smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc(NC(=O)N2CCC(F)CC2)cc1Cl ZINC000689492099 976257680 /nfs/dbraw/zinc/25/76/80/976257680.db2.gz PDRROYUEFYJRGM-UHFFFAOYSA-N -1 0 300.717 3.004 10 0 DGAERM Cc1c(Cl)cc(NC(=O)N[C@H](C)CC(=O)[O-])cc1Cl ZINC000690284037 976282538 /nfs/dbraw/zinc/28/25/38/976282538.db2.gz XGGWIUNHXJBMGD-ZCFIWIBFSA-N -1 0 305.161 3.287 10 0 DGAERM COC[C@@]1(C(=O)[O-])CCCN1Cc1cc(Cl)ccc1Cl ZINC000692307363 976413311 /nfs/dbraw/zinc/41/33/11/976413311.db2.gz WDGAWFPQJMPYNY-CQSZACIVSA-N -1 0 318.200 3.059 10 0 DGAERM O=C([O-])c1cc(NC(=O)c2csc(Cl)n2)c(F)cc1F ZINC000692764960 976542602 /nfs/dbraw/zinc/54/26/02/976542602.db2.gz QXQAUHUXKYQGKR-UHFFFAOYSA-N -1 0 318.688 3.025 10 0 DGAERM CC(F)(F)C1(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CC1 ZINC000692821483 976549860 /nfs/dbraw/zinc/54/98/60/976549860.db2.gz DOTWGACHOGGWMB-UHFFFAOYSA-N -1 0 303.692 3.412 10 0 DGAERM O=C([O-])c1coc(C(=O)NCc2cccc(Cl)c2Cl)c1 ZINC000693656283 976650084 /nfs/dbraw/zinc/65/00/84/976650084.db2.gz OGWYOONVESVENP-UHFFFAOYSA-N -1 0 314.124 3.215 10 0 DGAERM CC(C)C[C@@H](Sc1ncccc1Br)C(=O)[O-] ZINC000695119849 976780632 /nfs/dbraw/zinc/78/06/32/976780632.db2.gz QWOHUALTGBPSJZ-SECBINFHSA-N -1 0 304.209 3.436 10 0 DGAERM CCC(CC)S(=O)(=O)[N-]C(=O)/C(C)=C\c1ccc(C)cc1 ZINC000588401986 1082143073 /nfs/dbraw/zinc/14/30/73/1082143073.db2.gz OSBSIKVIQIMZNB-QBFSEMIESA-N -1 0 309.431 3.033 10 0 DGAERM O=C([O-])[C@@H]1CN(C(=O)c2ccc(Cl)s2)Cc2ccccc21 ZINC000087611357 185229164 /nfs/dbraw/zinc/22/91/64/185229164.db2.gz PCUPEBQQVQXUMO-LLVKDONJSA-N -1 0 321.785 3.226 10 0 DGAERM [O-]c1cc(Br)ccc1-c1nc([C@@H]2CCCO2)no1 ZINC000087803810 185232451 /nfs/dbraw/zinc/23/24/51/185232451.db2.gz YPGUIOODHBDBBJ-JTQLQIEISA-N -1 0 311.135 3.056 10 0 DGAERM CCC1(C(=O)N[C@@H](C)c2nc(C)c(C(=O)[O-])s2)CCCC1 ZINC000236870333 282334759 /nfs/dbraw/zinc/33/47/59/282334759.db2.gz KMYIINBDOINEGO-JTQLQIEISA-N -1 0 310.419 3.297 10 0 DGAERM C[C@H](NC(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1cccs1 ZINC000040576904 545675717 /nfs/dbraw/zinc/67/57/17/545675717.db2.gz GQRKWYCUFZAQIR-GWCFXTLKSA-N -1 0 310.419 3.142 10 0 DGAERM CCC(CC)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)on1 ZINC000236718214 201981039 /nfs/dbraw/zinc/98/10/39/201981039.db2.gz DJLDGTHKXZTRHS-HNNXBMFYSA-N -1 0 316.357 3.134 10 0 DGAERM C[C@@H](C(=O)[O-])n1ccc(=O)c2cc(Cl)c(C(F)(F)F)cc21 ZINC000072237323 191080268 /nfs/dbraw/zinc/08/02/68/191080268.db2.gz XRYZTIALQOVNHC-LURJTMIESA-N -1 0 319.666 3.319 10 0 DGAERM CN(C(=O)c1ccc(Cl)c(Cl)c1[O-])[C@@H]1CCSC1 ZINC000152640801 186092489 /nfs/dbraw/zinc/09/24/89/186092489.db2.gz VVOUOELHYZUTSZ-SSDOTTSWSA-N -1 0 306.214 3.277 10 0 DGAERM CC(C)[C@@H](C)CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000181906635 186217501 /nfs/dbraw/zinc/21/75/01/186217501.db2.gz PDWUNWSUAKVDGZ-XPTSAGLGSA-N -1 0 315.772 3.403 10 0 DGAERM Cc1cc(C(=O)N[C@H](C)c2nc(C)c(C(=O)[O-])s2)sc1C ZINC000237497535 186297858 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O=C([O-])CSc1ncc(-c2ccc(Br)cc2)o1 ZINC000073667374 191338586 /nfs/dbraw/zinc/33/85/86/191338586.db2.gz RCNUSKSATBWPPM-UHFFFAOYSA-N -1 0 314.160 3.281 10 0 DGAERM CCc1nc(-c2cccc(Cl)c2)nc(OCC(=O)[O-])c1C ZINC000073662157 191338636 /nfs/dbraw/zinc/33/86/36/191338636.db2.gz MELYSHKAIIZIBW-UHFFFAOYSA-N -1 0 306.749 3.131 10 0 DGAERM CCc1c(C)nc(-c2ccc(F)cc2)nc1OCCC(=O)[O-] ZINC000073662654 191338856 /nfs/dbraw/zinc/33/88/56/191338856.db2.gz LMUNSYQHEXPAKT-UHFFFAOYSA-N -1 0 304.321 3.007 10 0 DGAERM Cc1cccc(Nc2nc(OCC(=O)[O-])cc(C(C)C)n2)c1 ZINC000073696938 191342965 /nfs/dbraw/zinc/34/29/65/191342965.db2.gz DGLBTMYOUJQWFB-UHFFFAOYSA-N -1 0 301.346 3.115 10 0 DGAERM CCc1nc(-c2ccc(OC)cc2)nc(SCC(=O)[O-])c1C ZINC000073695611 191343006 /nfs/dbraw/zinc/34/30/06/191343006.db2.gz OIAGHCVFHHAAOD-UHFFFAOYSA-N -1 0 318.398 3.200 10 0 DGAERM CCc1c(C)nc(-c2ccc(C)cc2)nc1SCC(=O)[O-] ZINC000073695546 191343186 /nfs/dbraw/zinc/34/31/86/191343186.db2.gz PRMUDAFHTHRDPX-UHFFFAOYSA-N -1 0 302.399 3.500 10 0 DGAERM O=C([O-])CSc1cc(-c2ccccn2)nc(-c2ccccc2)n1 ZINC000073695504 191343210 /nfs/dbraw/zinc/34/32/10/191343210.db2.gz RVANLFZBTYDVRG-UHFFFAOYSA-N -1 0 323.377 3.382 10 0 DGAERM O=C([O-])COc1ccnc(N(c2ccccc2)c2ccccc2)n1 ZINC000073698846 191343530 /nfs/dbraw/zinc/34/35/30/191343530.db2.gz KTBJCPRIMHDKIB-UHFFFAOYSA-N -1 0 321.336 3.410 10 0 DGAERM CCc1cccc(Nc2nc(C)c(CC)c(OCC(=O)[O-])n2)c1 ZINC000073697680 191343741 /nfs/dbraw/zinc/34/37/41/191343741.db2.gz TZUXGURWFHVYOT-UHFFFAOYSA-N -1 0 315.373 3.117 10 0 DGAERM CCc1c(C)nc(Nc2cccc(Cl)c2)nc1OCC(=O)[O-] ZINC000073702353 191345733 /nfs/dbraw/zinc/34/57/33/191345733.db2.gz QAICTGXEUAUHGH-UHFFFAOYSA-N -1 0 321.764 3.208 10 0 DGAERM O=C([O-])CCCCCNC(=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000134434361 304047484 /nfs/dbraw/zinc/04/74/84/304047484.db2.gz CKKPZFYFSSNBHD-WDEREUQCSA-N -1 0 309.328 3.116 10 0 DGAERM CCc1noc(C)c1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000164872080 432052227 /nfs/dbraw/zinc/05/22/27/432052227.db2.gz XXRHAFHBYRWDKN-UHFFFAOYSA-N -1 0 316.382 3.499 10 0 DGAERM O=C([O-])c1ccc2c3c(ccc(C(=O)Nc4ccccn4)c31)CC2 ZINC000005338754 181231733 /nfs/dbraw/zinc/23/17/33/181231733.db2.gz JDOYOXKGKKSWGL-UHFFFAOYSA-N -1 0 318.332 3.284 10 0 DGAERM CCCOc1c(OC)cccc1-c1nc(CC(=O)[O-])cs1 ZINC000005592343 181261175 /nfs/dbraw/zinc/26/11/75/181261175.db2.gz CHCPYTCJQNURIO-UHFFFAOYSA-N -1 0 307.371 3.235 10 0 DGAERM CCC[C@H](C)c1c([O-])nc(Nc2nc3ccccc3o2)[nH]c1=O ZINC000005634040 181266753 /nfs/dbraw/zinc/26/67/53/181266753.db2.gz LFTOLRRAJAHPBE-VIFPVBQESA-N -1 0 314.345 3.264 10 0 DGAERM CCCN(CC(=O)[O-])C(=O)c1oc2c(cccc2Cl)c1C ZINC000236955152 202092233 /nfs/dbraw/zinc/09/22/33/202092233.db2.gz YQSYXXLQGPBFLS-UHFFFAOYSA-N -1 0 309.749 3.331 10 0 DGAERM CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000237027241 202127669 /nfs/dbraw/zinc/12/76/69/202127669.db2.gz UKQILWGGGAYRGG-KKZNHRDASA-N -1 0 316.184 3.076 10 0 DGAERM CC/C(=C\c1ccc(OCC(=O)[O-])c2ccccc12)[N+](=O)[O-] ZINC000169340536 432071477 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Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000237634770 202311823 /nfs/dbraw/zinc/31/18/23/202311823.db2.gz SJHWLPYAKSWYJV-ULQDDVLXSA-N -1 0 309.365 3.041 10 0 DGAERM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CCc1cccs1 ZINC000237647906 202316618 /nfs/dbraw/zinc/31/66/18/202316618.db2.gz ZPZBWIMQKNQLRI-HNNXBMFYSA-N -1 0 317.410 3.321 10 0 DGAERM Cc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000237672371 202325542 /nfs/dbraw/zinc/32/55/42/202325542.db2.gz JIXZMEJRTKOZAG-QGZVFWFLSA-N -1 0 311.381 3.178 10 0 DGAERM CCC[C@@H](CNC(=O)CC1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000263273805 283519215 /nfs/dbraw/zinc/51/92/15/283519215.db2.gz XUWSUIWZXSHRLZ-CXQJBGSLSA-N -1 0 323.355 3.362 10 0 DGAERM C[C@@H]1OCCC[C@H]1C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000189656470 200433192 /nfs/dbraw/zinc/43/31/92/200433192.db2.gz UIZQRDGDVVMLIE-GXFFZTMASA-N -1 0 317.307 3.068 10 0 DGAERM O=C([O-])[C@@H]1CCCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000020003006 304106711 /nfs/dbraw/zinc/10/67/11/304106711.db2.gz OYTXJSJWHDZQNG-VIFPVBQESA-N -1 0 308.687 3.197 10 0 DGAERM Cc1ccc(NC(=O)COc2cccc(C)c2C)c(C(=O)[O-])c1 ZINC000006477958 181344154 /nfs/dbraw/zinc/34/41/54/181344154.db2.gz GDPGBLVHHAYUJT-UHFFFAOYSA-N -1 0 313.353 3.328 10 0 DGAERM Cc1ccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[nH]2)cc1F ZINC000443442351 239201311 /nfs/dbraw/zinc/20/13/11/239201311.db2.gz LUXOFYKCKONMQA-ALCCZGGFSA-N -1 0 316.332 3.126 10 0 DGAERM O=C([O-])[C@@H]1CCCN1c1nccc2cc(Br)ccc21 ZINC000096848588 304115530 /nfs/dbraw/zinc/11/55/30/304115530.db2.gz GEMNILBPUXIFBJ-LBPRGKRZSA-N -1 0 321.174 3.051 10 0 DGAERM CC1(C)CC[C@H](C[NH2+]Cc2cccc(O)c2Br)O1 ZINC000459491393 243387902 /nfs/dbraw/zinc/38/79/02/243387902.db2.gz LXMHWPQSEJOZMN-LLVKDONJSA-N -1 0 314.223 3.202 10 0 DGAERM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc2c(s1)CCC2 ZINC000261601250 304144123 /nfs/dbraw/zinc/14/41/23/304144123.db2.gz BSCBQFHBHILZJQ-UHTWSYAYSA-N -1 0 319.426 3.095 10 0 DGAERM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2cccc3ccccc32)C1 ZINC000261626197 203083016 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308.334 3.185 10 0 DGAERM Cc1cccc(-c2c(C(=O)[O-])nnn2Cc2cccc(F)c2)c1 ZINC000062317360 184229903 /nfs/dbraw/zinc/22/99/03/184229903.db2.gz SGSJGZWGNIRDBQ-UHFFFAOYSA-N -1 0 311.316 3.139 10 0 DGAERM CC1(C(=O)[O-])CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000062842092 184256074 /nfs/dbraw/zinc/25/60/74/184256074.db2.gz OWRIAJMGBKEVQJ-UHFFFAOYSA-N -1 0 316.184 3.320 10 0 DGAERM CCCOc1ccccc1/C=C/C(=O)NCCCCCC(=O)[O-] ZINC000064873469 184305145 /nfs/dbraw/zinc/30/51/45/184305145.db2.gz VKQIORICFZSDNF-VAWYXSNFSA-N -1 0 319.401 3.250 10 0 DGAERM CCNC(=O)c1cccc(-c2cc(Cl)ccc2C(=O)[O-])c1 ZINC000065354437 184326942 /nfs/dbraw/zinc/32/69/42/184326942.db2.gz CDHNVOHBAUTDQH-UHFFFAOYSA-N -1 0 303.745 3.455 10 0 DGAERM COC(=O)c1ccc(-c2cc(N)cc(C(=O)[O-])c2)cc1Cl ZINC000065354990 184327355 /nfs/dbraw/zinc/32/73/55/184327355.db2.gz OHUQFGYEZUZOLB-UHFFFAOYSA-N -1 0 305.717 3.074 10 0 DGAERM CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])cc1 ZINC000066339919 184403927 /nfs/dbraw/zinc/40/39/27/184403927.db2.gz 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321.501 3.124 10 0 DGAERM O=C([O-])[C@H](O)c1ccc(Cl)c(C(F)(F)F)c1C(F)(F)F ZINC000514284550 400308432 /nfs/dbraw/zinc/30/84/32/400308432.db2.gz WOPZLLOFQGGJQN-SSDOTTSWSA-N -1 0 322.588 3.496 10 0 DGAERM Cc1ccc([C@H](O)C(=O)[O-])c(C(F)(F)F)c1C(F)(F)F ZINC000514283601 400308489 /nfs/dbraw/zinc/30/84/89/400308489.db2.gz BLTBPYGCYRINIQ-QMMMGPOBSA-N -1 0 302.170 3.151 10 0 DGAERM CCc1ccc([C@@H](O)C(=O)[O-])c(C(F)(F)F)c1C(F)(F)F ZINC000514284188 400308605 /nfs/dbraw/zinc/30/86/05/400308605.db2.gz WITRFFVBODNNJY-SECBINFHSA-N -1 0 316.197 3.405 10 0 DGAERM O=C([O-])c1oc(NC(=O)OCc2ccccc2)nc1C(F)F ZINC000536955381 400314885 /nfs/dbraw/zinc/31/48/85/400314885.db2.gz SDOGOGGTQNHLAJ-UHFFFAOYSA-N -1 0 312.228 3.059 10 0 DGAERM O=C(Nc1ccc2c(c1)NCCC2)c1cnc2ccccc2c1O ZINC000113735323 400381105 /nfs/dbraw/zinc/38/11/05/400381105.db2.gz KTRSZIQKPIMPNG-UHFFFAOYSA-N -1 0 319.364 3.139 10 0 DGAERM Cc1sc([N-]c2nccc(C(C)C)n2)nc1-c1cn[nH]c1 ZINC000113680527 400381274 /nfs/dbraw/zinc/38/12/74/400381274.db2.gz LCKNBPQIFDFFSG-UHFFFAOYSA-N -1 0 300.391 3.499 10 0 DGAERM O=C([O-])CCc1cc(Br)ccc1Br ZINC000036180121 400390156 /nfs/dbraw/zinc/39/01/56/400390156.db2.gz WAKRVSJPVMUCJH-UHFFFAOYSA-N -1 0 307.969 3.229 10 0 DGAERM Cc1cc(S(=O)(=O)[N-]c2cc(C3CC3)nc(C)n2)sc1C ZINC000127476773 400501931 /nfs/dbraw/zinc/50/19/31/400501931.db2.gz FPOYCAOCMDUOFF-UHFFFAOYSA-N -1 0 323.443 3.142 10 0 DGAERM O=C([O-])[C@H](c1ccccc1Br)C1(O)CCCCC1 ZINC000143051548 400632888 /nfs/dbraw/zinc/63/28/88/400632888.db2.gz WQFYLQPPAJZYES-LBPRGKRZSA-N -1 0 313.191 3.313 10 0 DGAERM Cc1c(C(=O)[O-])sc2ncnc(N3CC[C@@H](C(C)C)C3)c12 ZINC000160218145 400733887 /nfs/dbraw/zinc/73/38/87/400733887.db2.gz HPDZHQMBZUKQGF-SNVBAGLBSA-N -1 0 305.403 3.180 10 0 DGAERM C[C@H](COCc1ccccc1)NC(=O)c1c([O-])cc(F)cc1F ZINC000174587994 400860296 /nfs/dbraw/zinc/86/02/96/400860296.db2.gz KPGJLGMLLUSJIN-LLVKDONJSA-N -1 0 321.323 3.006 10 0 DGAERM CCOc1ccccc1/C=C1\C(=O)Nc2cc(C(=O)[O-])ccc21 ZINC000209664165 400943598 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/nfs/dbraw/zinc/79/23/22/165792322.db2.gz DNTUJEKZDXGHET-URLQWDBASA-N -1 0 315.413 3.284 10 0 DGAERM C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000263161897 165840673 /nfs/dbraw/zinc/84/06/73/165840673.db2.gz GFHGKMMRMZIFCH-HUBLWGQQSA-N -1 0 323.820 3.230 10 0 DGAERM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc2cc(Cl)ccc2o1 ZINC000263180348 165841460 /nfs/dbraw/zinc/84/14/60/165841460.db2.gz KFXLORQQRCDSGA-UWVGGRQHSA-N -1 0 321.760 3.412 10 0 DGAERM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000263212429 165844793 /nfs/dbraw/zinc/84/47/93/165844793.db2.gz LPMLCTWNDURFMV-RSUWNVLCSA-N -1 0 319.376 3.236 10 0 DGAERM CCC(CC)CC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000263302473 165850025 /nfs/dbraw/zinc/85/00/25/165850025.db2.gz ZWBFHTGAPNUXEI-UHFFFAOYSA-N -1 0 317.429 3.458 10 0 DGAERM CC[C@@H](NC(=O)c1c([O-])cc(F)cc1F)c1c(C)noc1C ZINC000129702215 545945017 /nfs/dbraw/zinc/94/50/17/545945017.db2.gz RTZZOCFHBXPXNK-LLVKDONJSA-N -1 0 310.300 3.156 10 0 DGAERM Cc1cccc(-c2noc(C[S@@](=O)c3ccc(O)cc3)n2)c1 ZINC000108083314 431119749 /nfs/dbraw/zinc/11/97/49/431119749.db2.gz MUKWMIPJFHSPTG-QFIPXVFZSA-N -1 0 314.366 3.058 10 0 DGAERM O=S(=O)([N-]C[C@@H]1C[C@H]1c1ccccc1)c1c(F)cccc1F ZINC000111358233 431216239 /nfs/dbraw/zinc/21/62/39/431216239.db2.gz RSALCZHFVWABAG-STQMWFEESA-N -1 0 323.364 3.047 10 0 DGAERM Cc1cc(Cl)ccc1OCC(=O)c1nc(C(=O)[O-])cs1 ZINC000008029110 431376983 /nfs/dbraw/zinc/37/69/83/431376983.db2.gz HTCPUDSUPRVCCG-UHFFFAOYSA-N -1 0 311.746 3.065 10 0 DGAERM COc1cccc([N-]S(=O)(=O)c2cc(C)cc(C)c2OC)c1 ZINC000074935587 431444006 /nfs/dbraw/zinc/44/40/06/431444006.db2.gz SGJVGQQRKONCCB-UHFFFAOYSA-N -1 0 321.398 3.121 10 0 DGAERM CC(C)[C@H](C)CC(=O)N1C[C@H](C(=O)[O-])C[C@H](c2ccccc2)C1 ZINC000245612288 280197798 /nfs/dbraw/zinc/19/77/98/280197798.db2.gz WGAGINDZFCSFDM-HYVNUMGLSA-N -1 0 317.429 3.386 10 0 DGAERM CC(C)[C@H](C)CC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2ccccc2)C1 ZINC000180310481 280197843 /nfs/dbraw/zinc/19/78/43/280197843.db2.gz 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CN(Cc1cccc2ccccc21)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263047035 432515646 /nfs/dbraw/zinc/51/56/46/432515646.db2.gz DOCKKVHQCOVBQN-CABCVRRESA-N -1 0 311.381 3.299 10 0 DGAERM Cc1ccc([C@H]2CCCN2C(=O)c2c(C)coc2CC(=O)[O-])o1 ZINC000263048236 432515659 /nfs/dbraw/zinc/51/56/59/432515659.db2.gz WHHIYTABVNKNMG-GFCCVEGCSA-N -1 0 317.341 3.094 10 0 DGAERM Cc1c(Cl)cc(F)c(NC(=O)N(C)C[C@@H](C)C(=O)[O-])c1F ZINC000263060441 432516417 /nfs/dbraw/zinc/51/64/17/432516417.db2.gz OJJZYDAHZAPMMK-ZCFIWIBFSA-N -1 0 320.723 3.111 10 0 DGAERM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)o1 ZINC000263183521 432525892 /nfs/dbraw/zinc/52/58/92/432525892.db2.gz HPUNAIAMUSFPIL-RZFFKMDDSA-N -1 0 319.401 3.389 10 0 DGAERM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2csc3ccccc23)C1 ZINC000263213915 432527712 /nfs/dbraw/zinc/52/77/12/432527712.db2.gz ZMRNPWLFGTYUNJ-GHMZBOCLSA-N -1 0 318.398 3.476 10 0 DGAERM O=C([O-])CCCCC(=O)NCc1csc(-c2ccccc2)n1 ZINC000263267649 432529441 /nfs/dbraw/zinc/52/94/41/432529441.db2.gz HSMNSEWUCOKWJO-UHFFFAOYSA-N -1 0 318.398 3.071 10 0 DGAERM CCC(CC)[C@@H](C)C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000263353076 432536373 /nfs/dbraw/zinc/53/63/73/432536373.db2.gz QLZKPXOICMTSDZ-SCZZXKLOSA-N -1 0 312.435 3.399 10 0 DGAERM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H](C)c1ccccc1C ZINC000263452739 432545599 /nfs/dbraw/zinc/54/55/99/432545599.db2.gz SYXXRTRFXVHZLY-LBPRGKRZSA-N -1 0 301.342 3.015 10 0 DGAERM Cc1coc(CC(=O)[O-])c1C(=O)N(C)[C@H](C)c1ccc(C)cc1 ZINC000263478075 432548021 /nfs/dbraw/zinc/54/80/21/432548021.db2.gz ZRJHZSYNMIIFDC-CYBMUJFWSA-N -1 0 315.369 3.357 10 0 DGAERM CN1CCc2ccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)cc21 ZINC000195065989 432597503 /nfs/dbraw/zinc/59/75/03/432597503.db2.gz ZCGFTQNAYZTERW-UHFFFAOYSA-N -1 0 320.751 3.429 10 0 DGAERM CSc1ccc(CNC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000186689398 432623112 /nfs/dbraw/zinc/62/31/12/432623112.db2.gz VRTKZGXPNNNHQO-UHFFFAOYSA-N -1 0 309.337 3.322 10 0 DGAERM 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317.429 3.263 10 0 DGAERM Cc1ccccc1[C@H]1C[C@H]1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000263124792 165837862 /nfs/dbraw/zinc/83/78/62/165837862.db2.gz FMVWLGFQFTUQPS-ZIAGYGMSSA-N -1 0 315.394 3.175 10 0 DGAERM CC(C)[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000263212445 165844822 /nfs/dbraw/zinc/84/48/22/165844822.db2.gz LQBBJLPAGLNRFV-PMPSAXMXSA-N -1 0 303.402 3.043 10 0 DGAERM CC(C)c1ccc(CCCNC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000263295880 165850063 /nfs/dbraw/zinc/85/00/63/165850063.db2.gz NAMKUQACWDBXAK-SJORKVTESA-N -1 0 317.429 3.360 10 0 DGAERM Cc1cccc(C)c1CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000263307263 165850954 /nfs/dbraw/zinc/85/09/54/165850954.db2.gz WEBVHMAJPJXNPA-SFHVURJKSA-N -1 0 323.392 3.057 10 0 DGAERM C/C=C/C[C@@H](NC(=O)[C@H](C)c1ccc(Cl)s1)C(=O)[O-] ZINC000263306478 165851082 /nfs/dbraw/zinc/85/10/82/165851082.db2.gz VYZRTTSOGKWANL-HUGTUPKYSA-N -1 0 301.795 3.041 10 0 DGAERM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263327355 165852456 /nfs/dbraw/zinc/85/24/56/165852456.db2.gz PAGSCBZONUSLLN-LOWDOPEQSA-N -1 0 319.376 3.161 10 0 DGAERM Cc1ccccc1C1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000263335559 165852588 /nfs/dbraw/zinc/85/25/88/165852588.db2.gz QUMRKDJXWNVDQP-CVEARBPZSA-N -1 0 315.413 3.202 10 0 DGAERM Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000263353263 165854698 /nfs/dbraw/zinc/85/46/98/165854698.db2.gz WFWKLNFHJJYWGG-PMPSAXMXSA-N -1 0 301.386 3.159 10 0 DGAERM CC(C)[C@H]1C[C@@H](NC(=O)N(C)C[C@@H](C)C(=O)[O-])c2ccccc21 ZINC000263395068 165860182 /nfs/dbraw/zinc/86/01/82/165860182.db2.gz RDLSHMADIREYRE-DAXOMENPSA-N -1 0 318.417 3.233 10 0 DGAERM CC(C)[C@H](C)N(C)C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263443133 165866168 /nfs/dbraw/zinc/86/61/68/165866168.db2.gz FDOFUUSAZOVAJI-GOEBONIOSA-N -1 0 320.433 3.148 10 0 DGAERM C[C@@H]1CCCCN1C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263474986 165869225 /nfs/dbraw/zinc/86/92/25/165869225.db2.gz MIUMVQVFEJWYRX-GDBMZVCRSA-N -1 0 318.417 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CCc1cccc(C)c1NC(=O)Cc1nc(C)c(C(=O)[O-])s1 ZINC000008024308 431376020 /nfs/dbraw/zinc/37/60/20/431376020.db2.gz RTRKQAJJASYGNT-UHFFFAOYSA-N -1 0 318.398 3.202 10 0 DGAERM Cc1cccc(NC(=O)[C@@H](C)c2nc(C(=O)[O-])cs2)c1C ZINC000008028295 431376038 /nfs/dbraw/zinc/37/60/38/431376038.db2.gz QUPJLSNUYLVFKY-SNVBAGLBSA-N -1 0 304.371 3.200 10 0 DGAERM COc1c(=O)c2cc(C(=O)[O-])ccc2oc1-c1ccc(F)cc1 ZINC000027074091 431682347 /nfs/dbraw/zinc/68/23/47/431682347.db2.gz CFWBBWSIHYINSB-UHFFFAOYSA-N -1 0 314.268 3.306 10 0 DGAERM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@H](C)CCC(=O)[O-])cc1 ZINC000262168313 280620539 /nfs/dbraw/zinc/62/05/39/280620539.db2.gz QBMUUTGJSDHWKL-KCXAZCMYSA-N -1 0 303.402 3.283 10 0 DGAERM CCC[C@H](NCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000036838674 431841447 /nfs/dbraw/zinc/84/14/47/431841447.db2.gz PCYPYTDYUHILQD-LBPRGKRZSA-N -1 0 308.765 3.338 10 0 DGAERM C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])c1ccc(Cl)s1 ZINC000037793998 431849690 /nfs/dbraw/zinc/84/96/90/431849690.db2.gz 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