444 /nfs/dbraw/zinc/50/14/44/520501444.db2.gz DGUVTQYRPGWPCZ-UHFFFAOYSA-N -1 0 406.508 1.596 50 0 HDAARM O=C([O-])CNC(=O)CNC(=O)CCn1ccc2cc(OCc3ccccc3)ccc21 ZINC000040312977 527610863 /nfs/dbraw/zinc/61/08/63/527610863.db2.gz MSCBJMFWCCFXAJ-UHFFFAOYSA-N -1 0 409.442 1.927 50 0 biogenic HDAARM CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000012889861 535704732 /nfs/dbraw/zinc/70/47/32/535704732.db2.gz PPCXCRNXNWQRBJ-JLZZUVOBSA-N -1 0 404.467 1.795 50 0 biogenic HDAARM CN1CCN(C(=O)c2nc3n(n2)-c2ccccc2S(=O)(=O)[N-]3)[C@H](c2ccccc2)C1 ZINC000071890340 557314641 /nfs/dbraw/zinc/31/46/41/557314641.db2.gz DENIEGXIZCYOIR-INIZCTEOSA-N -1 0 424.486 1.510 50 0 HDAARM Cc1cc(CNC(=S)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)nn1C ZINC000002853022 557405763 /nfs/dbraw/zinc/40/57/63/557405763.db2.gz ASDYUDQGRGRIEH-UHFFFAOYSA-N -1 0 417.520 1.806 50 0 HDAARM COC(=O)c1ccccc1NC(=O)CSc1nnnn1-c1cccc(C(=O)[O-])c1 ZINC000002867281 557412790 /nfs/dbraw/zinc/41/27/90/557412790.db2.gz CHJZDMGDQRHNLU-UHFFFAOYSA-N -1 0 413.415 1.878 50 0 HDAARM COCCNC(=O)CCc1nnc(-c2ccc(OCC(C)C)c(OC)c2)[n-]c1=O ZINC000034767251 557462461 /nfs/dbraw/zinc/46/24/61/557462461.db2.gz HIINZEGEIKJYGE-UHFFFAOYSA-N -1 0 404.467 1.983 50 0 HDAARM O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000004776570 557596944 /nfs/dbraw/zinc/59/69/44/557596944.db2.gz MFTCQKCUPVUQRX-UHFFFAOYSA-N -1 0 417.443 1.429 50 0 HDAARM O=C([O-])c1cccc(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000006668695 557713347 /nfs/dbraw/zinc/71/33/47/557713347.db2.gz AGHVQUTWDXSOCF-UHFFFAOYSA-N -1 0 404.444 1.869 50 0 HDAARM Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])CC2)c1 ZINC000006741132 557718469 /nfs/dbraw/zinc/71/84/69/557718469.db2.gz CULVBXDNGNCMOW-SJORKVTESA-N -1 0 406.504 1.803 50 0 HDAARM COCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000003043781 557787014 /nfs/dbraw/zinc/78/70/14/557787014.db2.gz IUGRVIYRVUWGHU-UHFFFAOYSA-N -1 0 413.455 1.838 50 0 HDAARM Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)[O-] ZINC000009212279 557829622 /nfs/dbraw/zinc/82/96/22/557829622.db2.gz UWYHMGVUTGAWSP-KEYYUXOJSA-N -1 0 401.444 1.895 50 0 biogenic,investigational HDAARM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(C)(=O)=O)CC3)c(OC)c1 ZINC000019819435 558289707 /nfs/dbraw/zinc/28/97/07/558289707.db2.gz NJMIWOAZQAJMAW-UHFFFAOYSA-N -1 0 412.489 1.827 50 0 HDAARM CCCOC(=O)CCC(=O)NC(=S)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1 ZINC000012293896 558367327 /nfs/dbraw/zinc/36/73/27/558367327.db2.gz TZGFEEBNIKNHFR-UHFFFAOYSA-N -1 0 415.493 1.058 50 0 HDAARM C[C@@H]1C[C@H](C)CN(C(=O)CNC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1 ZINC000013237450 558527721 /nfs/dbraw/zinc/52/77/21/558527721.db2.gz NEAUVMOLOPUPEH-IYOUNJFTSA-N -1 0 400.479 1.967 50 0 HDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)C[C@H](C)c3ccccc3)[C@@H]2SC1 ZINC000013959951 558608373 /nfs/dbraw/zinc/60/83/73/558608373.db2.gz NFWOAGOKRSGCBI-UTLVKMTRSA-N -1 0 418.471 1.482 50 0 HDAARM CCc1nnc([N-]C(=O)c2nc(S(=O)(=O)CC)ncc2Br)s1 ZINC000027748960 558681887 /nfs/dbraw/zinc/68/18/87/558681887.db2.gz ATEZXIIXOMWQHM-UHFFFAOYSA-N -1 0 406.287 1.699 50 0 HDAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@H](Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 ZINC000002989271 558780124 /nfs/dbraw/zinc/78/01/24/558780124.db2.gz VKWBFVCJTYULKJ-IRXDYDNUSA-N -1 0 410.426 1.832 50 0 HDAARM O=C([O-])c1cc(-n2ccnc2-c2ccccn2)cc(S(=O)(=O)N2CCOCC2)c1 ZINC000071771066 558911303 /nfs/dbraw/zinc/91/13/03/558911303.db2.gz VKVSNCZBIFNYMV-UHFFFAOYSA-N -1 0 414.443 1.653 50 0 HDAARM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cccc(C(=O)N2CCC[C@@H](O)C2)c1 ZINC000058393150 558923775 /nfs/dbraw/zinc/92/37/75/558923775.db2.gz AHMHLSLKAQXTMT-CQSZACIVSA-N -1 0 412.899 1.780 50 0 HDAARM CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc(-n3cnc4ccccc43)c2)CC1 ZINC000072140476 558929220 /nfs/dbraw/zinc/92/92/20/558929220.db2.gz KTZZMUROBXLKJO-UHFFFAOYSA-N -1 0 400.460 1.660 50 0 HDAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)NC[C@@H]2CCCO2)CC4)cc1 ZINC000097096667 558992218 /nfs/dbraw/zinc/99/22/18/558992218.db2.gz SZDWHWDWUZHIED-INIZCTEOSA-N -1 0 423.473 1.945 50 0 HDAARM O=C(c1c[nH]c(=O)cn1)N1CCc2cc(S(=O)(=O)[N-]c3cccnc3)ccc2C1 ZINC000077356352 559002369 /nfs/dbraw/zinc/00/23/69/559002369.db2.gz FVACFUGDFDMYCE-UHFFFAOYSA-N -1 0 411.443 1.164 50 0 HDAARM O=C(c1ccc(=O)[nH]c1)N1CCc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2C1 ZINC000077406552 559003943 /nfs/dbraw/zinc/00/39/43/559003943.db2.gz AXGQFYDJELYDBF-UHFFFAOYSA-N -1 0 410.455 1.769 50 0 HDAARM CC[C@H](Sc1nc(-c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000004960352 559216963 /nfs/dbraw/zinc/21/69/63/559216963.db2.gz VIDFOAUYKYKLDX-LBPRGKRZSA-N -1 0 416.459 1.658 50 0 HDAARM COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000011978239 559269568 /nfs/dbraw/zinc/26/95/68/559269568.db2.gz JPOVDUVVUYBYQR-UHFFFAOYSA-N -1 0 414.436 1.702 50 0 HDAARM CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(C)C)C(=O)[O-] ZINC000005321717 560568290 /nfs/dbraw/zinc/56/82/90/560568290.db2.gz CZYUBIYYIFUJPO-BVGQSLNGSA-N -1 0 421.469 1.545 50 0 HDAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc[nH]n3)cc2)n1 ZINC000018084780 560774971 /nfs/dbraw/zinc/77/49/71/560774971.db2.gz DKNCXSNWEAZAQL-UHFFFAOYSA-N -1 0 419.492 1.743 50 0 HDAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3cccc(Br)c3)c(=O)c1-2 ZINC000101135867 560788436 /nfs/dbraw/zinc/78/84/36/560788436.db2.gz KSKCWDFGQHXTPN-WCQYABFASA-N -1 0 408.208 1.088 50 0 HDAARM COc1cc([C@H]2CC(c3c([O-])n(Cc4ccccc4)c(=O)[nH]c3=O)=NN2)ccc1O ZINC000101762375 560800490 /nfs/dbraw/zinc/80/04/90/560800490.db2.gz MMXUYRYERHCGGQ-CQSZACIVSA-N -1 0 408.414 1.443 50 0 HDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(OC)c4)c=3c2=O)cc1 ZINC000101165940 560851102 /nfs/dbraw/zinc/85/11/02/560851102.db2.gz GMMZNXWIXIREMT-ZWKOTPCHSA-N -1 0 409.402 1.636 50 0 HDAARM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000048677703 568443291 /nfs/dbraw/zinc/44/32/91/568443291.db2.gz DUHODWKCLMVCKO-UHFFFAOYSA-N -1 0 403.382 1.360 50 0 HDAARM CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1[n-]c(=O)nc2nc[nH]c21 ZINC000014919991 568455498 /nfs/dbraw/zinc/45/54/98/568455498.db2.gz BBYGMCXHNNWAMQ-UHFFFAOYSA-N -1 0 420.451 1.673 50 0 HDAARM CN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2)CC1 ZINC000000816569 568495387 /nfs/dbraw/zinc/49/53/87/568495387.db2.gz NXQWCZDTTZJRQY-DLBZAZTESA-N -1 0 409.508 1.452 50 0 HDAARM COc1cccc(N2CCN(C(=O)CC[C@@]3(CCC(=O)[O-])CCC(=O)N3)CC2)c1 ZINC000222401323 568515279 /nfs/dbraw/zinc/51/52/79/568515279.db2.gz GBQSRQKGXAJKGP-OAQYLSRUSA-N -1 0 403.479 1.638 50 0 HDAARM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(=O)[N-]OCc1ccccc1)[C@H](O)C(C)C ZINC000601014188 568587471 /nfs/dbraw/zinc/58/74/71/568587471.db2.gz ATJWSVXXJYKXSU-GUDVDZBRSA-N -1 0 407.511 1.287 50 0 HDAARM CS(=O)(=O)c1cccc(OCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000095424428 568607630 /nfs/dbraw/zinc/60/76/30/568607630.db2.gz UKTJMNKLFQNKCQ-GOSISDBHSA-N -1 0 416.455 1.762 50 0 HDAARM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2nc3ccc(Br)cn3n2)s1 ZINC000225400906 568634290 /nfs/dbraw/zinc/63/42/90/568634290.db2.gz DJFDDHPMEFUCOA-UHFFFAOYSA-N -1 0 417.270 1.708 50 0 HDAARM COc1ccc(S(=O)(=O)[N-]c2c(C)nc(N3CCOCC3)nc2C)cc1OC ZINC000096098625 568689909 /nfs/dbraw/zinc/68/99/09/568689909.db2.gz YXNQFDQRQKROSX-UHFFFAOYSA-N -1 0 408.480 1.748 50 0 HDAARM COC(=O)C[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c([O-])nc2ccccn2c1=O ZINC000096114226 568693899 /nfs/dbraw/zinc/69/38/99/568693899.db2.gz ALSBMLAQJPQGSW-AWEZNQCLSA-N -1 0 421.409 1.945 50 0 biogenic HDAARM CCn1ncc(Br)c1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@H]12 ZINC000002747682 568806319 /nfs/dbraw/zinc/80/63/19/568806319.db2.gz QHYWBFAZHAEHPX-ISVAXAHUSA-N -1 0 415.269 1.038 50 0 HDAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3c(Cl)cnn3C)cc2)ncn1 ZINC000002765938 568807452 /nfs/dbraw/zinc/80/74/52/568807452.db2.gz JCRSROCDMQNVGS-UHFFFAOYSA-N -1 0 422.854 1.925 50 0 HDAARM CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)c1 ZINC000057279449 568825750 /nfs/dbraw/zinc/82/57/50/568825750.db2.gz KLOBMRRVEPAFAD-UHFFFAOYSA-N -1 0 402.436 1.268 50 0 HDAARM COc1ccc(OC)c2c1cc(C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)n2C ZINC000004000361 568932321 /nfs/dbraw/zinc/93/23/21/568932321.db2.gz CLJRXROWQGZEGK-ZBEGNZNMSA-N -1 0 405.451 1.539 50 0 biogenic HDAARM CC(=O)N1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000006055571 568988875 /nfs/dbraw/zinc/98/88/75/568988875.db2.gz KKTBRMZTIKUVBP-UHFFFAOYSA-N -1 0 405.451 1.931 50 0 HDAARM CCc1nc(Cn2c3ccc(S(=O)(=O)[N-]c4cccnc4)cc3oc2=O)no1 ZINC000064946873 569128506 /nfs/dbraw/zinc/12/85/06/569128506.db2.gz SIBOQIIOCKCUGE-UHFFFAOYSA-N -1 0 401.404 1.784 50 0 HDAARM COc1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN(C(C)=O)CC1)cn2CCC(=O)[O-] ZINC000036359300 569150650 /nfs/dbraw/zinc/15/06/50/569150650.db2.gz ROVMWVYHZHNEDL-LJQANCHMSA-N -1 0 403.435 1.414 50 0 HDAARM CCN1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)/C=C/C(=O)[O-])cc32)CC1 ZINC000036359555 569151586 /nfs/dbraw/zinc/15/15/86/569151586.db2.gz LDPNYSRTWGLLSI-ZMBJWTFHSA-N -1 0 400.435 1.510 50 0 HDAARM CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])N1CCN(S(C)(=O)=O)CC1 ZINC000036360666 569152007 /nfs/dbraw/zinc/15/20/07/569152007.db2.gz SBNNBKAHKMJVMA-KRWDZBQOSA-N -1 0 422.507 1.465 50 0 HDAARM Cc1c(C)[n+]([O-])c([C@H](c2ccc(F)c(F)c2)c2c([O-])n(C)c(=O)n(C)c2=O)n1C ZINC000524734520 569213667 /nfs/dbraw/zinc/21/36/67/569213667.db2.gz NGCAHKZZKIOMGP-CQSZACIVSA-N -1 0 406.389 1.352 50 0 HDAARM CCOc1ccccc1C(=O)NCC(=O)OCC(=O)[N-]C(=O)c1ccccc1OC ZINC000007563488 569250695 /nfs/dbraw/zinc/25/06/95/569250695.db2.gz GGLCOIGVRVPZFC-UHFFFAOYSA-N -1 0 414.414 1.324 50 0 HDAARM COC(=O)c1sccc1S(=O)(=O)NCC1CCN(c2ncc(F)cn2)CC1 ZINC000252479582 569288830 /nfs/dbraw/zinc/28/88/30/569288830.db2.gz BHYXUPQCCOMFHA-UHFFFAOYSA-N -1 0 414.484 1.659 50 0 HDAARM COc1ccccc1C1(C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)[O-])CCC1 ZINC000005304791 569356887 /nfs/dbraw/zinc/35/68/87/569356887.db2.gz DQPBSWULMWYIDY-IIAWOOMASA-N -1 0 404.488 1.749 50 0 biogenic HDAARM COc1ccc([C@H](CC(=O)NCCO)c2c([O-])cc(C)oc2=O)c(OC)c1OC ZINC000253414056 569366912 /nfs/dbraw/zinc/36/69/12/569366912.db2.gz WIHWITFYEPQNPV-ZDUSSCGKSA-N -1 0 407.419 1.310 50 0 biogenic HDAARM Cc1cc([O-])c([C@H](CC(=O)NCCc2c[nH]cn2)c2ccc3c(c2)OCO3)c(=O)o1 ZINC000253470521 569381026 /nfs/dbraw/zinc/38/10/26/569381026.db2.gz BAGFKDJVHQFKGM-OAHLLOKOSA-N -1 0 411.414 1.987 50 0 HDAARM C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCc2nc([N-]S(C)(=O)=O)sc2C1 ZINC000328592202 569415257 /nfs/dbraw/zinc/41/52/57/569415257.db2.gz MIPJVWGRWNQLKN-NWDGAFQWSA-N -1 0 403.526 1.374 50 0 HDAARM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)n1 ZINC000079045868 569425124 /nfs/dbraw/zinc/42/51/24/569425124.db2.gz UDKXQPMJZJZFCA-UHFFFAOYSA-N -1 0 415.469 1.406 50 0 HDAARM CCOC(=O)[C@H](C)Sc1nc(N)c(NC(=O)c2ccc(OC)c(OC)c2)c(=O)[n-]1 ZINC000008584034 571083176 /nfs/dbraw/zinc/08/31/76/571083176.db2.gz QPCKOZBLZNBWDK-VIFPVBQESA-N -1 0 422.463 1.665 50 0 HDAARM CCOC(=O)[C@@H](C)Sc1nc(N)c(NC(=O)c2ccc(OC)c(OC)c2)c(=O)[n-]1 ZINC000008584033 571083236 /nfs/dbraw/zinc/08/32/36/571083236.db2.gz QPCKOZBLZNBWDK-SECBINFHSA-N -1 0 422.463 1.665 50 0 HDAARM C[C@H](OC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C(=O)Nc1ccc(F)c(F)c1F ZINC000009032620 571212652 /nfs/dbraw/zinc/21/26/52/571212652.db2.gz CYPAVDVSIOTBPS-VIFPVBQESA-N -1 0 421.331 1.678 50 0 HDAARM COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1cccs1 ZINC000009403036 571255032 /nfs/dbraw/zinc/25/50/32/571255032.db2.gz AQSZMCOVYCXDGX-UHFFFAOYSA-N -1 0 418.518 1.578 50 0 HDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4)c=3c2=O)cc1OC ZINC000009675529 571278961 /nfs/dbraw/zinc/27/89/61/571278961.db2.gz JOYZTHOBGDIBRO-MOPGFXCFSA-N -1 0 423.429 1.944 50 0 HDAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cc(=O)n5ccccc5n4)c=3c2=O)cc1 ZINC000009837400 571287972 /nfs/dbraw/zinc/28/79/72/571287972.db2.gz DSOGYGLHIBWSEE-RTBURBONSA-N -1 0 418.413 1.587 50 0 HDAARM CC(C)c1sc(NC(=O)CCC(=O)Nc2ccc(C(N)=O)cc2)nc1C(=O)[O-] ZINC000095479482 571306698 /nfs/dbraw/zinc/30/66/98/571306698.db2.gz PKNXZPDTDGTABM-UHFFFAOYSA-N -1 0 404.448 2.421 50 0 HDAARM CCc1nc(Cn2c3ccc(S(=O)(=O)[N-]c4cccc(C)n4)cc3oc2=O)no1 ZINC000064946872 571309900 /nfs/dbraw/zinc/30/99/00/571309900.db2.gz RCPJUFOFPXOUIB-UHFFFAOYSA-N -1 0 415.431 2.092 50 0 HDAARM Nc1nc([N-][C@@H](O)C(Cl)(Cl)Cl)[nH+]c([N-][C@@H](O)C(Cl)(Cl)Cl)n1 ZINC000025666830 571315559 /nfs/dbraw/zinc/31/55/59/571315559.db2.gz KSWAAUWXVSYKCI-LWMBPPNESA-N -1 0 420.899 1.655 50 0 HDAARM CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2nccnc2C(=O)[O-])c1 ZINC000004307552 132274784 /nfs/dbraw/zinc/27/47/84/132274784.db2.gz DFGFVWJARSYIBE-UHFFFAOYSA-N -1 0 400.391 1.440 50 0 HDAARM COC(=O)c1cc(Br)ccc1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000032765613 521796685 /nfs/dbraw/zinc/79/66/85/521796685.db2.gz CAAXOYQZSDKRPC-UHFFFAOYSA-N -1 0 416.253 1.474 50 0 HDAARM NC(=O)c1c(SCC(=O)NCCc2ccccc2)sc2c1[nH]c(=O)cc2[O-] ZINC000040266266 527020182 /nfs/dbraw/zinc/02/01/82/527020182.db2.gz GIDLQNSLTGZJKB-UHFFFAOYSA-N -1 0 403.485 1.845 50 0 HDAARM Cn1c(=O)oc2cc(S(=O)(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])ccc21 ZINC000041091474 527039378 /nfs/dbraw/zinc/03/93/78/527039378.db2.gz PJBMJYQOPKSMHZ-HNNXBMFYSA-N -1 0 415.427 1.587 50 0 HDAARM CCOC(=O)[C@]([N-]c1ncccn1)(NS(=O)(=O)c1ccccc1)C(F)(F)F ZINC000002050604 557300912 /nfs/dbraw/zinc/30/09/12/557300912.db2.gz POHDILHXMPSPMF-AWEZNQCLSA-N -1 0 404.370 1.689 50 0 HDAARM COc1ccc(-c2nnc(CCC(=O)NCCc3ccccn3)c(=O)[n-]2)cc1OC ZINC000034766102 557462148 /nfs/dbraw/zinc/46/21/48/557462148.db2.gz NHXCVSLVICYKOO-UHFFFAOYSA-N -1 0 409.446 1.948 50 0 HDAARM CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)[O-])N2C1=O ZINC000003781951 557498569 /nfs/dbraw/zinc/49/85/69/557498569.db2.gz HHHKFGXWKKUNCY-FHWLQOOXSA-N -1 0 417.506 1.596 50 0 world HDAARM O=C1N[C@H](c2ccc3c(c2)OCO3)C(=C([O-])c2cccnc2)[C@@](O)(C(F)(F)F)N1 ZINC000004269939 557534032 /nfs/dbraw/zinc/53/40/32/557534032.db2.gz NGXKDHNDHYWXGJ-CKEIUWERSA-N -1 0 409.320 1.914 50 0 HDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000006645551 557711894 /nfs/dbraw/zinc/71/18/94/557711894.db2.gz XGOCHUKYYYWSHI-HKUYNNGSSA-N -1 0 416.499 1.899 50 0 HDAARM CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])ccc21 ZINC000006948291 557731242 /nfs/dbraw/zinc/73/12/42/557731242.db2.gz VKDQMSHHBMZKQV-KRWDZBQOSA-N -1 0 402.472 1.960 50 0 HDAARM COc1cc2[n-]c(=S)n(Cc3ccc(S(N)(=O)=O)cc3)c(=O)c2cc1OC ZINC000009348033 557838327 /nfs/dbraw/zinc/83/83/27/557838327.db2.gz APRGRGJVRLNNAU-UHFFFAOYSA-N -1 0 407.473 1.772 50 0 HDAARM O=C([O-])c1ccccc1C(=O)Nc1nnc(SCC(=O)N2CCOCC2)s1 ZINC000009969679 557852603 /nfs/dbraw/zinc/85/26/03/557852603.db2.gz IYJKZAOXKHTYKA-UHFFFAOYSA-N -1 0 408.461 1.440 50 0 HDAARM O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000020723989 558404089 /nfs/dbraw/zinc/40/40/89/558404089.db2.gz ZBGDBCYWHSZDLF-DYVFJYSZSA-N -1 0 411.911 1.752 50 0 HDAARM Cc1cc2c(cc1S(=O)(=O)NCCOc1cccc(C(=O)[O-])c1)OCC(=O)N2 ZINC000015108352 558723485 /nfs/dbraw/zinc/72/34/85/558723485.db2.gz ZQFRZPFVIALKSK-UHFFFAOYSA-N -1 0 406.416 1.381 50 0 HDAARM C[C@@]1([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)CCS(=O)(=O)C1 ZINC000033047838 558883637 /nfs/dbraw/zinc/88/36/37/558883637.db2.gz NIIDEHDUWSRNEA-LLVKDONJSA-N -1 0 404.254 1.583 50 0 HDAARM Cn1c2ccc(S(=O)(=O)N3CCCc4cc(C(=O)[O-])ccc43)cc2n(C)c1=O ZINC000058305179 558917950 /nfs/dbraw/zinc/91/79/50/558917950.db2.gz KGSDRZIKEHZAFT-UHFFFAOYSA-N -1 0 401.444 1.717 50 0 HDAARM COc1ccc(CCn2nc(C(=O)[O-])c3c2CCN(C(=O)c2ccnn2C)C3)cc1 ZINC000067446646 558986594 /nfs/dbraw/zinc/98/65/94/558986594.db2.gz QAPHRFIUMTZGDP-UHFFFAOYSA-N -1 0 409.446 1.765 50 0 HDAARM CCCN1C(=O)/C(=C\C=C2/Oc3ccccc3N2CCC(=O)[O-])N(CCO)C1=S ZINC000004774860 559058424 /nfs/dbraw/zinc/05/84/24/559058424.db2.gz MLOUQZCXEHRJSD-FKYNTUOXSA-N -1 0 417.487 1.917 50 0 HDAARM CCc1n[nH]c2c1CN(c1ncc(C(C)(C)C(=O)[O-])c(N3CCOCC3)n1)CC2 ZINC000096131308 559095546 /nfs/dbraw/zinc/09/55/46/559095546.db2.gz UYOWPKCPNDTNNL-UHFFFAOYSA-N -1 0 400.483 1.524 50 0 HDAARM CCC[C@H](C(=O)NN=c1nc(OC)cc[nH]1)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072308056 559163321 /nfs/dbraw/zinc/16/33/21/559163321.db2.gz QYKBVHRBZMDPNM-CQSZACIVSA-N -1 0 408.503 1.650 50 0 HDAARM COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(=O)nc2ccccn2c1[O-] ZINC000205976675 559198191 /nfs/dbraw/zinc/19/81/91/559198191.db2.gz WZGJBFGHLVAUHG-CYBMUJFWSA-N -1 0 408.414 1.286 50 0 HDAARM CS(=O)(=O)C1=C([O-])C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@H]1c1ccccc1 ZINC000033711425 559234843 /nfs/dbraw/zinc/23/48/43/559234843.db2.gz WLDFJNPIHXUTMF-AWEZNQCLSA-N -1 0 408.457 1.236 50 0 HDAARM Cc1ccc(C(=O)Nc2c(N)nc(SCC(=O)NC[C@H]3CCCO3)[n-]c2=O)cc1 ZINC000005081760 559242688 /nfs/dbraw/zinc/24/26/88/559242688.db2.gz BMQRKTFMHRWIKW-CYBMUJFWSA-N -1 0 417.491 1.300 50 0 HDAARM COC(=O)c1[n-]n(C(C)(C)CC(C)=O)c2c(O)n(-c3ccc(OC)cc3)c(=O)c1-2 ZINC000100772900 559265235 /nfs/dbraw/zinc/26/52/35/559265235.db2.gz XFNVKIHFBGLOSW-ZBFHGGJFSA-N -1 0 401.419 1.156 50 0 HDAARM Cc1nc(S(=O)(=O)[N-]c2ccccc2S(C)(=O)=O)c(Br)n1C ZINC000319129890 560707031 /nfs/dbraw/zinc/70/70/31/560707031.db2.gz WBBDVQXRKMTSES-UHFFFAOYSA-N -1 0 408.299 1.695 50 0 HDAARM COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccccc4OC)c3=O)=NN2)cc1O ZINC000101762829 560800944 /nfs/dbraw/zinc/80/09/44/560800944.db2.gz HDWSFSQGXUOMFS-LBPRGKRZSA-N -1 0 424.413 1.393 50 0 HDAARM O=C([N-]c1nnc(-c2ccco2)s1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000048333225 568439423 /nfs/dbraw/zinc/43/94/23/568439423.db2.gz BTFDYBNKXKKJDF-UHFFFAOYSA-N -1 0 410.433 1.664 50 0 HDAARM NC(=O)NCCC[C@H](NC(=O)Cn1ccc2cc(Br)ccc21)C(=O)[O-] ZINC000012297125 568463047 /nfs/dbraw/zinc/46/30/47/568463047.db2.gz ZDJKLBQVTJMZMS-LBPRGKRZSA-N -1 0 411.256 1.422 50 0 biogenic HDAARM O=C([O-])CC[C@]1(CCC(=O)N2CCCN(Cc3ccccn3)CC2)CCC(=O)N1 ZINC000220249697 568503917 /nfs/dbraw/zinc/50/39/17/568503917.db2.gz IDYOBIDEMCLIRX-OAQYLSRUSA-N -1 0 402.495 1.410 50 0 HDAARM CS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc(C(=O)NCC(=O)[O-])c3)ccc21 ZINC000095389899 568603896 /nfs/dbraw/zinc/60/38/96/568603896.db2.gz SQTHSIDLBOOUGK-UHFFFAOYSA-N -1 0 417.443 1.075 50 0 HDAARM O=C([O-])c1cccc(CNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)c1 ZINC000095425096 568607812 /nfs/dbraw/zinc/60/78/12/568607812.db2.gz PKCWRGMSXQLCBR-UHFFFAOYSA-N -1 0 410.473 1.397 50 0 HDAARM COc1ccc(-c2nn3c(nc2=O)-c2ccccc2N2C(=O)CC[C@@]23C(=O)[O-])cc1 ZINC000095469606 568625843 /nfs/dbraw/zinc/62/58/43/568625843.db2.gz PQBLDYGOLRGGCB-OAQYLSRUSA-N -1 0 404.382 1.859 50 0 HDAARM C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N(CC(=O)[O-])C[C@H]1CCCO1 ZINC000095970205 568671274 /nfs/dbraw/zinc/67/12/74/568671274.db2.gz NFIBPFCDLZFDHF-VHSXEESVSA-N -1 0 419.297 1.721 50 0 HDAARM COC(=O)C[C@H](c1cc2ccccc2[nH]c1=O)c1c(O)cc(C)n(CC(=O)[O-])c1=O ZINC000096221258 568704960 /nfs/dbraw/zinc/70/49/60/568704960.db2.gz UYDKXOICIMKWOH-CYBMUJFWSA-N -1 0 412.398 1.483 50 0 biogenic HDAARM O=C(c1ccc2c(c1)[n-]c(=S)n(CCCN1CCCC1=O)c2=O)N1CCOCC1 ZINC000002970718 568831788 /nfs/dbraw/zinc/83/17/88/568831788.db2.gz SBIKPKHNRAJRCK-UHFFFAOYSA-N -1 0 416.503 1.170 50 0 HDAARM Cn1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)n1 ZINC000012526234 568843019 /nfs/dbraw/zinc/84/30/19/568843019.db2.gz RSLWCMXSUCBWOA-UHFFFAOYSA-N -1 0 412.431 1.643 50 0 HDAARM CC(=O)N1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)CCC(=O)[O-])ccc32)CC1 ZINC000031818205 568932659 /nfs/dbraw/zinc/93/26/59/568932659.db2.gz HWQUGQQQVBDTCE-IBGZPJMESA-N -1 0 416.434 1.261 50 0 HDAARM Cn1c(Cn2c3c(c(=O)n(C4CCCCC4)c2=O)CCC3)nnc1SCC(=O)[O-] ZINC000035682647 569048984 /nfs/dbraw/zinc/04/89/84/569048984.db2.gz RSNHDCBKONDLSU-UHFFFAOYSA-N -1 0 419.507 1.357 50 0 HDAARM CC[C@@H](Sc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1)C(=O)[O-] ZINC000001797225 569053258 /nfs/dbraw/zinc/05/32/58/569053258.db2.gz BIIQPBVHWAFXCR-CYBMUJFWSA-N -1 0 402.476 1.632 50 0 HDAARM CCOC(=O)C(=O)C(N=Nc1cccc(C(=O)[O-])c1)C(=O)NN=Cc1ccccc1 ZINC000252629081 569060936 /nfs/dbraw/zinc/06/09/36/569060936.db2.gz TYCVXDWPBQJSJP-UHFFFAOYSA-N -1 0 410.386 1.435 50 0 HDAARM CC(C)C(=O)Nc1ccc(N2CCN(CC(=O)N3CCCC3)CC2)cc1C(=O)[O-] ZINC000064589712 569069029 /nfs/dbraw/zinc/06/90/29/569069029.db2.gz GIGSZZAVTLQBBF-UHFFFAOYSA-N -1 0 402.495 1.724 50 0 HDAARM CC(C)[C@H](NC(=O)[C@@H](NC(=O)N1CCn2c3ccccc3nc21)C(C)C)C(=O)[O-] ZINC000006624231 569075556 /nfs/dbraw/zinc/07/55/56/569075556.db2.gz QMFZYZAKXBYMLB-HOTGVXAUSA-N -1 0 401.467 1.816 50 0 biogenic HDAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(S(N)(=O)=O)cc3)c(C)s2)no1 ZINC000064844576 569107869 /nfs/dbraw/zinc/10/78/69/569107869.db2.gz SFMKRFYVBJWVDK-UHFFFAOYSA-N -1 0 414.490 1.863 50 0 HDAARM CC[C@@H](C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000006760642 569113472 /nfs/dbraw/zinc/11/34/72/569113472.db2.gz IYIFORUOZDCOTI-WBMJQRKESA-N -1 0 400.472 1.842 50 0 HDAARM CC(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000006760532 569113496 /nfs/dbraw/zinc/11/34/96/569113496.db2.gz GUHVCALUTQNUBR-INIZCTEOSA-N -1 0 400.472 1.842 50 0 HDAARM CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(S(C)(=O)=O)CC3)c2c1 ZINC000036354830 569148160 /nfs/dbraw/zinc/14/81/60/569148160.db2.gz JRJRWFFXYJSQIZ-KRWDZBQOSA-N -1 0 422.507 1.465 50 0 HDAARM O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(c3ncccn3)CC2)c2ccc(F)cc21 ZINC000036357124 569148811 /nfs/dbraw/zinc/14/88/11/569148811.db2.gz JLWCIAIMSGGOTM-GOSISDBHSA-N -1 0 413.409 1.603 50 0 HDAARM CSCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000036579882 569202899 /nfs/dbraw/zinc/20/28/99/569202899.db2.gz QSLHZEAZEOOXRS-OAHLLOKOSA-N -1 0 418.512 1.549 50 0 HDAARM Cc1c(C)[n+]([O-])c([C@H](c2ccc(Cl)cc2F)c2c([O-])n(C)c(=O)n(C)c2=O)n1C ZINC000524734984 569213817 /nfs/dbraw/zinc/21/38/17/569213817.db2.gz WYQOPMORLSNUFE-CQSZACIVSA-N -1 0 422.844 1.866 50 0 HDAARM Cc1coc2cc3oc(=O)c(CCC(=O)NCC(=O)NCC(=O)[O-])c(C)c3cc12 ZINC000002100435 569281419 /nfs/dbraw/zinc/28/14/19/569281419.db2.gz YCGNFEPZAFKLKF-UHFFFAOYSA-N -1 0 400.387 1.406 50 0 biogenic HDAARM CCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c12 ZINC000002159694 569290599 /nfs/dbraw/zinc/29/05/99/569290599.db2.gz OHTNRRHEUFNYHM-FQEVSTJZSA-N -1 0 418.446 1.384 50 0 biogenic HDAARM CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc3c(c(C(=O)[O-])c2)OCCO3)cc1 ZINC000079020502 569424262 /nfs/dbraw/zinc/42/42/62/569424262.db2.gz WJZJYNKMWSRTJV-UHFFFAOYSA-N -1 0 413.429 1.360 50 0 HDAARM CCOC(=O)N1CCC([N-]S(=O)(=O)c2c(C)nc3scc(C)n3c2=O)CC1 ZINC000009606095 571273160 /nfs/dbraw/zinc/27/31/60/571273160.db2.gz FYKLQLXZTWOLEA-UHFFFAOYSA-N -1 0 414.509 1.272 50 0 HDAARM COc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](CC(C)C)C(=O)[O-])n2)cc1OC ZINC000071333571 571292866 /nfs/dbraw/zinc/29/28/66/571292866.db2.gz ASPNGFDVASHNHE-OAHLLOKOSA-N -1 0 403.435 1.543 50 0 HDAARM O=C([O-])CN1C(=O)C[C@]2(CSc3[nH]c(=O)sc3[C@@H]2c2ccccc2O)C1=O ZINC000010386599 571301752 /nfs/dbraw/zinc/30/17/52/571301752.db2.gz CLKLGAJHUGAEQO-YVEFUNNKSA-N -1 0 406.441 1.210 50 0 HDAARM O=C([O-])Cn1ncc(N2CCN(C(=O)OCc3ccccc3)CC2)c(Cl)c1=O ZINC000012336690 132358905 /nfs/dbraw/zinc/35/89/05/132358905.db2.gz QELQPUOINUEWPT-UHFFFAOYSA-N -1 0 406.826 1.440 50 0 HDAARM CC(C)C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2C(=O)[O-])CC1 ZINC000012545487 132362867 /nfs/dbraw/zinc/36/28/67/132362867.db2.gz WTFLZNMQJXWLSW-UHFFFAOYSA-N -1 0 423.535 1.864 50 0 HDAARM CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)C(C)C)C(=O)[O-] ZINC000012890185 132368264 /nfs/dbraw/zinc/36/82/64/132368264.db2.gz VBMCVXORAOGNFB-ZLIFDBKOSA-N -1 0 404.467 1.795 50 0 biogenic HDAARM CC(=O)N1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)CCC(=O)[O-])ccc32)CC1 ZINC000031818200 519589946 /nfs/dbraw/zinc/58/99/46/519589946.db2.gz HWQUGQQQVBDTCE-LJQANCHMSA-N -1 0 416.434 1.261 50 0 HDAARM C[C@@H]1CS(=O)(=O)N(c2cccc(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)c2)C1=O ZINC000041181999 525164996 /nfs/dbraw/zinc/16/49/96/525164996.db2.gz ZABSEJKVJZRTDI-SNVBAGLBSA-N -1 0 404.400 1.655 50 0 HDAARM CCOC(=O)C1CCN(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)CC1 ZINC000001163185 535596527 /nfs/dbraw/zinc/59/65/27/535596527.db2.gz CYGOYGRORWIRAP-ACCUITESSA-N -1 0 405.451 1.732 50 0 HDAARM CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccc(F)cc3)C(=O)[O-])ccc21 ZINC000001432479 557262592 /nfs/dbraw/zinc/26/25/92/557262592.db2.gz WKHMPNQICIBNJR-QGZVFWFLSA-N -1 0 406.435 1.709 50 0 HDAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(C)=O)cc2)nc(OC)n1 ZINC000002136168 557317297 /nfs/dbraw/zinc/31/72/97/557317297.db2.gz VLSDMFNHTNCCOB-UHFFFAOYSA-N -1 0 411.465 1.128 50 0 HDAARM CC(C)Oc1cccc(-c2nnc(CCC(=O)NCCN3CCOCC3)c(=O)[n-]2)c1 ZINC000034764391 557461385 /nfs/dbraw/zinc/46/13/85/557461385.db2.gz IRYCDTHMNXNSHB-UHFFFAOYSA-N -1 0 415.494 1.412 50 0 HDAARM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2OCC(=O)N2CCOCC2)no1 ZINC000006659091 557712321 /nfs/dbraw/zinc/71/23/21/557712321.db2.gz DXVDIABCQFZMRR-UHFFFAOYSA-N -1 0 415.855 1.675 50 0 HDAARM CCn1ncc([N-]S(=O)(=O)c2cnn(C)c2C)c1C(=O)Nc1cnn(C)c1C ZINC000002804605 557763600 /nfs/dbraw/zinc/76/36/00/557763600.db2.gz LBCQQGKAMXBFNV-UHFFFAOYSA-N -1 0 406.472 1.040 50 0 HDAARM COCCCN1C(=O)[N-]C(=O)C(=C2C[C@H](c3ccc(OC)cc3)N(C(C)=O)N2)C1=O ZINC000008738198 557803158 /nfs/dbraw/zinc/80/31/58/557803158.db2.gz MJIHUUDIMDLODD-CFBLSMTOSA-N -1 0 416.434 1.702 50 0 HDAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1OC ZINC000009674475 557848343 /nfs/dbraw/zinc/84/83/43/557848343.db2.gz PZLHQJVYXYHUTE-RTBURBONSA-N -1 0 423.429 1.944 50 0 HDAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)N(S(C)(=O)=O)CC3)c1 ZINC000019819437 558289807 /nfs/dbraw/zinc/28/98/07/558289807.db2.gz SMADSZCUVRUUPF-UHFFFAOYSA-N -1 0 412.489 1.827 50 0 HDAARM Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3nn(C)cc3C(=O)[O-])CC2)cc1 ZINC000020614842 558392085 /nfs/dbraw/zinc/39/20/85/558392085.db2.gz FKNMECMXHKQNJG-UHFFFAOYSA-N -1 0 406.464 1.010 50 0 HDAARM O=C([O-])CNC(=O)CNC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 ZINC000020717080 558401627 /nfs/dbraw/zinc/40/16/27/558401627.db2.gz MPRGPRRYIWFTTB-UHFFFAOYSA-N -1 0 402.259 1.976 50 0 HDAARM COc1cc2c(cc1OC)CN(C(=O)Cn1cnc3ccccc3c1=O)[C@H](C(=O)[O-])C2 ZINC000012895176 558483447 /nfs/dbraw/zinc/48/34/47/558483447.db2.gz YUJLMCHFNLVFDG-KRWDZBQOSA-N -1 0 423.425 1.452 50 0 biogenic HDAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000013557330 558540324 /nfs/dbraw/zinc/54/03/24/558540324.db2.gz WBVBIWNYJCUTPY-JRATXPSKSA-N -1 0 407.442 1.299 50 0 HDAARM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000024841637 558616967 /nfs/dbraw/zinc/61/69/67/558616967.db2.gz YJVUKKGJAUUXSW-UHFFFAOYSA-N -1 0 410.473 1.935 50 0 HDAARM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000025098812 558631621 /nfs/dbraw/zinc/63/16/21/558631621.db2.gz DOAKZHNUPLRBQI-UHFFFAOYSA-N -1 0 422.507 1.351 50 0 HDAARM C[C@@H]1CCc2cc(F)cc3c([O-])c(C(=O)NCCCN4CCOCC4)c(=O)n1c23 ZINC000100663170 559137588 /nfs/dbraw/zinc/13/75/88/559137588.db2.gz OVCYGCDRHBKEEP-CYBMUJFWSA-N -1 0 403.454 1.806 50 0 HDAARM CCOc1ccc(C(=O)Nc2c(N)nc(SCC(=O)NC(C)C)[n-]c2=O)cc1 ZINC000005081996 559242693 /nfs/dbraw/zinc/24/26/93/559242693.db2.gz MPEXLERVRINJAV-UHFFFAOYSA-N -1 0 405.480 1.620 50 0 HDAARM COc1cc2c(cc1OC)[C@H](c1c([O-])[nH]c(=O)n(-c3ccc(F)cc3)c1=O)NCC2 ZINC000100749650 559262271 /nfs/dbraw/zinc/26/22/71/559262271.db2.gz VGWLYYHTTYRPGW-GOSISDBHSA-N -1 0 413.405 1.623 50 0 biogenic HDAARM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC000005180559 559289564 /nfs/dbraw/zinc/28/95/64/559289564.db2.gz GGMTXSJKWMRMCU-ZFWWWQNUSA-N -1 0 413.515 1.754 50 0 HDAARM CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)[O-] ZINC000005266816 560554156 /nfs/dbraw/zinc/55/41/56/560554156.db2.gz YECSJTKRWBZJBH-ZENOOKHLSA-N -1 0 407.442 1.299 50 0 HDAARM CC(C)(C)OC(=O)N1CCC(C(=O)N[C@H](CC(N)=O)C(=O)[O-])(c2ccccc2)CC1 ZINC000005428387 560585947 /nfs/dbraw/zinc/58/59/47/560585947.db2.gz UACLPYBALYKENK-OAHLLOKOSA-N -1 0 419.478 1.400 50 0 HDAARM NC(=O)COc1ccc(C2=NO[C@@](CC(=O)[O-])(C(=O)NCc3ccccc3)C2)cc1 ZINC000005483682 560596649 /nfs/dbraw/zinc/59/66/49/560596649.db2.gz ALFWAHGDZMHQQD-NRFANRHFSA-N -1 0 411.414 1.205 50 0 HDAARM COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3[O-])=NN2)cc1OC ZINC000101762292 560800450 /nfs/dbraw/zinc/80/04/50/560800450.db2.gz QQUQUTFMHQWMJM-HNNXBMFYSA-N -1 0 422.441 1.746 50 0 HDAARM COc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccccc4C)c3=O)=NN2)c(OC)c1 ZINC000101762928 560800813 /nfs/dbraw/zinc/80/08/13/560800813.db2.gz BTFWQSOALLCRPD-OAHLLOKOSA-N -1 0 422.441 1.996 50 0 HDAARM CC(NCCc1c[nH]cn1)=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000025180324 560891330 /nfs/dbraw/zinc/89/13/30/560891330.db2.gz WAUWQIHSMMRQMM-GXDHUFHOSA-N -1 0 418.251 1.861 50 0 HDAARM NC1=C2C(=O)Oc3ccccc3[C@@H]2[C@H]2C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]2S1 ZINC000107166299 560895629 /nfs/dbraw/zinc/89/56/29/560895629.db2.gz HGYXCKGDHCODDJ-IIAWOOMASA-N -1 0 422.418 1.863 50 0 HDAARM COc1ccc(-c2ccc(=O)n(CC(=O)N3CCC[C@@H](C(=O)[O-])C3)n2)cc1OC ZINC000049550050 568451794 /nfs/dbraw/zinc/45/17/94/568451794.db2.gz ARFZCIGRJRDDBT-CQSZACIVSA-N -1 0 401.419 1.251 50 0 HDAARM Nn1c(=O)c(CCC(=O)[O-])nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000012347542 568493943 /nfs/dbraw/zinc/49/39/43/568493943.db2.gz VCJVWERWLGMJLI-UHFFFAOYSA-N -1 0 418.262 1.407 50 0 HDAARM COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000390830636 568495259 /nfs/dbraw/zinc/49/52/59/568495259.db2.gz MILZEBWEKHORDY-LBPRGKRZSA-N -1 0 408.871 1.344 50 0 HDAARM CSc1nc(C)c(CCC(=O)OCCOCC[N-]C(=O)C(F)(F)F)c(C)n1 ZINC000095467966 568625116 /nfs/dbraw/zinc/62/51/16/568625116.db2.gz MNCAYYOJMHBXFP-UHFFFAOYSA-N -1 0 409.430 1.986 50 0 HDAARM COC(=O)c1ccc(NS(=O)(=O)[N-]C(=O)c2ccccc2Cn2cncn2)cc1 ZINC000225526045 568647265 /nfs/dbraw/zinc/64/72/65/568647265.db2.gz RVCRJMLAMSELEE-UHFFFAOYSA-N -1 0 415.431 1.200 50 0 HDAARM Cc1nn2c(nc(CS(=O)(=O)c3nnc(-c4ccc(C)cc4)[n-]3)cc2=O)s1 ZINC000020987173 568655252 /nfs/dbraw/zinc/65/52/52/568655252.db2.gz FTXWGZMWINFEMH-UHFFFAOYSA-N -1 0 402.461 1.527 50 0 HDAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)nc(N3CCOCC3)n2)c1C ZINC000095944121 568662749 /nfs/dbraw/zinc/66/27/49/568662749.db2.gz QUKKCBGSSCBIFO-UHFFFAOYSA-N -1 0 406.464 1.517 50 0 HDAARM COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCC(C(=O)[O-])CC3)CC2)cc1 ZINC000095970510 568671611 /nfs/dbraw/zinc/67/16/11/568671611.db2.gz MRMSAHBLVLOOBA-UHFFFAOYSA-N -1 0 424.519 1.856 50 0 HDAARM COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c([O-])nc2ccccn2c1=O ZINC000096117194 568696765 /nfs/dbraw/zinc/69/67/65/568696765.db2.gz IIPVDSDPZRGOJP-ZDUSSCGKSA-N -1 0 408.414 1.286 50 0 HDAARM COC(=O)C[C@H](c1cnn(C)c1)c1c([O-])nc2ccc(Br)cn2c1=O ZINC000096232557 568708232 /nfs/dbraw/zinc/70/82/32/568708232.db2.gz DLOYAMGJGOVFGK-LLVKDONJSA-N -1 0 407.224 1.591 50 0 HDAARM CCOCCCn1c(=O)c2ccc(C(=O)NCCN3CCOCC3)cc2[n-]c1=S ZINC000002972228 568832087 /nfs/dbraw/zinc/83/20/87/568832087.db2.gz OGMGUXSNQPLIQI-UHFFFAOYSA-N -1 0 420.535 1.548 50 0 HDAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N(C)C)ccc2O)cc1 ZINC000012521259 568841612 /nfs/dbraw/zinc/84/16/12/568841612.db2.gz JYMGYVXYHOOPNU-UHFFFAOYSA-N -1 0 414.461 1.230 50 0 HDAARM COc1ccc(CCn2c(S[C@@H](C)C(=O)[O-])nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000012550298 568852883 /nfs/dbraw/zinc/85/28/83/568852883.db2.gz CMOQXHGOXLDRNB-NSHDSACASA-N -1 0 418.475 1.250 50 0 HDAARM CCC(=O)N1N=C(c2c([O-])[nH]c(=S)n(C)c2=O)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000015670676 568961880 /nfs/dbraw/zinc/96/18/80/568961880.db2.gz IZTNIMKRPCWPGL-LLVKDONJSA-N -1 0 402.432 1.965 50 0 HDAARM COc1ccc(C(=O)N(C)CC(=O)N(C)C)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000008096450 568973636 /nfs/dbraw/zinc/97/36/36/568973636.db2.gz PXPKAOYXYMWZNP-UHFFFAOYSA-N -1 0 419.503 1.965 50 0 HDAARM CC(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)C(=O)[O-] ZINC000008429590 569002755 /nfs/dbraw/zinc/00/27/55/569002755.db2.gz HWWFYMBKAKVSNN-ZQIUZPCESA-N -1 0 412.508 1.714 50 0 HDAARM COC(=O)[C@@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1 ZINC000006577726 569066930 /nfs/dbraw/zinc/06/69/30/569066930.db2.gz MRCNDDUCNRIRIX-SECBINFHSA-N -1 0 421.866 1.542 50 0 HDAARM COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(CC(=O)[O-])C(=O)[C@@H]32)cc1 ZINC000006606359 569071222 /nfs/dbraw/zinc/07/12/22/569071222.db2.gz ONNMVZFTQVAKLI-LOWVWBTDSA-N -1 0 406.441 1.121 50 0 HDAARM CC[C@@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000006660039 569084148 /nfs/dbraw/zinc/08/41/48/569084148.db2.gz WBVBIWNYJCUTPY-ZHRONYKTSA-N -1 0 407.442 1.299 50 0 HDAARM Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000006720182 569098151 /nfs/dbraw/zinc/09/81/51/569098151.db2.gz HHMHUFQPUCDCHO-UHFFFAOYSA-N -1 0 404.444 1.966 50 0 HDAARM CC(=O)c1ccc(S(=O)(=O)Nc2cnc(N3CCOCC3)c(C(=O)[O-])c2)cc1 ZINC000064843439 569106869 /nfs/dbraw/zinc/10/68/69/569106869.db2.gz UUVKKCGQGNHQQX-UHFFFAOYSA-N -1 0 405.432 1.620 50 0 HDAARM COc1cc2nc(CSCC(=O)N[C@@H](C(=O)[O-])C(C)C)[nH]c(=O)c2cc1OC ZINC000036569342 569201414 /nfs/dbraw/zinc/20/14/14/569201414.db2.gz FGLXWVGOHOGSIZ-MRXNPFEDSA-N -1 0 409.464 1.399 50 0 HDAARM NC(=O)NCCC[C@@H](NC(=O)Cn1ccc2cc(Br)ccc21)C(=O)[O-] ZINC000036584666 569202963 /nfs/dbraw/zinc/20/29/63/569202963.db2.gz ZDJKLBQVTJMZMS-GFCCVEGCSA-N -1 0 411.256 1.422 50 0 HDAARM CCc1nn(CC)c(=O)c2cc(S(=O)(=O)[N-]c3cc(OC)ccc3OC)cn21 ZINC000065247280 569205776 /nfs/dbraw/zinc/20/57/76/569205776.db2.gz BLHYSWSLGQWYCD-UHFFFAOYSA-N -1 0 406.464 1.896 50 0 HDAARM Cc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000002115888 569284628 /nfs/dbraw/zinc/28/46/28/569284628.db2.gz WEGUAMVAUSLJKU-SFHVURJKSA-N -1 0 404.419 1.130 50 0 biogenic HDAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCn1c(=O)[nH]c2ccccc2c1=O ZINC000002131155 569287331 /nfs/dbraw/zinc/28/73/31/569287331.db2.gz ZFNPURYBEISZRW-SFHVURJKSA-N -1 0 420.425 1.373 50 0 biogenic HDAARM CCOc1cc(C=c2[n-]c(=O)c(=Cc3ccc(O)c(OCC)c3)[nH]c2=O)ccc1O ZINC000253531896 569382660 /nfs/dbraw/zinc/38/26/60/569382660.db2.gz DUZLBVDQFVYLLV-UHFFFAOYSA-N -1 0 410.426 1.754 50 0 HDAARM COc1ccc2c(c1OC)C(=O)O[C@H]2c1c([O-])[nH]c(=O)n(-c2ccc(C)cc2)c1=O ZINC000002415514 569397230 /nfs/dbraw/zinc/39/72/30/569397230.db2.gz ASHVCSOGERZLMH-MRXNPFEDSA-N -1 0 410.382 1.817 50 0 HDAARM CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(N3CCC[C@@H](C(N)=O)C3)nc2)c1 ZINC000079001538 569423556 /nfs/dbraw/zinc/42/35/56/569423556.db2.gz RABQMXPJPCGFQB-CQSZACIVSA-N -1 0 406.512 1.437 50 0 HDAARM COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3(C(=O)[O-])CCCCC3)CC2)cc1 ZINC000008723791 571107456 /nfs/dbraw/zinc/10/74/56/571107456.db2.gz AUAXFMYDPJERSH-UHFFFAOYSA-N -1 0 424.519 2.000 50 0 HDAARM CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000009320031 571247984 /nfs/dbraw/zinc/24/79/84/571247984.db2.gz MYDLBGZFEPQYJJ-ROUUACIJSA-N -1 0 409.442 1.699 50 0 biogenic HDAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@@H]1CSCCC(=O)N1 ZINC000077101328 571311616 /nfs/dbraw/zinc/31/16/16/571311616.db2.gz DZIWLGZKHYZVJN-LBPRGKRZSA-N -1 0 412.518 1.504 50 0 HDAARM COc1cc(-c2nnc(CCC(=O)N3CCSCC3)c(=O)[n-]2)cc(OC)c1OC ZINC000034767992 571316523 /nfs/dbraw/zinc/31/65/23/571316523.db2.gz FDNGRKPZNFBWBC-UHFFFAOYSA-N -1 0 420.491 1.778 50 0 HDAARM Cc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(C(=O)[O-])cc1)CN=3)C(=O)N2 ZINC000002231313 132249962 /nfs/dbraw/zinc/24/99/62/132249962.db2.gz GBYDJEOPPRJFAK-MSUUIHNZSA-N -1 0 420.450 1.122 50 0 HDAARM CC(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(Cc4nonc4C)CC3)c2c1 ZINC000032088361 519734545 /nfs/dbraw/zinc/73/45/45/519734545.db2.gz VGSGMEHTCQDMCV-LJQANCHMSA-N -1 0 412.450 1.761 50 0 HDAARM CC(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])N1CCN(Cc2nonc2C)CC1 ZINC000032074252 519734882 /nfs/dbraw/zinc/73/48/82/519734882.db2.gz BZMXQCSPPDCHFS-IBGZPJMESA-N -1 0 412.450 1.761 50 0 HDAARM CCn1cc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)n1 ZINC000017089928 523452498 /nfs/dbraw/zinc/45/24/98/523452498.db2.gz KMXCDPOAHUXDMC-UHFFFAOYSA-N -1 0 414.509 1.033 50 0 HDAARM COCCOc1ccc(-c2nnc(CCC(=O)NCc3cccnc3)c(=O)[n-]2)cc1 ZINC000040426082 524041628 /nfs/dbraw/zinc/04/16/28/524041628.db2.gz NKTOBRIHUUSQDM-UHFFFAOYSA-N -1 0 409.446 1.913 50 0 HDAARM Cc1c(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000002696808 557368628 /nfs/dbraw/zinc/36/86/28/557368628.db2.gz XXZOTDHXSIGLDU-UHFFFAOYSA-N -1 0 403.416 1.689 50 0 HDAARM O=S(=O)([N-]c1ccc(N2CCOCC2)nc1N1CCOCC1)c1cccs1 ZINC000004388258 557550198 /nfs/dbraw/zinc/55/01/98/557550198.db2.gz WNNUPYSJCOMXIL-UHFFFAOYSA-N -1 0 410.521 1.617 50 0 HDAARM C[C@H](O)[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004761978 557595625 /nfs/dbraw/zinc/59/56/25/557595625.db2.gz GIYVFJXSCLFRIL-MORSLUCNSA-N -1 0 416.430 1.180 50 0 HDAARM C[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1OCC(=O)[O-] ZINC000006013484 557684103 /nfs/dbraw/zinc/68/41/03/557684103.db2.gz LXUGZRWYXZFAFG-JTQLQIEISA-N -1 0 412.851 1.942 50 0 HDAARM C[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)NCC(=O)NCC(=O)[O-] ZINC000011866746 558290020 /nfs/dbraw/zinc/29/00/20/558290020.db2.gz XYHGBQOWOKTEFX-ZDUSSCGKSA-N -1 0 424.409 1.544 50 0 HDAARM COCCNC(=O)CN1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(Cl)cc32)CC1 ZINC000020730018 558406179 /nfs/dbraw/zinc/40/61/79/558406179.db2.gz OMRBGHQJHIODJA-SFHVURJKSA-N -1 0 408.886 1.327 50 0 HDAARM O=C([O-])CCC(=O)OCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O ZINC000040565282 558825361 /nfs/dbraw/zinc/82/53/61/558825361.db2.gz MIDWRLKBRJDEQS-INIZCTEOSA-N -1 0 413.467 1.906 50 0 HDAARM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000011176490 558919136 /nfs/dbraw/zinc/91/91/36/558919136.db2.gz NIGMCZHLIQRLEW-UHFFFAOYSA-N -1 0 408.388 1.726 50 0 HDAARM CN1CC[NH+]([C@H]2CCN(C(=O)c3cccc(C(=O)[O-])c3)C[C@H]2CCC(=O)[O-])CC1 ZINC000095355443 559079915 /nfs/dbraw/zinc/07/99/15/559079915.db2.gz VNAIFFOLMXUINX-MSOLQXFVSA-N -1 0 403.479 1.328 50 0 HDAARM Cc1ccc(CNC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1 ZINC000101389067 560793987 /nfs/dbraw/zinc/79/39/87/560793987.db2.gz XFEABLRCPMGQEW-ROUUACIJSA-N -1 0 413.384 1.883 50 0 HDAARM COc1ccccc1-n1c(=O)[nH]c([O-])c(C2=NN(C(C)=O)[C@@H](c3cccnc3)C2)c1=O ZINC000101455667 560795174 /nfs/dbraw/zinc/79/51/74/560795174.db2.gz KXLCPWOELYEOSM-MRXNPFEDSA-N -1 0 421.413 1.333 50 0 HDAARM COc1ccc([C@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=NN2C(C)=O)c(OC)c1 ZINC000101456412 560795607 /nfs/dbraw/zinc/79/56/07/560795607.db2.gz OHFAIIYKAOAVMG-CQSZACIVSA-N -1 0 418.475 1.874 50 0 HDAARM CCCCn1c(=O)[nH]c(=O)c(C2=NN(C(C)=O)[C@@H](c3ccccc3OC)C2)c1[O-] ZINC000101456802 560795679 /nfs/dbraw/zinc/79/56/79/560795679.db2.gz OJCFVFWMCQSJAV-OAHLLOKOSA-N -1 0 400.435 1.749 50 0 HDAARM COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccccc4OC)c3=O)=NN2)cc1 ZINC000101762762 560800772 /nfs/dbraw/zinc/80/07/72/560800772.db2.gz QTOPAKLILFCDCW-AWEZNQCLSA-N -1 0 408.414 1.687 50 0 HDAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)N1CCN(c2ccccc2)CC1 ZINC000102829278 560829712 /nfs/dbraw/zinc/82/97/12/560829712.db2.gz ADJGIYKAKRMJPL-PMACEKPBSA-N -1 0 418.457 1.329 50 0 HDAARM COC(=O)c1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(C)cc3)c(=O)c1=2 ZINC000103085949 560837717 /nfs/dbraw/zinc/83/77/17/560837717.db2.gz QQBAHDQDWAKECP-QZTJIDSGSA-N -1 0 421.413 1.714 50 0 HDAARM COC(=O)C1C(C)=Nc2ncnn2[C@H]1c1cc(Br)ccc1OCC(=O)[O-] ZINC000044973343 560898313 /nfs/dbraw/zinc/89/83/13/560898313.db2.gz QSWRTSMICFYEJK-AWEZNQCLSA-N -1 0 423.223 1.966 50 0 HDAARM Cc1ccc(-c2nc3[nH]c(=O)[nH]c([O-])c-3c2-c2c(=O)[nH]c(=O)[nH]c2-n2cccc2)cc1 ZINC000046009243 568423641 /nfs/dbraw/zinc/42/36/41/568423641.db2.gz OLAOXQJQAUAJFE-UHFFFAOYSA-N -1 0 416.397 1.354 50 0 HDAARM COc1ccc2cc(CCNS(=O)(=O)c3ccc(C(=O)[O-])cc3)c(=O)[nH]c2c1 ZINC000049597347 568452395 /nfs/dbraw/zinc/45/23/95/568452395.db2.gz PUGSZCNJBZKQLT-UHFFFAOYSA-N -1 0 402.428 1.756 50 0 HDAARM COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000390830635 568495268 /nfs/dbraw/zinc/49/52/68/568495268.db2.gz MILZEBWEKHORDY-GFCCVEGCSA-N -1 0 408.871 1.344 50 0 HDAARM COC(=O)c1sccc1S(=O)(=O)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 ZINC000390828405 568591600 /nfs/dbraw/zinc/59/16/00/568591600.db2.gz AWKDIRZNBNMAIX-MRVPVSSYSA-N -1 0 424.426 1.729 50 0 HDAARM O=C([N-]C1=N[C@@H]2CCCCC[C@H]2S1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000094993095 568593596 /nfs/dbraw/zinc/59/35/96/568593596.db2.gz JXXWWXXEPBPEGN-YRGRVCCFSA-N -1 0 412.537 1.072 50 0 HDAARM Cc1oc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)cc1C(=O)[O-] ZINC000095425168 568607914 /nfs/dbraw/zinc/60/79/14/568607914.db2.gz PLFKUFVACIGADC-UHFFFAOYSA-N -1 0 412.489 1.991 50 0 HDAARM CN1CC[NH+]([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(Br)ccc23)CC1 ZINC000095481253 568633660 /nfs/dbraw/zinc/63/36/60/568633660.db2.gz QBRCHXLOHFSFNC-MRXNPFEDSA-N -1 0 410.268 1.862 50 0 HDAARM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000020645320 568638891 /nfs/dbraw/zinc/63/88/91/568638891.db2.gz IOZFLADZGTYSEQ-KGLIPLIRSA-N -1 0 408.483 1.867 50 0 HDAARM COc1cc(S(=O)(=O)Nc2cccc(-n3cn[nH]c3=O)c2)cc(C(=O)[O-])c1OC ZINC000095941730 568662387 /nfs/dbraw/zinc/66/23/87/568662387.db2.gz DUDBHUYIFLSFOY-UHFFFAOYSA-N -1 0 420.403 1.077 50 0 HDAARM COC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3nc(C)oc3c2)cc1 ZINC000095946374 568664022 /nfs/dbraw/zinc/66/40/22/568664022.db2.gz UYPKQUPQCJERPG-UHFFFAOYSA-N -1 0 403.416 1.840 50 0 HDAARM COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c([O-])nc2ccccn2c1=O ZINC000096114438 568694293 /nfs/dbraw/zinc/69/42/93/568694293.db2.gz YEGSGLDXPUHSCA-GFCCVEGCSA-N -1 0 400.387 1.818 50 0 biogenic HDAARM COC(=O)C[C@@H](c1coc2ccccc2c1=O)c1c(O)cc(C)n(CC(=O)[O-])c1=O ZINC000096222088 568705417 /nfs/dbraw/zinc/70/54/17/568705417.db2.gz ZUEBFDKYUGLSCW-ZDUSSCGKSA-N -1 0 413.382 1.748 50 0 biogenic HDAARM CC(C)N1CCN(C(=O)c2snc3c2nc([O-])n(Cc2ccccc2)c3=O)CC1 ZINC000096396743 568745305 /nfs/dbraw/zinc/74/53/05/568745305.db2.gz GRNDYIIMRNXLMI-UHFFFAOYSA-N -1 0 413.503 1.773 50 0 HDAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000012631447 568883512 /nfs/dbraw/zinc/88/35/12/568883512.db2.gz UECFGHLYVSPYCX-UHFFFAOYSA-N -1 0 410.473 1.935 50 0 HDAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3nnnn3C3CC3)c2)cn1C ZINC000031667933 568929122 /nfs/dbraw/zinc/92/91/22/568929122.db2.gz DUBWDIMWMSETLY-UHFFFAOYSA-N -1 0 401.452 1.174 50 0 HDAARM C[C@H](O)[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C(=O)[O-] ZINC000012909330 569021768 /nfs/dbraw/zinc/02/17/68/569021768.db2.gz DYSOBAWJFVDFEO-HZMBPMFUSA-N -1 0 404.872 1.078 50 0 HDAARM CC[C@H](C)[C@@H](NC(=O)CNC(=O)COc1ccc2c(C)cc(=O)oc2c1)C(=O)[O-] ZINC000015956230 569024541 /nfs/dbraw/zinc/02/45/41/569024541.db2.gz SHHYSQQPBGNSEI-JEOXALJRSA-N -1 0 404.419 1.212 50 0 HDAARM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)c1C ZINC000035480240 569038733 /nfs/dbraw/zinc/03/87/33/569038733.db2.gz SLNKKGHALFAINF-UHFFFAOYSA-N -1 0 401.466 1.256 50 0 HDAARM CCCC(=O)Nc1ccc(N2CCN(CC(=O)NCCOC)CC2)cc1C(=O)[O-] ZINC000064589371 569068978 /nfs/dbraw/zinc/06/89/78/569068978.db2.gz XASSJLYRUMONQS-UHFFFAOYSA-N -1 0 406.483 1.008 50 0 HDAARM COc1ccc2[nH]cc(C(=O)N3CCN(C(=O)NCCC(=O)[O-])CC3)c2c1OC ZINC000006669457 569086233 /nfs/dbraw/zinc/08/62/33/569086233.db2.gz PZCKOJSMAZUEBM-UHFFFAOYSA-N -1 0 404.423 1.127 50 0 HDAARM O=C([O-])Cn1c(=O)c2c3c(sc2n(CC(=O)NCc2ccccc2)c1=O)CCC3 ZINC000006760329 569113425 /nfs/dbraw/zinc/11/34/25/569113425.db2.gz YACMMRVDCUADIQ-UHFFFAOYSA-N -1 0 413.455 1.114 50 0 HDAARM COc1ccc(CC[N-]S(=O)(=O)c2c(C)nc3sccn3c2=O)cc1OC ZINC000006859757 569157485 /nfs/dbraw/zinc/15/74/85/569157485.db2.gz ZGQAAPZYJBLKRU-UHFFFAOYSA-N -1 0 409.489 1.603 50 0 HDAARM COCCn1c(=O)[nH]c(=O)c2cc(C(=O)c3cc(Cl)cc(Cl)c3[O-])cnc21 ZINC000006941483 569186760 /nfs/dbraw/zinc/18/67/60/569186760.db2.gz UONXHYOURGQZLK-UHFFFAOYSA-N -1 0 410.213 1.975 50 0 HDAARM O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3C43CCCC3)[C@@H]2C1=O ZINC000238899893 569227892 /nfs/dbraw/zinc/22/78/92/569227892.db2.gz HFGNCTZBQJNROV-VNRLQFKDSA-N -1 0 420.512 1.674 50 0 HDAARM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000170596629 569241765 /nfs/dbraw/zinc/24/17/65/569241765.db2.gz JKCGZYJOKNSZSX-RYUDHWBXSA-N -1 0 407.339 1.889 50 0 HDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2ncnc3[nH]cnc32)cc1 ZINC000013572076 569256143 /nfs/dbraw/zinc/25/61/43/569256143.db2.gz HWFMJLUOQFAQQW-VIFPVBQESA-N -1 0 420.476 1.297 50 0 HDAARM CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCC(=O)NCC(=O)[O-])ccc12 ZINC000002099408 569281111 /nfs/dbraw/zinc/28/11/11/569281111.db2.gz LAHDARPHRNSSKO-CYBMUJFWSA-N -1 0 418.446 1.528 50 0 biogenic HDAARM CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCC(=O)NCC(=O)[O-])ccc12 ZINC000002100601 569281418 /nfs/dbraw/zinc/28/14/18/569281418.db2.gz SIYWRZLDBOEGTR-GFCCVEGCSA-N -1 0 404.419 1.138 50 0 biogenic HDAARM CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2ccc(OC)cc2oc1=O)C(=O)[O-] ZINC000002113556 569284208 /nfs/dbraw/zinc/28/42/08/569284208.db2.gz USNOHDPPTLVNAI-WYRIXSBYSA-N -1 0 418.446 1.384 50 0 biogenic HDAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)O[C@@H](C)C(N)=O)cc1OC ZINC000007742005 569306072 /nfs/dbraw/zinc/30/60/72/569306072.db2.gz OTZUUWWACPHXQW-NSHDSACASA-N -1 0 408.432 1.535 50 0 HDAARM O=C(c1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnc[nH]3)c2)c[nH]1)N1CCCC1 ZINC000253421198 569367946 /nfs/dbraw/zinc/36/79/46/569367946.db2.gz RPBFZPAZWFMHCP-UHFFFAOYSA-N -1 0 404.427 1.976 50 0 HDAARM COc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1C(=O)[O-] ZINC000012941268 569405113 /nfs/dbraw/zinc/40/51/13/569405113.db2.gz OPUABDBOYLSLEM-UHFFFAOYSA-N -1 0 404.444 1.764 50 0 HDAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccsc2C(N)=O)c(C)c1NS(C)(=O)=O ZINC000079106624 569427677 /nfs/dbraw/zinc/42/76/77/569427677.db2.gz VCOWTZHLQUCPFA-UHFFFAOYSA-N -1 0 417.534 1.945 50 0 HDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3cc(C)ccc3C)[C@H]2SC1 ZINC000008549596 571077907 /nfs/dbraw/zinc/07/79/07/571077907.db2.gz CDXCKCJXRMXOOX-KBXCAEBGSA-N -1 0 404.444 1.219 50 0 HDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3cc(C)ccc3C)[C@@H]2SC1 ZINC000008549599 571077966 /nfs/dbraw/zinc/07/79/66/571077966.db2.gz CDXCKCJXRMXOOX-KDOFPFPSSA-N -1 0 404.444 1.219 50 0 HDAARM NC(=O)c1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCCC[C@@H]43)C2=O)cc1 ZINC000008694591 571102314 /nfs/dbraw/zinc/10/23/14/571102314.db2.gz ODRHHIUEKJPPFH-WZONZLPQSA-N -1 0 418.453 1.970 50 0 HDAARM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1 ZINC000009228282 571239381 /nfs/dbraw/zinc/23/93/81/571239381.db2.gz FJHRIXIPXAXRDX-UHFFFAOYSA-N -1 0 401.466 1.256 50 0 HDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4C)c=3c2=O)cc1OC ZINC000009675520 571278944 /nfs/dbraw/zinc/27/89/44/571278944.db2.gz PTQMBLRHERCXLE-RTBURBONSA-N -1 0 423.429 1.944 50 0 HDAARM O=C(c1nc(-c2csc(S(=O)(=O)[N-]c3ccccn3)c2)no1)N1CCCC1 ZINC000065097470 571307986 /nfs/dbraw/zinc/30/79/86/571307986.db2.gz ASICOYPGMSISJC-UHFFFAOYSA-N -1 0 405.461 2.230 50 0 HDAARM CC(=O)c1cc2c(cc1[N-]S(=O)(=O)c1ccc3c(c1)N(C)C(=O)CO3)OCO2 ZINC000006659099 132312589 /nfs/dbraw/zinc/31/25/89/132312589.db2.gz QOFVAMFVXAAEPJ-UHFFFAOYSA-N -1 0 404.400 1.774 50 0 HDAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000032899945 521421963 /nfs/dbraw/zinc/42/19/63/521421963.db2.gz QGJVTSSGLBJXMR-UHFFFAOYSA-N -1 0 420.369 1.679 50 0 HDAARM COc1c(-n2nc3ccccc3n2)cc(C)cc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000041107914 521774228 /nfs/dbraw/zinc/77/42/28/521774228.db2.gz MEERAAAKFXCPEV-HNNXBMFYSA-N -1 0 416.459 1.975 50 0 HDAARM C[C@H]1CS(=O)(=O)N(c2cccc(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)c2)C1=O ZINC000041182001 524748608 /nfs/dbraw/zinc/74/86/08/524748608.db2.gz ZABSEJKVJZRTDI-JTQLQIEISA-N -1 0 404.400 1.655 50 0 HDAARM O=C([O-])Cn1cc(I)c(=O)c(I)c1 ZINC000003830941 557499055 /nfs/dbraw/zinc/49/90/55/557499055.db2.gz PVBALTLWZVEAIO-UHFFFAOYSA-N -1 0 404.929 1.142 50 0 in-man HDAARM Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccccc3OCC(=O)[O-])C2=O)cc1 ZINC000004698991 557582803 /nfs/dbraw/zinc/58/28/03/557582803.db2.gz PUSYMNDFMNENPK-MHWRWJLKSA-N -1 0 409.398 1.990 50 0 HDAARM CSCC[C@@H](NS(=O)(=O)c1ccc(I)cc1)C(=O)[O-] ZINC000008834398 557811440 /nfs/dbraw/zinc/81/14/40/557811440.db2.gz ANJRVPMBSWVDGI-SNVBAGLBSA-N -1 0 415.274 1.776 50 0 HDAARM COc1ccc(Cc2nnc(N3CCN(c4ccccn4)CC3)[n-]c2=O)cc1OC ZINC000020621787 558394123 /nfs/dbraw/zinc/39/41/23/558394123.db2.gz ZECMSVKIOOFHQX-UHFFFAOYSA-N -1 0 408.462 1.907 50 0 HDAARM O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000020730085 558406144 /nfs/dbraw/zinc/40/61/44/558406144.db2.gz XDXGLZFOQVEFNF-LJQANCHMSA-N -1 0 420.897 1.423 50 0 HDAARM COc1ccc([C@H]2C/C(=C3\C(=O)[N-]C(=O)N(C4CCCCC4)C3=O)NN2)cc1O ZINC000013653851 558558409 /nfs/dbraw/zinc/55/84/09/558558409.db2.gz NRYSGJINYXAONF-CLBVAXQTSA-N -1 0 400.435 1.605 50 0 HDAARM O=C([O-])CN1C(=O)/C(=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)c2ccccc21 ZINC000013748580 558589242 /nfs/dbraw/zinc/58/92/42/558589242.db2.gz HCVQZUJHZHDPTG-NXVVXOECSA-N -1 0 422.397 1.306 50 0 HDAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1ccc2c(c1)OCO2 ZINC000004483553 558602858 /nfs/dbraw/zinc/60/28/58/558602858.db2.gz UGWLXVSUNFMQPV-SJORKVTESA-N -1 0 411.349 1.486 50 0 HDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3cc(C)cc(C)c3)[C@@H]2SC1 ZINC000004556387 558725809 /nfs/dbraw/zinc/72/58/09/558725809.db2.gz APLWRCOGQLUCNR-KSSFIOAISA-N -1 0 404.444 1.219 50 0 HDAARM O=C(COc1ccccc1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O)N1CCOCC1 ZINC000001123335 558836267 /nfs/dbraw/zinc/83/62/67/558836267.db2.gz MRLJBASOVPJJIA-NBVRZTHBSA-N -1 0 407.426 1.386 50 0 HDAARM COc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](C(=O)[O-])c3ccccc3)n2)cc1OC ZINC000071333585 558868265 /nfs/dbraw/zinc/86/82/65/558868265.db2.gz NCHXXNUOHUYZDK-NRFANRHFSA-N -1 0 423.425 1.870 50 0 HDAARM COc1ccc(CN(C(=O)C=CC(=O)[O-])[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000096487377 558958538 /nfs/dbraw/zinc/95/85/38/558958538.db2.gz RLEJWWMLEJMKFX-YUIUBULTSA-N -1 0 408.410 1.997 50 0 HDAARM Cc1nnc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@@H]2CCOC2)CC3)s1 ZINC000077357588 559002446 /nfs/dbraw/zinc/00/24/46/559002446.db2.gz ZWVRCTYJKAOFRU-CYBMUJFWSA-N -1 0 408.505 1.569 50 0 HDAARM O=C([O-])C=CC(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000033403055 559163841 /nfs/dbraw/zinc/16/38/41/559163841.db2.gz LINZWRYGUMIPNB-HLRDLLSLSA-N -1 0 422.393 1.717 50 0 HDAARM COC(=O)C[C@@H](c1cc2ccccc2n(C)c1=O)c1c(=O)nc2ccccn2c1[O-] ZINC000205948923 559177942 /nfs/dbraw/zinc/17/79/42/559177942.db2.gz OOWVQCYMTBEEOM-AWEZNQCLSA-N -1 0 405.410 1.947 50 0 HDAARM COc1ccc(-c2nnc3ccc(OCC[N-]C(=O)C(F)(F)F)nn32)cc1OC ZINC000011693936 560773855 /nfs/dbraw/zinc/77/38/55/560773855.db2.gz XSMZJTWQFKBSIS-UHFFFAOYSA-N -1 0 411.340 1.866 50 0 HDAARM CCCCn1c(=O)[nH]c(=O)c(C2=NN(C(C)=O)[C@H](c3ccccc3OC)C2)c1[O-] ZINC000101456801 560795650 /nfs/dbraw/zinc/79/56/50/560795650.db2.gz OJCFVFWMCQSJAV-HNNXBMFYSA-N -1 0 400.435 1.749 50 0 HDAARM COc1ccccc1C(=O)Nc1nnc(SCc2cc(=O)n3nc[n-]c3n2)s1 ZINC000102621510 560818342 /nfs/dbraw/zinc/81/83/42/560818342.db2.gz NPQCNGOAGYOHSN-UHFFFAOYSA-N -1 0 415.460 1.822 50 0 HDAARM Cc1cc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(C)cc3)c(=O)[n-]2)no1 ZINC000012033303 560887266 /nfs/dbraw/zinc/88/72/66/560887266.db2.gz DZHFBKDFFROUMJ-UHFFFAOYSA-N -1 0 414.447 1.940 50 0 HDAARM CC(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000008429565 568501494 /nfs/dbraw/zinc/50/14/94/568501494.db2.gz RRPMZSRJVDUZBF-HNNXBMFYSA-N -1 0 402.900 1.966 50 0 HDAARM O=C(CSc1ccccc1)N1CCN(c2nc3nc(C4CC4)cc(=O)n3[n-]2)CC1 ZINC000390828073 568591596 /nfs/dbraw/zinc/59/15/96/568591596.db2.gz OJZSGCMBPCUOBM-UHFFFAOYSA-N -1 0 410.503 1.736 50 0 HDAARM O=C([O-])C1(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)Cc2ccccc2C1 ZINC000095424512 568607735 /nfs/dbraw/zinc/60/77/35/568607735.db2.gz SWGQOKVGJOWSOT-UHFFFAOYSA-N -1 0 414.483 1.823 50 0 HDAARM NS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)c(F)c2)cc2c1CCC2 ZINC000095464104 568622283 /nfs/dbraw/zinc/62/22/83/568622283.db2.gz YZRXIZCVFABKLA-INIZCTEOSA-N -1 0 410.398 1.657 50 0 HDAARM C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@](C)(C(=O)[O-])C3CC3)c2)C[C@@H](C)O1 ZINC000095989613 568677502 /nfs/dbraw/zinc/67/75/02/568677502.db2.gz HVERKECGXIJZEN-VPZZIHKRSA-N -1 0 410.492 1.468 50 0 HDAARM COC(=O)C[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)c1c([O-])nc2ccccn2c1=O ZINC000096116124 568695594 /nfs/dbraw/zinc/69/55/94/568695594.db2.gz KOKYSSKVKWIWPP-AWEZNQCLSA-N -1 0 421.409 1.945 50 0 biogenic HDAARM COC(=O)C[C@H](c1ccc(OC)cc1OC)c1c(O)cc(C)n(CC(=O)[O-])c1=O ZINC000096221157 568704957 /nfs/dbraw/zinc/70/49/57/568704957.db2.gz RDZWYWQFCHCAIJ-CQSZACIVSA-N -1 0 405.403 1.659 50 0 biogenic HDAARM COC(=O)C[C@H](c1ccc(OC)c(OC)c1)c1c(O)cc(C)n(CC(=O)[O-])c1=O ZINC000096222273 568705461 /nfs/dbraw/zinc/70/54/61/568705461.db2.gz XYNDAPOZMKCVEQ-CYBMUJFWSA-N -1 0 405.403 1.659 50 0 biogenic HDAARM COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2ccc(C(=O)[O-])cc2)o1 ZINC000096222728 568705784 /nfs/dbraw/zinc/70/57/84/568705784.db2.gz YWIWVKPLKOWQJA-MRXNPFEDSA-N -1 0 417.414 1.571 50 0 biogenic HDAARM CCOC(=O)CNC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000096326956 568734902 /nfs/dbraw/zinc/73/49/02/568734902.db2.gz DXTDCCDLQRQIEC-UHFFFAOYSA-N -1 0 400.844 1.465 50 0 HDAARM COc1cc(=O)n(C)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000225650964 568778147 /nfs/dbraw/zinc/77/81/47/568778147.db2.gz GXEDXOYIYGOXQI-UHFFFAOYSA-N -1 0 420.472 1.904 50 0 HDAARM CCn1cc([N-]S(=O)(=O)c2cnn(CC)c2C)c(C(=O)NCc2ccco2)n1 ZINC000002804892 568811610 /nfs/dbraw/zinc/81/16/10/568811610.db2.gz KTLLJYRHUTZRMM-UHFFFAOYSA-N -1 0 406.468 1.752 50 0 HDAARM CCn1cc(S(=O)(=O)[N-]c2cnn(CC)c2C(=O)Nc2cnn(C)c2C)c(C)n1 ZINC000002804768 568811633 /nfs/dbraw/zinc/81/16/33/568811633.db2.gz JUXUJBADCNRYGJ-UHFFFAOYSA-N -1 0 420.499 1.523 50 0 HDAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000012548543 568851733 /nfs/dbraw/zinc/85/17/33/568851733.db2.gz HBPFUBRFFONGLT-QGZVFWFLSA-N -1 0 424.438 1.998 50 0 HDAARM COc1ccc(CCn2c(S[C@H](C)C(=O)[O-])nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000012550301 568852882 /nfs/dbraw/zinc/85/28/82/568852882.db2.gz CMOQXHGOXLDRNB-LLVKDONJSA-N -1 0 418.475 1.250 50 0 HDAARM CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000003359216 568887372 /nfs/dbraw/zinc/88/73/72/568887372.db2.gz DFQZQDSQFUJUKM-NSHDSACASA-N -1 0 418.269 1.545 50 0 HDAARM CCOC(=O)C1=C([O-])C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccccc1F ZINC000001251192 568908802 /nfs/dbraw/zinc/90/88/02/568908802.db2.gz AZKCZMSDMLGAMJ-MRXNPFEDSA-N -1 0 420.418 1.936 50 0 HDAARM CSCC[C@@H](NC(=O)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)C(=O)[O-] ZINC000004090229 568942047 /nfs/dbraw/zinc/94/20/47/568942047.db2.gz IXIQDHNIVFMVMX-CABCVRRESA-N -1 0 405.476 1.088 50 0 biogenic HDAARM C[C@@H](O)[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)[O-] ZINC000012759586 568943815 /nfs/dbraw/zinc/94/38/15/568943815.db2.gz MSSFQSFLLSFCLX-QMTHXVAHSA-N -1 0 404.872 1.078 50 0 HDAARM Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000012769880 568950797 /nfs/dbraw/zinc/95/07/97/568950797.db2.gz XXEHLHHGUBQSAY-UHFFFAOYSA-N -1 0 411.505 1.075 50 0 HDAARM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCCCCC(=O)[O-])cc2)C[C@@H](C)O1 ZINC000008429595 569002768 /nfs/dbraw/zinc/00/27/68/569002768.db2.gz DPUQHYIWZUDIBC-HUUCEWRRSA-N -1 0 412.508 1.859 50 0 HDAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)C[C@H]3CCS(=O)(=O)C3)cc2)n1 ZINC000006142976 569014357 /nfs/dbraw/zinc/01/43/57/569014357.db2.gz HVJIYCRZBVCLRD-CYBMUJFWSA-N -1 0 424.504 1.349 50 0 HDAARM Cc1c(C)c2ccc(OCC(=O)NCC(=O)N[C@@H](C(=O)[O-])C(C)C)c(C)c2oc1=O ZINC000006232614 569033764 /nfs/dbraw/zinc/03/37/64/569033764.db2.gz KUEHKSIHFJBNGY-GOSISDBHSA-N -1 0 418.446 1.439 50 0 HDAARM CCS(=O)(=O)Nc1cnc(N(C)CCCc2c(C)nn(C)c2C)c(C(=O)[O-])c1 ZINC000035397763 569035000 /nfs/dbraw/zinc/03/50/00/569035000.db2.gz KZIXVCXKFNMQQK-UHFFFAOYSA-N -1 0 409.512 1.961 50 0 HDAARM COC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1n[nH]c(=O)[n-]c1=O)CCCC2 ZINC000001747327 569051762 /nfs/dbraw/zinc/05/17/62/569051762.db2.gz VSNSBDJXUJCIEG-ZETCQYMHSA-N -1 0 410.477 1.304 50 0 HDAARM Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-] ZINC000003875439 569060684 /nfs/dbraw/zinc/06/06/84/569060684.db2.gz UWYHMGVUTGAWSP-JKIFEVAISA-N -1 0 401.444 1.895 50 0 biogenic,fda HDAARM CC(C)CNC(=O)CN1CCN(c2ccc(NC(=O)C(C)C)c(C(=O)[O-])c2)CC1 ZINC000064589724 569069018 /nfs/dbraw/zinc/06/90/18/569069018.db2.gz MNTOAQWEQKVYPW-UHFFFAOYSA-N -1 0 404.511 1.874 50 0 HDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000006677940 569087359 /nfs/dbraw/zinc/08/73/59/569087359.db2.gz LZHJOSWUSFJCEN-CQSZACIVSA-N -1 0 401.444 1.503 50 0 HDAARM CCN1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)CCC(=O)[O-])cc32)CC1 ZINC000036353241 569147668 /nfs/dbraw/zinc/14/76/68/569147668.db2.gz SFQXIEFMCONWHB-IBGZPJMESA-N -1 0 402.451 1.734 50 0 HDAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(c3ncccn3)CC2)c2ccc(F)cc21 ZINC000036357123 569148813 /nfs/dbraw/zinc/14/88/13/569148813.db2.gz JLWCIAIMSGGOTM-SFHVURJKSA-N -1 0 413.409 1.603 50 0 HDAARM CCN1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)/C=C/C(=O)[O-])cc32)CC1 ZINC000036359554 569151598 /nfs/dbraw/zinc/15/15/98/569151598.db2.gz LDPNYSRTWGLLSI-UEKDZROGSA-N -1 0 400.435 1.510 50 0 HDAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc3c(cc2C)n(C)c(=O)c(=O)n3C)c1 ZINC000006913825 569179797 /nfs/dbraw/zinc/17/97/97/569179797.db2.gz KAQJSTSHSREYNC-UHFFFAOYSA-N -1 0 419.459 1.364 50 0 HDAARM Cn1c2nc(N[C@@H](Cc3ccccc3)C(=O)[O-])n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000170624351 569249464 /nfs/dbraw/zinc/24/94/64/569249464.db2.gz DBLUDUQXVRDKJH-INIZCTEOSA-N -1 0 419.441 1.579 50 0 HDAARM CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2ccc(O)cc2oc1=O)C(=O)[O-] ZINC000002108406 569283698 /nfs/dbraw/zinc/28/36/98/569283698.db2.gz IIZWEFCOOOTQDQ-MGNBDDOMSA-N -1 0 404.419 1.081 50 0 biogenic HDAARM Cc1c(C)c2ccc(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)cc2oc1=O ZINC000002122679 569285638 /nfs/dbraw/zinc/28/56/38/569285638.db2.gz YSOMCYDDGKUNHH-SFHVURJKSA-N -1 0 404.419 1.130 50 0 biogenic HDAARM O=C(NC[C@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000007728545 569303783 /nfs/dbraw/zinc/30/37/83/569303783.db2.gz ZSYUODCJOKKMGX-CQSZACIVSA-N -1 0 415.471 1.891 50 0 HDAARM C[C@]12CC[C@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C(=O)[O-])[C@]1(O)CC[C@H]2C1=CC(=O)OC1 ZINC000253498223 569382079 /nfs/dbraw/zinc/38/20/79/569382079.db2.gz XJIILRFVONGQOG-MBESUSCFSA-N -1 0 420.502 1.784 50 0 biogenic HDAARM C[C@@H](OC[C@H]1CCCCO1)C(=O)N1CCc2nc([N-]S(C)(=O)=O)sc2C1 ZINC000328592204 569415332 /nfs/dbraw/zinc/41/53/32/569415332.db2.gz MIPJVWGRWNQLKN-VXGBXAGGSA-N -1 0 403.526 1.374 50 0 HDAARM CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)c2ccccc2n(C)c1=O)C(=O)[O-] ZINC000008790231 571119845 /nfs/dbraw/zinc/11/98/45/571119845.db2.gz QHKMPTBAXJYVEG-OALUTQOASA-N -1 0 423.469 1.709 50 0 biogenic HDAARM CNC(=S)N1NC(=C2C(=O)[N-]C(=O)N(CCCOC)C2=O)C[C@@H]1c1ccccc1 ZINC000008995306 571208568 /nfs/dbraw/zinc/20/85/68/571208568.db2.gz HCOSGTQDUURBEV-JNINTMOKSA-N -1 0 417.491 1.652 50 0 HDAARM C/C=C\c1ccc(OCC(=O)[N-]S(=O)(=O)c2ccc3n[nH]nc3c2)c(OC)c1 ZINC000606443933 1075981982 /nfs/dbraw/zinc/98/19/82/1075981982.db2.gz JYGATWQDZAXMCS-ARJAWSKDSA-N -1 0 402.432 1.884 50 0 HDAARM CCS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)[O-])O2 ZINC000005673614 132307441 /nfs/dbraw/zinc/30/74/41/132307441.db2.gz MOUSEADPKSDKPQ-MRXNPFEDSA-N -1 0 411.457 1.521 50 0 HDAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1CCNC(=O)C1 ZINC000008720248 132332538 /nfs/dbraw/zinc/33/25/38/132332538.db2.gz GOGCLFJJBCGHTI-UHFFFAOYSA-N -1 0 415.450 1.814 50 0 HDAARM CCS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1cccs1)C[C@H](C(=O)[O-])O2 ZINC000012860697 132367891 /nfs/dbraw/zinc/36/78/91/132367891.db2.gz SZCKSKLQRXRBHA-CYBMUJFWSA-N -1 0 417.486 1.583 50 0 HDAARM CC(C)CNC(=O)CN1CCN(c2ccc(NC(=O)C3CC3)c(C(=O)[O-])c2)CC1 ZINC000035482699 132802178 /nfs/dbraw/zinc/80/21/78/132802178.db2.gz KZVJQZDWRLTRHP-UHFFFAOYSA-N -1 0 402.495 1.628 50 0 HDAARM CCc1nnc(NC(=O)CSc2sc3c([nH]c(=O)cc3[O-])c2C(N)=O)s1 ZINC000044893147 522765395 /nfs/dbraw/zinc/76/53/95/522765395.db2.gz WFEXNQBIYWXZNR-UHFFFAOYSA-N -1 0 411.490 1.539 50 0 HDAARM C[C@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CCO1 ZINC000032904508 524541832 /nfs/dbraw/zinc/54/18/32/524541832.db2.gz LTFOTBUBUXSQIN-LBPRGKRZSA-N -1 0 416.459 1.518 50 0 HDAARM Cc1nc(SC(F)F)[n-]c(=O)c1CCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000032902490 527014642 /nfs/dbraw/zinc/01/46/42/527014642.db2.gz CRBOJAAOEWSHMN-UHFFFAOYSA-N -1 0 400.451 1.819 50 0 HDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000002972421 557433036 /nfs/dbraw/zinc/43/30/36/557433036.db2.gz NPTWVLPDBWFWFT-UHFFFAOYSA-N -1 0 412.445 1.083 50 0 HDAARM CC(=O)SC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000003775143 557498602 /nfs/dbraw/zinc/49/86/02/557498602.db2.gz FHHHOYXPRDYHEZ-COXVUDFISA-N -1 0 406.504 1.705 50 0 in-man HDAARM COc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000004520606 557563119 /nfs/dbraw/zinc/56/31/19/557563119.db2.gz ZDAYNBZMJXGVQW-AWEZNQCLSA-N -1 0 406.416 1.520 50 0 HDAARM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c2c1 ZINC000020715128 558400898 /nfs/dbraw/zinc/40/08/98/558400898.db2.gz CVOQQXZBZJLKIW-SCLBCKFNSA-N -1 0 407.492 1.107 50 0 HDAARM CSCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C)C(=O)[O-] ZINC000012794453 558467675 /nfs/dbraw/zinc/46/76/75/558467675.db2.gz UJZFQJLJAYWSCW-OAHLLOKOSA-N -1 0 400.522 1.716 50 0 HDAARM Cc1nn(C)c2ncc([N-]S(=O)(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc12 ZINC000022959351 558527979 /nfs/dbraw/zinc/52/79/79/558527979.db2.gz PJTLVZUTCYGQEY-UHFFFAOYSA-N -1 0 409.493 1.328 50 0 HDAARM COC(=O)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000024348522 558595570 /nfs/dbraw/zinc/59/55/70/558595570.db2.gz GUKVDGGKCWQSCP-UHFFFAOYSA-N -1 0 420.443 1.787 50 0 HDAARM Cc1ccc(CNC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1 ZINC000004484001 558603325 /nfs/dbraw/zinc/60/33/25/558603325.db2.gz XFEABLRCPMGQEW-QZTJIDSGSA-N -1 0 413.384 1.883 50 0 HDAARM C[C@@H]1CNC(=O)CCN1C(=O)c1cnc(COc2ccc(C(C)(C)C)cc2)[nH]c1=O ZINC000092038166 559075310 /nfs/dbraw/zinc/07/53/10/559075310.db2.gz WAQANKRZMFLYGD-CQSZACIVSA-N -1 0 412.490 1.997 50 0 HDAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000011691482 559182206 /nfs/dbraw/zinc/18/22/06/559182206.db2.gz RNGOMKZNIDCTTR-INIZCTEOSA-N -1 0 400.416 1.312 50 0 HDAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000011691481 559182258 /nfs/dbraw/zinc/18/22/58/559182258.db2.gz RNGOMKZNIDCTTR-MRXNPFEDSA-N -1 0 400.416 1.312 50 0 HDAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100568218 559228521 /nfs/dbraw/zinc/22/85/21/559228521.db2.gz VKYJUMVBVMBKBV-AAEUAGOBSA-N -1 0 408.208 1.088 50 0 HDAARM O=C([O-])CSc1c2c(nc3cc(C(=O)NCCN4CCOCC4)ccc31)CCC2 ZINC000005035126 559232867 /nfs/dbraw/zinc/23/28/67/559232867.db2.gz SYPZFOQBUJDDPX-UHFFFAOYSA-N -1 0 415.515 1.962 50 0 HDAARM COc1ccccc1[N-]S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C ZINC000011858282 559263029 /nfs/dbraw/zinc/26/30/29/559263029.db2.gz JMGVBPWEWWKIPN-UHFFFAOYSA-N -1 0 410.473 1.871 50 0 HDAARM CC[C@H](C)[C@@H](NC(=O)CNC(=O)Cc1c(C)c2ccc(O)cc2oc1=O)C(=O)[O-] ZINC000011865614 559263792 /nfs/dbraw/zinc/26/37/92/559263792.db2.gz IIZWEFCOOOTQDQ-XTZNXHDOSA-N -1 0 404.419 1.081 50 0 HDAARM COc1cc2c(cc1OC)CN(Cc1coc([O-])c(CN3CCOCC3)c1=O)CC2 ZINC000100796325 559268232 /nfs/dbraw/zinc/26/82/32/559268232.db2.gz SPNYQJLTFKBGJU-UHFFFAOYSA-N -1 0 416.474 1.753 50 0 biogenic HDAARM COc1ccc2cnn(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(=O)c2c1OC ZINC000061717671 559292513 /nfs/dbraw/zinc/29/25/13/559292513.db2.gz QSSRPRGOBJUZAI-HNNXBMFYSA-N -1 0 411.414 1.226 50 0 HDAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc5c(c4)OCCO5)c(=O)c2=3)c1 ZINC000101352872 560792023 /nfs/dbraw/zinc/79/20/23/560792023.db2.gz JYUWGTBSGDCYPM-RBUKOAKNSA-N -1 0 421.413 1.698 50 0 HDAARM COc1ccccc1-n1c(=O)[nH]c([O-])c(C2=NN(C(C)=O)[C@H](c3cccnc3)C2)c1=O ZINC000101455665 560795178 /nfs/dbraw/zinc/79/51/78/560795178.db2.gz KXLCPWOELYEOSM-INIZCTEOSA-N -1 0 421.413 1.333 50 0 HDAARM COc1cc([C@@H]2CC(c3c([O-])n(Cc4ccccc4)c(=O)[nH]c3=O)=NN2)ccc1O ZINC000101762368 560800514 /nfs/dbraw/zinc/80/05/14/560800514.db2.gz MMXUYRYERHCGGQ-AWEZNQCLSA-N -1 0 408.414 1.443 50 0 HDAARM COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000012201289 560891701 /nfs/dbraw/zinc/89/17/01/560891701.db2.gz OSBOFEWSLKXNGT-UHFFFAOYSA-N -1 0 403.416 1.248 50 0 HDAARM COc1ccc(CN2CCN(S(=O)(=O)c3ccc(CC(=O)[O-])s3)CC2)cc1 ZINC000049592576 568452427 /nfs/dbraw/zinc/45/24/27/568452427.db2.gz ROKMHDAJCGEXMY-UHFFFAOYSA-N -1 0 410.517 1.890 50 0 HDAARM O=C([O-])Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)s1 ZINC000049600885 568452506 /nfs/dbraw/zinc/45/25/06/568452506.db2.gz UJMBBYBCAIVJSW-UHFFFAOYSA-N -1 0 424.500 1.610 50 0 HDAARM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@](C)(COc1ccccc1)C(=O)[O-] ZINC000095424632 568607731 /nfs/dbraw/zinc/60/77/31/568607731.db2.gz VUXIVPKESNOPTG-RBZFPXEDSA-N -1 0 415.402 1.752 50 0 HDAARM Cn1cc(S(=O)(=O)[N-]c2cc3c(cc2Br)NC(=O)CO3)nc1Cl ZINC000095428140 568608287 /nfs/dbraw/zinc/60/82/87/568608287.db2.gz UDGARJFHVNVAKP-UHFFFAOYSA-N -1 0 421.660 1.968 50 0 HDAARM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)o1 ZINC000225525996 568647335 /nfs/dbraw/zinc/64/73/35/568647335.db2.gz NSSOAFBAUPXADX-UHFFFAOYSA-N -1 0 406.869 1.610 50 0 HDAARM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1n[nH]cc1C(N)=O ZINC000095941741 568662303 /nfs/dbraw/zinc/66/23/03/568662303.db2.gz NQWPQXPUWDGPIL-UHFFFAOYSA-N -1 0 409.649 1.734 50 0 HDAARM COc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCOCC2)cc1 ZINC000021154228 568673117 /nfs/dbraw/zinc/67/31/17/568673117.db2.gz RYEDUHYCQCBVQG-UHFFFAOYSA-N -1 0 407.492 1.924 50 0 HDAARM Cc1nc(Cn2nnc([N-]S(=O)(=O)c3cnn(Cc4ccccc4)c3)c2C)no1 ZINC000240551368 568730310 /nfs/dbraw/zinc/73/03/10/568730310.db2.gz GTDZNVBVEJHKPL-UHFFFAOYSA-N -1 0 414.451 1.372 50 0 HDAARM COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(CCO)CC2)cc1 ZINC000022458928 568768162 /nfs/dbraw/zinc/76/81/62/568768162.db2.gz BJYHHWOLMSYMQT-INIZCTEOSA-N -1 0 403.508 1.513 50 0 HDAARM O=C(C[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCc1ccc2c(c1)OCO2 ZINC000002966912 568831187 /nfs/dbraw/zinc/83/11/87/568831187.db2.gz ZNLHWQWIPZDJON-CQSZACIVSA-N -1 0 408.439 1.790 50 0 HDAARM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2ccc(-n3cnnn3)cc2)c1 ZINC000012557293 568856488 /nfs/dbraw/zinc/85/64/88/568856488.db2.gz NBOVDIUMVUTOSP-UHFFFAOYSA-N -1 0 417.403 1.036 50 0 HDAARM Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000004027381 568878359 /nfs/dbraw/zinc/87/83/59/568878359.db2.gz HTLRYYNFDBTEER-RBUKOAKNSA-N -1 0 416.499 1.960 50 0 biogenic HDAARM CCOC(=O)c1c[nH]c(=O)c([C@H](CC(=O)[O-])c2cc(OC)c(OC)cc2OC)c1O ZINC000217735593 568908879 /nfs/dbraw/zinc/90/88/79/568908879.db2.gz ROCLNEOFGZEHOC-LLVKDONJSA-N -1 0 421.402 1.890 50 0 biogenic HDAARM COC(=O)C[C@@H](c1cc2c(c(OC)c1)OCO2)c1c(O)cc(C)n(CC(=O)[O-])c1=O ZINC000217819064 568913971 /nfs/dbraw/zinc/91/39/71/568913971.db2.gz IGPSLYMBHNARGV-LBPRGKRZSA-N -1 0 419.386 1.379 50 0 biogenic HDAARM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC000004073737 568937968 /nfs/dbraw/zinc/93/79/68/568937968.db2.gz PCGHWSZFMSNTBT-YDHLFZDLSA-N -1 0 413.515 1.754 50 0 biogenic HDAARM C[C@@H](O)[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)[O-] ZINC000012759596 568943745 /nfs/dbraw/zinc/94/37/45/568943745.db2.gz MSSFQSFLLSFCLX-YGRLFVJLSA-N -1 0 404.872 1.078 50 0 HDAARM C[C@H](O)[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)[O-] ZINC000012759590 568943882 /nfs/dbraw/zinc/94/38/82/568943882.db2.gz MSSFQSFLLSFCLX-IINYFYTJSA-N -1 0 404.872 1.078 50 0 HDAARM CSCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)C(=O)[O-] ZINC000008273411 568986564 /nfs/dbraw/zinc/98/65/64/568986564.db2.gz ONMLGASLQDAQCO-GFCCVEGCSA-N -1 0 406.551 1.471 50 0 HDAARM COCCNC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1 ZINC000012875141 569013601 /nfs/dbraw/zinc/01/36/01/569013601.db2.gz ODZOTOHXSMFFSX-HNNXBMFYSA-N -1 0 404.492 1.485 50 0 HDAARM COC(=O)CCCCC(=O)[N-]S(=O)(=O)NCc1cccc(Br)c1 ZINC000575629714 569033523 /nfs/dbraw/zinc/03/35/23/569033523.db2.gz AAKWKKLWPGBBHD-UHFFFAOYSA-N -1 0 407.286 1.633 50 0 HDAARM COc1ccc(OC)c([C@@H]2[NH2+][C@H](C(=O)[O-])[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)c1 ZINC000245246824 569055359 /nfs/dbraw/zinc/05/53/59/569055359.db2.gz PDDAKTMCYSHELE-MHORFTMASA-N -1 0 414.389 1.746 50 0 HDAARM COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2cccnc2)c1 ZINC000006577946 569066909 /nfs/dbraw/zinc/06/69/09/569066909.db2.gz NKBPDXYDFHIVKQ-UHFFFAOYSA-N -1 0 422.470 1.931 50 0 aggregator HDAARM COC(=O)[C@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1 ZINC000006577725 569066937 /nfs/dbraw/zinc/06/69/37/569066937.db2.gz MRCNDDUCNRIRIX-VIFPVBQESA-N -1 0 421.866 1.542 50 0 HDAARM CC[C@@H](C)[C@@H](NC(=O)CNC(=O)COc1cc(C)cc2oc(=O)cc(C)c12)C(=O)[O-] ZINC000006678262 569087347 /nfs/dbraw/zinc/08/73/47/569087347.db2.gz GBQJOVPYTAIKPU-MPBGBICISA-N -1 0 418.446 1.520 50 0 HDAARM CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])N1CCN(S(C)(=O)=O)CC1 ZINC000036360667 569151966 /nfs/dbraw/zinc/15/19/66/569151966.db2.gz SBNNBKAHKMJVMA-QGZVFWFLSA-N -1 0 422.507 1.465 50 0 HDAARM COc1ccc([C@@H](CC(=O)NCCO)c2c([O-])cc(C)oc2=O)c(OC)c1OC ZINC000253414055 569366819 /nfs/dbraw/zinc/36/68/19/569366819.db2.gz WIHWITFYEPQNPV-CYBMUJFWSA-N -1 0 407.419 1.310 50 0 biogenic HDAARM CC[C@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000012867126 569404305 /nfs/dbraw/zinc/40/43/05/569404305.db2.gz ZMCOUYZPCKUSGO-YDHLFZDLSA-N -1 0 413.515 1.754 50 0 biogenic HDAARM CNC(=S)N1NC(=C2C(=O)[N-]C(=O)N(CCCOC)C2=O)C[C@H]1c1ccccc1 ZINC000008995305 571208548 /nfs/dbraw/zinc/20/85/48/571208548.db2.gz HCOSGTQDUURBEV-RHIYTYFCSA-N -1 0 417.491 1.652 50 0 HDAARM COCCCN1C(=O)[N-]C(=O)C(=C2C[C@H](c3ccc(OC)c(OC)c3)NN2)C1=O ZINC000009045919 571215640 /nfs/dbraw/zinc/21/56/40/571215640.db2.gz URWITPLVQVNSIX-CZWGUHTPSA-N -1 0 404.423 1.452 50 0 HDAARM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)N1C(=O)CCC1=O ZINC000009096297 571220889 /nfs/dbraw/zinc/22/08/89/571220889.db2.gz ICGVWZAEQHJWQL-SNVBAGLBSA-N -1 0 408.461 1.420 50 0 HDAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O ZINC000009356716 571251244 /nfs/dbraw/zinc/25/12/44/571251244.db2.gz QCFIVXOPFGHANN-ROUUACIJSA-N -1 0 407.426 1.549 50 0 biogenic HDAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)NCCNC(=O)c1ccncc1 ZINC000009419580 571256694 /nfs/dbraw/zinc/25/66/94/571256694.db2.gz PPDVWKVTWXCQLU-UHFFFAOYSA-N -1 0 415.833 1.944 50 0 HDAARM O=C(NCc1nc2ccccc2[nH]1)c1cnc([O-])n(Cc2ccc3c(c2)OCO3)c1=O ZINC000077099329 571310970 /nfs/dbraw/zinc/31/09/70/571310970.db2.gz WIQFONGGMOUKEB-UHFFFAOYSA-N -1 0 419.397 1.532 50 0 HDAARM Cn1nnn(-c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)c1=O ZINC000077100115 571311173 /nfs/dbraw/zinc/31/11/73/571311173.db2.gz XXRWBQODXNWJSO-UHFFFAOYSA-N -1 0 416.282 1.591 50 0 HDAARM COc1ccc(Br)c(C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)cc2)c1 ZINC000042312242 523480970 /nfs/dbraw/zinc/48/09/70/523480970.db2.gz OMMWIHVROSTZIS-UHFFFAOYSA-N -1 0 413.249 1.675 50 0 HDAARM CS(=O)(=O)N1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(Br)cc32)CC1 ZINC000032092242 525177154 /nfs/dbraw/zinc/17/71/54/525177154.db2.gz OGAWKFWBTXQABY-AWEZNQCLSA-N -1 0 416.297 1.633 50 0 HDAARM O=C([N-]S(=O)(=O)c1ccc(Br)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000042234562 526852322 /nfs/dbraw/zinc/85/23/22/526852322.db2.gz DJZHQCJVYNBWHI-UHFFFAOYSA-N -1 0 411.233 1.899 50 0 HDAARM O=C([O-])CNC(=O)CNC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21 ZINC000040312538 527611492 /nfs/dbraw/zinc/61/14/92/527611492.db2.gz LBNYIIYDZRUTRK-UHFFFAOYSA-N -1 0 409.442 1.927 50 0 biogenic HDAARM CN1CCN(C(=O)c2nc3n(n2)-c2ccccc2S(=O)(=O)[N-]3)[C@@H](c2ccccc2)C1 ZINC000071890341 557314656 /nfs/dbraw/zinc/31/46/56/557314656.db2.gz DENIEGXIZCYOIR-MRXNPFEDSA-N -1 0 424.486 1.510 50 0 HDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)Cc2ccccc2)cc1 ZINC000004696283 557582521 /nfs/dbraw/zinc/58/25/21/557582521.db2.gz VBLWYBKABKNJTI-UHFFFAOYSA-N -1 0 410.473 1.065 50 0 HDAARM COC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000004751813 557593018 /nfs/dbraw/zinc/59/30/18/557593018.db2.gz JAYQIWBUCLCWLE-UHFFFAOYSA-N -1 0 405.432 1.473 50 0 HDAARM Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])CC2)c1 ZINC000006741134 557718439 /nfs/dbraw/zinc/71/84/39/557718439.db2.gz CULVBXDNGNCMOW-IAGOWNOFSA-N -1 0 406.504 1.803 50 0 HDAARM CCOC(=O)c1ccc(NC(=O)[C@@H](C)SC2=NC(=O)C(NC(C)=O)C([O-])=N2)cc1 ZINC000010059007 557854592 /nfs/dbraw/zinc/85/45/92/557854592.db2.gz YVVHOSPYNDWZTM-SECBINFHSA-N -1 0 420.447 1.730 50 0 HDAARM CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)[O-] ZINC000011767108 558273884 /nfs/dbraw/zinc/27/38/84/558273884.db2.gz HXZOBIAOZCNCQG-XEZPLFJOSA-N -1 0 400.472 1.842 50 0 HDAARM C[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)NCC(=O)NCC(=O)[O-] ZINC000011866745 558290032 /nfs/dbraw/zinc/29/00/32/558290032.db2.gz XYHGBQOWOKTEFX-CYBMUJFWSA-N -1 0 424.409 1.544 50 0 HDAARM CCC(NCCCN1CCOCC1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000020267149 558352771 /nfs/dbraw/zinc/35/27/71/558352771.db2.gz GHVUQHQCBNBXRF-FBMGVBCBSA-N -1 0 400.479 1.554 50 0 HDAARM O=C([O-])c1cc(S(=O)(=O)NCc2nnc3ccccn32)ccc1Br ZINC000012859621 558481031 /nfs/dbraw/zinc/48/10/31/558481031.db2.gz RHQXYOUHAVJMJM-UHFFFAOYSA-N -1 0 411.237 1.669 50 0 HDAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1cc(=O)n2ccccc2n1 ZINC000013236780 558527681 /nfs/dbraw/zinc/52/76/81/558527681.db2.gz HYUGMXZKMZDHIB-QGZVFWFLSA-N -1 0 405.414 1.671 50 0 HDAARM CCc1c2c(cc(=O)n1CCCN1CCOCC1)[n-]n(-c1ccc(F)cc1)c2=O ZINC000013957597 558607968 /nfs/dbraw/zinc/60/79/68/558607968.db2.gz DKRLZUYJVLRNKH-UHFFFAOYSA-N -1 0 400.454 1.904 50 0 HDAARM Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1 ZINC000014256778 558651340 /nfs/dbraw/zinc/65/13/40/558651340.db2.gz SOUFQNGGQZBQER-UHFFFAOYSA-N -1 0 406.489 1.937 50 0 HDAARM COc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000014360265 558653253 /nfs/dbraw/zinc/65/32/53/558653253.db2.gz LDTQBHSZUTTWGZ-UHFFFAOYSA-N -1 0 420.443 1.667 50 0 HDAARM CCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(=O)c3c(C)nn(C)c3[n-]2)cc1 ZINC000072306960 558766351 /nfs/dbraw/zinc/76/63/51/558766351.db2.gz BIGXLHKIPYPGDT-UHFFFAOYSA-N -1 0 403.464 1.974 50 0 HDAARM Cn1cc(C(=O)[O-])c(C(=O)N2CCN(c3nc(C4CC4)cc(C(F)(F)F)n3)CC2)n1 ZINC000013645032 558831460 /nfs/dbraw/zinc/83/14/60/558831460.db2.gz SNGUMHXXDPKJKK-UHFFFAOYSA-N -1 0 424.383 1.767 50 0 HDAARM Cc1csc(=O)n1CCOc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)[O-] ZINC000058066333 558897800 /nfs/dbraw/zinc/89/78/00/558897800.db2.gz HKNKAMMMOLBFGD-UHFFFAOYSA-N -1 0 412.489 1.780 50 0 HDAARM COC(=O)[C@H](NC(=O)N1CCc2c(nc3cc(-c4ccccc4)[n-]n3c2=O)C1)C(C)C ZINC000097096990 558992150 /nfs/dbraw/zinc/99/21/50/558992150.db2.gz LQZRURDKCCJDMT-LJQANCHMSA-N -1 0 423.473 1.955 50 0 HDAARM NC(=O)C1(C(=O)N2CCc3cc(S(=O)(=O)[N-]c4cccnc4)ccc3C2)CC1 ZINC000077377782 559002708 /nfs/dbraw/zinc/00/27/08/559002708.db2.gz GHXOUVWOWKMRFX-UHFFFAOYSA-N -1 0 400.460 1.033 50 0 HDAARM Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccccc1 ZINC000033330795 559061850 /nfs/dbraw/zinc/06/18/50/559061850.db2.gz YCQZTYMFPUSJHV-UHFFFAOYSA-N -1 0 414.443 1.102 50 0 HDAARM CCc1ccc(NC(=O)NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1 ZINC000098212483 559127686 /nfs/dbraw/zinc/12/76/86/559127686.db2.gz GIVPNWVZJVPCQT-ZWKOTPCHSA-N -1 0 420.429 1.891 50 0 HDAARM CC(C)[C@H](NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O)C(=O)[O-] ZINC000061717460 559292659 /nfs/dbraw/zinc/29/26/59/559292659.db2.gz MMNRNYVMKDMDKQ-INIZCTEOSA-N -1 0 408.252 1.898 50 0 HDAARM COc1ccccc1OCCN1c2ccccc2[C@@](O)(c2sc(N)nc2O)C1=O ZINC000017879068 560729836 /nfs/dbraw/zinc/72/98/36/560729836.db2.gz KSOZHLBFYIVQKG-OXJNMPFZSA-N -1 0 413.455 1.265 50 0 HDAARM COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1 ZINC000101169244 560787626 /nfs/dbraw/zinc/78/76/26/560787626.db2.gz BZHWFDOPDJTJEV-DLBZAZTESA-N -1 0 415.356 1.905 50 0 HDAARM COc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2 ZINC000101169243 560787647 /nfs/dbraw/zinc/78/76/47/560787647.db2.gz QWTSRTRJIVRKTH-SJORKVTESA-N -1 0 415.356 1.905 50 0 HDAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1 ZINC000101169028 560787661 /nfs/dbraw/zinc/78/76/61/560787661.db2.gz PDXLTVBMVKESBV-DLBZAZTESA-N -1 0 415.356 1.905 50 0 HDAARM COc1ccc([C@H]2CC(c3c([O-])n(Cc4ccccc4)c(=O)[nH]c3=O)=NN2)cc1O ZINC000101762445 560800764 /nfs/dbraw/zinc/80/07/64/560800764.db2.gz PTEYDDBFGPNNRG-CQSZACIVSA-N -1 0 408.414 1.443 50 0 HDAARM COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccccc4C)c3=O)=NN2)c(OC)c1 ZINC000101762924 560800797 /nfs/dbraw/zinc/80/07/97/560800797.db2.gz BTFWQSOALLCRPD-HNNXBMFYSA-N -1 0 422.441 1.996 50 0 HDAARM COC(=O)c1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(C)cc3)c(=O)c1=2 ZINC000103085952 560837725 /nfs/dbraw/zinc/83/77/25/560837725.db2.gz QQBAHDQDWAKECP-MSOLQXFVSA-N -1 0 421.413 1.714 50 0 HDAARM COc1ccccc1N1CCN(C(=O)CC[C@@]2(CCC(=O)[O-])CCC(=O)N2)CC1 ZINC000218591184 568482124 /nfs/dbraw/zinc/48/21/24/568482124.db2.gz LHWFQTLJYQKKKE-OAQYLSRUSA-N -1 0 403.479 1.638 50 0 HDAARM COc1cccc(CCC(=O)N2CCN(c3nc4nc(C5CC5)cc(=O)n4[n-]3)CC2)c1 ZINC000390827657 568490350 /nfs/dbraw/zinc/49/03/50/568490350.db2.gz IPEOKQXUPGOTKE-UHFFFAOYSA-N -1 0 422.489 1.585 50 0 HDAARM O=C([O-])CC[C@@]1(CCC(=O)N2CCCN(Cc3cccnc3)CC2)CCC(=O)N1 ZINC000222968633 568532684 /nfs/dbraw/zinc/53/26/84/568532684.db2.gz BLWBXHYHQWHXDM-NRFANRHFSA-N -1 0 402.495 1.410 50 0 HDAARM COc1cc2c(cc1OC)[C@@H](c1c([O-])[nH]c(=O)n(-c3ccccc3C)c1=O)NCC2 ZINC000020410521 568605193 /nfs/dbraw/zinc/60/51/93/568605193.db2.gz IMSHIMKZZMQYMF-IBGZPJMESA-N -1 0 409.442 1.792 50 0 biogenic HDAARM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@](C)(COc1ccccc1)C(=O)[O-] ZINC000095424633 568607754 /nfs/dbraw/zinc/60/77/54/568607754.db2.gz VUXIVPKESNOPTG-XCLFUZPHSA-N -1 0 415.402 1.752 50 0 HDAARM Cc1ccc(OCC(=O)Nc2nnc(S(=O)(=O)[N-]C[C@@H]3CCCO3)s2)cc1 ZINC000020486122 568613261 /nfs/dbraw/zinc/61/32/61/568613261.db2.gz APUABARVFGTEIY-ZDUSSCGKSA-N -1 0 412.493 1.321 50 0 HDAARM C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N(CC(=O)[O-])C[C@H]1CCCO1 ZINC000095970206 568671252 /nfs/dbraw/zinc/67/12/52/568671252.db2.gz NFIBPFCDLZFDHF-NXEZZACHSA-N -1 0 419.297 1.721 50 0 HDAARM COc1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCOCC2)c1 ZINC000021154224 568672960 /nfs/dbraw/zinc/67/29/60/568672960.db2.gz SILKASGKCIVWNW-UHFFFAOYSA-N -1 0 407.492 1.924 50 0 HDAARM COC(=O)C[C@H](c1cc2ccccc2n(C)c1=O)c1c([O-])nc2ccccn2c1=O ZINC000096115555 568695356 /nfs/dbraw/zinc/69/53/56/568695356.db2.gz RGZINHJHSUBWNU-CQSZACIVSA-N -1 0 405.410 1.947 50 0 biogenic HDAARM NS(=O)(=O)c1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000096361067 568738971 /nfs/dbraw/zinc/73/89/71/568738971.db2.gz KBVYPUAZEWRZGA-UHFFFAOYSA-N -1 0 421.460 1.110 50 0 HDAARM NC(=O)C1CCN(C(=O)c2cncc([N-]S(=O)(=O)c3ccc(F)cc3)c2)CC1 ZINC000021931214 568761785 /nfs/dbraw/zinc/76/17/85/568761785.db2.gz RROQIMWQBJENAH-UHFFFAOYSA-N -1 0 406.439 1.359 50 0 HDAARM CCCC(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnc(C)s3)CS[C@@H]12 ZINC000002803254 568811353 /nfs/dbraw/zinc/81/13/53/568811353.db2.gz MKMHIATWCCLREP-GWCFXTLKSA-N -1 0 414.534 1.477 50 0 HDAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NCCCc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000670447257 568915821 /nfs/dbraw/zinc/91/58/21/568915821.db2.gz XXQYQMPHQUJMCY-LLVKDONJSA-N -1 0 400.888 1.780 50 0 HDAARM C[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)[O-] ZINC000004084291 568939742 /nfs/dbraw/zinc/93/97/42/568939742.db2.gz PPXBNKSAYXGKND-LOVKBYSESA-N -1 0 405.476 1.129 50 0 biogenic HDAARM C[C@H](O)[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)[O-] ZINC000012759603 568943826 /nfs/dbraw/zinc/94/38/26/568943826.db2.gz MSSFQSFLLSFCLX-HZMBPMFUSA-N -1 0 404.872 1.078 50 0 HDAARM CC1CCN(C(=O)CSc2nc(N)c(NC(=O)c3ccccc3)c(=O)[n-]2)CC1 ZINC000004248882 568953962 /nfs/dbraw/zinc/95/39/62/568953962.db2.gz QMTQSRKDUJCMMI-UHFFFAOYSA-N -1 0 401.492 1.955 50 0 HDAARM C[C@@H](O)[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)C(=O)[O-] ZINC000012912437 569021865 /nfs/dbraw/zinc/02/18/65/569021865.db2.gz AISFTVSOHWTDBU-IAQYHMDHSA-N -1 0 418.899 1.469 50 0 HDAARM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C(N)=O)cc1OC ZINC000089464740 569060719 /nfs/dbraw/zinc/06/07/19/569060719.db2.gz FQBIWQIMGBBBRQ-UHFFFAOYSA-N -1 0 421.475 1.440 50 0 HDAARM COC(=O)c1cn([C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc2c(=O)[nH]nc1-2 ZINC000524731069 569212204 /nfs/dbraw/zinc/21/22/04/569212204.db2.gz JGRSKZMPVWCAJS-CYBMUJFWSA-N -1 0 401.375 1.956 50 0 biogenic HDAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000006731493 569280141 /nfs/dbraw/zinc/28/01/41/569280141.db2.gz FXZBYQWHEGCTQW-VKYMVXLJSA-N -1 0 424.494 1.796 50 0 HDAARM CCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000002121826 569285627 /nfs/dbraw/zinc/28/56/27/569285627.db2.gz XMKHWSPYDQLNOQ-FQEVSTJZSA-N -1 0 418.446 1.466 50 0 biogenic HDAARM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2ccccc2C(=O)OC)c1 ZINC000012605825 569291674 /nfs/dbraw/zinc/29/16/74/569291674.db2.gz IFUDIGOOVAVFTF-UHFFFAOYSA-N -1 0 407.400 1.847 50 0 HDAARM O=C([O-])CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O ZINC000008994584 571208225 /nfs/dbraw/zinc/20/82/25/571208225.db2.gz YWBWPEGGIXLBIM-QGZVFWFLSA-N -1 0 406.398 1.568 50 0 biogenic HDAARM COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1 ZINC000009675163 571278843 /nfs/dbraw/zinc/27/88/43/571278843.db2.gz BZHWFDOPDJTJEV-IRXDYDNUSA-N -1 0 415.356 1.905 50 0 HDAARM COc1ccccc1N1CCN(C(=O)Cc2csc([N-]S(C)(=O)=O)n2)CC1 ZINC000012324151 132358567 /nfs/dbraw/zinc/35/85/67/132358567.db2.gz WUSHTNSJQXKQRF-UHFFFAOYSA-N -1 0 410.521 1.415 50 0 HDAARM CC(=O)N1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)/C=C/C(=O)[O-])cc32)CC1 ZINC000032089640 519590261 /nfs/dbraw/zinc/59/02/61/519590261.db2.gz VCJKRZQWUYIENY-PXPVJAHISA-N -1 0 414.418 1.037 50 0 HDAARM COc1c(-n2nc3ccccc3n2)cc(C)cc1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000041107912 521772391 /nfs/dbraw/zinc/77/23/91/521772391.db2.gz MEERAAAKFXCPEV-OAHLLOKOSA-N -1 0 416.459 1.975 50 0 HDAARM O=C(CSc1nnc([N-]C(=O)c2cc(-c3ccco3)on2)s1)N1CCOCC1 ZINC000048984928 527086684 /nfs/dbraw/zinc/08/66/84/527086684.db2.gz ZLYKBZIUUCZBKN-UHFFFAOYSA-N -1 0 421.460 1.989 50 0 HDAARM COc1cc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)ccc1OCC(N)=O ZINC000004037814 536816106 /nfs/dbraw/zinc/81/61/06/536816106.db2.gz DHTXANYWBYFQRT-UHFFFAOYSA-N -1 0 415.446 1.706 50 0 HDAARM COc1ccc(CN(C(=O)C=CC(=O)[O-])[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000000842647 557097963 /nfs/dbraw/zinc/09/79/63/557097963.db2.gz RLEJWWMLEJMKFX-IENJSVCTSA-N -1 0 408.410 1.997 50 0 HDAARM CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000000951799 557124643 /nfs/dbraw/zinc/12/46/43/557124643.db2.gz ZECAFJMGYGHRQQ-AWEZNQCLSA-N -1 0 417.418 1.484 50 0 HDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)CCc2ccccc2)cc1 ZINC000001130800 557198182 /nfs/dbraw/zinc/19/81/82/557198182.db2.gz KDISJXGRRJQETE-UHFFFAOYSA-N -1 0 405.501 1.957 50 0 HDAARM CCOC(=O)[C@@H]1CCCN(C(=O)CCc2nnc(-c3ccc(OC)cc3)[n-]c2=O)C1 ZINC000034762721 557460424 /nfs/dbraw/zinc/46/04/24/557460424.db2.gz GYPBHYAGZORFAN-OAHLLOKOSA-N -1 0 414.462 1.987 50 0 HDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NCCNc2nccc(C(F)(F)F)n2)cc1 ZINC000003467454 557488993 /nfs/dbraw/zinc/48/89/93/557488993.db2.gz YGBZGHPQCKRAPS-UHFFFAOYSA-N -1 0 403.386 1.904 50 0 HDAARM C[C@H](Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Cl)c1)C(=O)[O-] ZINC000005800235 557675274 /nfs/dbraw/zinc/67/52/74/557675274.db2.gz FDOYQAUJXUVMLF-VIFPVBQESA-N -1 0 408.867 1.701 50 0 biogenic HDAARM C[C@@H](Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Cl)c1)C(=O)[O-] ZINC000005800266 557675310 /nfs/dbraw/zinc/67/53/10/557675310.db2.gz FDOYQAUJXUVMLF-SECBINFHSA-N -1 0 408.867 1.701 50 0 biogenic HDAARM CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)[O-] ZINC000011767085 558273922 /nfs/dbraw/zinc/27/39/22/558273922.db2.gz HXZOBIAOZCNCQG-IOASZLSFSA-N -1 0 400.472 1.842 50 0 HDAARM CCNC(=O)CN1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(Br)cc32)CC1 ZINC000020718043 558402067 /nfs/dbraw/zinc/40/20/67/558402067.db2.gz PDZLZZXUSNTISK-KRWDZBQOSA-N -1 0 423.311 1.810 50 0 HDAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCOCC2)c1 ZINC000012652627 558444006 /nfs/dbraw/zinc/44/40/06/558444006.db2.gz HZQRAFQUWSKMGA-UHFFFAOYSA-N -1 0 410.473 1.808 50 0 HDAARM CCCN(C(=O)CSc1nc2sccc2c(=O)[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000010869021 558515565 /nfs/dbraw/zinc/51/55/65/558515565.db2.gz NSGRWTFRWISKKT-JTQLQIEISA-N -1 0 401.535 1.502 50 0 HDAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1cc(=O)n2ccccc2n1 ZINC000013236783 558527657 /nfs/dbraw/zinc/52/76/57/558527657.db2.gz HYUGMXZKMZDHIB-KRWDZBQOSA-N -1 0 405.414 1.671 50 0 HDAARM Cc1c(C(=O)[O-])sc2ncn(CC(=O)NC[C@H]3COc4ccccc4O3)c(=O)c12 ZINC000013418287 558532130 /nfs/dbraw/zinc/53/21/30/558532130.db2.gz MMJHYOCJUZWLBK-NSHDSACASA-N -1 0 415.427 1.421 50 0 HDAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)NCCNC(=O)c3ccncc3)cc2s1 ZINC000013727938 558585238 /nfs/dbraw/zinc/58/52/38/558585238.db2.gz RTQJYHADNWFTES-UHFFFAOYSA-N -1 0 419.488 1.223 50 0 HDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)N1CCC(c2ccccc2)=N1 ZINC000004486772 558603996 /nfs/dbraw/zinc/60/39/96/558603996.db2.gz NXAYIIMYWZWNJX-UHFFFAOYSA-N -1 0 401.444 1.852 50 0 HDAARM CC/N=c1\nc(NCC)nc2[n-]nc(SCC(=O)Nc3ccc(F)cc3F)n21 ZINC000004570533 558742661 /nfs/dbraw/zinc/74/26/61/558742661.db2.gz XSFKAZSEOMVMSQ-UHFFFAOYSA-N -1 0 408.438 1.814 50 0 HDAARM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)cn1 ZINC000072301893 558752081 /nfs/dbraw/zinc/75/20/81/558752081.db2.gz GQYMPJFJGIHCCU-UHFFFAOYSA-N -1 0 406.464 1.483 50 0 HDAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003866377 558780271 /nfs/dbraw/zinc/78/02/71/558780271.db2.gz RZQWIVSBRCUTMN-GOSISDBHSA-N -1 0 402.472 1.897 50 0 HDAARM Cc1cc(Cl)c(S(=O)(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1OCC(N)=O ZINC000004196854 558780755 /nfs/dbraw/zinc/78/07/55/558780755.db2.gz NOAMXORTKCKTEG-INIZCTEOSA-N -1 0 412.851 1.617 50 0 HDAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000017089284 558818029 /nfs/dbraw/zinc/81/80/29/558818029.db2.gz YZJWNMTVSLCDMH-FPCDFSMTSA-N -1 0 412.533 1.718 50 0 HDAARM CSc1nc([O-])c(C(c2ccccc2)C2C(=O)N=C(SC)NC2=O)c(=O)[nH]1 ZINC000018044481 558830082 /nfs/dbraw/zinc/83/00/82/558830082.db2.gz AYMKVSPJDWHVOF-UHFFFAOYSA-N -1 0 404.473 1.888 50 0 HDAARM Cn1cnc(S(=O)(=O)[N-]c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 ZINC000058157407 558903301 /nfs/dbraw/zinc/90/33/01/558903301.db2.gz GSDOJEJMWKVJQC-UHFFFAOYSA-N -1 0 404.901 1.659 50 0 HDAARM COC(=O)CNC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[n-]n3c2=O)C1 ZINC000097112272 558995488 /nfs/dbraw/zinc/99/54/88/558995488.db2.gz BWPXCJHJOAIQAO-UHFFFAOYSA-N -1 0 415.837 1.584 50 0 HDAARM Cc1nnc([N-]S(=O)(=O)c2ccc3c(c2)CN(S(=O)(=O)C2CC2)CC3)s1 ZINC000077520509 559008233 /nfs/dbraw/zinc/00/82/33/559008233.db2.gz OYQYDQLJPHGBTC-UHFFFAOYSA-N -1 0 414.534 1.498 50 0 HDAARM O=C([O-])c1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000004761469 559053422 /nfs/dbraw/zinc/05/34/22/559053422.db2.gz BLGGPODPAZOQQN-AUWJEWJLSA-N -1 0 409.354 1.645 50 0 HDAARM C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1c[nH]c(=O)[nH]c1=O)c1ccccc1 ZINC000033330732 559061856 /nfs/dbraw/zinc/06/18/56/559061856.db2.gz ICQAKRYIXMZBLF-GFCCVEGCSA-N -1 0 414.443 1.355 50 0 HDAARM Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])CC2)cc1C ZINC000101449290 559146989 /nfs/dbraw/zinc/14/69/89/559146989.db2.gz ODCHDDDWJGNJAS-DKKFBQAASA-N -1 0 418.515 1.659 50 0 HDAARM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C ZINC000004885181 559196749 /nfs/dbraw/zinc/19/67/49/559196749.db2.gz JZPSNHWTFHBCKD-UHFFFAOYSA-N -1 0 403.416 1.045 50 0 HDAARM O=S(=O)([N-]c1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1)c1c[nH]cn1 ZINC000011795830 559259649 /nfs/dbraw/zinc/25/96/49/559259649.db2.gz FXPOLLBXPPBVLS-CYBMUJFWSA-N -1 0 407.477 1.434 50 0 HDAARM O=C([O-])[C@H]1CCCN(C(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)C1 ZINC000061718501 559293084 /nfs/dbraw/zinc/29/30/84/559293084.db2.gz RVXXTMROKYIZJP-ZDUSSCGKSA-N -1 0 420.263 1.996 50 0 HDAARM C[C@@H](O)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000005354191 560569380 /nfs/dbraw/zinc/56/93/80/560569380.db2.gz RRMAVULMYTWJOU-GDBMZVCRSA-N -1 0 406.479 1.906 50 0 HDAARM CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C)c2[O-])C[C@H]1c1cn(CC)c2ccccc12 ZINC000101766252 560799655 /nfs/dbraw/zinc/79/96/55/560799655.db2.gz PCAZDKKVNZSHJU-INIZCTEOSA-N -1 0 409.446 1.842 50 0 HDAARM COc1cc(OC)nc(NC(=O)CSc2nc(=O)cc([O-])n2C2CCCC2)n1 ZINC000103038977 560836641 /nfs/dbraw/zinc/83/66/41/560836641.db2.gz BTNNEEISNUONFP-UHFFFAOYSA-N -1 0 407.452 1.602 50 0 HDAARM NC1=C2C(=O)Oc3ccccc3[C@@H]2[C@@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]2S1 ZINC000107166503 560895630 /nfs/dbraw/zinc/89/56/30/560895630.db2.gz IOIIUUKIWGIEHC-IJEWVQPXSA-N -1 0 422.418 1.863 50 0 HDAARM COC(=O)CNC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000012322950 568471218 /nfs/dbraw/zinc/47/12/18/568471218.db2.gz AYUZARBSAGWLGH-UHFFFAOYSA-N -1 0 403.869 1.429 50 0 HDAARM Nn1c(=O)c(CCC(=O)[O-])nnc1SCC(=O)Nc1cc(Cl)ccc1Cl ZINC000012347468 568493827 /nfs/dbraw/zinc/49/38/27/568493827.db2.gz SHLDUENLBAIBKI-UHFFFAOYSA-N -1 0 418.262 1.407 50 0 HDAARM CN1C(=O)N(C)[C@@]2(c3ccccc3)NNC(SCC(=O)[O-])=N[C@@]12c1ccccc1 ZINC000020101865 568587882 /nfs/dbraw/zinc/58/78/82/568587882.db2.gz IXDQUBPMBWHEDW-VQTJNVASSA-N -1 0 411.487 1.971 50 0 HDAARM COc1ccccc1-c1nc(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])cs1 ZINC000080351119 568603766 /nfs/dbraw/zinc/60/37/66/568603766.db2.gz BKNCDZFERPKIPA-ZDUSSCGKSA-N -1 0 406.464 1.379 50 0 HDAARM CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ncccn2)c1 ZINC000095995663 568678875 /nfs/dbraw/zinc/67/88/75/568678875.db2.gz MJZKIRBPHZOPGE-UHFFFAOYSA-N -1 0 404.901 1.961 50 0 HDAARM COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c([O-])nc2ccccn2c1=O ZINC000096114439 568694303 /nfs/dbraw/zinc/69/43/03/568694303.db2.gz YEGSGLDXPUHSCA-LBPRGKRZSA-N -1 0 400.387 1.818 50 0 biogenic HDAARM COC(=O)C[C@H](c1cc2ccc(OC)cc2[nH]c1=O)c1c([O-])nc2ccccn2c1=O ZINC000096116123 568695471 /nfs/dbraw/zinc/69/54/71/568695471.db2.gz KOKYSSKVKWIWPP-CQSZACIVSA-N -1 0 421.409 1.945 50 0 biogenic HDAARM COC(=O)C[C@@H](c1cc2ccccc2[nH]c1=O)c1c(O)cc(C)n(CC(=O)[O-])c1=O ZINC000096221256 568704972 /nfs/dbraw/zinc/70/49/72/568704972.db2.gz UYDKXOICIMKWOH-ZDUSSCGKSA-N -1 0 412.398 1.483 50 0 biogenic HDAARM COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc([O-])cc(=O)o2)CC1 ZINC000239367384 568729244 /nfs/dbraw/zinc/72/92/44/568729244.db2.gz AIKYBEVXMDUXDE-QGZVFWFLSA-N -1 0 406.822 1.671 50 0 HDAARM COc1ccccc1N1CCN(C(=O)c2snc3c2nc([O-])n(C)c3=O)CC1 ZINC000096396644 568745263 /nfs/dbraw/zinc/74/52/63/568745263.db2.gz ZEQFUTXIQMQWDI-UHFFFAOYSA-N -1 0 401.448 1.067 50 0 HDAARM COC(=O)[C@H](NC(=O)N1CCc2nc3cc(-c4ccccc4)[n-]n3c(=O)c2C1)C(C)C ZINC000097097716 568767793 /nfs/dbraw/zinc/76/77/93/568767793.db2.gz SPWFVKFPIQJDNS-LJQANCHMSA-N -1 0 423.473 1.955 50 0 HDAARM CCCC(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnc(C)s3)CS[C@@H]12 ZINC000002803253 568811351 /nfs/dbraw/zinc/81/13/51/568811351.db2.gz MKMHIATWCCLREP-MFKMUULPSA-N -1 0 414.534 1.477 50 0 HDAARM Cc1c(C(C)C)c(=O)n(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])cc2)n1C ZINC000216758987 568828645 /nfs/dbraw/zinc/82/86/45/568828645.db2.gz MGKRAFRNMRAKQO-INIZCTEOSA-N -1 0 407.492 1.846 50 0 HDAARM C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C(=O)[O-])[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000004025854 568878135 /nfs/dbraw/zinc/87/81/35/568878135.db2.gz XJIILRFVONGQOG-OTCDBKAHSA-N -1 0 420.502 1.784 50 0 biogenic HDAARM COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c(=O)[nH]c(=O)n(CCCC(C)C)c1[O-] ZINC000004043019 568935973 /nfs/dbraw/zinc/93/59/73/568935973.db2.gz ISAGSMUXZHRIQH-HNNXBMFYSA-N -1 0 404.419 1.955 50 0 biogenic HDAARM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)C(C)C)C(=O)[O-] ZINC000004090661 568942273 /nfs/dbraw/zinc/94/22/73/568942273.db2.gz UVOIGSQWIWPHLG-YOEHRIQHSA-N -1 0 404.467 1.795 50 0 biogenic HDAARM CCOC(=O)CSc1nnc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)s1 ZINC000084793511 568959848 /nfs/dbraw/zinc/95/98/48/568959848.db2.gz BTVXBYGOWDBTOQ-UHFFFAOYSA-N -1 0 417.490 1.781 50 0 HDAARM CCCNC(=O)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000008032206 568969592 /nfs/dbraw/zinc/96/95/92/568969592.db2.gz WSNJRFCPCXVFMR-UHFFFAOYSA-N -1 0 405.476 1.752 50 0 HDAARM CC(C)C[C@H](NC(=O)NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000012848305 569010316 /nfs/dbraw/zinc/01/03/16/569010316.db2.gz MRURMHLWGDTWOR-JKSUJKDBSA-N -1 0 419.478 1.920 50 0 HDAARM CSCC[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)N[C@H](C)C(=O)[O-] ZINC000006719327 569097713 /nfs/dbraw/zinc/09/77/13/569097713.db2.gz IQWFGUQAIYZERE-YPMHNXCESA-N -1 0 405.480 1.277 50 0 HDAARM CCN1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)/C=C/C(=O)[O-])ccc32)CC1 ZINC000036358382 569149627 /nfs/dbraw/zinc/14/96/27/569149627.db2.gz ULWWEDXIEXADSQ-ZMBJWTFHSA-N -1 0 400.435 1.510 50 0 HDAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[N@@H+]2CCCN(c3ncccn3)CC2)c2ccccc21 ZINC000036366663 569152693 /nfs/dbraw/zinc/15/26/93/569152693.db2.gz MHTLIRWJAQGFLG-IBGZPJMESA-N -1 0 409.446 1.854 50 0 HDAARM CCOC(=O)COc1c(Br)cc(/C=C2/NC(=O)[N-]C2=O)cc1OCC ZINC000004590158 569255567 /nfs/dbraw/zinc/25/55/67/569255567.db2.gz LENCNJIYTVRHDS-IZZDOVSWSA-N -1 0 413.224 1.970 50 0 HDAARM COc1ccc2c(C)c(CCC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])c(=O)oc2c1 ZINC000002101588 569281570 /nfs/dbraw/zinc/28/15/70/569281570.db2.gz DWYUPVQRICGBDV-HNNXBMFYSA-N -1 0 419.434 1.061 50 0 biogenic HDAARM Cc1c(O[C@H](C)C(=O)NCC(=O)NCC(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3 ZINC000002104538 569282158 /nfs/dbraw/zinc/28/21/58/569282158.db2.gz SXSUUWATWRQQBV-GFCCVEGCSA-N -1 0 416.430 1.065 50 0 biogenic HDAARM Cc1coc2c1cc1c(C)c(CCC(=O)NCC(=O)NCC(=O)[O-])c(=O)oc1c2C ZINC000002108261 569283776 /nfs/dbraw/zinc/28/37/76/569283776.db2.gz URRBVGVEGJABNK-UHFFFAOYSA-N -1 0 414.414 1.714 50 0 biogenic HDAARM CS(=O)(=O)Nc1ccc(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000252488349 569289473 /nfs/dbraw/zinc/28/94/73/569289473.db2.gz IPXWPUAVXDMELA-GOSISDBHSA-N -1 0 415.471 1.894 50 0 HDAARM C[C@]12CC[C@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C(=O)[O-])[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 ZINC000012661667 569402729 /nfs/dbraw/zinc/40/27/29/569402729.db2.gz XJIILRFVONGQOG-DUUDOMKFSA-N -1 0 420.502 1.784 50 0 biogenic HDAARM CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC000012866517 569404348 /nfs/dbraw/zinc/40/43/48/569404348.db2.gz PCGHWSZFMSNTBT-IPYPFGDCSA-N -1 0 413.515 1.754 50 0 biogenic HDAARM COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCCCC(=O)[O-])C2)cc1 ZINC000009303757 571246287 /nfs/dbraw/zinc/24/62/87/571246287.db2.gz GPBAEDNPWRPLLY-OAHLLOKOSA-N -1 0 412.508 1.857 50 0 HDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4)c=3c2=O)cc1OC ZINC000009675527 571278948 /nfs/dbraw/zinc/27/89/48/571278948.db2.gz JOYZTHOBGDIBRO-OALUTQOASA-N -1 0 423.429 1.944 50 0 HDAARM CCOc1ccc(-n2c(=O)[nH]c3c2nc(-c2cccc(OC)c2[O-])nc3C(N)=O)cc1 ZINC000009739054 571283251 /nfs/dbraw/zinc/28/32/51/571283251.db2.gz WRLHGUNVWCMMEN-UHFFFAOYSA-N -1 0 421.413 1.988 50 0 HDAARM COc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])n2)cc1 ZINC000071328905 571292721 /nfs/dbraw/zinc/29/27/21/571292721.db2.gz DORSCIQRWHJCJO-LJQANCHMSA-N -1 0 407.426 1.731 50 0 HDAARM O=C([O-])CN1C(=O)C[C@@]2(CSc3[nH]c(=O)sc3[C@@H]2c2ccccc2O)C1=O ZINC000010386595 571301736 /nfs/dbraw/zinc/30/17/36/571301736.db2.gz CLKLGAJHUGAEQO-SJCJKPOMSA-N -1 0 406.441 1.210 50 0 HDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cnc(N2CCN(c3ccccn3)CC2)nc1 ZINC000077196724 571312431 /nfs/dbraw/zinc/31/24/31/571312431.db2.gz HAKYGWCGNYLVAE-UHFFFAOYSA-N -1 0 415.479 1.604 50 0 HDAARM C[C@H]1Cn2c(nc3c2c(=O)n(CC(=O)[O-])c(=O)n3C)N(c2cccc(Cl)c2)C1 ZINC000004370776 132276100 /nfs/dbraw/zinc/27/61/00/132276100.db2.gz ZKCHXPSRBWIWBB-SNVBAGLBSA-N -1 0 403.826 1.423 50 0 HDAARM COC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000032903714 522246928 /nfs/dbraw/zinc/24/69/28/522246928.db2.gz IWKGUBOSXBWENX-LLVKDONJSA-N -1 0 404.448 1.422 50 0 HDAARM COc1ccc(-c2cc(C(=O)NCC(=O)NCC(=O)[O-])c3ccccc3n2)cc1OC ZINC000040309806 523095322 /nfs/dbraw/zinc/09/53/22/523095322.db2.gz IUXMAMKMUBYZER-UHFFFAOYSA-N -1 0 423.425 1.850 50 0 biogenic HDAARM CS(=O)(=O)N1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(Br)ccc32)CC1 ZINC000032105185 525175930 /nfs/dbraw/zinc/17/59/30/525175930.db2.gz XESHWNANKCUGBJ-AWEZNQCLSA-N -1 0 416.297 1.633 50 0 HDAARM CCOC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)Nc1nc(Cl)cc(OC)n1 ZINC000000900590 557114187 /nfs/dbraw/zinc/11/41/87/557114187.db2.gz NSWAMPCUPHPTTC-UHFFFAOYSA-N -1 0 414.827 1.826 50 0 in-vitro HDAARM O=S(=O)([O-])CCCSc1sc2ccccc2[n+]1CCCS(=O)(=O)[O-] ZINC000001880968 557293909 /nfs/dbraw/zinc/29/39/09/557293909.db2.gz QADFRFVGUNDHAD-UHFFFAOYSA-O -1 0 412.556 1.837 50 0 HDAARM CC(C)Oc1ccc(-c2nnc(CCC(=O)NCCN3CCOCC3)c(=O)[n-]2)cc1 ZINC000034762595 557460456 /nfs/dbraw/zinc/46/04/56/557460456.db2.gz KHACGISHBZSIGW-UHFFFAOYSA-N -1 0 415.494 1.412 50 0 HDAARM COc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)ccc1NC(C)=O ZINC000003888294 557502916 /nfs/dbraw/zinc/50/29/16/557502916.db2.gz UTTWAAIDJYXBQR-UHFFFAOYSA-N -1 0 421.431 1.269 50 0 HDAARM CSCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004899826 557611440 /nfs/dbraw/zinc/61/14/40/557611440.db2.gz UYQFHHZKLLWKNY-HOTGVXAUSA-N -1 0 420.491 1.570 50 0 HDAARM O=C(COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccnc1)N1CCOCC1 ZINC000006659090 557712310 /nfs/dbraw/zinc/71/23/10/557712310.db2.gz ITBXKHWWCSPRCO-UHFFFAOYSA-N -1 0 411.867 1.773 50 0 HDAARM Cc1nnc(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[n-]2)s1 ZINC000002712545 557742332 /nfs/dbraw/zinc/74/23/32/557742332.db2.gz LCGJPXKQTHLAPI-UHFFFAOYSA-N -1 0 407.437 1.088 50 0 HDAARM Nc1nc(SCC(=O)NC[C@@H]2CCCO2)[n-]c(=O)c1NC(=O)c1cccs1 ZINC000002712468 557746179 /nfs/dbraw/zinc/74/61/79/557746179.db2.gz GRIRPCGECQWHJN-VIFPVBQESA-N -1 0 409.493 1.053 50 0 HDAARM COCCNC(=O)c1ccc(Cn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1 ZINC000002975393 557776832 /nfs/dbraw/zinc/77/68/32/557776832.db2.gz GQWOKOKOMFCPMC-UHFFFAOYSA-N -1 0 413.455 1.838 50 0 HDAARM CCCCN1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)CC1=O ZINC000009668813 557848074 /nfs/dbraw/zinc/84/80/74/557848074.db2.gz DDELUYMEGBZXGH-CQSZACIVSA-N -1 0 417.491 1.865 50 0 HDAARM O=C(CSC1=Nc2ccccc2S(=O)(=O)[N-]1)NCc1ccc2c(c1)OCO2 ZINC000004329591 558261147 /nfs/dbraw/zinc/26/11/47/558261147.db2.gz YMBLCPPODKDSEI-UHFFFAOYSA-N -1 0 405.457 1.935 50 0 HDAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000021399649 558438005 /nfs/dbraw/zinc/43/80/05/558438005.db2.gz KGXJLFWOJJHCBG-UHFFFAOYSA-N -1 0 424.500 1.978 50 0 HDAARM Cn1ncc(C(=O)[O-])c1C(=O)N1CCN(c2nc(C(F)F)cc(C3CC3)n2)CC1 ZINC000013645054 558556385 /nfs/dbraw/zinc/55/63/85/558556385.db2.gz QZXJCRKIDLQBJB-UHFFFAOYSA-N -1 0 406.393 1.686 50 0 HDAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(=O)NCc3ccccn3)cc2)no1 ZINC000013691427 558573388 /nfs/dbraw/zinc/57/33/88/558573388.db2.gz UKCAHUNCTMKTKC-UHFFFAOYSA-N -1 0 415.431 1.434 50 0 HDAARM CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000013944998 558606665 /nfs/dbraw/zinc/60/66/65/558606665.db2.gz NSJNAYDWZCQKMV-UHFFFAOYSA-N -1 0 405.480 1.559 50 0 HDAARM CC(=O)NCCNC(=O)CCC1=Nc2cc(C(F)(F)F)ccc2S(=O)(=O)[N-]1 ZINC000016890433 558808910 /nfs/dbraw/zinc/80/89/10/558808910.db2.gz NYUTZSTWKJLYBY-UHFFFAOYSA-N -1 0 406.386 1.060 50 0 HDAARM CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CSCC(=O)[O-])CC2)cc1 ZINC000017090052 558818663 /nfs/dbraw/zinc/81/86/63/558818663.db2.gz ADZYOLVRVGTJBN-UHFFFAOYSA-N -1 0 414.549 1.635 50 0 HDAARM COc1ccc(CCNC(=O)c2ccsc2NC(=O)COCC(=O)[O-])cc1OC ZINC000017093022 558821561 /nfs/dbraw/zinc/82/15/61/558821561.db2.gz CZTHZDMAPCHOLR-UHFFFAOYSA-N -1 0 422.459 1.778 50 0 HDAARM COc1ccccc1N1CCN([C@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)CC1 ZINC000018250413 558834818 /nfs/dbraw/zinc/83/48/18/558834818.db2.gz BRTRXHGJJRPAST-SFHVURJKSA-N -1 0 409.442 1.848 50 0 HDAARM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1cc(F)ccc1F ZINC000058310786 558918810 /nfs/dbraw/zinc/91/88/10/558918810.db2.gz TWNXPPCRZUUOEM-HNNXBMFYSA-N -1 0 419.427 1.561 50 0 HDAARM COc1cc([C@H](c2sc3ncnn3c2[O-])N2CCN(C)CC2)cc(OC)c1OC ZINC000022030985 558985164 /nfs/dbraw/zinc/98/51/64/558985164.db2.gz ZMZLQKVCZGLXPT-OAHLLOKOSA-N -1 0 419.507 1.859 50 0 HDAARM Cc1nnc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@H]2CCCO2)CC3)s1 ZINC000077407460 559004198 /nfs/dbraw/zinc/00/41/98/559004198.db2.gz AAPHARDUIHHNPY-OAHLLOKOSA-N -1 0 408.505 1.711 50 0 HDAARM Cc1nnc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2cc[nH]n2)CC3)s1 ZINC000077455874 559005836 /nfs/dbraw/zinc/00/58/36/559005836.db2.gz NBKMWMQAHZEYHJ-UHFFFAOYSA-N -1 0 404.477 1.569 50 0 HDAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1OC ZINC000100033459 559128903 /nfs/dbraw/zinc/12/89/03/559128903.db2.gz PZLHQJVYXYHUTE-OALUTQOASA-N -1 0 423.429 1.944 50 0 HDAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc5c(c4)OCCO5)c=3c2=O)cc1 ZINC000100033220 559128912 /nfs/dbraw/zinc/12/89/12/559128912.db2.gz GRNXMMJNDSZWEV-RTBURBONSA-N -1 0 421.413 1.698 50 0 HDAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(S(N)(=O)=O)cc1)c2=O ZINC000100432939 559135330 /nfs/dbraw/zinc/13/53/30/559135330.db2.gz GVPVYWWOBJYQAB-UHFFFAOYSA-N -1 0 405.457 1.541 50 0 HDAARM COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c(=O)nc2ccccn2c1[O-] ZINC000205957533 559186981 /nfs/dbraw/zinc/18/69/81/559186981.db2.gz AFSAQQUSCGCEHN-GFCCVEGCSA-N -1 0 400.387 1.818 50 0 HDAARM Cc1c(O)ccc2c(C)c(CCC(=O)NCC(=O)N[C@@H](C(=O)[O-])C(C)C)c(=O)oc12 ZINC000011865449 559263683 /nfs/dbraw/zinc/26/36/83/559263683.db2.gz JXWHSYHGZNFBOB-GOSISDBHSA-N -1 0 418.446 1.390 50 0 HDAARM O=C(CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)NCC1CCC(C(=O)[O-])CC1 ZINC000005423609 560584893 /nfs/dbraw/zinc/58/48/93/560584893.db2.gz UCORGEFIMSIHAV-JMLCCBQJSA-N -1 0 413.474 1.773 50 0 HDAARM COc1ccccc1OCCN1c2ccccc2[C@](O)(c2sc(N)nc2O)C1=O ZINC000017879066 560729855 /nfs/dbraw/zinc/72/98/55/560729855.db2.gz KSOZHLBFYIVQKG-JXFKEZNVSA-N -1 0 413.455 1.265 50 0 HDAARM Cc1ccc(CNC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1 ZINC000101389064 560794015 /nfs/dbraw/zinc/79/40/15/560794015.db2.gz XFEABLRCPMGQEW-ZWKOTPCHSA-N -1 0 413.384 1.883 50 0 HDAARM COc1ccc([C@@H]2CC(c3c([O-])n(Cc4ccccc4)c(=O)[nH]c3=O)=NN2)cc1O ZINC000101762439 560800474 /nfs/dbraw/zinc/80/04/74/560800474.db2.gz PTEYDDBFGPNNRG-AWEZNQCLSA-N -1 0 408.414 1.443 50 0 HDAARM COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(O)=C23)cc1OC ZINC000102552869 560817910 /nfs/dbraw/zinc/81/79/10/560817910.db2.gz ZLRBOWGIECOTCA-HKUYNNGSSA-N -1 0 410.382 1.922 50 0 HDAARM COC(=O)c1[n-]n(C(C)(C)CC(C)=O)c2c(O)n(-c3ccc(OC)cc3)c(=O)c1-2 ZINC000102682277 560821227 /nfs/dbraw/zinc/82/12/27/560821227.db2.gz XFNVKIHFBGLOSW-HOCLYGCPSA-N -1 0 401.419 1.156 50 0 HDAARM Cn1cc(C(=O)[O-])c(C(=O)N2CCN(Cc3cccc(Br)c3)CC2)n1 ZINC000020614847 560885933 /nfs/dbraw/zinc/88/59/33/560885933.db2.gz UDXCMNKUSYSRCK-UHFFFAOYSA-N -1 0 407.268 1.839 50 0 HDAARM COC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1cc(Br)ccc1OCC(=O)[O-] ZINC000044973348 560898324 /nfs/dbraw/zinc/89/83/24/560898324.db2.gz QSWRTSMICFYEJK-CQSZACIVSA-N -1 0 423.223 1.966 50 0 HDAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C ZINC000012235964 568455112 /nfs/dbraw/zinc/45/51/12/568455112.db2.gz SAGCJCUYPNSQLN-CQSZACIVSA-N -1 0 413.521 1.977 50 0 HDAARM CN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])cc2)CC1 ZINC000000816572 568495406 /nfs/dbraw/zinc/49/54/06/568495406.db2.gz NXQWCZDTTZJRQY-IRXDYDNUSA-N -1 0 409.508 1.452 50 0 HDAARM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(=O)[N-]OCc1ccccc1)[C@H](O)C(C)C ZINC000601014182 568587423 /nfs/dbraw/zinc/58/74/23/568587423.db2.gz ATJWSVXXJYKXSU-CEXWTWQISA-N -1 0 407.511 1.287 50 0 HDAARM COc1ccc(-c2nn3c(nc2=O)-c2ccccc2N2C(=O)CC[C@]23C(=O)[O-])cc1 ZINC000095469605 568625744 /nfs/dbraw/zinc/62/57/44/568625744.db2.gz PQBLDYGOLRGGCB-NRFANRHFSA-N -1 0 404.382 1.859 50 0 HDAARM COC(=O)CCSc1ncccc1[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000225400410 568634324 /nfs/dbraw/zinc/63/43/24/568634324.db2.gz AICAYDQGYQOFHS-UHFFFAOYSA-N -1 0 416.506 1.953 50 0 HDAARM Cc1noc(C)c1CN1CCc2c(C(=O)NCCCc3nnn[n-]3)csc2C1 ZINC000426641374 568724098 /nfs/dbraw/zinc/72/40/98/568724098.db2.gz MIFBJFBRELKISL-UHFFFAOYSA-N -1 0 401.496 1.787 50 0 HDAARM CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3nn(C)c(C(F)(F)F)c3Cl)[C@@H]2SC1 ZINC000002783593 568808763 /nfs/dbraw/zinc/80/87/63/568808763.db2.gz HDVUMAIUFSHNAZ-KRTXAFLBSA-N -1 0 424.788 1.464 50 0 HDAARM CCCC(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnc(C)s3)CS[C@H]12 ZINC000002803252 568811386 /nfs/dbraw/zinc/81/13/86/568811386.db2.gz MKMHIATWCCLREP-GXFFZTMASA-N -1 0 414.534 1.477 50 0 HDAARM COCCn1c(=O)c2ccc(C(=O)N(CCO)Cc3ccccc3)cc2[n-]c1=S ZINC000003043785 568848104 /nfs/dbraw/zinc/84/81/04/568848104.db2.gz YCZCQMSOWOUWRH-UHFFFAOYSA-N -1 0 413.499 1.966 50 0 HDAARM Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)[O-] ZINC000003831241 568868807 /nfs/dbraw/zinc/86/88/07/568868807.db2.gz UWYHMGVUTGAWSP-CKEIUWERSA-N -1 0 401.444 1.895 50 0 biogenic,investigational HDAARM C[C@@H](O)[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)C(=O)[O-] ZINC000012912444 569021897 /nfs/dbraw/zinc/02/18/97/569021897.db2.gz AISFTVSOHWTDBU-ABAIWWIYSA-N -1 0 418.899 1.469 50 0 HDAARM O=C1N[C@H](c2ccc3c(c2)OCO3)C(=C([O-])c2cccnc2)[C@](O)(C(F)(F)F)N1 ZINC000170620758 569039174 /nfs/dbraw/zinc/03/91/74/569039174.db2.gz NGXKDHNDHYWXGJ-VBQJREDUSA-N -1 0 409.320 1.914 50 0 HDAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000006352488 569045161 /nfs/dbraw/zinc/04/51/61/569045161.db2.gz GLFSUEUWLSKFEO-UHFFFAOYSA-N -1 0 409.489 1.371 50 0 HDAARM CCCCNC(=O)CN1CCN(c2ccc(NC(=O)COC)c(C(=O)[O-])c2)CC1 ZINC000064589868 569069085 /nfs/dbraw/zinc/06/90/85/569069085.db2.gz WTDWLGVSWKOIFE-UHFFFAOYSA-N -1 0 406.483 1.008 50 0 HDAARM C=CCN1C(=O)N/C(=C\c2cc(Br)c(OCC(=O)[O-])c(OC)c2)C1=O ZINC000002061596 569152114 /nfs/dbraw/zinc/15/21/14/569152114.db2.gz OQKJJYOQYXLZPM-WDZFZDKYSA-N -1 0 411.208 2.000 50 0 HDAARM CS(=O)(=O)[N-]c1nc(CC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cs1 ZINC000036391347 569166461 /nfs/dbraw/zinc/16/64/61/569166461.db2.gz HDTQBRYDDSDXFI-UHFFFAOYSA-N -1 0 412.493 1.071 50 0 HDAARM O=C(c1nc(-c2csc(S(=O)(=O)[N-]c3cccnc3)c2)no1)N1CCOCC1 ZINC000065097489 569176526 /nfs/dbraw/zinc/17/65/26/569176526.db2.gz BSCVXIYTJMSEJC-UHFFFAOYSA-N -1 0 421.460 1.466 50 0 HDAARM COC(=O)CNC(=O)N1CCc2nc3cc(-c4ccccc4Cl)[n-]n3c(=O)c2C1 ZINC000065260923 569209669 /nfs/dbraw/zinc/20/96/69/569209669.db2.gz GPIRALZXVWIRAT-UHFFFAOYSA-N -1 0 415.837 1.584 50 0 HDAARM Cn1nnc(Br)c1S(=O)(=O)[N-]c1cccc(N2CCCC2=O)c1 ZINC000170610547 569245306 /nfs/dbraw/zinc/24/53/06/569245306.db2.gz QOGOFMJHNOXMRT-UHFFFAOYSA-N -1 0 400.258 1.505 50 0 HDAARM Cc1c(O)ccc2c(C)c(CCC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)oc12 ZINC000002111943 569284092 /nfs/dbraw/zinc/28/40/92/569284092.db2.gz JXWHSYHGZNFBOB-SFHVURJKSA-N -1 0 418.446 1.390 50 0 biogenic HDAARM COC(=O)c1sc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)nc1C ZINC000079108623 569427898 /nfs/dbraw/zinc/42/78/98/569427898.db2.gz JCJQBTFNDYGTDO-UHFFFAOYSA-N -1 0 408.454 1.582 50 0 HDAARM CC[C@@H](Sc1nc(N)c(NC(=O)c2ccc(OC)c(OC)c2)c(=O)[n-]1)C(=O)OC ZINC000008584038 571083044 /nfs/dbraw/zinc/08/30/44/571083044.db2.gz GKNDDJPZISLOLD-GFCCVEGCSA-N -1 0 422.463 1.665 50 0 HDAARM NC(=O)c1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CCCC[C@@H]43)C2=O)cc1 ZINC000008694592 571102538 /nfs/dbraw/zinc/10/25/38/571102538.db2.gz ODRHHIUEKJPPFH-JPYJTQIMSA-N -1 0 418.453 1.970 50 0 HDAARM NC(=O)c1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CCCC[C@H]43)C2=O)cc1 ZINC000008694594 571102576 /nfs/dbraw/zinc/10/25/76/571102576.db2.gz ODRHHIUEKJPPFH-MBSDFSHPSA-N -1 0 418.453 1.970 50 0 HDAARM C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCn2c3ccccc3nc21)C(=O)[O-] ZINC000008974036 571197620 /nfs/dbraw/zinc/19/76/20/571197620.db2.gz HHJYQDGYJQLCAX-PBHICJAKSA-N -1 0 421.457 1.767 50 0 HDAARM C[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000009042767 571215235 /nfs/dbraw/zinc/21/52/35/571215235.db2.gz GYOJIGOZFOQNOB-KZULUSFZSA-N -1 0 420.425 1.957 50 0 biogenic HDAARM Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(=O)c12 ZINC000010166789 571295695 /nfs/dbraw/zinc/29/56/95/571295695.db2.gz JMDKMDDARMXODF-UHFFFAOYSA-N -1 0 423.454 1.922 50 0 HDAARM Nc1nc([N-][C@H](O)C(Cl)(Cl)Cl)[nH+]c([N-][C@H](O)C(Cl)(Cl)Cl)n1 ZINC000025666846 571315567 /nfs/dbraw/zinc/31/55/67/571315567.db2.gz KSWAAUWXVSYKCI-JCYAYHJZSA-N -1 0 420.899 1.655 50 0 HDAARM CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000005483072 132306238 /nfs/dbraw/zinc/30/62/38/132306238.db2.gz KHZHCLGRQPKHJE-UGSOOPFHSA-N -1 0 416.478 1.893 50 0 HDAARM Cc1cccc(C2=Nc3ccc(S(=O)(=O)N4CCOCC4)cc3S(=O)(=O)[N-]2)c1 ZINC000015682400 524335973 /nfs/dbraw/zinc/33/59/73/524335973.db2.gz QNHSWRHBDVXDID-UHFFFAOYSA-N -1 0 421.500 1.386 50 0 HDAARM Cc1cc(NC(=O)CN(C)C(=O)CCn2c(=O)c3ccccc3[n-]c2=S)no1 ZINC000032841925 525132439 /nfs/dbraw/zinc/13/24/39/525132439.db2.gz BXZIKBRGRWGCEQ-UHFFFAOYSA-N -1 0 401.448 1.843 50 0 HDAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCO3)cc2)nc(OC)n1 ZINC000001054849 557161243 /nfs/dbraw/zinc/16/12/43/557161243.db2.gz JFQNXINPEZTXLT-CYBMUJFWSA-N -1 0 408.436 1.412 50 0 HDAARM CN1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1 ZINC000004750562 557592928 /nfs/dbraw/zinc/59/29/28/557592928.db2.gz QQZRLXXXCUYOIQ-UHFFFAOYSA-N -1 0 401.535 1.485 50 0 HDAARM COc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[n-]2)cc1 ZINC000002712519 557746375 /nfs/dbraw/zinc/74/63/75/557746375.db2.gz RCMNGWUDVBZMKV-UHFFFAOYSA-N -1 0 415.431 1.937 50 0 HDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000008816110 557809875 /nfs/dbraw/zinc/80/98/75/557809875.db2.gz NNUVPLSYDKKIOJ-ZDUSSCGKSA-N -1 0 419.434 1.642 50 0 HDAARM COc1cc2c(cc1OC)CN(C(=O)Cn1cnc3ccccc3c1=O)[C@@H](C(=O)[O-])C2 ZINC000020426244 558362155 /nfs/dbraw/zinc/36/21/55/558362155.db2.gz YUJLMCHFNLVFDG-QGZVFWFLSA-N -1 0 423.425 1.452 50 0 HDAARM O=C(NCCCN1CCOCC1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000020665023 558398031 /nfs/dbraw/zinc/39/80/31/558398031.db2.gz DXHBDJRVLKKWAZ-UHFFFAOYSA-N -1 0 403.504 1.940 50 0 HDAARM Cc1c2c(cc(=O)n1CCN1CCOCC1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000012406712 558398227 /nfs/dbraw/zinc/39/82/27/558398227.db2.gz FNLICUWTNXMWPL-UHFFFAOYSA-N -1 0 411.487 1.731 50 0 HDAARM O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000020723991 558404112 /nfs/dbraw/zinc/40/41/12/558404112.db2.gz ZBGDBCYWHSZDLF-CXAGYDPISA-N -1 0 411.911 1.752 50 0 HDAARM COc1ccc([C@@H]2C/C(=C3\C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)NN2)c(OC)c1 ZINC000013576192 558543588 /nfs/dbraw/zinc/54/35/88/558543588.db2.gz USRJDXYASYDNAS-NCJSADBTSA-N -1 0 422.441 1.776 50 0 HDAARM COc1ccc(Br)cc1CC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000072305060 558757589 /nfs/dbraw/zinc/75/75/89/558757589.db2.gz KESZUCDIWOZEDV-UHFFFAOYSA-N -1 0 416.297 1.856 50 0 HDAARM O=C([O-])[C@H]1CCCN1C(=O)[C@H](Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 ZINC000002989273 558780165 /nfs/dbraw/zinc/78/01/65/558780165.db2.gz VKWBFVCJTYULKJ-DLBZAZTESA-N -1 0 410.426 1.832 50 0 HDAARM CC(=O)N(C)c1nc(CS(=O)(=O)c2nnc([N-]CC(F)(F)F)s2)cs1 ZINC000058167114 558907328 /nfs/dbraw/zinc/90/73/28/558907328.db2.gz KHKPTNLUOUOKKN-UHFFFAOYSA-N -1 0 415.444 1.925 50 0 HDAARM CCCNC(=O)CN1CCN(c2cc(C(=O)[O-])c3cc(NC(C)=O)ccc3n2)CC1 ZINC000033260786 558926525 /nfs/dbraw/zinc/92/65/25/558926525.db2.gz KQYHOXPUPXPFDY-UHFFFAOYSA-N -1 0 413.478 1.540 50 0 HDAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=S)N3CCN(C)CC3)cc2)n1 ZINC000004629392 558931891 /nfs/dbraw/zinc/93/18/91/558931891.db2.gz DFVKLZCBLWVPCK-UHFFFAOYSA-N -1 0 420.564 1.838 50 0 HDAARM CC[C@@H](OC)C(=O)N1CCc2ccc(S(=O)(=O)[N-]c3nnc(C)s3)cc2C1 ZINC000077423896 559004697 /nfs/dbraw/zinc/00/46/97/559004697.db2.gz ZMXXOCJWOKMHPS-OAHLLOKOSA-N -1 0 410.521 1.957 50 0 HDAARM COC(=O)c1[n-]n(-c2ccc(OC)cc2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2 ZINC000100942949 559142157 /nfs/dbraw/zinc/14/21/57/559142157.db2.gz RQMYNOQGZLVAKN-SJLPKXTDSA-N -1 0 409.398 1.611 50 0 HDAARM O=C([N-]S(=O)(=O)N1CCCc2ccccc21)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000072310904 559163220 /nfs/dbraw/zinc/16/32/20/559163220.db2.gz DVTBYGFRUUTPEM-INIZCTEOSA-N -1 0 409.533 1.502 50 0 HDAARM O=C1Nc2c(c(=O)[nH]c(=O)n2Cc2ccccc2)[C@]1([N-]c1ncccn1)C(F)(F)F ZINC000100180861 559173675 /nfs/dbraw/zinc/17/36/75/559173675.db2.gz KPZKPYGCAANVAR-QGZVFWFLSA-N -1 0 418.335 1.197 50 0 HDAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100568216 559228494 /nfs/dbraw/zinc/22/84/94/559228494.db2.gz VKYJUMVBVMBKBV-YPMHNXCESA-N -1 0 408.208 1.088 50 0 HDAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 ZINC000011858213 559262945 /nfs/dbraw/zinc/26/29/45/559262945.db2.gz NRKHNZJBSULVHN-LBPRGKRZSA-N -1 0 410.473 1.809 50 0 HDAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000011858323 559263130 /nfs/dbraw/zinc/26/31/30/559263130.db2.gz JWGMVOOWJGPOIB-UHFFFAOYSA-N -1 0 424.456 1.341 50 0 HDAARM C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C(=O)[O-])[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 ZINC000253488124 559280788 /nfs/dbraw/zinc/28/07/88/559280788.db2.gz XJIILRFVONGQOG-VUSXPVSZSA-N -1 0 420.502 1.784 50 0 HDAARM CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000005302150 560562754 /nfs/dbraw/zinc/56/27/54/560562754.db2.gz QXCYWRYXCCFTGD-SKDZVZGDSA-N -1 0 419.453 1.395 50 0 HDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(OC)c4)c=3c2=O)cc1 ZINC000101165937 560787315 /nfs/dbraw/zinc/78/73/15/560787315.db2.gz GMMZNXWIXIREMT-MSOLQXFVSA-N -1 0 409.402 1.636 50 0 HDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4C)c=3c2=O)cc1OC ZINC000101169749 560787805 /nfs/dbraw/zinc/78/78/05/560787805.db2.gz PTQMBLRHERCXLE-OALUTQOASA-N -1 0 423.429 1.944 50 0 HDAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cc(=O)n5ccccc5n4)c=3c2=O)cc1 ZINC000101417849 560794782 /nfs/dbraw/zinc/79/47/82/560794782.db2.gz DSOGYGLHIBWSEE-OALUTQOASA-N -1 0 418.413 1.587 50 0 HDAARM COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3[O-])=NN2)cc1OC ZINC000101762298 560800430 /nfs/dbraw/zinc/80/04/30/560800430.db2.gz QQUQUTFMHQWMJM-OAHLLOKOSA-N -1 0 422.441 1.746 50 0 HDAARM COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3[O-])=NN2)c(OC)c1 ZINC000101762340 560800498 /nfs/dbraw/zinc/80/04/98/560800498.db2.gz GRNMEBUHOXHYAU-INIZCTEOSA-N -1 0 422.441 1.746 50 0 HDAARM COc1ccccc1[C@H]1CC(c2c([O-])[nH]c(=O)n(CCc3ccccc3)c2=O)=NN1 ZINC000101762559 560800693 /nfs/dbraw/zinc/80/06/93/560800693.db2.gz ZYDXSRCIUPDQKQ-MRXNPFEDSA-N -1 0 406.442 1.932 50 0 HDAARM COc1cc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccccc4OC)c3=O)=NN2)ccc1O ZINC000101762815 560800721 /nfs/dbraw/zinc/80/07/21/560800721.db2.gz LRWCSHDNXWFPQS-LBPRGKRZSA-N -1 0 424.413 1.393 50 0 HDAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccc5c(c4)OCO5)no3)c=2c(=O)n1-c1ccccc1 ZINC000101893886 560804550 /nfs/dbraw/zinc/80/45/50/560804550.db2.gz FUMCEZKUCZHDBV-IRXDYDNUSA-N -1 0 418.369 1.959 50 0 HDAARM C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)[O-] ZINC000034609054 560868845 /nfs/dbraw/zinc/86/88/45/560868845.db2.gz OZFKECLMHVFMHE-DZGCQCFKSA-N -1 0 408.451 1.993 50 0 HDAARM CC[C@@H](C)[C@H](NC(=O)Cn1nc(-c2ccc(OC)c(OC)c2)ccc1=O)C(=O)[O-] ZINC000049549623 568451816 /nfs/dbraw/zinc/45/18/16/568451816.db2.gz RJCFXBUAYRABEN-BLVKFPJESA-N -1 0 403.435 1.543 50 0 HDAARM COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2)cc1 ZINC000006757587 568458604 /nfs/dbraw/zinc/45/86/04/568458604.db2.gz CPXLUNOBPKFYBO-KRWDZBQOSA-N -1 0 412.508 1.711 50 0 HDAARM COc1ccccc1N1CCN(C(=O)CC[C@]2(CCC(=O)[O-])CCC(=O)N2)CC1 ZINC000218591262 568482295 /nfs/dbraw/zinc/48/22/95/568482295.db2.gz LHWFQTLJYQKKKE-NRFANRHFSA-N -1 0 403.479 1.638 50 0 HDAARM Nn1c(=O)c(CCC(=O)[O-])nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000012347523 568493951 /nfs/dbraw/zinc/49/39/51/568493951.db2.gz QZKBBNURWDSMDO-UHFFFAOYSA-N -1 0 418.262 1.407 50 0 HDAARM COCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000095389870 568604044 /nfs/dbraw/zinc/60/40/44/568604044.db2.gz RVTGQWQLROKDNX-UHFFFAOYSA-N -1 0 408.432 1.327 50 0 HDAARM COc1cc2c(cc1OC)[C@@H](c1c([O-])[nH]c(=O)n(-c3ccc(C)cc3)c1=O)NCC2 ZINC000020410532 568605134 /nfs/dbraw/zinc/60/51/34/568605134.db2.gz SSKXZTSAIQYEMW-IBGZPJMESA-N -1 0 409.442 1.792 50 0 biogenic HDAARM CCN1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C[C@H]2CCCO2)c3=O)CC1 ZINC000020643708 568638867 /nfs/dbraw/zinc/63/88/67/568638867.db2.gz JDTUBXANRDTKPF-OAHLLOKOSA-N -1 0 402.520 1.642 50 0 HDAARM CCN1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C[C@@H]2CCCO2)c3=O)CC1 ZINC000020643706 568638922 /nfs/dbraw/zinc/63/89/22/568638922.db2.gz JDTUBXANRDTKPF-HNNXBMFYSA-N -1 0 402.520 1.642 50 0 HDAARM O=C([N-]N1CCc2ccccc2C1=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000096004258 568682157 /nfs/dbraw/zinc/68/21/57/568682157.db2.gz JEFZRGLHJVWKHT-UHFFFAOYSA-N -1 0 405.501 1.876 50 0 HDAARM CCc1nc2sc([C@@H](c3ccc(F)cc3)N3CCN(CCO)CC3)c([O-])n2n1 ZINC000022578245 568770436 /nfs/dbraw/zinc/77/04/36/568770436.db2.gz JUVAMYPDBBOJCV-MRXNPFEDSA-N -1 0 405.499 1.897 50 0 HDAARM O=C(CCn1cnc2ccccc2c1=O)N[C@H](CN1C(=O)COC1=O)c1ccccc1 ZINC000225636462 568777722 /nfs/dbraw/zinc/77/77/22/568777722.db2.gz XWWVGBWPZPMYEG-GOSISDBHSA-N -1 0 420.425 1.623 50 0 HDAARM CCOCCCn1c(=O)c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2[n-]c1=S ZINC000002973344 568832104 /nfs/dbraw/zinc/83/21/04/568832104.db2.gz MKMXCCWLAXIAHV-UHFFFAOYSA-N -1 0 418.519 1.449 50 0 HDAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000012548542 568851590 /nfs/dbraw/zinc/85/15/90/568851590.db2.gz HBPFUBRFFONGLT-KRWDZBQOSA-N -1 0 424.438 1.998 50 0 HDAARM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CC2)cc1 ZINC000012557221 568856224 /nfs/dbraw/zinc/85/62/24/568856224.db2.gz NCNLFUHYTXTVNB-UHFFFAOYSA-N -1 0 423.516 1.630 50 0 HDAARM Cc1cn2c(nc3c2c(=O)n(Cc2ccccc2Cl)c(=O)n3C)n1CC(=O)[O-] ZINC000012558733 568856612 /nfs/dbraw/zinc/85/66/12/568856612.db2.gz AEBASMBCRVIVOE-UHFFFAOYSA-N -1 0 401.810 1.244 50 0 HDAARM Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)[O-] ZINC000003831243 568868744 /nfs/dbraw/zinc/86/87/44/568868744.db2.gz UWYHMGVUTGAWSP-CPUCHLNUSA-N -1 0 401.444 1.895 50 0 biogenic,investigational HDAARM COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(=O)[nH]c(=O)n(CCCC(C)C)c1[O-] ZINC000004043021 568935954 /nfs/dbraw/zinc/93/59/54/568935954.db2.gz ISAGSMUXZHRIQH-OAHLLOKOSA-N -1 0 404.419 1.955 50 0 biogenic HDAARM CC(C)C[C@H](NC(=O)C1CCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000004073502 568937891 /nfs/dbraw/zinc/93/78/91/568937891.db2.gz XLFXJIVWDVDXLE-ZFWWWQNUSA-N -1 0 413.515 1.754 50 0 biogenic HDAARM CSCC[C@H](NC(=O)c1cccc2c1-c1ccccc1C2=O)C(=O)NCC(=O)[O-] ZINC000004085681 568940317 /nfs/dbraw/zinc/94/03/17/568940317.db2.gz UKDVGYFSJQLXSK-INIZCTEOSA-N -1 0 412.467 1.950 50 0 biogenic HDAARM CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000004090629 568942214 /nfs/dbraw/zinc/94/22/14/568942214.db2.gz PPCXCRNXNWQRBJ-ZLIFDBKOSA-N -1 0 404.467 1.795 50 0 biogenic HDAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)C(C)C)C(=O)[O-] ZINC000004090946 568942216 /nfs/dbraw/zinc/94/22/16/568942216.db2.gz VBMCVXORAOGNFB-DQYPLSBCSA-N -1 0 404.467 1.795 50 0 biogenic HDAARM COc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccnc2)ccc1O ZINC000004269951 568956588 /nfs/dbraw/zinc/95/65/88/568956588.db2.gz KYUZLWFKQNZOHE-KEYYUXOJSA-N -1 0 411.336 1.900 50 0 HDAARM Cc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000012899533 569020580 /nfs/dbraw/zinc/02/05/80/569020580.db2.gz OIOSXRRXLUUCKD-NRFANRHFSA-N -1 0 424.409 1.539 50 0 biogenic HDAARM Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000012901539 569020821 /nfs/dbraw/zinc/02/08/21/569020821.db2.gz UURKYXPACKJNMK-SGTLLEGYSA-N -1 0 404.419 1.210 50 0 biogenic HDAARM COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-] ZINC000035686287 569050665 /nfs/dbraw/zinc/05/06/65/569050665.db2.gz AIFSXXULXLBEPT-AWEZNQCLSA-N -1 0 419.434 1.061 50 0 HDAARM COC(=O)c1cn(-c2ccc(Cl)c(C(=O)NCCC(=O)[O-])c2)cc2c(=O)[nH]nc1-2 ZINC000253407106 569051407 /nfs/dbraw/zinc/05/14/07/569051407.db2.gz JNRPXNURONMMAV-UHFFFAOYSA-N -1 0 418.793 1.310 50 0 HDAARM CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)c(C)nn2C)c(OC)c1 ZINC000089274530 569053859 /nfs/dbraw/zinc/05/38/59/569053859.db2.gz RPELKSBGZOPCMM-UHFFFAOYSA-N -1 0 402.498 1.608 50 0 HDAARM CCN(CC)C(=O)CN1CCN(c2ccc(NC(=O)C(C)C)c(C(=O)[O-])c2)CC1 ZINC000064589718 569069081 /nfs/dbraw/zinc/06/90/81/569069081.db2.gz VBZVITPYHALIMN-UHFFFAOYSA-N -1 0 404.511 1.970 50 0 HDAARM Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)NCC(=O)NCC(=O)[O-])c(C)c21 ZINC000006624167 569075500 /nfs/dbraw/zinc/07/55/00/569075500.db2.gz OIRKHFPGGDPBLP-UHFFFAOYSA-N -1 0 414.414 1.632 50 0 biogenic HDAARM C[NH+]1CCN([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccc(Br)cc23)CC1 ZINC000036353856 569147828 /nfs/dbraw/zinc/14/78/28/569147828.db2.gz CNFTXOHRUSNKEM-INIZCTEOSA-N -1 0 410.268 1.862 50 0 HDAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000036579831 569202715 /nfs/dbraw/zinc/20/27/15/569202715.db2.gz UTTRDVUFJOWPGA-GOSISDBHSA-N -1 0 407.426 1.534 50 0 HDAARM Cc1c(C)[n+]([O-])c([C@@H](c2ccc(Cl)cc2F)c2c([O-])n(C)c(=O)n(C)c2=O)n1C ZINC000524734983 569213799 /nfs/dbraw/zinc/21/37/99/569213799.db2.gz WYQOPMORLSNUFE-AWEZNQCLSA-N -1 0 422.844 1.866 50 0 HDAARM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000170596628 569241656 /nfs/dbraw/zinc/24/16/56/569241656.db2.gz JKCGZYJOKNSZSX-NEPJUHHUSA-N -1 0 407.339 1.889 50 0 HDAARM NC(=O)C1CCN(C(=O)CCc2csc([N-]S(=O)(=O)c3ccccc3)n2)CC1 ZINC000016848318 569265464 /nfs/dbraw/zinc/26/54/64/569265464.db2.gz NOVXMRLERKLJGU-UHFFFAOYSA-N -1 0 422.532 1.600 50 0 HDAARM Cc1oc2cc3oc(=O)c(CC(=O)NCC(=O)NCC(=O)[O-])c(C)c3cc2c1C ZINC000002092925 569280516 /nfs/dbraw/zinc/28/05/16/569280516.db2.gz LJZNQLUWNZTNNJ-UHFFFAOYSA-N -1 0 400.387 1.324 50 0 biogenic HDAARM CCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)ccc12 ZINC000002121040 569285524 /nfs/dbraw/zinc/28/55/24/569285524.db2.gz TXJXIFWJXZCZHM-YUNKPMOVSA-N -1 0 418.446 1.466 50 0 biogenic HDAARM C[C@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000100820104 569359233 /nfs/dbraw/zinc/35/92/33/569359233.db2.gz UEAPJHKMJTZURQ-QGTPRVQTSA-N -1 0 400.431 1.474 50 0 HDAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCn1nnc2ccccc2c1=O ZINC000002341586 569376335 /nfs/dbraw/zinc/37/63/35/569376335.db2.gz DRTMCZLYWFMGEC-SFHVURJKSA-N -1 0 405.414 1.475 50 0 HDAARM COc1cccc(C=c2[n-]c(=O)c(=Cc3cccc(OC)c3OC)[nH]c2=O)c1OC ZINC000253531374 569382620 /nfs/dbraw/zinc/38/26/20/569382620.db2.gz GRCRPGMWRAADHV-UHFFFAOYSA-N -1 0 410.426 1.580 50 0 HDAARM COc1cc2c(cc1OC)[C@H](c1c([O-])n(C)c(=S)n(C)c1=O)N(C(C)=O)CC2 ZINC000002353334 569385225 /nfs/dbraw/zinc/38/52/25/569385225.db2.gz IYMABHWGXPEWQA-MRXNPFEDSA-N -1 0 405.476 1.670 50 0 HDAARM COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c([O-])[nH]c(=O)n(-c2ccc(C)cc2)c1=O ZINC000002415515 569397313 /nfs/dbraw/zinc/39/73/13/569397313.db2.gz ASHVCSOGERZLMH-INIZCTEOSA-N -1 0 410.382 1.817 50 0 HDAARM CC(C)(C)c1n[nH]cc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)cc1C(N)=O ZINC000089694635 571047772 /nfs/dbraw/zinc/04/77/72/571047772.db2.gz WCORJOZDYYKTAV-UHFFFAOYSA-N -1 0 407.496 1.444 50 0 HDAARM Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C(=O)NCCC(=O)[O-])cc3)ccc21 ZINC000040058084 571146073 /nfs/dbraw/zinc/14/60/73/571146073.db2.gz DPADCHZVHQUSKE-UHFFFAOYSA-N -1 0 419.415 1.137 50 0 HDAARM O=C(NC[C@H]1CCN(c2ccccc2)C1)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2 ZINC000069510728 571228760 /nfs/dbraw/zinc/22/87/60/571228760.db2.gz UQLBNHGFTJXRJH-CQSZACIVSA-N -1 0 424.486 1.638 50 0 HDAARM Nc1nc(SCC(=O)Nc2nccs2)[n-]c(=O)c1NC(=O)c1ccccc1 ZINC000009518038 571265515 /nfs/dbraw/zinc/26/55/15/571265515.db2.gz UYQGLONAZNPZMT-UHFFFAOYSA-N -1 0 402.461 1.792 50 0 HDAARM COc1ccc(CNC(=O)[C@H](C)OC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000010265594 571298727 /nfs/dbraw/zinc/29/87/27/571298727.db2.gz VNYBEPCDBUFFRP-ZDUSSCGKSA-N -1 0 406.460 1.928 50 0 HDAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@H]1CSCCC(=O)N1 ZINC000077101329 571311564 /nfs/dbraw/zinc/31/15/64/571311564.db2.gz DZIWLGZKHYZVJN-GFCCVEGCSA-N -1 0 412.518 1.504 50 0 HDAARM C[C@H]1Cn2c(nc3c2c(=O)n(CC(=O)[O-])c(=O)n3C)N(c2ccc(Cl)cc2)C1 ZINC000004370774 132276109 /nfs/dbraw/zinc/27/61/09/132276109.db2.gz HBDZARNFLOFUTA-SNVBAGLBSA-N -1 0 403.826 1.423 50 0 HDAARM CC(=O)N1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)/C=C/C(=O)[O-])ccc32)CC1 ZINC000032102209 519590738 /nfs/dbraw/zinc/59/07/38/519590738.db2.gz SPGWZQKCCYDPBW-VZSQWMKGSA-N -1 0 414.418 1.037 50 0 HDAARM COc1cc2c(cc1OC)[C@@H](c1c([O-])[nH]c(=O)n(-c3cccc(C)c3)c1=O)NCC2 ZINC000020113803 523038389 /nfs/dbraw/zinc/03/83/89/523038389.db2.gz QXHNKFJXTHVBAB-IBGZPJMESA-N -1 0 409.442 1.792 50 0 biogenic HDAARM COCCOC1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)C1 ZINC000072309962 523976517 /nfs/dbraw/zinc/97/65/17/523976517.db2.gz MUXFNYZNZONZMZ-UHFFFAOYSA-N -1 0 420.487 1.983 50 0 HDAARM C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)cc2)C1=O ZINC000041182025 525165164 /nfs/dbraw/zinc/16/51/64/525165164.db2.gz IGMPXNYRXGKSKX-SNVBAGLBSA-N -1 0 404.400 1.655 50 0 HDAARM CS(=O)(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(Br)ccc32)CC1 ZINC000032105182 525177493 /nfs/dbraw/zinc/17/74/93/525177493.db2.gz XESHWNANKCUGBJ-CQSZACIVSA-N -1 0 416.297 1.633 50 0 HDAARM CN1C(=O)COc2ccc(S(=O)(=O)NCCOc3cccc(C(=O)[O-])c3)cc21 ZINC000006668684 536315498 /nfs/dbraw/zinc/31/54/98/536315498.db2.gz XANCCDXXYWNZJU-UHFFFAOYSA-N -1 0 406.416 1.097 50 0 HDAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCO3)cc2)nc(OC)n1 ZINC000001054853 557161393 /nfs/dbraw/zinc/16/13/93/557161393.db2.gz JFQNXINPEZTXLT-ZDUSSCGKSA-N -1 0 408.436 1.412 50 0 HDAARM COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c([O-])[nH]c(=O)n(-c2ccc(F)cc2)c1=O ZINC000002267609 557332949 /nfs/dbraw/zinc/33/29/49/557332949.db2.gz GOPWKOUBHIQAQM-HNNXBMFYSA-N -1 0 414.345 1.648 50 0 HDAARM Nc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)s1 ZINC000002841520 557401014 /nfs/dbraw/zinc/40/10/14/557401014.db2.gz LJVNGLLHAQLYAN-UHFFFAOYSA-N -1 0 423.505 1.442 50 0 HDAARM O=C1N[C@H](c2ccc3c(c2)OCO3)C(=C([O-])c2cccnc2)[C@@](O)(C(F)(F)F)N1 ZINC000004269938 557534022 /nfs/dbraw/zinc/53/40/22/557534022.db2.gz NGXKDHNDHYWXGJ-JJRVBVJISA-N -1 0 409.320 1.914 50 0 HDAARM Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])CC2)c1 ZINC000006741133 557718509 /nfs/dbraw/zinc/71/85/09/557718509.db2.gz CULVBXDNGNCMOW-IRXDYDNUSA-N -1 0 406.504 1.803 50 0 HDAARM CCc1nnc(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[n-]2)s1 ZINC000002712546 557742338 /nfs/dbraw/zinc/74/23/38/557742338.db2.gz DJKXCAPMHFIEEK-UHFFFAOYSA-N -1 0 421.464 1.342 50 0 HDAARM COC(=O)c1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2 ZINC000002787367 557759183 /nfs/dbraw/zinc/75/91/83/557759183.db2.gz VQLVVSSITWIBES-IAGOWNOFSA-N -1 0 407.386 1.405 50 0 HDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000008816109 557809937 /nfs/dbraw/zinc/80/99/37/557809937.db2.gz NNUVPLSYDKKIOJ-CYBMUJFWSA-N -1 0 419.434 1.642 50 0 HDAARM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c2c1 ZINC000020715132 558400980 /nfs/dbraw/zinc/40/09/80/558400980.db2.gz CVOQQXZBZJLKIW-UGSOOPFHSA-N -1 0 407.492 1.107 50 0 HDAARM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)nn1CC(=O)N1CCN(C)CC1 ZINC000012846614 558478882 /nfs/dbraw/zinc/47/88/82/558478882.db2.gz XBZXEDACRQSGPH-UHFFFAOYSA-N -1 0 411.915 1.420 50 0 HDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4)c=3c2=O)cc1OC ZINC000004484132 558603394 /nfs/dbraw/zinc/60/33/94/558603394.db2.gz ROELBKAAFDERPD-QZTJIDSGSA-N -1 0 409.402 1.636 50 0 HDAARM O=C([C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)c2ccccc2O1)N1CCOCC1 ZINC000014094989 558619774 /nfs/dbraw/zinc/61/97/74/558619774.db2.gz MLKGSSSDZXTEBL-INIZCTEOSA-N -1 0 412.471 1.611 50 0 HDAARM Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])CC2)cc1C ZINC000017087359 558816232 /nfs/dbraw/zinc/81/62/32/558816232.db2.gz STFKPANHYKMSDT-MSOLQXFVSA-N -1 0 406.504 1.803 50 0 HDAARM O=C([N-]n1c(=O)c2ccccc2[nH]c1=S)c1n[nH]cc1I ZINC000017089445 558818044 /nfs/dbraw/zinc/81/80/44/558818044.db2.gz INBBITKLYJKWOW-UHFFFAOYSA-N -1 0 413.200 1.397 50 0 HDAARM C[C@]1([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)CCS(=O)(=O)C1 ZINC000033047840 558883680 /nfs/dbraw/zinc/88/36/80/558883680.db2.gz NIIDEHDUWSRNEA-NSHDSACASA-N -1 0 404.254 1.583 50 0 HDAARM C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1c[nH]c(=O)[nH]c1=O)c1ccccc1 ZINC000033330735 559061866 /nfs/dbraw/zinc/06/18/66/559061866.db2.gz ICQAKRYIXMZBLF-LBPRGKRZSA-N -1 0 414.443 1.355 50 0 HDAARM COc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c(OC)cc1Cl ZINC000023371717 559173546 /nfs/dbraw/zinc/17/35/46/559173546.db2.gz DYWRCIQQFLEHCU-UHFFFAOYSA-N -1 0 411.823 1.688 50 0 HDAARM Cc1ccc(C(=O)Nc2c(N)nc(SCC(=O)NC[C@@H]3CCCO3)[n-]c2=O)cc1 ZINC000005081756 559242743 /nfs/dbraw/zinc/24/27/43/559242743.db2.gz BMQRKTFMHRWIKW-ZDUSSCGKSA-N -1 0 417.491 1.300 50 0 HDAARM O=S(=O)([N-]c1cc(-c2ccccc2)nn1[C@H]1CCS(=O)(=O)C1)c1c[nH]cn1 ZINC000011795831 559259617 /nfs/dbraw/zinc/25/96/17/559259617.db2.gz FXPOLLBXPPBVLS-ZDUSSCGKSA-N -1 0 407.477 1.434 50 0 HDAARM Cc1ccc(-c2cc([N-]S(=O)(=O)c3c[nH]cn3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000011795836 559259780 /nfs/dbraw/zinc/25/97/80/559259780.db2.gz JGKIIKHZKSZXHZ-CQSZACIVSA-N -1 0 421.504 1.742 50 0 HDAARM C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000005268917 560559923 /nfs/dbraw/zinc/55/99/23/560559923.db2.gz DZUBBBDYRNHBCS-GXTWGEPZSA-N -1 0 405.426 1.007 50 0 HDAARM CSCC[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)N[C@@H](C)C(=O)[O-] ZINC000005489034 560597772 /nfs/dbraw/zinc/59/77/72/560597772.db2.gz IQWFGUQAIYZERE-AAEUAGOBSA-N -1 0 405.480 1.277 50 0 HDAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000018176130 560781364 /nfs/dbraw/zinc/78/13/64/560781364.db2.gz VKYJUMVBVMBKBV-DGCLKSJQSA-N -1 0 408.208 1.088 50 0 HDAARM CCc1ccc2nc(NC(=O)c3c(C)[n-]n([C@H]4CCS(=O)(=O)C4)c3=O)sc2c1 ZINC000101186901 560789046 /nfs/dbraw/zinc/78/90/46/560789046.db2.gz GJDWADIWXQMYOF-WFASDCNBSA-N -1 0 420.516 1.819 50 0 HDAARM CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@@H]1c1ccc(O)cc1 ZINC000101456120 560795363 /nfs/dbraw/zinc/79/53/63/560795363.db2.gz ZEXJXMKCGBEIOA-GOSISDBHSA-N -1 0 420.425 1.694 50 0 HDAARM O=c1[nH]c(=O)n(Cc2ccccc2)c([O-])c1C1=NN[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000101762434 560800458 /nfs/dbraw/zinc/80/04/58/560800458.db2.gz XPZSPDLCBSTOHB-CQSZACIVSA-N -1 0 406.398 1.458 50 0 HDAARM O=C([O-])CC[C@@]1(CCC(=O)N2CCCN(Cc3ccccn3)CC2)CCC(=O)N1 ZINC000220249639 568503928 /nfs/dbraw/zinc/50/39/28/568503928.db2.gz IDYOBIDEMCLIRX-NRFANRHFSA-N -1 0 402.495 1.410 50 0 HDAARM Cc1cccc(CN2CCN(C(=O)CC[C@]3(CCC(=O)[O-])CCC(=O)N3)CC2)c1 ZINC000223678949 568555948 /nfs/dbraw/zinc/55/59/48/568555948.db2.gz PEKKCCJUWKSJTK-QFIPXVFZSA-N -1 0 401.507 1.933 50 0 HDAARM CCNC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)nc2ccccc21 ZINC000095444330 568611481 /nfs/dbraw/zinc/61/14/81/568611481.db2.gz GJPDVYSSNRFGKA-UHFFFAOYSA-N -1 0 424.438 1.669 50 0 HDAARM CCCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)ccc2S(N)(=O)=O)cc1 ZINC000225395688 568633789 /nfs/dbraw/zinc/63/37/89/568633789.db2.gz FYDQAQVQRPQRGM-UHFFFAOYSA-N -1 0 412.489 1.874 50 0 HDAARM Cc1cc([N-]S(=O)(=O)c2c(Br)cnn2C)n(-c2ccc(C)nn2)n1 ZINC000225666055 568662047 /nfs/dbraw/zinc/66/20/47/568662047.db2.gz RRSBXKRTMQPKGF-UHFFFAOYSA-N -1 0 412.273 1.576 50 0 HDAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCC(=O)NC[C@@H]1CCCO1)c2=O ZINC000012415899 568718000 /nfs/dbraw/zinc/71/80/00/568718000.db2.gz ZDXNKZHJDLICKB-ZDUSSCGKSA-N -1 0 405.476 1.921 50 0 HDAARM Cc1cc([N-]S(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)n(C)n1 ZINC000079061503 568755589 /nfs/dbraw/zinc/75/55/89/568755589.db2.gz FSMJXCAINUBEJX-UHFFFAOYSA-N -1 0 401.242 1.623 50 0 HDAARM CCc1nc2sc([C@H](c3ccc(OC)cc3)N3CCN(CCO)CC3)c([O-])n2n1 ZINC000022578304 568770447 /nfs/dbraw/zinc/77/04/47/568770447.db2.gz CIKRCMZNASQCDH-KRWDZBQOSA-N -1 0 417.535 1.767 50 0 HDAARM CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C(=O)NC)c2)c1 ZINC000057279446 568825606 /nfs/dbraw/zinc/82/56/06/568825606.db2.gz YWDBLYJIYSYNHK-UHFFFAOYSA-N -1 0 416.463 1.529 50 0 HDAARM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cc1S(N)(=O)=O ZINC000031667232 568837470 /nfs/dbraw/zinc/83/74/70/568837470.db2.gz JMDOHLHYNKZBBM-UHFFFAOYSA-N -1 0 400.434 1.155 50 0 HDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000012526141 568843067 /nfs/dbraw/zinc/84/30/67/568843067.db2.gz UKMLRGZCICMALX-MRXNPFEDSA-N -1 0 409.533 1.923 50 0 HDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(S(=O)(=O)N2CCCCC2)ccc1O ZINC000012541727 568848786 /nfs/dbraw/zinc/84/87/86/568848786.db2.gz IPQHKMZLQCGJSX-UHFFFAOYSA-N -1 0 415.493 1.972 50 0 HDAARM O=C(NCc1ccccn1)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000012548628 568851640 /nfs/dbraw/zinc/85/16/40/568851640.db2.gz JJQNBKPQMRBRJI-UHFFFAOYSA-N -1 0 423.454 1.982 50 0 HDAARM O=C(NCc1cccnc1)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000012552352 568854179 /nfs/dbraw/zinc/85/41/79/568854179.db2.gz NNZHCJIXRMVKDE-UHFFFAOYSA-N -1 0 423.454 1.982 50 0 HDAARM COc1cccc(NC(=O)COC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000003426980 568900649 /nfs/dbraw/zinc/90/06/49/568900649.db2.gz SDVGLXDPAMFSOW-UHFFFAOYSA-N -1 0 414.386 1.434 50 0 HDAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NC3CC3)cc2)c1 ZINC000012653010 568906654 /nfs/dbraw/zinc/90/66/54/568906654.db2.gz KUACNUSEMIDNDM-UHFFFAOYSA-N -1 0 412.489 1.945 50 0 HDAARM COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1oc(CN2CCOCC2)cc(=O)c1O ZINC000217734238 568908814 /nfs/dbraw/zinc/90/88/14/568908814.db2.gz BBQCRPPYGCFNBK-INIZCTEOSA-N -1 0 417.414 1.571 50 0 biogenic HDAARM CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(CCOC)c3=O)C1 ZINC000004004993 568933065 /nfs/dbraw/zinc/93/30/65/568933065.db2.gz NZSSTDAPMXJKSY-CQSZACIVSA-N -1 0 419.503 1.747 50 0 HDAARM Cc1ccc(C(=O)N2CCC(NS(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC000670456216 568936381 /nfs/dbraw/zinc/93/63/81/568936381.db2.gz UONVARYIJHBPDD-MRXNPFEDSA-N -1 0 409.508 1.231 50 0 HDAARM COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CCOC[C@@H]43)C2=O)cc1 ZINC000008695443 568938434 /nfs/dbraw/zinc/93/84/34/568938434.db2.gz ZLYAYEXGIWYEGH-GCJKJVERSA-N -1 0 407.426 1.726 50 0 HDAARM CC(C)C[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000004090778 568942206 /nfs/dbraw/zinc/94/22/06/568942206.db2.gz LVCIHWDSZSUXFR-WMLDXEAASA-N -1 0 404.467 1.795 50 0 biogenic HDAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCc1ccc(S(N)(=O)=O)cc1)c2=O ZINC000002232623 569007145 /nfs/dbraw/zinc/00/71/45/569007145.db2.gz QFTPRNRUZOPCHP-UHFFFAOYSA-N -1 0 419.484 1.736 50 0 HDAARM CCOc1ccc(Br)cc1S(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000006147870 569014835 /nfs/dbraw/zinc/01/48/35/569014835.db2.gz DFQZQDSQFUJUKM-LLVKDONJSA-N -1 0 418.269 1.545 50 0 HDAARM CC(=O)Nc1ccc(N2CCN(CC(=O)NCc3ccccc3)CC2)cc1C(=O)[O-] ZINC000064590037 569069126 /nfs/dbraw/zinc/06/91/26/569069126.db2.gz PGHXYUGIZVDQMB-UHFFFAOYSA-N -1 0 410.474 1.782 50 0 HDAARM CCCOC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3ccc(C)cn3)cc2oc1=O ZINC000064818828 569101666 /nfs/dbraw/zinc/10/16/66/569101666.db2.gz IQBFUNNFSUERAA-UHFFFAOYSA-N -1 0 405.432 2.052 50 0 HDAARM CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(S(C)(=O)=O)CC3)c2c1 ZINC000036354831 569148194 /nfs/dbraw/zinc/14/81/94/569148194.db2.gz JRJRWFFXYJSQIZ-QGZVFWFLSA-N -1 0 422.507 1.465 50 0 HDAARM O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1ccccc1CN1CCOCC1 ZINC000170617279 569248049 /nfs/dbraw/zinc/24/80/49/569248049.db2.gz KJCFYQGXJGQFPM-UHFFFAOYSA-N -1 0 409.895 1.827 50 0 HDAARM COc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000013690614 569257163 /nfs/dbraw/zinc/25/71/63/569257163.db2.gz ZQQZTLDGANSMTP-GFCCVEGCSA-N -1 0 410.473 1.809 50 0 HDAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000006731495 569280131 /nfs/dbraw/zinc/28/01/31/569280131.db2.gz FXZBYQWHEGCTQW-JOCCRWCTSA-N -1 0 424.494 1.796 50 0 HDAARM Cc1cc(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c2c(C)cc(=O)oc2c1 ZINC000002120997 569285483 /nfs/dbraw/zinc/28/54/83/569285483.db2.gz CCWWMDNWHGOHLV-IBGZPJMESA-N -1 0 404.419 1.130 50 0 biogenic HDAARM O=C([O-])CNC(=O)CNC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000040266671 571212978 /nfs/dbraw/zinc/21/29/78/571212978.db2.gz YVJSRHQAWBGCRX-UHFFFAOYSA-N -1 0 402.259 1.976 50 0 HDAARM COc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(Br)c2)c(OC)c1 ZINC000069419201 571227720 /nfs/dbraw/zinc/22/77/20/571227720.db2.gz WAGUQIMQAWJDNY-UHFFFAOYSA-N -1 0 401.238 1.980 50 0 HDAARM Nc1nc([N-][C@H](O)C(Cl)(Cl)Cl)[nH+]c([N-][C@@H](O)C(Cl)(Cl)Cl)n1 ZINC000025666835 571315566 /nfs/dbraw/zinc/31/55/66/571315566.db2.gz KSWAAUWXVSYKCI-XIXRPRMCSA-N -1 0 420.899 1.655 50 0 HDAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc5c(c4)OCO5)c=3c2=O)cc1C ZINC000101389435 571317813 /nfs/dbraw/zinc/31/78/13/571317813.db2.gz MVAHQIYPICVHPI-MOPGFXCFSA-N -1 0 421.413 1.964 50 0 HDAARM O=C([O-])c1cc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1Cl ZINC000004271860 132274181 /nfs/dbraw/zinc/27/41/81/132274181.db2.gz FPDXXPAYGWNPGL-UHFFFAOYSA-N -1 0 420.857 1.640 50 0 HDAARM O=C([O-])CCSCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000012793535 132449192 /nfs/dbraw/zinc/44/91/92/132449192.db2.gz QLWFWUVULIPORN-UHFFFAOYSA-N -1 0 412.533 1.958 50 0 HDAARM CC(=O)N1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)CCC(=O)[O-])cc32)CC1 ZINC000031817774 519591222 /nfs/dbraw/zinc/59/12/22/519591222.db2.gz LDYOQIBBBNHSHL-LJQANCHMSA-N -1 0 416.434 1.261 50 0 HDAARM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)OC)cc1 ZINC000032755193 522297052 /nfs/dbraw/zinc/29/70/52/522297052.db2.gz LJUPVAIXAFPBMK-UHFFFAOYSA-N -1 0 418.880 1.836 50 0 HDAARM O=C([O-])CNC(=O)CNC(=O)Cc1csc(-c2cccc(Cl)c2Cl)n1 ZINC000040287573 527611087 /nfs/dbraw/zinc/61/10/87/527611087.db2.gz VSJMFQALWYPSRA-UHFFFAOYSA-N -1 0 402.259 1.976 50 0 HDAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCOCC2)cc1OC ZINC000000811739 557087828 /nfs/dbraw/zinc/08/78/28/557087828.db2.gz XYFGXKGFBUPYNR-UHFFFAOYSA-N -1 0 406.460 1.977 50 0 HDAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nnnn3C)ccc2OC)cc1 ZINC000000972701 557128154 /nfs/dbraw/zinc/12/81/54/557128154.db2.gz YBARWGMKSXZZEK-UHFFFAOYSA-N -1 0 417.447 1.863 50 0 HDAARM CCOC(=O)[C@@]([N-]c1ncccn1)(NS(=O)(=O)c1ccccc1)C(F)(F)F ZINC000002050603 557300845 /nfs/dbraw/zinc/30/08/45/557300845.db2.gz POHDILHXMPSPMF-CQSZACIVSA-N -1 0 404.370 1.689 50 0 HDAARM COc1ccc(CC(=O)NC(=S)Nc2ccc(S(=O)(=O)[N-]C(C)=O)cc2)cc1 ZINC000002135711 557317344 /nfs/dbraw/zinc/31/73/44/557317344.db2.gz FWTQBMLOHVSGMK-UHFFFAOYSA-N -1 0 421.500 1.576 50 0 HDAARM COc1ccc2c(c1OC)C(=O)O[C@H]2c1c([O-])[nH]c(=O)n(-c2ccc(F)cc2)c1=O ZINC000002267608 557332923 /nfs/dbraw/zinc/33/29/23/557332923.db2.gz GOPWKOUBHIQAQM-OAHLLOKOSA-N -1 0 414.345 1.648 50 0 HDAARM Cc1ccc(S(=O)(=O)n2cnc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])c2)cc1 ZINC000002384952 557342685 /nfs/dbraw/zinc/34/26/85/557342685.db2.gz DCLJSEPKYJSEHW-OAHLLOKOSA-N -1 0 409.464 1.949 50 0 HDAARM Cc1cc(Cl)c(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)cc1OCC(N)=O ZINC000002846297 557402669 /nfs/dbraw/zinc/40/26/69/557402669.db2.gz ZATPPEBXJKUXCS-UHFFFAOYSA-N -1 0 412.851 1.689 50 0 HDAARM O=C([O-])c1ccc(C(=O)c2ccc3c(c2)C(=O)N(NC(=O)c2ccncc2)C3=O)cc1 ZINC000003146356 557451229 /nfs/dbraw/zinc/45/12/29/557451229.db2.gz SQEQFVOBKBOLBF-UHFFFAOYSA-N -1 0 415.361 1.952 50 0 HDAARM Cc1ccc(-c2nnc(CCC(=O)NCCCN3CCOCC3)c(=O)[n-]2)cc1Cl ZINC000034767817 557462707 /nfs/dbraw/zinc/46/27/07/557462707.db2.gz FDTQPFGAHAWHOP-UHFFFAOYSA-N -1 0 419.913 1.977 50 0 HDAARM COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cn1[n-]c(=O)ccc1=O ZINC000014183427 558629176 /nfs/dbraw/zinc/62/91/76/558629176.db2.gz OHQJXVMYBCFJBG-UHFFFAOYSA-N -1 0 424.413 1.445 50 0 HDAARM CCOc1nc(CC)nc(NC(=O)[N-]S(=O)(=O)c2ccccc2C(=O)OC)n1 ZINC000022016309 558778652 /nfs/dbraw/zinc/77/86/52/558778652.db2.gz NEUWCUBWMBDYJY-UHFFFAOYSA-N -1 0 409.424 1.130 50 0 HDAARM Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])CC2)cc1C ZINC000017087360 558816213 /nfs/dbraw/zinc/81/62/13/558816213.db2.gz STFKPANHYKMSDT-ROUUACIJSA-N -1 0 406.504 1.803 50 0 HDAARM CCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])CC2)cc1 ZINC000017088019 558816736 /nfs/dbraw/zinc/81/67/36/558816736.db2.gz SOVOGVMUWDGPJI-QZTJIDSGSA-N -1 0 408.520 1.973 50 0 HDAARM CCOC(=O)C1CCN(C(=O)Cn2c([O-])nc3c(-c4ccccc4)c[nH]c3c2=O)CC1 ZINC000033038008 558862668 /nfs/dbraw/zinc/86/26/68/558862668.db2.gz UBPQBHZGLQDCGU-UHFFFAOYSA-N -1 0 424.457 1.899 50 0 HDAARM Nc1nn(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCOCC3)c2)c2ccccc12 ZINC000071405775 558897677 /nfs/dbraw/zinc/89/76/77/558897677.db2.gz CZMZZALCZSPQEA-UHFFFAOYSA-N -1 0 402.432 1.327 50 0 HDAARM COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)NC3CCCC3)[n-]c2=O)cc1 ZINC000011363932 559061686 /nfs/dbraw/zinc/06/16/86/559061686.db2.gz GRNNXHFLNLZHDD-UHFFFAOYSA-N -1 0 417.491 1.764 50 0 HDAARM COc1ccc(-c2nc(S[C@H](C)C(=O)[O-])c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000004960350 559216894 /nfs/dbraw/zinc/21/68/94/559216894.db2.gz APWVUNVUVIFJOU-SECBINFHSA-N -1 0 402.432 1.268 50 0 HDAARM COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000011858324 559263088 /nfs/dbraw/zinc/26/30/88/559263088.db2.gz KQPRUWLXIRMRGV-UHFFFAOYSA-N -1 0 410.473 1.871 50 0 HDAARM CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2c(C)nn(C)c2C)cc1 ZINC000005173646 559288328 /nfs/dbraw/zinc/28/83/28/559288328.db2.gz OZBLYGXPDUZZSH-UHFFFAOYSA-N -1 0 400.526 1.868 50 0 HDAARM O=c1n(CC[N-]S(=O)(=O)c2c(F)cccc2F)nc(-c2cccnc2)n1C1CC1 ZINC000206641085 560618526 /nfs/dbraw/zinc/61/85/26/560618526.db2.gz CFUONFALKVQYCT-UHFFFAOYSA-N -1 0 421.429 1.698 50 0 HDAARM CC[C@H](Sc1nc(N)c(NC(=O)c2ccc(OC)c(OC)c2)c(=O)[n-]1)C(=O)OC ZINC000018202418 560783875 /nfs/dbraw/zinc/78/38/75/560783875.db2.gz GKNDDJPZISLOLD-LBPRGKRZSA-N -1 0 422.463 1.665 50 0 HDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccccc4)c=3c2=O)cc1OC ZINC000101169921 560787841 /nfs/dbraw/zinc/78/78/41/560787841.db2.gz SHCQFVPVJYUYBJ-MOPGFXCFSA-N -1 0 423.429 1.313 50 0 HDAARM O=C([O-])C=CC(=O)N(Cc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000101406953 560794342 /nfs/dbraw/zinc/79/43/42/560794342.db2.gz LINZWRYGUMIPNB-QWGSZXSUSA-N -1 0 422.393 1.717 50 0 HDAARM CCCCn1c(=O)[nH]c(=O)c(C2=NN(C(C)=O)[C@@H](c3ccc4c(c3)OCO4)C2)c1[O-] ZINC000101455913 560795368 /nfs/dbraw/zinc/79/53/68/560795368.db2.gz MILXXFDHSFHQOQ-CQSZACIVSA-N -1 0 414.418 1.469 50 0 HDAARM CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@H]1c1ccc(O)cc1 ZINC000101456115 560795391 /nfs/dbraw/zinc/79/53/91/560795391.db2.gz ZEXJXMKCGBEIOA-SFHVURJKSA-N -1 0 420.425 1.694 50 0 HDAARM Cc1[n-]n(Cc2c(Cl)cccc2Cl)c(=O)c1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000101901845 560803903 /nfs/dbraw/zinc/80/39/03/560803903.db2.gz GWOIKHWXQAUTEJ-IINYFYTJSA-N -1 0 418.302 1.631 50 0 HDAARM COc1cccc(-c2ccc(=O)n(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])n2)c1 ZINC000049550438 568451961 /nfs/dbraw/zinc/45/19/61/568451961.db2.gz JPGDRONBSJCGTI-IBGZPJMESA-N -1 0 407.426 1.731 50 0 HDAARM C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(-n3ccc(C(=O)[O-])n3)c2)c1 ZINC000095389886 568509281 /nfs/dbraw/zinc/50/92/81/568509281.db2.gz IOVUMNWELWMGDY-UHFFFAOYSA-N -1 0 424.438 1.734 50 0 HDAARM Cc1cnc(C)c(N2CCN(C(=O)CC[C@@]3(CCC(=O)[O-])CCC(=O)N3)CC2)n1 ZINC000223743676 568557839 /nfs/dbraw/zinc/55/78/39/568557839.db2.gz ZFTUXNMJAXLPEI-HXUWFJFHSA-N -1 0 403.483 1.036 50 0 HDAARM O=C([O-])CC1(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCOCC1 ZINC000095970216 568671307 /nfs/dbraw/zinc/67/13/07/568671307.db2.gz DOBYTNIWYAWGAZ-UHFFFAOYSA-N -1 0 424.519 1.544 50 0 HDAARM Cc1noc(C2CCN(C(=O)C[N-]S(=O)(=O)c3c(F)cccc3F)CC2)n1 ZINC000239637012 568729715 /nfs/dbraw/zinc/72/97/15/568729715.db2.gz BIHBEKBRBUSXAX-UHFFFAOYSA-N -1 0 400.407 1.341 50 0 HDAARM C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34C(=O)[O-])[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 ZINC000253530287 568754178 /nfs/dbraw/zinc/75/41/78/568754178.db2.gz XJIILRFVONGQOG-KHPQIRNZSA-N -1 0 420.502 1.784 50 0 biogenic HDAARM COC(=O)c1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(C)cc3)c(=O)c1=2 ZINC000002787016 568808936 /nfs/dbraw/zinc/80/89/36/568808936.db2.gz QQBAHDQDWAKECP-ZWKOTPCHSA-N -1 0 421.413 1.714 50 0 HDAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1nc2ncccn2n1 ZINC000002808787 568811938 /nfs/dbraw/zinc/81/19/38/568811938.db2.gz WWFJSRQTHGMYBJ-UHFFFAOYSA-N -1 0 401.433 1.634 50 0 HDAARM Cc1c(C(C)C)c(=O)n(-c2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])cc2)n1C ZINC000216758941 568828668 /nfs/dbraw/zinc/82/86/68/568828668.db2.gz MGKRAFRNMRAKQO-MRXNPFEDSA-N -1 0 407.492 1.846 50 0 HDAARM CCOC(=O)C1=C([O-])C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@H]1c1ccccc1F ZINC000001251191 568908824 /nfs/dbraw/zinc/90/88/24/568908824.db2.gz AZKCZMSDMLGAMJ-INIZCTEOSA-N -1 0 420.418 1.936 50 0 HDAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)NCCCc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000670447264 568915807 /nfs/dbraw/zinc/91/58/07/568915807.db2.gz XXQYQMPHQUJMCY-NSHDSACASA-N -1 0 400.888 1.780 50 0 HDAARM C[C@H](O)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000004294963 568976293 /nfs/dbraw/zinc/97/62/93/568976293.db2.gz RRMAVULMYTWJOU-HOCLYGCPSA-N -1 0 406.479 1.906 50 0 HDAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000006328997 569043764 /nfs/dbraw/zinc/04/37/64/569043764.db2.gz PFTPRIZJZHTCIA-UHFFFAOYSA-N -1 0 400.478 1.755 50 0 HDAARM Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](C(=O)NCC(=O)[O-])c3ccccc3)ccc12 ZINC000035686271 569050580 /nfs/dbraw/zinc/05/05/80/569050580.db2.gz RCJDODISHKPZQJ-OAQYLSRUSA-N -1 0 424.409 1.539 50 0 HDAARM Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000089534540 569069982 /nfs/dbraw/zinc/06/99/82/569069982.db2.gz YQYKHPKFBJZSRC-GFCCVEGCSA-N -1 0 409.468 1.107 50 0 HDAARM CC1(C)CCc2c(cc(OCC(=O)NCC(=O)[O-])c3c4c(c(=O)oc23)CCC4)O1 ZINC000006624228 569075559 /nfs/dbraw/zinc/07/55/59/569075559.db2.gz LIMDAHSHZPXTMC-UHFFFAOYSA-N -1 0 401.415 1.965 50 0 biogenic HDAARM CCc1nc(Cn2c3ccc(S(=O)(=O)[N-]c4ccccn4)cc3oc2=O)no1 ZINC000064946903 569128570 /nfs/dbraw/zinc/12/85/70/569128570.db2.gz KXSKJRNFOZVPST-UHFFFAOYSA-N -1 0 401.404 1.784 50 0 HDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000006937863 569185222 /nfs/dbraw/zinc/18/52/22/569185222.db2.gz GUDDLQUQZSKDTE-GOSISDBHSA-N -1 0 418.471 1.815 50 0 HDAARM CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)[O-] ZINC000002111341 569284082 /nfs/dbraw/zinc/28/40/82/569284082.db2.gz AWWHCQCUTCGLFI-MGNBDDOMSA-N -1 0 418.446 1.390 50 0 biogenic HDAARM C[C@@H](OC[C@@H]1CCCCO1)C(=O)N1CCc2nc([N-]S(C)(=O)=O)sc2C1 ZINC000328592201 569415239 /nfs/dbraw/zinc/41/52/39/569415239.db2.gz MIPJVWGRWNQLKN-NEPJUHHUSA-N -1 0 403.526 1.374 50 0 HDAARM COc1cccc(-c2ccc(=O)n(CC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])n2)c1 ZINC000071328848 571292753 /nfs/dbraw/zinc/29/27/53/571292753.db2.gz JPGDRONBSJCGTI-LJQANCHMSA-N -1 0 407.426 1.731 50 0 HDAARM CC[C@@H](C)[C@@H](NC(=O)Cn1nc(-c2ccc(OC)c(OC)c2)ccc1=O)C(=O)[O-] ZINC000071335534 571292941 /nfs/dbraw/zinc/29/29/41/571292941.db2.gz RJCFXBUAYRABEN-CWTRNNRKSA-N -1 0 403.435 1.543 50 0 HDAARM CC[C@H](C)[C@H](NC(=O)Cn1nc(-c2ccc(OC)c(OC)c2)ccc1=O)C(=O)[O-] ZINC000071335532 571292981 /nfs/dbraw/zinc/29/29/81/571292981.db2.gz RJCFXBUAYRABEN-BUXKBTBVSA-N -1 0 403.435 1.543 50 0 HDAARM COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000010265595 571298731 /nfs/dbraw/zinc/29/87/31/571298731.db2.gz VNYBEPCDBUFFRP-CYBMUJFWSA-N -1 0 406.460 1.928 50 0 HDAARM COc1ccc(S(=O)(=O)[N-]c2nccc(N(C)C)n2)c(NC(=O)C(C)(C)C)c1 ZINC000095995723 571309273 /nfs/dbraw/zinc/30/92/73/571309273.db2.gz CAEPSGVVUVPTTR-UHFFFAOYSA-N -1 0 407.496 2.337 50 0 HDAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)[C@H]4CCCO4)CC3)cc21 ZINC000000794059 132232625 /nfs/dbraw/zinc/23/26/25/132232625.db2.gz QGQJASCJFHKNMO-GOSISDBHSA-N -1 0 417.437 1.686 50 0 HDAARM CCOc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC(=O)[O-])c(=O)n2C)cc1 ZINC000005251899 132304286 /nfs/dbraw/zinc/30/42/86/132304286.db2.gz VOEHBLZQKFOGPT-LBPRGKRZSA-N -1 0 413.434 1.168 50 0 HDAARM CC(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])N1CCN(Cc2nonc2C)CC1 ZINC000032074249 519734889 /nfs/dbraw/zinc/73/48/89/519734889.db2.gz BZMXQCSPPDCHFS-LJQANCHMSA-N -1 0 412.450 1.761 50 0 HDAARM COc1cc(OC)nc(NC(=O)[N-]S(=O)(=O)c2c(Cl)nc3ccccn32)n1 ZINC000002564434 557356864 /nfs/dbraw/zinc/35/68/64/557356864.db2.gz NAGRVUXEKKZNHT-UHFFFAOYSA-N -1 0 412.815 1.305 50 0 in-vitro HDAARM COC(=O)c1[n-]n(-c2ccc(OC)cc2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2 ZINC000005023433 557626988 /nfs/dbraw/zinc/62/69/88/557626988.db2.gz RQMYNOQGZLVAKN-FUHWJXTLSA-N -1 0 409.398 1.611 50 0 HDAARM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N(C)C)ccc2C)oc1C ZINC000008636557 557797831 /nfs/dbraw/zinc/79/78/31/557797831.db2.gz KEVOMSAEKGIPAM-UHFFFAOYSA-N -1 0 416.477 1.734 50 0 HDAARM CSCC[C@H](NS(=O)(=O)c1ccc(I)cc1)C(=O)[O-] ZINC000008834397 557811515 /nfs/dbraw/zinc/81/15/15/557811515.db2.gz ANJRVPMBSWVDGI-JTQLQIEISA-N -1 0 415.274 1.776 50 0 HDAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)[O-] ZINC000011767091 558273881 /nfs/dbraw/zinc/27/38/81/558273881.db2.gz HXZOBIAOZCNCQG-ZENOOKHLSA-N -1 0 400.472 1.842 50 0 HDAARM C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C(=O)[O-])[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 ZINC000013548090 558538505 /nfs/dbraw/zinc/53/85/05/558538505.db2.gz XJIILRFVONGQOG-IQVLAZHCSA-N -1 0 420.502 1.784 50 0 HDAARM COC(=O)c1c(N)sc2c1CCN(S(=O)(=O)c1ccc(CCC(=O)[O-])cc1)C2 ZINC000014183903 558629385 /nfs/dbraw/zinc/62/93/85/558629385.db2.gz JGHBCWSNRPGIAY-UHFFFAOYSA-N -1 0 424.500 1.881 50 0 HDAARM COc1ccc(-n2c3nc(-c4ccccc4[O-])nc(C(N)=O)c3[nH]c2=O)c(OC)c1 ZINC000004518778 558646567 /nfs/dbraw/zinc/64/65/67/558646567.db2.gz COBNJCKPRKTUJY-UHFFFAOYSA-N -1 0 407.386 1.598 50 0 HDAARM CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC000015990334 558765568 /nfs/dbraw/zinc/76/55/68/558765568.db2.gz GGMTXSJKWMRMCU-DZGCQCFKSA-N -1 0 413.515 1.754 50 0 HDAARM COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CCN(C(=O)NC[C@H]2CCCO2)C4)cc1 ZINC000097096282 558992085 /nfs/dbraw/zinc/99/20/85/558992085.db2.gz NAJWNYOILBJSET-MRXNPFEDSA-N -1 0 423.473 1.945 50 0 HDAARM CCOC(=O)CCNC(=O)N1CCc2c(nc3cc(-c4ccccc4)[n-]n3c2=O)C1 ZINC000097112141 558995499 /nfs/dbraw/zinc/99/54/99/558995499.db2.gz XYWIXYQJGPNYRL-UHFFFAOYSA-N -1 0 409.446 1.711 50 0 HDAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1OC ZINC000100033463 559129036 /nfs/dbraw/zinc/12/90/36/559129036.db2.gz PZLHQJVYXYHUTE-MOPGFXCFSA-N -1 0 423.429 1.944 50 0 HDAARM CCc1ccc(NC(=O)NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1 ZINC000100034092 559129041 /nfs/dbraw/zinc/12/90/41/559129041.db2.gz GIVPNWVZJVPCQT-MSOLQXFVSA-N -1 0 420.429 1.891 50 0 HDAARM CCCCc1ccc(NC(=O)CSc2nnc(CCC(=O)[O-])c(=O)n2N)cc1 ZINC000004854815 559192451 /nfs/dbraw/zinc/19/24/51/559192451.db2.gz AXYLWONYCOBQJI-UHFFFAOYSA-N -1 0 405.480 1.443 50 0 HDAARM COc1ccc(S(=O)(=O)[N-]c2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000011795974 559259795 /nfs/dbraw/zinc/25/97/95/559259795.db2.gz PZDITQVTNOBRPF-GFCCVEGCSA-N -1 0 415.493 1.369 50 0 HDAARM Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000000847740 559288624 /nfs/dbraw/zinc/28/86/24/559288624.db2.gz NDDQFSUDDIBYFQ-UHFFFAOYSA-N -1 0 404.444 1.966 50 0 HDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4)c=3c2=O)cc1OC ZINC000101389962 560794123 /nfs/dbraw/zinc/79/41/23/560794123.db2.gz ROELBKAAFDERPD-ZWKOTPCHSA-N -1 0 409.402 1.636 50 0 HDAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cc(=O)n5ccccc5n4)c=3c2=O)cc1 ZINC000101417852 560794785 /nfs/dbraw/zinc/79/47/85/560794785.db2.gz DSOGYGLHIBWSEE-RBUKOAKNSA-N -1 0 418.413 1.587 50 0 HDAARM COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3[O-])=NN2)c(OC)c1 ZINC000101762342 560800470 /nfs/dbraw/zinc/80/04/70/560800470.db2.gz GRNMEBUHOXHYAU-MRXNPFEDSA-N -1 0 422.441 1.746 50 0 HDAARM COC(=O)c1[n-]n(C(C)(C)CC(C)=O)c2c(O)n(-c3ccc(OC)cc3)c(=O)c1-2 ZINC000102682279 560821225 /nfs/dbraw/zinc/82/12/25/560821225.db2.gz XFNVKIHFBGLOSW-GOEBONIOSA-N -1 0 401.419 1.156 50 0 HDAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)N1CCN(c2ccccc2)CC1 ZINC000102829282 560829733 /nfs/dbraw/zinc/82/97/33/560829733.db2.gz ADJGIYKAKRMJPL-WOJBJXKFSA-N -1 0 418.457 1.329 50 0 HDAARM COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)N1CCc2nc3cc[n-]n3c(=O)c2C1 ZINC000102991112 560836597 /nfs/dbraw/zinc/83/65/97/560836597.db2.gz QMHNHWNVKSEFPM-UHFFFAOYSA-N -1 0 416.441 1.718 50 0 HDAARM NC1=C2C(=O)Oc3ccccc3[C@@H]2[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]2S1 ZINC000107166505 560895616 /nfs/dbraw/zinc/89/56/16/560895616.db2.gz IOIIUUKIWGIEHC-IIAWOOMASA-N -1 0 422.418 1.863 50 0 HDAARM CS(=O)(=O)Nc1ccc(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000218144400 568475745 /nfs/dbraw/zinc/47/57/45/568475745.db2.gz IPXWPUAVXDMELA-SFHVURJKSA-N -1 0 415.471 1.894 50 0 HDAARM CN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cc2)CC1 ZINC000000816571 568495395 /nfs/dbraw/zinc/49/53/95/568495395.db2.gz NXQWCZDTTZJRQY-IAGOWNOFSA-N -1 0 409.508 1.452 50 0 HDAARM COc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1S(=O)(=O)N1CCOCC1 ZINC000000837309 568514829 /nfs/dbraw/zinc/51/48/29/568514829.db2.gz SVZOLXNTVHLINN-UHFFFAOYSA-N -1 0 420.443 1.667 50 0 HDAARM COc1cc2c(cc1OC)[C@H](c1c([O-])[nH]c(=O)n(-c3cccc(C)c3)c1=O)NCC2 ZINC000020113800 568589218 /nfs/dbraw/zinc/58/92/18/568589218.db2.gz QXHNKFJXTHVBAB-LJQANCHMSA-N -1 0 409.442 1.792 50 0 biogenic HDAARM O=c1[nH]c2nc(-c3ccccc3)c(-c3c(=O)[nH]c(=O)[nH]c3-n3cccc3)c-2c([O-])[nH]1 ZINC000020896786 568649365 /nfs/dbraw/zinc/64/93/65/568649365.db2.gz MTBYEPCMSSJOKI-UHFFFAOYSA-N -1 0 402.370 1.046 50 0 HDAARM CN(C)c1ccc(Br)c(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)[O-])C2)c1 ZINC000225617635 568657553 /nfs/dbraw/zinc/65/75/53/568657553.db2.gz URRQBJICBZBYMM-HZMBPMFUSA-N -1 0 421.313 1.361 50 0 HDAARM CN(C)c1ccc(Br)c(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)[O-])C2)c1 ZINC000225617609 568657697 /nfs/dbraw/zinc/65/76/97/568657697.db2.gz URRQBJICBZBYMM-IINYFYTJSA-N -1 0 421.313 1.361 50 0 HDAARM C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N(CC(=O)[O-])C[C@@H]1CCCO1 ZINC000095970203 568671340 /nfs/dbraw/zinc/67/13/40/568671340.db2.gz NFIBPFCDLZFDHF-UWVGGRQHSA-N -1 0 419.297 1.721 50 0 HDAARM O=C([O-])[C@H](NC(=O)CCNS(=O)(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000095989898 568677858 /nfs/dbraw/zinc/67/78/58/568677858.db2.gz QVHFDOGBZJOKDL-MRXNPFEDSA-N -1 0 416.377 1.714 50 0 HDAARM Cc1[n-]n(-c2ccccc2)c(=O)c1NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000096011289 568683944 /nfs/dbraw/zinc/68/39/44/568683944.db2.gz JQPMDSUEAOXFGQ-UHFFFAOYSA-N -1 0 419.484 1.605 50 0 HDAARM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000096013377 568685462 /nfs/dbraw/zinc/68/54/62/568685462.db2.gz XQFJQGNRSCLADG-UHFFFAOYSA-N -1 0 409.445 1.397 50 0 HDAARM COc1cccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(CCO)CC2)c1 ZINC000022459017 568768241 /nfs/dbraw/zinc/76/82/41/568768241.db2.gz WNUSEUJBQKVIKI-INIZCTEOSA-N -1 0 403.508 1.513 50 0 HDAARM CCc1nc2sc([C@@H](c3cccc(OC)c3)N3CCN(CCO)CC3)c([O-])n2n1 ZINC000022578289 568770489 /nfs/dbraw/zinc/77/04/89/568770489.db2.gz LNUWNWVFVMSFSG-QGZVFWFLSA-N -1 0 417.535 1.767 50 0 HDAARM CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3nn(C)c(C(F)(F)F)c3Cl)[C@@H]2SC1 ZINC000002783591 568808807 /nfs/dbraw/zinc/80/88/07/568808807.db2.gz HDVUMAIUFSHNAZ-MADCSZMMSA-N -1 0 424.788 1.464 50 0 HDAARM COc1cc(C(=O)N/C(=C/c2ccccc2)C(=O)NCC(=O)[O-])cc(OC)c1OC ZINC000002947041 568819991 /nfs/dbraw/zinc/81/99/91/568819991.db2.gz ZBQCPSWLXNZKPR-OQLLNIDSSA-N -1 0 414.414 1.684 50 0 biogenic HDAARM COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c(=O)[nH]c(=O)n(Cc2ccccc2)c1[O-] ZINC000004027379 568878323 /nfs/dbraw/zinc/87/83/23/568878323.db2.gz LUYBGRYMOONBTC-INIZCTEOSA-N -1 0 410.382 1.568 50 0 biogenic HDAARM COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2c(C)cccc2C(N)=O)c1 ZINC000012771845 568952098 /nfs/dbraw/zinc/95/20/98/568952098.db2.gz FFPFAHQENKTYBF-UHFFFAOYSA-N -1 0 406.416 1.468 50 0 HDAARM CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cn2[n-]c(=O)ccc2=O)c1 ZINC000008346180 568994720 /nfs/dbraw/zinc/99/47/20/568994720.db2.gz RDFFKCHRUDPAEQ-UHFFFAOYSA-N -1 0 414.443 1.000 50 0 HDAARM CCOC(=O)N1CCN(C(=O)Cc2c(C)[n-]n(-c3nc(C)c(C)s3)c2=O)CC1 ZINC000015858728 569014845 /nfs/dbraw/zinc/01/48/45/569014845.db2.gz MCVHPWLVEQOPDD-UHFFFAOYSA-N -1 0 407.496 1.803 50 0 HDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000012902346 569020676 /nfs/dbraw/zinc/02/06/76/569020676.db2.gz INVAINQMJKQVPC-IBGZPJMESA-N -1 0 419.437 1.760 50 0 biogenic HDAARM COCCNC(=O)CN1CCN(c2ccc(NC(=O)CC(C)C)c(C(=O)[O-])c2)CC1 ZINC000064589821 569069099 /nfs/dbraw/zinc/06/90/99/569069099.db2.gz JSZOHXDKSFAZHG-UHFFFAOYSA-N -1 0 420.510 1.254 50 0 HDAARM CCCNC(=O)CN1CCN(c2ccc(NC(=O)C3CCC3)c(C(=O)[O-])c2)CC1 ZINC000064590388 569069188 /nfs/dbraw/zinc/06/91/88/569069188.db2.gz PKUVFDBZNCNGHF-UHFFFAOYSA-N -1 0 402.495 1.772 50 0 HDAARM O=C1[N-]C(=O)C2(C(=O)N1)[C@H](c1ccc(F)cc1)NC(=S)N[C@H]2c1ccc(F)cc1 ZINC000013138661 569211506 /nfs/dbraw/zinc/21/15/06/569211506.db2.gz CKNSBQHSRAPRDG-KBPBESRZSA-N -1 0 416.409 1.577 50 0 HDAARM COc1ccc(CCNC(=O)c2c([O-])c3ccccc3n(CCC(N)=O)c2=O)cc1 ZINC000170624761 569249596 /nfs/dbraw/zinc/24/95/96/569249596.db2.gz XYIQLEFDMFYICA-UHFFFAOYSA-N -1 0 409.442 1.564 50 0 HDAARM Cc1cc(N2C(=O)C[C@H](Sc3ccc(NC(=O)C=CC(=O)[O-])cc3)C2=O)no1 ZINC000013578981 569256338 /nfs/dbraw/zinc/25/63/38/569256338.db2.gz BTCNSAXDTKJXAZ-YBJDMEARSA-N -1 0 401.400 1.987 50 0 HDAARM COc1ccc2c(c1OC)C(=O)O[C@H]2c1c([O-])[nH]c(=O)n(-c2cccc(C)c2)c1=O ZINC000002101933 569281596 /nfs/dbraw/zinc/28/15/96/569281596.db2.gz NILAAIMZUGEUBG-MRXNPFEDSA-N -1 0 410.382 1.817 50 0 biogenic HDAARM COc1cc(C)cc2oc(=O)c(CC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c12 ZINC000002117115 569284716 /nfs/dbraw/zinc/28/47/16/569284716.db2.gz SKDKSCVWVPKERD-IBGZPJMESA-N -1 0 418.446 1.303 50 0 biogenic HDAARM COc1cc2oc(=O)c(CC(=O)N[C@@H](CCSC)C(=O)[O-])c(C)c2cc1OC ZINC000002120430 569285350 /nfs/dbraw/zinc/28/53/50/569285350.db2.gz GYZKXWIBDHSWKV-ZDUSSCGKSA-N -1 0 409.460 1.984 50 0 biogenic HDAARM C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-] ZINC000004090404 569321479 /nfs/dbraw/zinc/32/14/79/569321479.db2.gz JCPMQVXUXGTSDW-BBRMVZONSA-N -1 0 410.430 1.355 50 0 biogenic HDAARM C[C@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000001576086 569356730 /nfs/dbraw/zinc/35/67/30/569356730.db2.gz UEAPJHKMJTZURQ-BMGDILEWSA-N -1 0 400.431 1.474 50 0 HDAARM C[C@@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C(=O)[O-])[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 ZINC000253530286 569382514 /nfs/dbraw/zinc/38/25/14/569382514.db2.gz XJIILRFVONGQOG-IWUPCRBTSA-N -1 0 420.502 1.784 50 0 biogenic HDAARM C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])n1nnc2ccccc2c1=O ZINC000002358641 569385605 /nfs/dbraw/zinc/38/56/05/569385605.db2.gz NTYVDUWYWLFUGG-SGTLLEGYSA-N -1 0 405.414 1.646 50 0 HDAARM COc1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1S(N)(=O)=O ZINC000013079034 569408801 /nfs/dbraw/zinc/40/88/01/569408801.db2.gz UNYLWNKFUOWJCZ-UHFFFAOYSA-N -1 0 414.461 1.161 50 0 HDAARM C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCc2nc([N-]S(C)(=O)=O)sc2C1 ZINC000328592203 569415319 /nfs/dbraw/zinc/41/53/19/569415319.db2.gz MIPJVWGRWNQLKN-RYUDHWBXSA-N -1 0 403.526 1.374 50 0 HDAARM CS(=O)(=O)c1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000067245482 571054006 /nfs/dbraw/zinc/05/40/06/571054006.db2.gz VZPUSEUOSXGRNW-UHFFFAOYSA-N -1 0 420.472 1.866 50 0 HDAARM CCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@@H](C(=O)[O-])C(C)C)ccc12 ZINC000008994749 571208559 /nfs/dbraw/zinc/20/85/59/571208559.db2.gz XMKHWSPYDQLNOQ-HXUWFJFHSA-N -1 0 418.446 1.466 50 0 HDAARM COc1cc([N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)cc(OC)c1OC ZINC000009228199 571239470 /nfs/dbraw/zinc/23/94/70/571239470.db2.gz FTDTZIZVZVZBMV-UHFFFAOYSA-N -1 0 407.404 1.857 50 0 HDAARM O=C(CCn1[n-]c(=O)ccc1=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000009377141 571253006 /nfs/dbraw/zinc/25/30/06/571253006.db2.gz JKLLOELEDSPWQU-UHFFFAOYSA-N -1 0 411.443 1.574 50 0 HDAARM COC(=O)c1ccc(OC)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)cc4)c(=O)c2=3)c1 ZINC000009837426 571287977 /nfs/dbraw/zinc/28/79/77/571287977.db2.gz GOPDGSUGORSHJQ-QZTJIDSGSA-N -1 0 424.413 1.984 50 0 HDAARM CSCC[C@@H](NC(=O)Cn1nc(-c2ccc(SC)cc2)ccc1=O)C(=O)[O-] ZINC000071333536 571292891 /nfs/dbraw/zinc/29/28/91/571292891.db2.gz XHEYYLZPZSURTA-OAHLLOKOSA-N -1 0 407.517 1.955 50 0 HDAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)cs2)nc1 ZINC000065097339 571308387 /nfs/dbraw/zinc/30/83/87/571308387.db2.gz ZAMYRLLTFBUQJM-UHFFFAOYSA-N -1 0 419.488 2.538 50 0 HDAARM CCc1nc(Cn2c3ccc(S(=O)(=O)[N-]c4cc(C)ccn4)cc3oc2=O)no1 ZINC000064946889 571309856 /nfs/dbraw/zinc/30/98/56/571309856.db2.gz YYGPIRIDYSTSGG-UHFFFAOYSA-N -1 0 415.431 2.092 50 0 HDAARM C[C@@H]1Cn2c(nc3c2c(=O)n(CC(=O)[O-])c(=O)n3C)N(c2cccc(Cl)c2)C1 ZINC000004370775 132276103 /nfs/dbraw/zinc/27/61/03/132276103.db2.gz ZKCHXPSRBWIWBB-JTQLQIEISA-N -1 0 403.826 1.423 50 0 HDAARM CCS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)[O-])O2 ZINC000005673631 132307443 /nfs/dbraw/zinc/30/74/43/132307443.db2.gz MOUSEADPKSDKPQ-INIZCTEOSA-N -1 0 411.457 1.521 50 0 HDAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(Sc2nncn2C)cc1 ZINC000032899944 521422606 /nfs/dbraw/zinc/42/26/06/521422606.db2.gz BDFPWIRBVMRCSF-UHFFFAOYSA-N -1 0 408.465 1.667 50 0 HDAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)Cc1csc(NC(=O)C2CC2)n1 ZINC000032936216 524345381 /nfs/dbraw/zinc/34/53/81/524345381.db2.gz HKLLRTOZUDFISB-UHFFFAOYSA-N -1 0 417.443 1.543 50 0 HDAARM NC(=O)c1c(SCC(=O)NCc2ccc(F)cc2)sc2c1[nH]c(=O)cc2[O-] ZINC000040283558 527019808 /nfs/dbraw/zinc/01/98/08/527019808.db2.gz YDKRCWGCBFEGOM-UHFFFAOYSA-N -1 0 407.448 1.942 50 0 HDAARM Cn1cnnc1SCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000002754421 557379899 /nfs/dbraw/zinc/37/98/99/557379899.db2.gz VLIMHLBATYKDCJ-UHFFFAOYSA-N -1 0 410.506 1.803 50 0 HDAARM Nc1cccc(C(=O)Nc2cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c2)c1 ZINC000002810834 557393910 /nfs/dbraw/zinc/39/39/10/557393910.db2.gz AOPDVNXDCYQIDT-UHFFFAOYSA-N -1 0 400.434 1.114 50 0 HDAARM CCOCCOc1ccc(-c2nnc(CCC(=O)NCCCOC)c(=O)[n-]2)cc1 ZINC000034763503 557461175 /nfs/dbraw/zinc/46/11/75/557461175.db2.gz ULNZZKSWGKDVTF-UHFFFAOYSA-N -1 0 404.467 1.745 50 0 HDAARM COCCOc1ccc(-c2nnc(CCC(=O)NCC(C)C)c(=O)[n-]2)cc1OC ZINC000034767190 557462440 /nfs/dbraw/zinc/46/24/40/557462440.db2.gz BZJGIMUTKHILDX-UHFFFAOYSA-N -1 0 404.467 1.983 50 0 HDAARM CN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc2)CC1 ZINC000004801831 557598745 /nfs/dbraw/zinc/59/87/45/557598745.db2.gz OZFLFESHOSDAAE-DLBZAZTESA-N -1 0 407.492 1.228 50 0 HDAARM CN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])cc2)CC1 ZINC000004801824 557598759 /nfs/dbraw/zinc/59/87/59/557598759.db2.gz OZFLFESHOSDAAE-IRXDYDNUSA-N -1 0 407.492 1.228 50 0 HDAARM CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)[O-] ZINC000004899703 557611366 /nfs/dbraw/zinc/61/13/66/557611366.db2.gz RDJOFHONSQXHOC-LBPRGKRZSA-N -1 0 403.476 1.776 50 0 HDAARM CCc1c(C(=O)OC)c2cc([N-]S(C)(=O)=O)c(OC)cc2n1S(C)(=O)=O ZINC000006142922 557690480 /nfs/dbraw/zinc/69/04/80/557690480.db2.gz LXOVXAKFVCYYEH-UHFFFAOYSA-N -1 0 404.466 1.178 50 0 HDAARM Cn1ccnc1SCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000006229136 557695042 /nfs/dbraw/zinc/69/50/42/557695042.db2.gz MIJCJFKSSXOXNR-UHFFFAOYSA-N -1 0 404.477 1.742 50 0 HDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000012379550 558392797 /nfs/dbraw/zinc/39/27/97/558392797.db2.gz FAJNYYVRCCPRPO-UHFFFAOYSA-N -1 0 409.508 1.735 50 0 HDAARM COc1ccc([C@@H]2C/C(=C3\C(=O)[N-]C(=O)N(C4CCCCC4)C3=O)NN2)cc1O ZINC000013549474 558538774 /nfs/dbraw/zinc/53/87/74/558538774.db2.gz NRYSGJINYXAONF-FSLWVPIDSA-N -1 0 400.435 1.605 50 0 HDAARM O=C([O-])Cn1c(=O)c2c3c(sc2n(CC(=O)Nc2nccs2)c1=O)CCCC3 ZINC000013608542 558548097 /nfs/dbraw/zinc/54/80/97/558548097.db2.gz WMDVKINSCPIKSL-UHFFFAOYSA-N -1 0 420.472 1.283 50 0 HDAARM Cn1ncc(C(=O)[O-])c1C(=O)N1CCN(c2nc(C3CC3)cc(C(F)(F)F)n2)CC1 ZINC000013645051 558556404 /nfs/dbraw/zinc/55/64/04/558556404.db2.gz LMAHAYONHLIGAX-UHFFFAOYSA-N -1 0 424.383 1.767 50 0 HDAARM COc1ccc([C@]2(C)NC(=O)N([N-]C(=O)c3cncc(Br)c3)C2=O)cc1 ZINC000014137429 558624300 /nfs/dbraw/zinc/62/43/00/558624300.db2.gz PAERCPQAEMRTAR-KRWDZBQOSA-N -1 0 419.235 1.965 50 0 HDAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1O ZINC000072306297 558765539 /nfs/dbraw/zinc/76/55/39/558765539.db2.gz QJKOZZLAZJTAJR-UHFFFAOYSA-N -1 0 412.445 1.332 50 0 HDAARM O=C(NCCCO)c1c(=O)[nH]c2c(Br)cc(Br)cc2c1[O-] ZINC000016996138 558811300 /nfs/dbraw/zinc/81/13/00/558811300.db2.gz YKWKWCCQGYDPDS-UHFFFAOYSA-N -1 0 420.057 1.871 50 0 HDAARM CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc(-c3cccc4ccnn43)c2)CC1 ZINC000071760176 558910156 /nfs/dbraw/zinc/91/01/56/558910156.db2.gz ZNLJYTNKRVACNR-UHFFFAOYSA-N -1 0 400.460 1.636 50 0 HDAARM CN1C[C@H](C(=O)N2CCc3c(c(C(=O)[O-])nn3CCCc3ccccc3)C2)CC1=O ZINC000067691243 558991538 /nfs/dbraw/zinc/99/15/38/558991538.db2.gz CZKVQHRBJJLHTG-MRXNPFEDSA-N -1 0 410.474 1.577 50 0 HDAARM Cc1ccc(C(=O)Nc2c(N)nc(SCC(=O)NCc3ccco3)[n-]c2=O)cc1 ZINC000011363933 559061691 /nfs/dbraw/zinc/06/16/91/559061691.db2.gz KZZONUSYWYCBPT-UHFFFAOYSA-N -1 0 413.459 1.914 50 0 HDAARM Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1ccccc1C(=O)NC1CCCCC1 ZINC000033330789 559061921 /nfs/dbraw/zinc/06/19/21/559061921.db2.gz NEHOAVWHMXXYEK-UHFFFAOYSA-N -1 0 406.464 1.235 50 0 HDAARM Cc1cc(Br)c(S(=O)(=O)[N-]c2nnn(C)n2)cc1Br ZINC000127691231 559177982 /nfs/dbraw/zinc/17/79/82/559177982.db2.gz KTKAGPJNAMUAGL-UHFFFAOYSA-N -1 0 411.079 1.844 50 0 HDAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1C ZINC000011858087 559262641 /nfs/dbraw/zinc/26/26/41/559262641.db2.gz OQLVTDFREUQXEI-UHFFFAOYSA-N -1 0 410.473 1.871 50 0 HDAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000011858136 559262708 /nfs/dbraw/zinc/26/27/08/559262708.db2.gz HEXFPXRHYJQCRK-UHFFFAOYSA-N -1 0 410.473 1.953 50 0 HDAARM Nc1c(Cl)cc(S(=O)(=O)[N-]C(=O)C(=O)Nc2cccc(O)c2)cc1Cl ZINC000001878629 560583521 /nfs/dbraw/zinc/58/35/21/560583521.db2.gz AERKDADFBHECQC-UHFFFAOYSA-N -1 0 404.231 1.725 50 0 HDAARM Cc1cc(O)c2c(C)c(CC(=O)N3CCC(C(=O)NCC(=O)[O-])CC3)c(=O)oc2c1 ZINC000005428301 560585878 /nfs/dbraw/zinc/58/58/78/560585878.db2.gz QVHHGKJORPGDFY-UHFFFAOYSA-N -1 0 416.430 1.097 50 0 HDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)cc4)c=3c2=O)cc1OC ZINC000101169773 560787847 /nfs/dbraw/zinc/78/78/47/560787847.db2.gz WOTGUKQLJAWQCU-OALUTQOASA-N -1 0 423.429 1.944 50 0 HDAARM CCCCn1c(=O)[nH]c(=O)c(C2=NN(C(C)=O)[C@H](c3ccc(OC)cc3)C2)c1[O-] ZINC000101456278 560795373 /nfs/dbraw/zinc/79/53/73/560795373.db2.gz PWTMAOBVTTWPSE-INIZCTEOSA-N -1 0 400.435 1.749 50 0 HDAARM CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@H]1c1ccccc1 ZINC000101456644 560795562 /nfs/dbraw/zinc/79/55/62/560795562.db2.gz ZMQPOXUSXMFDSJ-SFHVURJKSA-N -1 0 404.426 1.988 50 0 HDAARM CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C)c2[O-])C[C@@H]1c1ccc(Br)cc1 ZINC000101765981 560799716 /nfs/dbraw/zinc/79/97/16/560799716.db2.gz NCFGDBPFKVQDMW-GFCCVEGCSA-N -1 0 407.224 1.239 50 0 HDAARM COc1ccc(OC)c([C@H]2CC(c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3[O-])=NN2)c1 ZINC000101762311 560800486 /nfs/dbraw/zinc/80/04/86/560800486.db2.gz QUJAEVVMAOLJOE-MRXNPFEDSA-N -1 0 422.441 1.746 50 0 HDAARM COc1ccccc1-n1c(=O)[nH]c([O-])c(C2=NN[C@@H](c3ccc4c(c3)OCO4)C2)c1=O ZINC000101762825 560800709 /nfs/dbraw/zinc/80/07/09/560800709.db2.gz HQFLHTIYSZPOCC-GFCCVEGCSA-N -1 0 422.397 1.407 50 0 HDAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)N1CCN(c2ccccc2)CC1 ZINC000102829273 560829735 /nfs/dbraw/zinc/82/97/35/560829735.db2.gz ADJGIYKAKRMJPL-VQTJNVASSA-N -1 0 418.457 1.329 50 0 HDAARM CCOc1cccc(-c2nc3c([nH]c(=O)n3-c3ccccc3OC)c(C(N)=O)n2)c1[O-] ZINC000012140172 560890121 /nfs/dbraw/zinc/89/01/21/560890121.db2.gz AKOOBVFTXGUFNS-UHFFFAOYSA-N -1 0 421.413 1.988 50 0 HDAARM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000012236083 568455056 /nfs/dbraw/zinc/45/50/56/568455056.db2.gz DVAYODXYRGMDKC-GFCCVEGCSA-N -1 0 405.448 1.939 50 0 HDAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3cc(C)ccc3C)[C@H]2SC1 ZINC000008549598 568501527 /nfs/dbraw/zinc/50/15/27/568501527.db2.gz CDXCKCJXRMXOOX-RDTXWAMCSA-N -1 0 404.444 1.219 50 0 HDAARM COc1cccc(-n2nnc(C(=O)Nc3cccc(C(=O)NCC(=O)[O-])c3)c2C)c1 ZINC000095389897 568604006 /nfs/dbraw/zinc/60/40/06/568604006.db2.gz MXFKGTSCOMWUIK-UHFFFAOYSA-N -1 0 409.402 1.651 50 0 HDAARM CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)NCc1ccc(OC)cc1 ZINC000095445221 568611678 /nfs/dbraw/zinc/61/16/78/568611678.db2.gz JOECCRLHYDMUNT-UHFFFAOYSA-N -1 0 414.505 1.944 50 0 HDAARM O=C([O-])CN(C(=O)CCNS(=O)(=O)c1cccc(Br)c1)C1CC1 ZINC000095969892 568671286 /nfs/dbraw/zinc/67/12/86/568671286.db2.gz NOPXNVDLLIRNNC-UHFFFAOYSA-N -1 0 405.270 1.193 50 0 HDAARM COCCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000095970289 568671303 /nfs/dbraw/zinc/67/13/03/568671303.db2.gz UYMKLMWSNBNTDL-KDOFPFPSSA-N -1 0 420.487 1.803 50 0 HDAARM Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC2(C(=O)[O-])CCSCC2)c1 ZINC000095989709 568677511 /nfs/dbraw/zinc/67/75/11/568677511.db2.gz HDVYZDSABLDBJS-UHFFFAOYSA-N -1 0 400.522 1.438 50 0 HDAARM CCc1nc2sc([C@@H](c3ccc(OC)cc3)N3CCN(CCO)CC3)c([O-])n2n1 ZINC000022578299 568770357 /nfs/dbraw/zinc/77/03/57/568770357.db2.gz CIKRCMZNASQCDH-QGZVFWFLSA-N -1 0 417.535 1.767 50 0 HDAARM CCc1nc2sc([C@H](c3ccc(F)cc3)N3CCN(CCO)CC3)c([O-])n2n1 ZINC000022578251 568770454 /nfs/dbraw/zinc/77/04/54/568770454.db2.gz JUVAMYPDBBOJCV-INIZCTEOSA-N -1 0 405.499 1.897 50 0 HDAARM COC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccsc2C(=O)OC)cc1 ZINC000028779151 568807589 /nfs/dbraw/zinc/80/75/89/568807589.db2.gz ISZBFTMXEZZCLU-UHFFFAOYSA-N -1 0 412.445 1.238 50 0 HDAARM CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3nn(C)c(C(F)(F)F)c3Cl)[C@H]2SC1 ZINC000002783592 568808738 /nfs/dbraw/zinc/80/87/38/568808738.db2.gz HDVUMAIUFSHNAZ-JVXZTZIISA-N -1 0 424.788 1.464 50 0 HDAARM NC(=O)C1CCN(C(=O)CCCn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)CC1 ZINC000002975220 568832283 /nfs/dbraw/zinc/83/22/83/568832283.db2.gz IZAYPVSVASFGDI-UHFFFAOYSA-N -1 0 418.475 1.292 50 0 HDAARM CN1C(=O)Cc2cc(S(=O)(=O)Nc3cc4c(cc3C(=O)[O-])OCCO4)ccc21 ZINC000012648782 568885971 /nfs/dbraw/zinc/88/59/71/568885971.db2.gz DTSRGGLYHPZQDU-UHFFFAOYSA-N -1 0 404.400 1.476 50 0 HDAARM COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1oc(CN2CCOCC2)cc(=O)c1O ZINC000217734144 568908832 /nfs/dbraw/zinc/90/88/32/568908832.db2.gz BBQCRPPYGCFNBK-MRXNPFEDSA-N -1 0 417.414 1.571 50 0 biogenic HDAARM COC(=O)C[C@H](c1cc2c(c(OC)c1)OCO2)c1c(O)cc(C)n(CC(=O)[O-])c1=O ZINC000217818973 568914065 /nfs/dbraw/zinc/91/40/65/568914065.db2.gz IGPSLYMBHNARGV-GFCCVEGCSA-N -1 0 419.386 1.379 50 0 biogenic HDAARM CSCC[C@H](NC(=O)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)C(=O)[O-] ZINC000004090579 568942038 /nfs/dbraw/zinc/94/20/38/568942038.db2.gz IXIQDHNIVFMVMX-GJZGRUSLSA-N -1 0 405.476 1.088 50 0 biogenic HDAARM CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)NCCc1ncc(C)s1 ZINC000089274513 569053883 /nfs/dbraw/zinc/05/38/83/569053883.db2.gz AFFQWOOWALAQJR-UHFFFAOYSA-N -1 0 419.550 1.743 50 0 HDAARM O=C([O-])c1nn(CC(=O)NC(=O)CCSc2ccccc2)c(=O)c2ccccc21 ZINC000006609432 569072026 /nfs/dbraw/zinc/07/20/26/569072026.db2.gz ITGGIVRWZSCXNL-UHFFFAOYSA-N -1 0 411.439 1.920 50 0 HDAARM CCc1nn(CC)c(=O)c2cc(S(=O)(=O)[N-]c3cc(OC)cc(OC)c3)cn21 ZINC000065247270 569205812 /nfs/dbraw/zinc/20/58/12/569205812.db2.gz PDWXPPNMVZLNCL-UHFFFAOYSA-N -1 0 406.464 1.896 50 0 HDAARM COC(=O)c1cc(Br)ccc1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000170605272 569244158 /nfs/dbraw/zinc/24/41/58/569244158.db2.gz FWWGXFZNHHWJAE-CQSZACIVSA-N -1 0 406.254 1.864 50 0 HDAARM COCCNC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2OC)cc1 ZINC000013850671 569258197 /nfs/dbraw/zinc/25/81/97/569258197.db2.gz HGQYCUUTVZZOJN-UHFFFAOYSA-N -1 0 408.476 1.810 50 0 HDAARM CC(C)[C@H](NC(=O)CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-] ZINC000002115739 569284633 /nfs/dbraw/zinc/28/46/33/569284633.db2.gz OKLUYWIMZTVJSJ-IBGZPJMESA-N -1 0 416.430 1.002 50 0 biogenic HDAARM CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c(C)cc(=O)oc2c1)C(=O)[O-] ZINC000002122464 569285703 /nfs/dbraw/zinc/28/57/03/569285703.db2.gz SHHYSQQPBGNSEI-WLRWDXFRSA-N -1 0 404.419 1.212 50 0 biogenic HDAARM CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NCC(=O)NCC(=O)[O-])c12 ZINC000002123345 569285720 /nfs/dbraw/zinc/28/57/20/569285720.db2.gz ZNSRBZLZJLBBOZ-LBPRGKRZSA-N -1 0 404.419 1.138 50 0 biogenic HDAARM COCCNC(=O)c1c(N)n(-c2ccc(O)c(C(=O)[O-])c2)c2nc3ccccc3nc21 ZINC000002204415 569296195 /nfs/dbraw/zinc/29/61/95/569296195.db2.gz JTPMFQJLRKBSLK-UHFFFAOYSA-N -1 0 421.413 1.936 50 0 HDAARM O=C([O-])C[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CCO1 ZINC000170672688 569297792 /nfs/dbraw/zinc/29/77/92/569297792.db2.gz TZEZDMUQSUSWCS-INIZCTEOSA-N -1 0 404.444 1.803 50 0 HDAARM C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C(=O)[O-])[C@]1(O)CC[C@H]2C1=CC(=O)OC1 ZINC000253506777 569382419 /nfs/dbraw/zinc/38/24/19/569382419.db2.gz XJIILRFVONGQOG-AZISAFBISA-N -1 0 420.502 1.784 50 0 HDAARM C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C(=O)[O-])[C@]1(O)CC[C@H]2C1=CC(=O)OC1 ZINC000253506780 569382436 /nfs/dbraw/zinc/38/24/36/569382436.db2.gz XJIILRFVONGQOG-DVRHPWFCSA-N -1 0 420.502 1.784 50 0 HDAARM Cc1ccccc1-c1nc2s/c(=C3/c4ccccc4N(CC(=O)[O-])C3=O)c(=O)n2n1 ZINC000002391833 569393987 /nfs/dbraw/zinc/39/39/87/569393987.db2.gz RROLWIRJXRJIRH-MSUUIHNZSA-N -1 0 418.434 1.476 50 0 HDAARM COc1cc2c(cc1OC)[C@@H](c1c([O-])nc3n(c1=O)CCCS3)N(C(C)=O)CC2 ZINC000012661383 569402595 /nfs/dbraw/zinc/40/25/95/569402595.db2.gz PSFJJPBTWNYZMO-KRWDZBQOSA-N -1 0 417.487 1.956 50 0 biogenic HDAARM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)N(C)c2ccccc2C(N)=O)c1OC ZINC000013059254 569408306 /nfs/dbraw/zinc/40/83/06/569408306.db2.gz BZNYXXRYJIHLAS-CMDGGOBGSA-N -1 0 420.443 1.726 50 0 HDAARM Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3n[nH]c(=O)[n-]3)cc2)cc1 ZINC000078995257 569423183 /nfs/dbraw/zinc/42/31/83/569423183.db2.gz ZWFKOXQYLNICBR-UHFFFAOYSA-N -1 0 401.448 1.162 50 0 HDAARM CN1C(=O)COc2ccc(C([O-])=CS(=O)(=O)CC(=O)Nc3ccc(F)cc3)cc21 ZINC000019620779 569425539 /nfs/dbraw/zinc/42/55/39/569425539.db2.gz XIPZUIYUYCMQQO-UHFFFAOYSA-N -1 0 420.418 1.417 50 0 HDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008868976 571129627 /nfs/dbraw/zinc/12/96/27/571129627.db2.gz BPEGYNFSYFRUML-CQSZACIVSA-N -1 0 412.489 1.676 50 0 HDAARM O=C(c1ccc([O-])c(Cl)c1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000040050786 571144283 /nfs/dbraw/zinc/14/42/83/571144283.db2.gz DOIXZQNJFMCCEE-UHFFFAOYSA-N -1 0 401.916 1.924 50 0 HDAARM CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000009250342 571241908 /nfs/dbraw/zinc/24/19/08/571241908.db2.gz FVGFUZUXTSPCPI-UHFFFAOYSA-N -1 0 404.510 1.202 50 0 HDAARM COc1cc([C@@H]2C/C(=C3\C(=O)[N-]C(=O)N(C4CCCCC4)C3=O)NN2)ccc1O ZINC000009419932 571256753 /nfs/dbraw/zinc/25/67/53/571256753.db2.gz ODPIMDHTOKOGGI-FSLWVPIDSA-N -1 0 400.435 1.605 50 0 HDAARM NC(=O)C1CCN(C(=O)Cc2csc([N-]S(=O)(=O)c3ccccc3)n2)CC1 ZINC000009828737 571286918 /nfs/dbraw/zinc/28/69/18/571286918.db2.gz VYFLAKQLIBNVSM-UHFFFAOYSA-N -1 0 408.505 1.210 50 0 HDAARM COc1cc(NC(=O)Cc2csc([N-]S(C)(=O)=O)n2)cc(OC)c1OC ZINC000013692948 571308483 /nfs/dbraw/zinc/30/84/83/571308483.db2.gz PKHFPQHUTDRRGC-UHFFFAOYSA-N -1 0 401.466 1.722 50 0 HDAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc5c(c4)OCO5)c=3c2=O)cc1C ZINC000101389440 571317826 /nfs/dbraw/zinc/31/78/26/571317826.db2.gz MVAHQIYPICVHPI-RTBURBONSA-N -1 0 421.413 1.964 50 0 HDAARM Cc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1cccc(C(=O)[O-])c1)CN=3)C(=O)N2 ZINC000002431802 132254415 /nfs/dbraw/zinc/25/44/15/132254415.db2.gz NCNCNYVPLAYQNQ-MSUUIHNZSA-N -1 0 420.450 1.122 50 0 HDAARM CC(C)(C)OC(=O)NCCCOCCOCCOCCCNC(=O)CCC(=O)[O-] ZINC000045074618 518829489 /nfs/dbraw/zinc/82/94/89/518829489.db2.gz RTHQDNQOODHVLK-UHFFFAOYSA-N -1 0 420.503 1.322 50 0 HDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000007777995 519678882 /nfs/dbraw/zinc/67/88/82/519678882.db2.gz MOOLFFDLKMSVNL-OAHLLOKOSA-N -1 0 411.480 1.849 50 0 HDAARM CCCN1C(=S)N(CCO)C(=O)/C1=C/C=C1/Oc2ccccc2N1CCC(=O)[O-] ZINC000032169502 521703158 /nfs/dbraw/zinc/70/31/58/521703158.db2.gz JOROOBAQOSGEII-CZLYJICFSA-N -1 0 417.487 1.917 50 0 HDAARM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)cc1 ZINC000032926283 521988010 /nfs/dbraw/zinc/98/80/10/521988010.db2.gz PUXAWOPIUSFFPK-UHFFFAOYSA-N -1 0 406.489 1.923 50 0 HDAARM COC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000032903715 522622952 /nfs/dbraw/zinc/62/29/52/522622952.db2.gz IWKGUBOSXBWENX-NSHDSACASA-N -1 0 404.448 1.422 50 0 HDAARM C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(O)c3)cc2)C1=O ZINC000041182031 524748639 /nfs/dbraw/zinc/74/86/39/524748639.db2.gz NVWXNKMHKJRTMW-JTQLQIEISA-N -1 0 404.400 1.655 50 0 HDAARM CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000012889491 535704849 /nfs/dbraw/zinc/70/48/49/535704849.db2.gz PPCXCRNXNWQRBJ-DQYPLSBCSA-N -1 0 404.467 1.795 50 0 biogenic HDAARM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000000887988 557111762 /nfs/dbraw/zinc/11/17/62/557111762.db2.gz LDBHLEOOQJYZEV-UHFFFAOYSA-N -1 0 404.444 1.966 50 0 HDAARM O=C([O-])c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1 ZINC000000969159 557127480 /nfs/dbraw/zinc/12/74/80/557127480.db2.gz FXSPDOUCUXSMCG-CYBMUJFWSA-N -1 0 415.423 1.993 50 0 HDAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)nc(OC)n1 ZINC000001052410 557160341 /nfs/dbraw/zinc/16/03/41/557160341.db2.gz TZQWSBHHVRASSN-UHFFFAOYSA-N -1 0 406.342 1.795 50 0 HDAARM C[C@H](O)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004761969 557595642 /nfs/dbraw/zinc/59/56/42/557595642.db2.gz GIYVFJXSCLFRIL-VHSSKADRSA-N -1 0 416.430 1.180 50 0 HDAARM NC(=O)c1ccccc1NC(=O)CSC1=NC(=O)C(Cc2ccccc2)C([O-])=N1 ZINC000010076925 557854963 /nfs/dbraw/zinc/85/49/63/557854963.db2.gz PGIIYJUZKNUHQB-UHFFFAOYSA-N -1 0 410.455 1.896 50 0 HDAARM CCOC(=O)C1=C([O-])C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000020171615 558343601 /nfs/dbraw/zinc/34/36/01/558343601.db2.gz LLDBGHYSFDGOSS-MRXNPFEDSA-N -1 0 420.418 1.936 50 0 HDAARM CCNC(=O)CN1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(Br)cc32)CC1 ZINC000020718039 558401993 /nfs/dbraw/zinc/40/19/93/558401993.db2.gz PDZLZZXUSNTISK-QGZVFWFLSA-N -1 0 423.311 1.810 50 0 HDAARM CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)C(=O)[O-] ZINC000013623534 558550176 /nfs/dbraw/zinc/55/01/76/558550176.db2.gz RROSPHHFDVJEEB-ZQIUZPCESA-N -1 0 412.508 1.711 50 0 HDAARM Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000072191533 558563431 /nfs/dbraw/zinc/56/34/31/558563431.db2.gz IGPPOEWBWNOALD-UHFFFAOYSA-N -1 0 415.431 1.767 50 0 HDAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(=O)NCCO)cc3s2)cc1 ZINC000013722354 558582725 /nfs/dbraw/zinc/58/27/25/558582725.db2.gz CJALIDNJODAURN-UHFFFAOYSA-N -1 0 407.473 1.828 50 0 HDAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1 ZINC000024153278 558590735 /nfs/dbraw/zinc/59/07/35/558590735.db2.gz GOSDEJWNOZQXJJ-UHFFFAOYSA-N -1 0 424.500 1.760 50 0 HDAARM Cc1cccc(CN2CCN(C(=O)Cc3csc([N-]S(C)(=O)=O)n3)CC2)c1 ZINC000029967698 558725119 /nfs/dbraw/zinc/72/51/19/558725119.db2.gz GCYQAIUDKUXJGT-UHFFFAOYSA-N -1 0 408.549 1.710 50 0 HDAARM O=C([N-]S(=O)(=O)N1CCCc2ccccc21)[C@H]1CSCN1C(=O)C1CCC1 ZINC000072310905 558778174 /nfs/dbraw/zinc/77/81/74/558778174.db2.gz DVTBYGFRUUTPEM-MRXNPFEDSA-N -1 0 409.533 1.502 50 0 HDAARM Cc1nc([O-])c([C@@H](c2cccc(Br)c2)C2C(=O)N=C(C)NC2=O)c(=O)[nH]1 ZINC000016363271 558788447 /nfs/dbraw/zinc/78/84/47/558788447.db2.gz RNIKGKDKSNFCST-UHFFFAOYSA-N -1 0 419.235 1.824 50 0 HDAARM Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])CC2)cc1C ZINC000017087362 558816185 /nfs/dbraw/zinc/81/61/85/558816185.db2.gz STFKPANHYKMSDT-ZWKOTPCHSA-N -1 0 406.504 1.803 50 0 HDAARM COC(=O)c1ccc(N2[N-]C(=O)/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000000666817 558829882 /nfs/dbraw/zinc/82/98/82/558829882.db2.gz VYYZPGHLSMRHOV-XMHGGMMESA-N -1 0 407.426 1.771 50 0 HDAARM O=C([O-])c1cnc2c(c1)n(CC(=O)NC[C@@H]1CCCO1)c(=O)n2C1CCCCC1 ZINC000055120136 558873238 /nfs/dbraw/zinc/87/32/38/558873238.db2.gz WUDHWQOIPCGGKK-HNNXBMFYSA-N -1 0 402.451 1.697 50 0 HDAARM COc1ccc(CCn2nc(C(=O)[O-])c3c2CCN(C(=O)Cn2cccn2)C3)cc1 ZINC000067756825 558992439 /nfs/dbraw/zinc/99/24/39/558992439.db2.gz HRICKYSEYSVDHC-UHFFFAOYSA-N -1 0 409.446 1.614 50 0 HDAARM O=C(C1=NNC(=O)CC1)N1CCc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2C1 ZINC000077506108 559007740 /nfs/dbraw/zinc/00/77/40/559007740.db2.gz IUFISLKPLZGLAT-UHFFFAOYSA-N -1 0 413.459 1.033 50 0 HDAARM CCOc1cc(-c2nnn(CC(=O)[O-])n2)cc(I)c1OC ZINC000004784090 559062924 /nfs/dbraw/zinc/06/29/24/559062924.db2.gz NTJDSJVJNYYGKG-UHFFFAOYSA-N -1 0 404.164 1.437 50 0 HDAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc5c(c4)OCCO5)c=3c2=O)cc1 ZINC000100033217 559128897 /nfs/dbraw/zinc/12/88/97/559128897.db2.gz GRNXMMJNDSZWEV-MOPGFXCFSA-N -1 0 421.413 1.698 50 0 HDAARM Cc1ccc(C(=O)[N-]S(=O)(=O)CCS(=O)(=O)c2ccc(F)cc2)cc1F ZINC000072310711 559163107 /nfs/dbraw/zinc/16/31/07/559163107.db2.gz KNTXCDOTXCXWJR-UHFFFAOYSA-N -1 0 403.428 1.807 50 0 HDAARM CCN1CCN(C(=O)Cn2c(=O)c3[nH]c4ccc(OC)cc4c3[n-]c2=S)CC1 ZINC000004951674 559215859 /nfs/dbraw/zinc/21/58/59/559215859.db2.gz WSHSATWYCQSUEH-UHFFFAOYSA-N -1 0 401.492 1.713 50 0 HDAARM Cc1c(C)[n+]([O-])c([C@H](c2ccc(O)c(Cl)c2)c2c([O-])n(C)c(=O)n(C)c2=O)n1C ZINC000409415358 559251149 /nfs/dbraw/zinc/25/11/49/559251149.db2.gz CIPKOFARDBOPGP-CQSZACIVSA-N -1 0 420.853 1.433 50 0 HDAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 ZINC000011858214 559263025 /nfs/dbraw/zinc/26/30/25/559263025.db2.gz NRKHNZJBSULVHN-GFCCVEGCSA-N -1 0 410.473 1.809 50 0 HDAARM NC1=C2C(=O)Oc3ccccc3[C@@H]2[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]2S1 ZINC000101374379 560793458 /nfs/dbraw/zinc/79/34/58/560793458.db2.gz IOIIUUKIWGIEHC-FMKPAKJESA-N -1 0 422.418 1.863 50 0 HDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(OC)c4)c=3c2=O)cc1 ZINC000101165935 560851121 /nfs/dbraw/zinc/85/11/21/560851121.db2.gz GMMZNXWIXIREMT-ROUUACIJSA-N -1 0 409.402 1.636 50 0 HDAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C ZINC000012235967 568455115 /nfs/dbraw/zinc/45/51/15/568455115.db2.gz SAGCJCUYPNSQLN-AWEZNQCLSA-N -1 0 413.521 1.977 50 0 HDAARM O=C([O-])c1cccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000000786067 568477109 /nfs/dbraw/zinc/47/71/09/568477109.db2.gz CUKCEPDFHSCUQI-UHFFFAOYSA-N -1 0 404.444 1.620 50 0 HDAARM COc1cccc(N2CCN(C(=O)CC[C@]3(CCC(=O)[O-])CCC(=O)N3)CC2)c1 ZINC000222401393 568515283 /nfs/dbraw/zinc/51/52/83/568515283.db2.gz GBQSRQKGXAJKGP-NRFANRHFSA-N -1 0 403.479 1.638 50 0 HDAARM COC(=O)c1sccc1S(=O)(=O)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 ZINC000390828406 568591577 /nfs/dbraw/zinc/59/15/77/568591577.db2.gz AWKDIRZNBNMAIX-QMMMGPOBSA-N -1 0 424.426 1.729 50 0 HDAARM COc1ccc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2F)cc1NC(C)=O ZINC000095381774 568603511 /nfs/dbraw/zinc/60/35/11/568603511.db2.gz QGVJSKRPPJOTSA-UHFFFAOYSA-N -1 0 416.452 1.997 50 0 HDAARM Cn1cc(S(=O)(=O)[N-]c2ccccc2S(=O)(=O)NC(C)(C)C)cc1C(N)=O ZINC000095956590 568669683 /nfs/dbraw/zinc/66/96/83/568669683.db2.gz ITVHYUOEXGDUMJ-UHFFFAOYSA-N -1 0 414.509 1.002 50 0 HDAARM COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(CCO)CC2)cc1 ZINC000022458922 568768055 /nfs/dbraw/zinc/76/80/55/568768055.db2.gz BJYHHWOLMSYMQT-MRXNPFEDSA-N -1 0 403.508 1.513 50 0 HDAARM O=C(C[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCc1ccc2c(c1)OCO2 ZINC000002966911 568831226 /nfs/dbraw/zinc/83/12/26/568831226.db2.gz ZNLHWQWIPZDJON-AWEZNQCLSA-N -1 0 408.439 1.790 50 0 HDAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)N1CCOCC1 ZINC000012520958 568841568 /nfs/dbraw/zinc/84/15/68/568841568.db2.gz HLCMDDOQJJQXHL-UHFFFAOYSA-N -1 0 402.432 1.129 50 0 HDAARM O=C([O-])CCNC(=O)c1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC000012536209 568845506 /nfs/dbraw/zinc/84/55/06/568845506.db2.gz LYDIPOGFNOVEIT-UHFFFAOYSA-N -1 0 416.411 1.798 50 0 HDAARM O=C(NC[C@@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000012584559 568865739 /nfs/dbraw/zinc/86/57/39/568865739.db2.gz AKONGAXMBHPOIN-LBPRGKRZSA-N -1 0 416.459 1.566 50 0 HDAARM CCOC(=O)c1c[nH]c(=O)c([C@H](CC(=O)[O-])c2cc(OC)c(O)c(OC)c2)c1O ZINC000217878023 568917338 /nfs/dbraw/zinc/91/73/38/568917338.db2.gz WWXNQQCGRHTKAD-SNVBAGLBSA-N -1 0 407.375 1.587 50 0 biogenic HDAARM CC(=O)Nc1nc(SCC(=O)N2CCCC2)[n-]c(=O)c1NC(=O)c1ccccc1 ZINC000004248921 568953950 /nfs/dbraw/zinc/95/39/50/568953950.db2.gz UBMUBLBHKBFFGR-UHFFFAOYSA-N -1 0 415.475 1.695 50 0 HDAARM CC(C)C[C@@H](NC(=O)NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000012848311 569010318 /nfs/dbraw/zinc/01/03/18/569010318.db2.gz MRURMHLWGDTWOR-CVEARBPZSA-N -1 0 419.478 1.920 50 0 HDAARM O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000006142977 569014373 /nfs/dbraw/zinc/01/43/73/569014373.db2.gz UONMKAXRFULQNA-LBPRGKRZSA-N -1 0 410.477 1.041 50 0 HDAARM O=S(=O)([N-]c1cccc(F)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000006315888 569040210 /nfs/dbraw/zinc/04/02/10/569040210.db2.gz IIAAHCFRAKUBAQ-UHFFFAOYSA-N -1 0 400.453 1.647 50 0 HDAARM COc1ccccc1N1CCN2c3ccc(N)cc3CC3(C(=O)NC(=O)NC3=O)[C@H]2C1 ZINC000245328643 569055984 /nfs/dbraw/zinc/05/59/84/569055984.db2.gz VWFMULWSTFXDDN-GOSISDBHSA-N -1 0 421.457 1.926 50 0 HDAARM Cc1cc(N2C(=O)C(C)(C)CS2(=O)=O)ccc1S(=O)(=O)[N-]c1ncccn1 ZINC000013693797 569256978 /nfs/dbraw/zinc/25/69/78/569256978.db2.gz YOPIDZTYNRHAJY-UHFFFAOYSA-N -1 0 410.477 1.288 50 0 HDAARM CN1C(=O)Cc2cc(S(=O)(=O)Nc3cc4c(cc3C(=O)[O-])OCCCO4)ccc21 ZINC000014205383 569258927 /nfs/dbraw/zinc/25/89/27/569258927.db2.gz UCLHFNRXXYODMD-UHFFFAOYSA-N -1 0 418.427 1.866 50 0 HDAARM CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)NCC(=O)[O-])ccc12 ZINC000002107535 569283253 /nfs/dbraw/zinc/28/32/53/569283253.db2.gz NWKSKWGBCSAQQX-UHFFFAOYSA-N -1 0 404.419 1.140 50 0 biogenic HDAARM COc1ccc2c(C)c(CC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)oc2c1C ZINC000002118941 569284825 /nfs/dbraw/zinc/28/48/25/569284825.db2.gz UCYMXBUMMNNTBM-SFHVURJKSA-N -1 0 418.446 1.303 50 0 biogenic HDAARM COc1cc(OC)c2c(C)c(CC(=O)N[C@@H](CCSC)C(=O)[O-])c(=O)oc2c1 ZINC000002122510 569285599 /nfs/dbraw/zinc/28/55/99/569285599.db2.gz DROQCLYNPVLJHR-ZDUSSCGKSA-N -1 0 409.460 1.984 50 0 biogenic HDAARM CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])ccc12 ZINC000002146454 569289688 /nfs/dbraw/zinc/28/96/88/569289688.db2.gz YUEYFAPJQFYRLD-AWEZNQCLSA-N -1 0 419.434 1.061 50 0 biogenic HDAARM Cc1cccc(-c2nc3s/c(=C4/c5ccccc5N(CC(=O)[O-])C4=O)c(=O)n3n2)c1 ZINC000002233242 569320090 /nfs/dbraw/zinc/32/00/90/569320090.db2.gz AJVMLZVZPKVZQL-MSUUIHNZSA-N -1 0 418.434 1.476 50 0 HDAARM CCc1ncnc(O[C@H]2CCN(S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)C2)c1F ZINC000253472203 569381319 /nfs/dbraw/zinc/38/13/19/569381319.db2.gz KCPZHMJFRFMKDS-JTQLQIEISA-N -1 0 413.402 1.857 50 0 HDAARM NC(=O)c1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CCOC[C@H]43)C2=O)cc1 ZINC000008695451 571102666 /nfs/dbraw/zinc/10/26/66/571102666.db2.gz UBIGMYLJWPZTIS-JTSKRJEESA-N -1 0 420.425 1.657 50 0 HDAARM Cn1c2nc(N(Cc3ccccc3)Cc3ccccc3)n(CC(=O)[O-])c2c(=O)[nH]c1=O ZINC000069531997 571228919 /nfs/dbraw/zinc/22/89/19/571228919.db2.gz NBFGXMRIVIYERI-UHFFFAOYSA-N -1 0 419.441 1.715 50 0 HDAARM COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCCCC(=O)[O-])CC2)cc1 ZINC000009340981 571249885 /nfs/dbraw/zinc/24/98/85/571249885.db2.gz HJIPQOLYZDIFMX-UHFFFAOYSA-N -1 0 412.508 1.857 50 0 HDAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)N3CCC(C(N)=O)CC3)cs2)cc1 ZINC000009828612 571287025 /nfs/dbraw/zinc/28/70/25/571287025.db2.gz UEDAGHRYUZTRMR-UHFFFAOYSA-N -1 0 422.532 1.519 50 0 HDAARM Cc1cc(C)n(CCNC(=O)c2cnc([O-])n(Cc3ccccc3Cl)c2=O)n1 ZINC000077099323 571310995 /nfs/dbraw/zinc/31/09/95/571310995.db2.gz JQSLYCOGNMKMID-UHFFFAOYSA-N -1 0 401.854 1.894 50 0 HDAARM Cc1c(Cl)cccc1N1C[C@@H](C)Cn2c1nc1c2c(=O)n(CC(=O)[O-])c(=O)n1C ZINC000005251904 132304282 /nfs/dbraw/zinc/30/42/82/132304282.db2.gz IWJQHPBJFPLNBK-SNVBAGLBSA-N -1 0 417.853 1.731 50 0 HDAARM COc1cccc(N2CCN(C(=O)Cc3csc([N-]S(C)(=O)=O)n3)CC2)c1 ZINC000012324114 132358546 /nfs/dbraw/zinc/35/85/46/132358546.db2.gz GXJJAQKXZGVFPG-UHFFFAOYSA-N -1 0 410.521 1.415 50 0 HDAARM CC(=O)N1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)CCC(=O)[O-])cc32)CC1 ZINC000031817781 519590492 /nfs/dbraw/zinc/59/04/92/519590492.db2.gz LDYOQIBBBNHSHL-IBGZPJMESA-N -1 0 416.434 1.261 50 0 HDAARM COc1ccc(CCn2nc(C(=O)[O-])c3c2CCN(C(=O)Cn2ccnc2)C3)cc1 ZINC000067643297 523987851 /nfs/dbraw/zinc/98/78/51/523987851.db2.gz NWHOGSMAFJJZPS-UHFFFAOYSA-N -1 0 409.446 1.614 50 0 HDAARM C[C@H]1CS(=O)(=O)N(c2cccc(C(=O)Nc3ccc(C(=O)[O-])c(O)c3)c2)C1=O ZINC000041182005 524750133 /nfs/dbraw/zinc/75/01/33/524750133.db2.gz WBACYPBLOFPMIX-JTQLQIEISA-N -1 0 404.400 1.655 50 0 HDAARM Cc1nc2sccn2c(=O)c1S(=O)(=O)[N-]c1ccc(CN2CCOCC2)cc1 ZINC000020177769 527210700 /nfs/dbraw/zinc/21/07/00/527210700.db2.gz ANKHCVGLSQRTDU-UHFFFAOYSA-N -1 0 420.516 1.697 50 0 HDAARM O=C1N[C@H](c2ccc3c(c2)OCO3)C(=C([O-])c2cccnc2)[C@](O)(C(F)(F)F)N1 ZINC000001156691 557214632 /nfs/dbraw/zinc/21/46/32/557214632.db2.gz NGXKDHNDHYWXGJ-CPUCHLNUSA-N -1 0 409.320 1.914 50 0 HDAARM COc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000004520605 557563096 /nfs/dbraw/zinc/56/30/96/557563096.db2.gz ZDAYNBZMJXGVQW-CQSZACIVSA-N -1 0 406.416 1.520 50 0 HDAARM CC(C)(C)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)CC1=O ZINC000004970365 557618532 /nfs/dbraw/zinc/61/85/32/557618532.db2.gz UHVWHOXJEASLMV-CYBMUJFWSA-N -1 0 417.491 1.863 50 0 HDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000005050279 557630375 /nfs/dbraw/zinc/63/03/75/557630375.db2.gz QQVJGMHGOLOGQI-UHFFFAOYSA-N -1 0 403.460 1.783 50 0 HDAARM COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(OC)nc(OC)n2)cc1 ZINC000006088733 557686805 /nfs/dbraw/zinc/68/68/05/557686805.db2.gz KEBZPVHFRGEXCW-UHFFFAOYSA-N -1 0 424.435 1.186 50 0 HDAARM O=C([O-])/C=C/C(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@@]12C(=O)Nc1ccccc12 ZINC000009418830 557841834 /nfs/dbraw/zinc/84/18/34/557841834.db2.gz IFCBJDOXMQZFIV-QQUYBBDPSA-N -1 0 405.366 1.840 50 0 HDAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)NCCN1CCOCC1 ZINC000020638254 558396713 /nfs/dbraw/zinc/39/67/13/558396713.db2.gz CJPODTKUUDDKLD-UHFFFAOYSA-N -1 0 421.494 1.997 50 0 HDAARM COc1cc2nc(CSCC(=O)N[C@H](C(=O)[O-])C(C)C)[nH]c(=O)c2cc1OC ZINC000020719333 558402590 /nfs/dbraw/zinc/40/25/90/558402590.db2.gz FGLXWVGOHOGSIZ-INIZCTEOSA-N -1 0 409.464 1.399 50 0 HDAARM CSc1nc([O-])c(C(c2ccc(O)cc2)C2C(=O)N=C(SC)NC2=O)c(=O)[nH]1 ZINC000013153725 558524058 /nfs/dbraw/zinc/52/40/58/558524058.db2.gz KLQKEFSWNKXLKE-UHFFFAOYSA-N -1 0 420.472 1.594 50 0 HDAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000013169748 558525128 /nfs/dbraw/zinc/52/51/28/558525128.db2.gz URVAUZVEIUEYFY-UHFFFAOYSA-N -1 0 404.444 1.966 50 0 HDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(OC)c4)c=3c2=O)cc1 ZINC000004483261 558602900 /nfs/dbraw/zinc/60/29/00/558602900.db2.gz GMMZNXWIXIREMT-QZTJIDSGSA-N -1 0 409.402 1.636 50 0 HDAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000025572275 558644182 /nfs/dbraw/zinc/64/41/82/558644182.db2.gz LFARQAVUUAZPJX-UHFFFAOYSA-N -1 0 419.503 1.558 50 0 HDAARM Cn1c2nc3n(cc(-c4ccco4)n3-c3ccc(C(=O)[O-])cc3)c2c(=O)n(C)c1=O ZINC000015108274 558723469 /nfs/dbraw/zinc/72/34/69/558723469.db2.gz RICQARRAHFDUQX-UHFFFAOYSA-N -1 0 405.370 1.634 50 0 HDAARM CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C)C(=O)[O-])CC1 ZINC000015990336 558765545 /nfs/dbraw/zinc/76/55/45/558765545.db2.gz GGMTXSJKWMRMCU-UKRRQHHQSA-N -1 0 413.515 1.754 50 0 HDAARM Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1OCC(N)=O ZINC000004196855 558780594 /nfs/dbraw/zinc/78/05/94/558780594.db2.gz NOAMXORTKCKTEG-MRXNPFEDSA-N -1 0 412.851 1.617 50 0 HDAARM O=C([O-])COCC(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 ZINC000017082651 558814771 /nfs/dbraw/zinc/81/47/71/558814771.db2.gz OUBFEUMARQKDAJ-UHFFFAOYSA-N -1 0 403.460 1.992 50 0 HDAARM C[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H]4[C@H]3N4c3ccc(Br)cc3)[C@@H]2C1=O ZINC000244873615 558837097 /nfs/dbraw/zinc/83/70/97/558837097.db2.gz WSZGIAKPYDEOHT-XGGWAZPGSA-N -1 0 405.248 1.730 50 0 HDAARM CN(c1ccccc1C(N)=O)S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(F)c1 ZINC000060353760 558867625 /nfs/dbraw/zinc/86/76/25/558867625.db2.gz NBGXLVNTMLREJD-UHFFFAOYSA-N -1 0 410.423 1.993 50 0 HDAARM COc1cc([C@@H](c2sc3ncnn3c2[O-])N2CCN(C)CC2)cc(OC)c1OC ZINC000022030981 558985186 /nfs/dbraw/zinc/98/51/86/558985186.db2.gz ZMZLQKVCZGLXPT-HNNXBMFYSA-N -1 0 419.507 1.859 50 0 HDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000004731595 559032726 /nfs/dbraw/zinc/03/27/26/559032726.db2.gz UUDCHEPGLBXJJT-AWEZNQCLSA-N -1 0 407.492 1.631 50 0 HDAARM COc1ccc(-c2nn3c(nc2=O)-c2ccc(F)cc2N2C(=O)CC[C@]23C(=O)[O-])cc1 ZINC000585157889 559063712 /nfs/dbraw/zinc/06/37/12/559063712.db2.gz DPCMKFMHIYOLPW-NRFANRHFSA-N -1 0 422.372 1.998 50 0 HDAARM COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(=O)nc2ccccn2c1[O-] ZINC000205976695 559198240 /nfs/dbraw/zinc/19/82/40/559198240.db2.gz WZGJBFGHLVAUHG-ZDUSSCGKSA-N -1 0 408.414 1.286 50 0 HDAARM CC[C@H](C)[C@@H](NC(=O)CNC(=O)CCc1c(C)c2ccc(O)cc2oc1=O)C(=O)[O-] ZINC000011865563 559263775 /nfs/dbraw/zinc/26/37/75/559263775.db2.gz NZUJOEXJUZSFNH-JEOXALJRSA-N -1 0 418.446 1.471 50 0 HDAARM O=C([O-])[C@@H]1CCCN(C(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)C1 ZINC000061718502 559293074 /nfs/dbraw/zinc/29/30/74/559293074.db2.gz RVXXTMROKYIZJP-CYBMUJFWSA-N -1 0 420.263 1.996 50 0 HDAARM CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(C)C)C(=O)[O-] ZINC000005321718 560568315 /nfs/dbraw/zinc/56/83/15/560568315.db2.gz CZYUBIYYIFUJPO-KKXDTOCCSA-N -1 0 421.469 1.545 50 0 HDAARM COc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2 ZINC000101169242 560787658 /nfs/dbraw/zinc/78/76/58/560787658.db2.gz QWTSRTRJIVRKTH-IRXDYDNUSA-N -1 0 415.356 1.905 50 0 HDAARM COC(=O)c1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2 ZINC000101218186 560790184 /nfs/dbraw/zinc/79/01/84/560790184.db2.gz VQLVVSSITWIBES-SJORKVTESA-N -1 0 407.386 1.405 50 0 HDAARM COC(=O)c1ccc(OC)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)cc4)c(=O)c2=3)c1 ZINC000101418019 560794798 /nfs/dbraw/zinc/79/47/98/560794798.db2.gz GOPDGSUGORSHJQ-ZWKOTPCHSA-N -1 0 424.413 1.984 50 0 HDAARM CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C)c2[O-])C[C@H]1c1ccc(Br)cc1 ZINC000101766197 560799633 /nfs/dbraw/zinc/79/96/33/560799633.db2.gz PYRCACIWVCLMBD-LBPRGKRZSA-N -1 0 421.251 1.629 50 0 HDAARM O=c1[nH]c(=O)n(Cc2ccccc2)c([O-])c1C1=NN[C@H](c2ccc3c(c2)OCO3)C1 ZINC000101762427 560800478 /nfs/dbraw/zinc/80/04/78/560800478.db2.gz XPZSPDLCBSTOHB-AWEZNQCLSA-N -1 0 406.398 1.458 50 0 HDAARM COc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccccc4OC)c3=O)=NN2)cc1 ZINC000101762767 560800732 /nfs/dbraw/zinc/80/07/32/560800732.db2.gz QTOPAKLILFCDCW-CQSZACIVSA-N -1 0 408.414 1.687 50 0 HDAARM COc1ccccc1[C@H]1CC(c2c([O-])[nH]c(=O)n(-c3ccccc3OC)c2=O)=NN1 ZINC000101762841 560800817 /nfs/dbraw/zinc/80/08/17/560800817.db2.gz CCEXZLCQYQMGOM-CYBMUJFWSA-N -1 0 408.414 1.687 50 0 HDAARM CN1C(=O)N(C)[C@]2(c3ccccc3)NNC(SCC(=O)[O-])=N[C@@]12c1ccccc1 ZINC000020101859 568587862 /nfs/dbraw/zinc/58/78/62/568587862.db2.gz IXDQUBPMBWHEDW-PMACEKPBSA-N -1 0 411.487 1.971 50 0 HDAARM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)S(=O)(=O)N3C)s1 ZINC000390831172 568592261 /nfs/dbraw/zinc/59/22/61/568592261.db2.gz QGQSGAASFRYJRR-UHFFFAOYSA-N -1 0 417.494 1.033 50 0 HDAARM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@](C)(COc1ccccc1)C(=O)[O-] ZINC000095424635 568607693 /nfs/dbraw/zinc/60/76/93/568607693.db2.gz VUXIVPKESNOPTG-ZUOKHONESA-N -1 0 415.402 1.752 50 0 HDAARM COc1ccc(Br)c(C(=O)N(C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000095464479 568622557 /nfs/dbraw/zinc/62/25/57/568622557.db2.gz XEFYGDXXQLQPTC-NSHDSACASA-N -1 0 413.268 1.853 50 0 HDAARM C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N(CC(=O)[O-])C[C@@H]1CCCO1 ZINC000095970204 568671218 /nfs/dbraw/zinc/67/12/18/568671218.db2.gz NFIBPFCDLZFDHF-ZJUUUORDSA-N -1 0 419.297 1.721 50 0 HDAARM COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)c1 ZINC000028198148 568782000 /nfs/dbraw/zinc/78/20/00/568782000.db2.gz IVRUNJGSMLAKNL-UHFFFAOYSA-N -1 0 406.416 1.397 50 0 HDAARM COCCn1c(=O)c2ccc(C(=O)N3CCC4(CC3)OCCO4)cc2[n-]c1=S ZINC000003043730 568848093 /nfs/dbraw/zinc/84/80/93/568848093.db2.gz KNKNORUOCMNPIU-UHFFFAOYSA-N -1 0 405.476 1.685 50 0 HDAARM O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc([O-])c(Cl)c1 ZINC000025888510 568929370 /nfs/dbraw/zinc/92/93/70/568929370.db2.gz VYNLWWQCNARPBU-UHFFFAOYSA-N -1 0 410.879 1.997 50 0 HDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000012902253 569020862 /nfs/dbraw/zinc/02/08/62/569020862.db2.gz UTTRDVUFJOWPGA-SFHVURJKSA-N -1 0 407.426 1.534 50 0 biogenic HDAARM CC[C@@H](C)[C@@H](NC(=O)CNC(=O)COc1ccc2c(C)cc(=O)oc2c1)C(=O)[O-] ZINC000015956229 569024579 /nfs/dbraw/zinc/02/45/79/569024579.db2.gz SHHYSQQPBGNSEI-NSPYISDASA-N -1 0 404.419 1.212 50 0 HDAARM COc1cc([N-]S(=O)(=O)c2c(C)nc3sccn3c2=O)cc(OC)c1OC ZINC000016249212 569030318 /nfs/dbraw/zinc/03/03/18/569030318.db2.gz QUQWAGFAWBJRAJ-UHFFFAOYSA-N -1 0 411.461 1.891 50 0 HDAARM Cc1ccc(S(=O)(=O)N2CN[C@H](C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])C2)cc1 ZINC000390822438 569070086 /nfs/dbraw/zinc/07/00/86/569070086.db2.gz YBCRJUWIFMWPBT-HIFRSBDPSA-N -1 0 413.496 1.283 50 0 HDAARM Cc1ccc(S(=O)(=O)N2CN[C@@H](C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])C2)cc1 ZINC000390822439 569070111 /nfs/dbraw/zinc/07/01/11/569070111.db2.gz YBCRJUWIFMWPBT-ZFWWWQNUSA-N -1 0 413.496 1.283 50 0 HDAARM O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3C43CCCC3)[C@@H]2C1=O ZINC000238899891 569227895 /nfs/dbraw/zinc/22/78/95/569227895.db2.gz HFGNCTZBQJNROV-NIQXTHQDSA-N -1 0 420.512 1.674 50 0 HDAARM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1nnc(-c2ccncc2)o1 ZINC000170617423 569248132 /nfs/dbraw/zinc/24/81/32/569248132.db2.gz UGSJHLUMZBFRHG-UHFFFAOYSA-N -1 0 409.449 1.183 50 0 HDAARM COc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000013690613 569257152 /nfs/dbraw/zinc/25/71/52/569257152.db2.gz ZQQZTLDGANSMTP-LBPRGKRZSA-N -1 0 410.473 1.809 50 0 HDAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000002111254 569284007 /nfs/dbraw/zinc/28/40/07/569284007.db2.gz NTDRNDJCIPQUPW-SFHVURJKSA-N -1 0 404.419 1.081 50 0 biogenic HDAARM C[C@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000058650718 569359054 /nfs/dbraw/zinc/35/90/54/569359054.db2.gz GIYVFJXSCLFRIL-KKXDTOCCSA-N -1 0 416.430 1.180 50 0 HDAARM Cc1nnc(NC(=O)CSc2nc(N)c(NC(=O)c3cccs3)c(=O)[n-]2)s1 ZINC000012732382 569402941 /nfs/dbraw/zinc/40/29/41/569402941.db2.gz ZVTIXPWTUZKYPU-UHFFFAOYSA-N -1 0 423.505 1.557 50 0 HDAARM Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 ZINC000079001738 569423533 /nfs/dbraw/zinc/42/35/33/569423533.db2.gz XLVBESYVBRJLPN-UHFFFAOYSA-N -1 0 417.534 1.582 50 0 HDAARM CC(C)(C)c1nc(C[N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)no1 ZINC000079012834 569423678 /nfs/dbraw/zinc/42/36/78/569423678.db2.gz RNCWQAPDGDHFKW-UHFFFAOYSA-N -1 0 407.901 1.903 50 0 HDAARM O=C(C1=C([O-])c2ccccc2S(=O)(=O)N1Cc1ccccc1)N1CCOCC1 ZINC000008516861 571067739 /nfs/dbraw/zinc/06/77/39/571067739.db2.gz XHOLQIAAIMIUFX-UHFFFAOYSA-N -1 0 400.456 1.977 50 0 HDAARM NC(=O)c1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCOC[C@H]43)C2=O)cc1 ZINC000008695450 571102521 /nfs/dbraw/zinc/10/25/21/571102521.db2.gz UBIGMYLJWPZTIS-HTAPYJJXSA-N -1 0 420.425 1.657 50 0 HDAARM Cc1cccc(N2CCN(C(=O)c3nc4n(n3)-c3ccccc3S(=O)(=O)[N-]4)CC2)c1 ZINC000069929692 571250153 /nfs/dbraw/zinc/25/01/53/571250153.db2.gz DCPNHIAWLXAMQS-UHFFFAOYSA-N -1 0 424.486 1.652 50 0 HDAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)cc4)c=3c2=O)cc1OC ZINC000009675535 571278930 /nfs/dbraw/zinc/27/89/30/571278930.db2.gz WOTGUKQLJAWQCU-RTBURBONSA-N -1 0 423.429 1.944 50 0 HDAARM COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N[C@H](CCSC)C(=O)[O-])n1 ZINC000071333237 571292781 /nfs/dbraw/zinc/29/27/81/571292781.db2.gz XMBVHHGMZNGXHP-CQSZACIVSA-N -1 0 409.439 1.381 50 0 HDAARM Cc1cccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)cs2)n1 ZINC000065097340 571308855 /nfs/dbraw/zinc/30/88/55/571308855.db2.gz BJZQMFLXURODPB-UHFFFAOYSA-N -1 0 419.488 2.538 50 0 HDAARM