smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(Cc1c(Cl)nc2ccccn21)c1ccc(OCC(=O)[O-])cc1 ZINC001598505146 992493677 /nfs/dbraw/zinc/49/36/77/992493677.db2.gz CBHLOZQCHRBWOU-UHFFFAOYSA-N -1 0 345.786 3.088 20 10 EGCDRM COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])s2)c1 ZINC001599598262 993778232 /nfs/dbraw/zinc/77/82/32/993778232.db2.gz JSZCXPXDBHGNNY-QMMMGPOBSA-N -1 0 336.369 3.043 20 10 EGCDRM C[C@H](Nc1cccc([C@@H]2CCC(=O)N2)c1)c1cc(C(=O)[O-])ccc1O ZINC001593366223 995048831 /nfs/dbraw/zinc/04/88/31/995048831.db2.gz VIMCDKVVDTVFFI-ZBEGNZNMSA-N -1 0 340.379 3.215 20 10 EGCDRM CO[C@@H](C)c1nc(CN[C@@H](C)c2cc(C(=O)[O-])ccc2O)cs1 ZINC001599043588 999134974 /nfs/dbraw/zinc/13/49/74/999134974.db2.gz XMIQUYYRTLHKHS-UWVGGRQHSA-N -1 0 336.413 3.105 20 10 EGCDRM Cc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2O)nc(N2CCCC2)n1 ZINC000293655348 455793632 /nfs/dbraw/zinc/79/36/32/455793632.db2.gz LOEKKZGVNIOOIA-ZDUSSCGKSA-N -1 0 330.407 3.081 20 10 EGCDRM O=[N+]([O-])c1cc(Cl)cc(CN2C[C@H](CO)c3ccccc32)c1[O-] ZINC000294012729 455803061 /nfs/dbraw/zinc/80/30/61/455803061.db2.gz UJQMCURMUIICRP-LLVKDONJSA-N -1 0 334.759 3.050 20 10 EGCDRM [O-]c1c(Cl)cc(Cl)cc1CNc1cccnc1-n1cncn1 ZINC000194376287 455833538 /nfs/dbraw/zinc/83/35/38/455833538.db2.gz ZRZBWGQVIVDXFJ-UHFFFAOYSA-N -1 0 336.182 3.287 20 10 EGCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1COc2ccccc21 ZINC000377101023 458462771 /nfs/dbraw/zinc/46/27/71/458462771.db2.gz RTYFFWUPBIGBGS-GFCCVEGCSA-N -1 0 338.190 3.491 20 10 EGCDRM CN(Cc1ccccc1O)C(=O)c1cccc(Br)c1[O-] ZINC000730278803 574965247 /nfs/dbraw/zinc/96/52/47/574965247.db2.gz WKHYNPQMBVLCEE-UHFFFAOYSA-N -1 0 336.185 3.133 20 10 EGCDRM CN1CCCc2cc(CNC(=O)c3ccccc3NC(=O)[O-])ccc21 ZINC000737517046 576240335 /nfs/dbraw/zinc/24/03/35/576240335.db2.gz GWSJVFLEFAEJGA-UHFFFAOYSA-N -1 0 339.395 3.089 20 10 EGCDRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c(C)n1-c1ccc(F)cc1 ZINC000738325903 576314686 /nfs/dbraw/zinc/31/46/86/576314686.db2.gz GTBKOJJJGWGCDJ-INIZCTEOSA-N -1 0 346.402 3.462 20 10 EGCDRM O=C([O-])/C=C/c1ccc(N(Cc2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000739623347 576435559 /nfs/dbraw/zinc/43/55/59/576435559.db2.gz DUCNCWVXEKLBIX-XBXARRHUSA-N -1 0 339.351 3.257 20 10 EGCDRM CC(C)n1cc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)cn1 ZINC000743045335 576800624 /nfs/dbraw/zinc/80/06/24/576800624.db2.gz GBUXNZLQWUDCRG-UHFFFAOYSA-N -1 0 348.453 3.388 20 10 EGCDRM O=C([O-])c1cccc(C[NH2+]Cc2cccc(Br)c2[O-])c1 ZINC000821552225 598194248 /nfs/dbraw/zinc/19/42/48/598194248.db2.gz AOBCTJGJORXALH-UHFFFAOYSA-N -1 0 336.185 3.143 20 10 EGCDRM Cc1cc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)c(C)n1-c1ccc(F)cc1 ZINC000237777666 600199970 /nfs/dbraw/zinc/19/99/70/600199970.db2.gz XXTCJVYQUJTDEN-LJQANCHMSA-N -1 0 344.386 3.216 20 10 EGCDRM O=C([O-])C[C@H](NC(=O)C1=CC(=O)CS1)c1cccc(Cl)c1 ZINC000833198654 600815523 /nfs/dbraw/zinc/81/55/23/600815523.db2.gz FGFXVIRCWHSAMU-NSHDSACASA-N -1 0 325.773 3.053 20 10 EGCDRM CC(C)[C@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCS1 ZINC000826742342 600825082 /nfs/dbraw/zinc/82/50/82/600825082.db2.gz ZAGLRQYNUPZAQE-CSPWOOARSA-N -1 0 336.413 3.270 20 10 EGCDRM O=C([O-])/C=C\c1ccc(N2CCCC[C@@H]2c2ncc[nH]2)c([N+](=O)[O-])c1 ZINC000833195984 601258750 /nfs/dbraw/zinc/25/87/50/601258750.db2.gz LDAAJKLIIIIJSE-BRLPQQTGSA-N -1 0 342.355 3.147 20 10 EGCDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1C ZINC000078005216 1292492063 /nfs/dbraw/zinc/49/20/63/1292492063.db2.gz UDYGHACOADMUIM-UHFFFAOYSA-N -1 0 336.369 3.026 20 10 EGCDRM CCOC(=O)[C@H]1CCCCN1Cc1cccc(Br)c1[O-] ZINC000161263875 1294288171 /nfs/dbraw/zinc/28/81/71/1294288171.db2.gz UJZBWQYHZPBKDL-CYBMUJFWSA-N -1 0 342.233 3.072 20 10 EGCDRM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cccc(O)c2O)cc1 ZINC000187154599 1295371551 /nfs/dbraw/zinc/37/15/51/1295371551.db2.gz YVYYARHFKSPXSW-BEFAXECRSA-N -1 0 341.407 3.304 20 10 EGCDRM O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000588407487 1298059633 /nfs/dbraw/zinc/05/96/33/1298059633.db2.gz WOUXWJGOIMQXTK-KXFIGUGUSA-N -1 0 328.349 3.180 20 10 EGCDRM [O-]c1c(Cl)cc(Cl)cc1CN1CCO[C@@H](C(F)(F)F)C1 ZINC000698973458 1298169571 /nfs/dbraw/zinc/16/95/71/1298169571.db2.gz YBPKLILLUGQTDY-SNVBAGLBSA-N -1 0 330.133 3.462 20 10 EGCDRM CC(C)(C)[C@@H]1CN(Cc2cccc(Br)c2[O-])CCO1 ZINC000708999866 1298248260 /nfs/dbraw/zinc/24/82/60/1298248260.db2.gz JBYHILGYQLBZFL-ZDUSSCGKSA-N -1 0 328.250 3.402 20 10 EGCDRM O=C([O-])[C@H]1CC[C@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715781676 1298285338 /nfs/dbraw/zinc/28/53/38/1298285338.db2.gz SXFYXFBEJPLVFR-JLIMDTESSA-N -1 0 346.196 3.027 20 10 EGCDRM CC(C)Oc1ccc(N(C)CC(=O)[N-]OCc2ccccc2)cc1 ZINC000759914188 1301188326 /nfs/dbraw/zinc/18/83/26/1301188326.db2.gz JEWZVEYWSWICKJ-UHFFFAOYSA-N -1 0 328.412 3.158 20 10 EGCDRM CC[C@@](C)(NC(=O)c1cc(C)n(-c2ccccc2C)c1C)C(=O)[O-] ZINC000761586015 1301504831 /nfs/dbraw/zinc/50/48/31/1301504831.db2.gz QBZWHIXUCHIGQQ-LJQANCHMSA-N -1 0 328.412 3.386 20 10 EGCDRM CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000761998971 1301586882 /nfs/dbraw/zinc/58/68/82/1301586882.db2.gz DESWDAPLNWOOKC-UHFFFAOYSA-N -1 0 343.351 3.258 20 10 EGCDRM [O-]c1c(F)cc(Cl)cc1CN1CCC(O)(C(F)(F)F)CC1 ZINC000768518419 1302923220 /nfs/dbraw/zinc/92/32/20/1302923220.db2.gz FJDMKVXWLMQKTI-UHFFFAOYSA-N -1 0 327.705 3.074 20 10 EGCDRM CC(C)C[C@H]1COCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769399958 1303107308 /nfs/dbraw/zinc/10/73/08/1303107308.db2.gz ZBCBCSLIFOTMQB-ZDUSSCGKSA-N -1 0 328.796 3.201 20 10 EGCDRM CCSc1cccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c1 ZINC000769726130 1303166044 /nfs/dbraw/zinc/16/60/44/1303166044.db2.gz PAOFTHOMBQELHR-XFFZJAGNSA-N -1 0 339.463 3.084 20 10 EGCDRM COC(=O)[C@@H]1C[C@@H](C)CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000776002855 1304077362 /nfs/dbraw/zinc/07/73/62/1304077362.db2.gz USBJQUIPMDNRCO-ZANVPECISA-N -1 0 332.227 3.473 20 10 EGCDRM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1c(C)cccc1F ZINC000790411986 1306320301 /nfs/dbraw/zinc/32/03/01/1306320301.db2.gz XZIMCRBULFIZEZ-UHFFFAOYSA-N -1 0 325.361 3.039 20 10 EGCDRM COC(=O)[C@H](Cc1ccccc1)NCc1c([O-])ccc(Cl)c1F ZINC000792178668 1309137598 /nfs/dbraw/zinc/13/75/98/1309137598.db2.gz FDFZXQPYPYQXLJ-AWEZNQCLSA-N -1 0 337.778 3.059 20 10 EGCDRM C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCOC1 ZINC000805273333 1317335886 /nfs/dbraw/zinc/33/58/86/1317335886.db2.gz LYWZJWQVKDJPEA-VHSXEESVSA-N -1 0 347.242 3.313 20 10 EGCDRM COCC1(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CCC1 ZINC000805450082 1317366592 /nfs/dbraw/zinc/36/65/92/1317366592.db2.gz AVAWLAVJXKDAGD-UHFFFAOYSA-N -1 0 347.242 3.315 20 10 EGCDRM CCn1nccc1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000806390232 1317486059 /nfs/dbraw/zinc/48/60/59/1317486059.db2.gz HRAGRZWOMLUFBI-UHFFFAOYSA-N -1 0 329.187 3.237 20 10 EGCDRM Cn1nc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc1C1CC1 ZINC000807836506 1317589468 /nfs/dbraw/zinc/58/94/68/1317589468.db2.gz YVDSBTKXYALONG-UHFFFAOYSA-N -1 0 340.210 3.240 20 10 EGCDRM CC(C)NC(=O)CCCC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807836728 1317590965 /nfs/dbraw/zinc/59/09/65/1317590965.db2.gz MHQCNTQSFMFZSI-UHFFFAOYSA-N -1 0 347.242 3.010 20 10 EGCDRM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1cncc(Cl)c1 ZINC000808115794 1317626740 /nfs/dbraw/zinc/62/67/40/1317626740.db2.gz SMDYGGJCYZEEDS-UHFFFAOYSA-N -1 0 337.159 3.034 20 10 EGCDRM O=C(Cc1ccccc1CO)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813683996 1318618938 /nfs/dbraw/zinc/61/89/38/1318618938.db2.gz BUOGIVXCMHITDV-UHFFFAOYSA-N -1 0 340.206 3.050 20 10 EGCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H](O)c1ccccc1 ZINC000813682909 1318619171 /nfs/dbraw/zinc/61/91/71/1318619171.db2.gz NCBFKMNYZUDNMX-AWEZNQCLSA-N -1 0 326.179 3.049 20 10 EGCDRM O=[N+]([O-])c1cc(Cl)cc(CN2C[C@H](CO)Cc3ccccc32)c1[O-] ZINC000814169556 1318686427 /nfs/dbraw/zinc/68/64/27/1318686427.db2.gz JFQRRKCIKNIYGX-LLVKDONJSA-N -1 0 348.786 3.125 20 10 EGCDRM [O-]c1ccc(Cl)c(F)c1CNCc1ncn(-c2ccccc2)n1 ZINC000815162620 1318917496 /nfs/dbraw/zinc/91/74/96/1318917496.db2.gz LVFJENZAVVLHET-UHFFFAOYSA-N -1 0 332.766 3.055 20 10 EGCDRM [O-]c1c(Cl)cccc1CN1CCc2c(nnn2-c2ccccc2)C1 ZINC000816618522 1319195588 /nfs/dbraw/zinc/19/55/88/1319195588.db2.gz ZXJHRHWPMAUAQS-UHFFFAOYSA-N -1 0 340.814 3.185 20 10 EGCDRM [O-]c1c(Br)cccc1CN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000816667015 1319205473 /nfs/dbraw/zinc/20/54/73/1319205473.db2.gz ZSCRMSNBPIJTGY-JKSUJKDBSA-N -1 0 338.245 3.298 20 10 EGCDRM CCc1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])nn1C ZINC000817328966 1319327580 /nfs/dbraw/zinc/32/75/80/1319327580.db2.gz DVUNIGFGISTVSA-UHFFFAOYSA-N -1 0 343.214 3.317 20 10 EGCDRM CCCCN(Cc1ccccc1O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000818624834 1319571628 /nfs/dbraw/zinc/57/16/28/1319571628.db2.gz VRHXUZUUPUPTDW-UHFFFAOYSA-N -1 0 336.432 3.205 20 10 EGCDRM CCOC(=O)C[C@H](NCc1cc(Cl)cc(F)c1[O-])C(F)(F)F ZINC000827006410 1320419929 /nfs/dbraw/zinc/41/99/29/1320419929.db2.gz QUFRJMLTSJQPNE-JTQLQIEISA-N -1 0 343.704 3.158 20 10 EGCDRM C[C@@H](CSCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(=O)[O-] ZINC000843304720 1321500544 /nfs/dbraw/zinc/50/05/44/1321500544.db2.gz AFGUHWKKQMFMOV-QMMMGPOBSA-N -1 0 338.256 3.243 20 10 EGCDRM CC(C)Cn1nccc1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000843891025 1321556222 /nfs/dbraw/zinc/55/62/22/1321556222.db2.gz WWUJMAGHPIAFII-UHFFFAOYSA-N -1 0 342.226 3.482 20 10 EGCDRM Cc1cccc([C@H]2C(=O)NCCN2Cc2cc(Cl)cc(F)c2[O-])c1 ZINC000848951400 1322051291 /nfs/dbraw/zinc/05/12/91/1322051291.db2.gz TXRXOWCFDRKPDE-INIZCTEOSA-N -1 0 348.805 3.166 20 10 EGCDRM CCCN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@H](CC)C(=O)[O-] ZINC000929046437 1328496461 /nfs/dbraw/zinc/49/64/61/1328496461.db2.gz UDYOHECEXWXHIM-XJKSGUPXSA-N -1 0 335.448 3.098 20 10 EGCDRM CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(Cl)c1[O-] ZINC000935949423 1330098778 /nfs/dbraw/zinc/09/87/78/1330098778.db2.gz ZPROZNLVYAWAFA-UHFFFAOYSA-N -1 0 326.776 3.167 20 10 EGCDRM CN(Cc1nc(=O)c2sccc2[n-]1)Cc1c(O)cccc1Cl ZINC001324006492 1387508240 /nfs/dbraw/zinc/50/82/40/1387508240.db2.gz IBRQTUUCNZSBPN-UHFFFAOYSA-N -1 0 335.816 3.388 20 10 EGCDRM O=C([O-])c1ccc(NC(=S)NCc2nccc3ccccc32)cc1 ZINC001197127292 1368750152 /nfs/dbraw/zinc/75/01/52/1368750152.db2.gz QGGKBBZKUXVEIN-UHFFFAOYSA-N -1 0 337.404 3.420 20 10 EGCDRM Cc1cccc(S(=O)(=O)[N-]c2nc(-c3ccncc3)cs2)c1F ZINC001200650449 1369406067 /nfs/dbraw/zinc/40/60/67/1369406067.db2.gz YWUPPZMSWOQBPX-UHFFFAOYSA-N -1 0 349.412 3.453 20 10 EGCDRM COC(=O)c1sc(C(=O)OC)c(O[C@@H]2CCc3ccccc32)c1[O-] ZINC001227620890 1375454310 /nfs/dbraw/zinc/45/43/10/1375454310.db2.gz WLUNYRRARBCPGZ-LLVKDONJSA-N -1 0 348.376 3.093 20 10 EGCDRM CCC1CCC(Oc2c([O-])c(C(=O)OC)sc2C(=O)OC)CC1 ZINC001227623772 1375455736 /nfs/dbraw/zinc/45/57/36/1375455736.db2.gz WERNIKPVKCDPHR-UHFFFAOYSA-N -1 0 342.413 3.375 20 10 EGCDRM O=C([O-])c1ccc(CN2Cc3cnc(-c4ccccc4)nc3C2)c(O)c1 ZINC001231454743 1376244444 /nfs/dbraw/zinc/24/44/44/1376244444.db2.gz UKBHOGBJZFPQOD-UHFFFAOYSA-N -1 0 347.374 3.063 20 10 EGCDRM CC(=O)[C@@H]1CCCCN1Cc1c([O-])cc(Br)cc1F ZINC001233029172 1376558076 /nfs/dbraw/zinc/55/80/76/1376558076.db2.gz AQFNVWATBZQIBG-ZDUSSCGKSA-N -1 0 330.197 3.237 20 10 EGCDRM Cc1nc([C@@H]2COCCN2Cc2ccc(F)c(F)c2[O-])cs1 ZINC001233075248 1376563459 /nfs/dbraw/zinc/56/34/59/1376563459.db2.gz SYKMWROIWYKVTC-ZDUSSCGKSA-N -1 0 326.368 3.009 20 10 EGCDRM C[C@@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-])c1ccncc1 ZINC001251388010 1377085639 /nfs/dbraw/zinc/08/56/39/1377085639.db2.gz WLYOWQIDJMFERD-MRVPVSSYSA-N -1 0 347.223 3.134 20 10 EGCDRM COc1ccccc1N1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139685800 1377933717 /nfs/dbraw/zinc/93/37/17/1377933717.db2.gz XQKUGQJWUFLFGR-UHFFFAOYSA-N -1 0 334.366 3.001 20 10 EGCDRM CC(C)(C)OC(=O)[C@@H]1CCCCN1Cc1c(F)ccc(F)c1[O-] ZINC001139684472 1377933820 /nfs/dbraw/zinc/93/38/20/1377933820.db2.gz WCEMZAHIBYIZKM-AWEZNQCLSA-N -1 0 327.371 3.367 20 10 EGCDRM Cc1nc([C@@H]2COCCN2Cc2c(F)ccc(F)c2[O-])cs1 ZINC001139682178 1377933837 /nfs/dbraw/zinc/93/38/37/1377933837.db2.gz RJBBZSGEHLVOHJ-AWEZNQCLSA-N -1 0 326.368 3.009 20 10 EGCDRM C[C@H]1C[C@@H](CO)[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141367691 1378311907 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/nfs/dbraw/zinc/62/16/09/1317621609.db2.gz AOSUJPQHPFJMFP-UHFFFAOYSA-N -1 0 347.223 3.110 20 10 EGCDRM COc1cc(OC)nc(NCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000808090271 1317622099 /nfs/dbraw/zinc/62/20/99/1317622099.db2.gz WVYJQLHRLGLENG-UHFFFAOYSA-N -1 0 330.171 3.118 20 10 EGCDRM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1ccc2c(c1)CCC2 ZINC000808114398 1317626337 /nfs/dbraw/zinc/62/63/37/1317626337.db2.gz WROYIBRCVILWNX-UHFFFAOYSA-N -1 0 341.791 3.474 20 10 EGCDRM O=C([O-])[C@@H](CC[NH2+]Cc1cc(F)cc(F)c1[O-])Cc1ccccc1 ZINC000903992204 1317762975 /nfs/dbraw/zinc/76/29/75/1317762975.db2.gz AXMLLRQYHFZJRQ-ZDUSSCGKSA-N -1 0 335.350 3.094 20 10 EGCDRM Cc1cccc(C[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C(=O)[O-])c1 ZINC000903993780 1317763798 /nfs/dbraw/zinc/76/37/98/1317763798.db2.gz LNMRXMFYDYDCPD-CQSZACIVSA-N -1 0 335.350 3.012 20 10 EGCDRM C[C@H](CCC(=O)[O-])[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000904013586 1317768798 /nfs/dbraw/zinc/76/87/98/1317768798.db2.gz HZYVYGZANSNAOW-SSDOTTSWSA-N -1 0 336.613 3.151 20 10 EGCDRM Cn1cc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])c(C2CC2)n1 ZINC000813684374 1318619639 /nfs/dbraw/zinc/61/96/39/1318619639.db2.gz PJHJBZWFFUQVTI-UHFFFAOYSA-N -1 0 340.210 3.240 20 10 EGCDRM O=C(C[C@H]1CCCC[C@@H]1O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813682571 1318619992 /nfs/dbraw/zinc/61/99/92/1318619992.db2.gz FZFYQPOMVOTUPK-RNCFNFMXSA-N -1 0 332.227 3.256 20 10 EGCDRM Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816520590 1319174795 /nfs/dbraw/zinc/17/47/95/1319174795.db2.gz SMMUGTVYVGGTSD-AWEZNQCLSA-N -1 0 339.798 3.098 20 10 EGCDRM CCOC(=O)c1cc(NCc2cc(Cl)c(F)cc2O)cn1C ZINC000816610836 1319194079 /nfs/dbraw/zinc/19/40/79/1319194079.db2.gz APPCSAZRFAXNHC-UHFFFAOYSA-N -1 0 326.755 3.312 20 10 EGCDRM C[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1[O-])c1cnn(C)c1 ZINC000839772204 1320974663 /nfs/dbraw/zinc/97/46/63/1320974663.db2.gz ZLNKDTHRTNCJDO-VIFPVBQESA-N -1 0 342.226 3.243 20 10 EGCDRM Cc1nn(C)c2nc(/C=C/c3ccc4c(c3)CCN4C)cc(C(=O)[O-])c12 ZINC000844552223 1321620156 /nfs/dbraw/zinc/62/01/56/1321620156.db2.gz VZBXVHBMGCUEEV-GQCTYLIASA-N -1 0 348.406 3.138 20 10 EGCDRM COc1cc(O)ccc1[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC001191191578 1367443345 /nfs/dbraw/zinc/44/33/45/1367443345.db2.gz AEJHEXYSTCAVHP-UHFFFAOYSA-N -1 0 344.392 3.058 20 10 EGCDRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc(O)c1O ZINC001191698163 1367563843 /nfs/dbraw/zinc/56/38/43/1367563843.db2.gz VRKZMBPARRAEQK-UHFFFAOYSA-N -1 0 337.397 3.031 20 10 EGCDRM COc1cc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)cc(O)c1O ZINC001193104644 1367945929 /nfs/dbraw/zinc/94/59/29/1367945929.db2.gz OZAJWRWFVSMEBH-UHFFFAOYSA-N -1 0 348.405 3.257 20 10 EGCDRM O=C(Nc1nc(C(F)(F)F)cs1)c1cc(O)c([O-])c(Cl)c1 ZINC001193589302 1368067619 /nfs/dbraw/zinc/06/76/19/1368067619.db2.gz HYAXPKBPFVHMBB-UHFFFAOYSA-N -1 0 338.694 3.479 20 10 EGCDRM O=C(Nc1cnc2ccc(O)cc2c1)c1cc(O)c([O-])c(Cl)c1 ZINC001193605312 1368072147 /nfs/dbraw/zinc/07/21/47/1368072147.db2.gz DMWKCTPOOMPMRS-UHFFFAOYSA-N -1 0 330.727 3.257 20 10 EGCDRM Cc1oncc1S(=O)(=O)[N-]c1ccccc1C(=O)c1ccccc1 ZINC001187368349 1388100439 /nfs/dbraw/zinc/10/04/39/1388100439.db2.gz CYAGIECGNMPLQL-UHFFFAOYSA-N -1 0 342.376 3.015 20 10 EGCDRM N[C@@]1(C(F)(F)F)CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001206222119 1370997204 /nfs/dbraw/zinc/99/72/04/1370997204.db2.gz LXWKHDFUJILIJZ-NSHDSACASA-N -1 0 329.149 3.165 20 10 EGCDRM O=C([O-])Cc1cccc(C(=O)c2ccccc2)c1Nc1ccnnc1 ZINC001209959948 1372241602 /nfs/dbraw/zinc/24/16/02/1372241602.db2.gz BAMPACUMFBPTLF-UHFFFAOYSA-N -1 0 333.347 3.078 20 10 EGCDRM Cc1ccc(Br)cc1-c1noc(-c2cc([O-])[nH]c(=O)c2)n1 ZINC001212565407 1372729191 /nfs/dbraw/zinc/72/91/91/1372729191.db2.gz ODAYRTIGPCNBII-UHFFFAOYSA-N -1 0 348.156 3.281 20 10 EGCDRM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@@H]1F ZINC001231912498 1376349160 /nfs/dbraw/zinc/34/91/60/1376349160.db2.gz JBBVZNZHVGMNCE-QWHCGFSZSA-N -1 0 344.814 3.093 20 10 EGCDRM C[C@@H]1CN(C(=O)c2ccccc2)CCN1Cc1cccc(Cl)c1[O-] ZINC001231913819 1376349575 /nfs/dbraw/zinc/34/95/75/1376349575.db2.gz SOWINOOIANZJDK-CQSZACIVSA-N -1 0 344.842 3.392 20 10 EGCDRM [O-]c1c(Cl)cccc1CN1CC[C@@H](N2CCCC2)C(F)(F)C1 ZINC001231913758 1376349977 /nfs/dbraw/zinc/34/99/77/1376349977.db2.gz RFYAPIPHUOTNEA-CQSZACIVSA-N -1 0 330.806 3.351 20 10 EGCDRM [O-]c1c(Br)cc(F)cc1CN1CCc2ncccc2C1 ZINC001235304297 1376867143 /nfs/dbraw/zinc/86/71/43/1376867143.db2.gz WTGZMOYIPKVCHM-UHFFFAOYSA-N -1 0 337.192 3.247 20 10 EGCDRM [O-]c1c(F)ccc(F)c1C[N@H+](Cc1cccnc1)C1CCOCC1 ZINC001139683582 1377933744 /nfs/dbraw/zinc/93/37/44/1377933744.db2.gz NFMUWXDMLDHSHO-UHFFFAOYSA-N -1 0 334.366 3.247 20 10 EGCDRM [O-]c1c(F)ccc(F)c1CN1CCN(c2ccc(F)cc2F)CC1 ZINC001139682805 1377933804 /nfs/dbraw/zinc/93/38/04/1377933804.db2.gz COWZFRWYZKQOGC-UHFFFAOYSA-N -1 0 340.320 3.271 20 10 EGCDRM [O-]c1c(Br)cc(Cl)cc1CN1CCOC[C@H]1C1CC1 ZINC001141374690 1378312923 /nfs/dbraw/zinc/31/29/23/1378312923.db2.gz NBXGSUMKNLWUHN-ZDUSSCGKSA-N -1 0 346.652 3.419 20 10 EGCDRM CC[C@@]12C[C@@H](CO1)N(Cc1cc(Br)c(F)cc1[O-])C2 ZINC001144306780 1378714253 /nfs/dbraw/zinc/71/42/53/1378714253.db2.gz QCXOXIRIJOJHNQ-HZMBPMFUSA-N -1 0 330.197 3.047 20 10 EGCDRM CC(C)[C@@H](C)C(=O)Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001181494704 1387004563 /nfs/dbraw/zinc/00/45/63/1387004563.db2.gz SLVSTRHGNPVLRY-LLVKDONJSA-N -1 0 337.375 3.398 20 10 EGCDRM COC(=O)c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])o1 ZINC001346818579 1390980523 /nfs/dbraw/zinc/98/05/23/1390980523.db2.gz DFBMJYNZPVEMTK-UHFFFAOYSA-N -1 0 344.150 3.009 20 10 EGCDRM CN(C)c1ccc(CN(C)C(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC000852942864 955857972 /nfs/dbraw/zinc/85/79/72/955857972.db2.gz NTMGFDBIKFGATH-UHFFFAOYSA-N -1 0 332.444 3.136 20 10 EGCDRM CCCCN(Cc1ccccc1O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000848590676 969267912 /nfs/dbraw/zinc/26/79/12/969267912.db2.gz OODZIXOHDMHYNZ-HNNXBMFYSA-N -1 0 336.432 3.061 20 10 EGCDRM CCCN(CC(=O)[O-])C(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001603661814 974036682 /nfs/dbraw/zinc/03/66/82/974036682.db2.gz TTZXGJTWJKYXIM-UHFFFAOYSA-N -1 0 328.412 3.339 20 10 EGCDRM C[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1ccc(N(C)C)cc1 ZINC000773901434 978744882 /nfs/dbraw/zinc/74/48/82/978744882.db2.gz UACUMVIBXURKOI-CQSZACIVSA-N -1 0 332.444 3.355 20 10 EGCDRM O=C([O-])CCCN1C(=O)/C(=C\c2ccsc2Cl)SC1=S ZINC000790100510 978798786 /nfs/dbraw/zinc/79/87/86/978798786.db2.gz DXOOSIZESCVASQ-SOFGYWHQSA-N -1 0 347.870 3.468 20 10 EGCDRM COc1ccc(N2CC[C@@H](CNc3nc(C(=O)[O-])c(C)s3)C2)cc1 ZINC000844212735 979369910 /nfs/dbraw/zinc/36/99/10/979369910.db2.gz NDXQSRYTRGTUBM-LBPRGKRZSA-N -1 0 347.440 3.097 20 10 EGCDRM Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000863738822 979675308 /nfs/dbraw/zinc/67/53/08/979675308.db2.gz FHSSYYCRZJFLOV-CMPLNLGQSA-N -1 0 342.233 3.006 20 10 EGCDRM CN(C[C@H]1CCC[C@H](C(F)(F)F)O1)c1ccc(OCC(=O)[O-])cc1 ZINC000903905105 981031078 /nfs/dbraw/zinc/03/10/78/981031078.db2.gz XAQFRYWNPJXZFU-ZIAGYGMSSA-N -1 0 347.333 3.086 20 10 EGCDRM CCNC(=O)c1ccc(C)c(N[C@@H](C)c2cc(C(=O)[O-])ccc2O)c1 ZINC001596480207 984212207 /nfs/dbraw/zinc/21/22/07/984212207.db2.gz YJIFKGFUGLKIMP-LBPRGKRZSA-N -1 0 342.395 3.322 20 10 EGCDRM CN(Cc1ccc(O)cc1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001598519079 992656556 /nfs/dbraw/zinc/65/65/56/992656556.db2.gz HJWHADAFFOUWLY-WEVVVXLNSA-N -1 0 328.324 3.035 20 10 EGCDRM CN1CCc2cc(C=Cc3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)ccc21 ZINC001598628120 994131370 /nfs/dbraw/zinc/13/13/70/994131370.db2.gz YCGWBCCLUNVLJW-XVNBXDOJSA-N -1 0 347.374 3.196 20 10 EGCDRM CC(C)[C@@H](N[C@@H](C)c1cc(C(=O)[O-])ccc1O)C(=O)OC(C)(C)C ZINC001593353099 994973270 /nfs/dbraw/zinc/97/32/70/994973270.db2.gz MUCRKUPEOLOYTB-XHDPSFHLSA-N -1 0 337.416 3.107 20 10 EGCDRM C[C@@H]1CC[C@](NC(=O)C2=CC(=O)CS2)(C(=O)[O-])c2ccccc21 ZINC001594321782 999238253 /nfs/dbraw/zinc/23/82/53/999238253.db2.gz GXLQLSSWORLSKV-BMLIUANNSA-N -1 0 331.393 3.061 20 10 EGCDRM CC(C)[C@H](Sc1ncc(C(=O)[O-])s1)C(=O)N1CCC[C@H](C)C1 ZINC001594379580 999432197 /nfs/dbraw/zinc/43/21/97/999432197.db2.gz VEDXUVATHHQZTQ-JQWIXIFHSA-N -1 0 342.486 3.217 20 10 EGCDRM COc1ccc(-n2c(C)cc(C(=O)NCCCCC(=O)[O-])c2C)cc1 ZINC000237304120 455171415 /nfs/dbraw/zinc/17/14/15/455171415.db2.gz SJJVDQGXARFRMC-UHFFFAOYSA-N -1 0 344.411 3.087 20 10 EGCDRM Cc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000267836930 455555992 /nfs/dbraw/zinc/55/59/92/455555992.db2.gz YYAAISFHFCVDQW-UHFFFAOYSA-N -1 0 333.409 3.215 20 10 EGCDRM [O-]c1c(Cl)cc(Cl)cc1CNc1ncn(CC(F)(F)F)n1 ZINC000195167415 455928413 /nfs/dbraw/zinc/92/84/13/455928413.db2.gz XXZTYHWPWXCWPN-UHFFFAOYSA-N -1 0 341.120 3.465 20 10 EGCDRM COc1cc(N(C)Cc2ccc(C(=O)[O-])cc2)cc(OC)c1OC ZINC000296878439 456059102 /nfs/dbraw/zinc/05/91/02/456059102.db2.gz MCBAYVSFVRZEIY-UHFFFAOYSA-N -1 0 331.368 3.047 20 10 EGCDRM [O-]c1c(Cl)cc(Cl)cc1CN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000377689483 458510560 /nfs/dbraw/zinc/51/05/60/458510560.db2.gz BYHNCBYFIBOZDF-KGLIPLIRSA-N -1 0 332.227 3.079 20 10 EGCDRM CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(Cl)ccc1[O-] ZINC000538775991 459374112 /nfs/dbraw/zinc/37/41/12/459374112.db2.gz WCEFKSGSVNEKOE-UHFFFAOYSA-N -1 0 332.787 3.151 20 10 EGCDRM CN(C)c1ccc(CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000737375054 576216592 /nfs/dbraw/zinc/21/65/92/576216592.db2.gz GCXCEHRRXQAYHZ-UHFFFAOYSA-N -1 0 341.411 3.092 20 10 EGCDRM O=C([O-])c1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)[nH]1 ZINC000833312872 601331425 /nfs/dbraw/zinc/33/14/25/601331425.db2.gz YQHGLPCCFJYMFW-WQLSENKSSA-N -1 0 330.390 3.119 20 10 EGCDRM Cc1cc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)c(C)n1-c1cccc(C)c1 ZINC000262889308 601657621 /nfs/dbraw/zinc/65/76/21/601657621.db2.gz ZZHPLCLYEHDLPF-LJQANCHMSA-N -1 0 344.386 3.041 20 10 EGCDRM Cc1nc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)sc1C ZINC000833001239 602042325 /nfs/dbraw/zinc/04/23/25/602042325.db2.gz RSBZMGIZJHHXMW-UHFFFAOYSA-N -1 0 340.832 3.206 20 10 EGCDRM CCN(CC)c1ccc(CNC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000829687101 604812713 /nfs/dbraw/zinc/81/27/13/604812713.db2.gz 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ZICPAEXSOQFTRZ-UHFFFAOYSA-N -1 0 336.731 3.288 20 10 EGCDRM COc1ccc(O)c(CNc2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC001599597949 993773068 /nfs/dbraw/zinc/77/30/68/993773068.db2.gz BRKGYMMLOWLYCX-UHFFFAOYSA-N -1 0 331.368 3.498 20 10 EGCDRM COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])s2)c1 ZINC001599598260 993778414 /nfs/dbraw/zinc/77/84/14/993778414.db2.gz JSZCXPXDBHGNNY-MRVPVSSYSA-N -1 0 336.369 3.043 20 10 EGCDRM C[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(N(C)C)cc1 ZINC001593117515 993815458 /nfs/dbraw/zinc/81/54/58/993815458.db2.gz NFOBIUYXDXGJRP-CYBMUJFWSA-N -1 0 341.411 3.262 20 10 EGCDRM COc1cccc(C(=O)[O-])c1N(C)C(=O)/C=C/c1ccc(Cl)nc1 ZINC001599645033 994413651 /nfs/dbraw/zinc/41/36/51/994413651.db2.gz GPPYCQKXDRECQR-VQHVLOKHSA-N -1 0 346.770 3.118 20 10 EGCDRM CC1(C)CC(CC(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)C1 ZINC001593849227 996623716 /nfs/dbraw/zinc/62/37/16/996623716.db2.gz JZWMSMMJSDXCIA-UHFFFAOYSA-N -1 0 339.819 3.285 20 10 EGCDRM C[C@@]1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCCC[C@H]1C(=O)[O-] ZINC001594055787 997789777 /nfs/dbraw/zinc/78/97/77/997789777.db2.gz IPONWMUIXNRFIH-DYZYQPBXSA-N -1 0 349.408 3.076 20 10 EGCDRM COc1cc(Cl)cc(CNc2ccc(C(=O)[O-])cc2OC)c1O ZINC001599375281 998475048 /nfs/dbraw/zinc/47/50/48/998475048.db2.gz RMXHVHZEBMBVIP-UHFFFAOYSA-N -1 0 337.759 3.373 20 10 EGCDRM O=C([O-])[C@H](Cc1ccc(F)cc1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000756384496 1126108399 /nfs/dbraw/zinc/10/83/99/1126108399.db2.gz PUZWTABWFDTBSA-ZDUSSCGKSA-N -1 0 341.741 3.109 20 10 EGCDRM O=C([O-])[C@@H](Cc1cc2ccccc2o1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC001608541930 1126237224 /nfs/dbraw/zinc/23/72/24/1126237224.db2.gz YBGYNXLTOZISJV-CQSZACIVSA-N -1 0 347.317 3.202 20 10 EGCDRM Cn1cnnc1[C@H]1CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093810021 454736747 /nfs/dbraw/zinc/73/67/47/454736747.db2.gz OTLNHTLHXNARPZ-GFCCVEGCSA-N -1 0 327.215 3.165 20 10 EGCDRM CC(C)c1nc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)no1 ZINC000109762077 454835618 /nfs/dbraw/zinc/83/56/18/454835618.db2.gz BTPYVSYEZQKFMY-HNNXBMFYSA-N -1 0 331.416 3.080 20 10 EGCDRM CCCCN(C)S(=O)(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000184539281 455398499 /nfs/dbraw/zinc/39/84/99/455398499.db2.gz APMUZNQMUWPPJE-UHFFFAOYSA-N -1 0 327.233 3.088 20 10 EGCDRM CCN(CC)C(=O)c1ccc(NCc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000195060745 455917290 /nfs/dbraw/zinc/91/72/90/455917290.db2.gz VOLKPMUHFQERJI-UHFFFAOYSA-N -1 0 343.383 3.395 20 10 EGCDRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC000262875468 456065047 /nfs/dbraw/zinc/06/50/47/456065047.db2.gz GKXIKESOXJSMRH-GUYCJALGSA-N -1 0 340.423 3.277 20 10 EGCDRM C[C@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000287504419 456071467 /nfs/dbraw/zinc/07/14/67/456071467.db2.gz YSFFVWQMSVRYNE-KBPBESRZSA-N -1 0 346.402 3.192 20 10 EGCDRM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000529392052 459828393 /nfs/dbraw/zinc/82/83/93/459828393.db2.gz MTYAXLIFJUZSFN-NMSKTSORSA-N -1 0 332.227 3.375 20 10 EGCDRM Cc1cc(F)ccc1/C=C1/SC(=S)N(CCCC(=O)[O-])C1=O ZINC000738396878 574631397 /nfs/dbraw/zinc/63/13/97/574631397.db2.gz NUUGRONIBJDTNJ-XYOKQWHBSA-N -1 0 339.413 3.200 20 10 EGCDRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cnc(-c2ccccc2)s1 ZINC000728697540 574767284 /nfs/dbraw/zinc/76/72/84/574767284.db2.gz RLLRDPDIVBUGSI-WJDWOHSUSA-N -1 0 347.399 3.272 20 10 EGCDRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1nc(-c2ccccc2)cs1 ZINC000728696702 574767286 /nfs/dbraw/zinc/76/72/86/574767286.db2.gz APKXEODKYVHGDV-RVDMUPIBSA-N -1 0 347.399 3.272 20 10 EGCDRM COCCN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C1CCCC1 ZINC000737807471 575006199 /nfs/dbraw/zinc/00/61/99/575006199.db2.gz GSSJIVPINLHKJB-CLFYSBASSA-N -1 0 334.372 3.088 20 10 EGCDRM O=C(NCc1ccnc(OCc2ccccc2)c1)C1=CC(=O)CS1 ZINC000731869230 575216723 /nfs/dbraw/zinc/21/67/23/575216723.db2.gz CRKNMEZSVVUQAN-UHFFFAOYSA-N -1 0 340.404 3.358 20 10 EGCDRM CC(=O)N(Cc1ccc(NC(=O)C2=CC(=O)CS2)cc1)C(C)C ZINC000735119253 575605758 /nfs/dbraw/zinc/60/57/58/575605758.db2.gz ZRYGQKYUCLIOKS-UHFFFAOYSA-N -1 0 332.425 3.463 20 10 EGCDRM CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(C(=O)[O-])ccc1O ZINC000737112275 576118935 /nfs/dbraw/zinc/11/89/35/576118935.db2.gz TXKYHDXYXNINFF-OAHLLOKOSA-N -1 0 346.770 3.330 20 10 EGCDRM CN(C)c1ccc(CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000737374943 576216593 /nfs/dbraw/zinc/21/65/93/576216593.db2.gz CYEGPKNKZLSMHK-UHFFFAOYSA-N -1 0 346.362 3.303 20 10 EGCDRM CN(CCCNC(=S)Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000737439296 576229337 /nfs/dbraw/zinc/22/93/37/576229337.db2.gz JYEWHNQKHHMVMW-UHFFFAOYSA-N -1 0 343.452 3.198 20 10 EGCDRM CC(=O)CSCC(=O)c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC000825814167 600900646 /nfs/dbraw/zinc/90/06/46/600900646.db2.gz YZVOCHMQEWIEKT-UHFFFAOYSA-N -1 0 345.420 3.297 20 10 EGCDRM C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CN(C)C(=O)[O-] ZINC000833547297 605282255 /nfs/dbraw/zinc/28/22/55/605282255.db2.gz AUBABPNBGICTAC-AWEZNQCLSA-N -1 0 342.395 3.092 20 10 EGCDRM C[C@H](CN(C)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1nccs1 ZINC000833516607 605386414 /nfs/dbraw/zinc/38/64/14/605386414.db2.gz RIYFHENKAFCODX-DUMNWFOQSA-N -1 0 347.396 3.389 20 10 EGCDRM COc1ccc(O)c([C@H](C)NC(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000183326472 1295112377 /nfs/dbraw/zinc/11/23/77/1295112377.db2.gz JANFNFQDNQWHAC-ZETCQYMHSA-N -1 0 341.285 3.015 20 10 EGCDRM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2F)c(C)c(C)c1O ZINC000187062335 1295365815 /nfs/dbraw/zinc/36/58/15/1295365815.db2.gz CPDUFTSRKOEKNZ-UHFFFAOYSA-N -1 0 327.352 3.396 20 10 EGCDRM Cc1c(NCc2ccc(N3CCOCC3)cc2)cccc1C(=O)[O-] ZINC000324188037 1297208089 /nfs/dbraw/zinc/20/80/89/1297208089.db2.gz JMPRLCRVPGGPQM-UHFFFAOYSA-N -1 0 326.396 3.142 20 10 EGCDRM C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])c2nccn21 ZINC000883135328 1302266450 /nfs/dbraw/zinc/26/64/50/1302266450.db2.gz BQUBODSHQANSAH-PELKAZGASA-N -1 0 340.196 3.286 20 10 EGCDRM CC1(C)CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C(C)(C)CO1 ZINC000769446059 1303114432 /nfs/dbraw/zinc/11/44/32/1303114432.db2.gz LLCLARSBFGYDHM-UHFFFAOYSA-N -1 0 328.796 3.343 20 10 EGCDRM Cc1noc([C@H](C)N(C)Cc2cc(Br)cc(F)c2[O-])n1 ZINC000895188991 1309230502 /nfs/dbraw/zinc/23/05/02/1309230502.db2.gz QPMQCYWWUVQZOB-ZETCQYMHSA-N -1 0 344.184 3.178 20 10 EGCDRM CC[C@@](NCc1cc(F)cc(F)c1[O-])(C(=O)OC)c1ccccc1 ZINC000895423182 1309331286 /nfs/dbraw/zinc/33/12/86/1309331286.db2.gz YKZLSWDBQOISPE-SFHVURJKSA-N -1 0 335.350 3.239 20 10 EGCDRM Cc1noc(C[C@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C2)n1 ZINC000897576630 1310389713 /nfs/dbraw/zinc/38/97/13/1310389713.db2.gz IBKMSHHXRANMIT-LLVKDONJSA-N -1 0 339.798 3.331 20 10 EGCDRM Cc1noc(C)c1CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000804986776 1317306213 /nfs/dbraw/zinc/30/62/13/1317306213.db2.gz QFFLZVKFCGETLK-UHFFFAOYSA-N -1 0 344.198 3.303 20 10 EGCDRM CC1(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CCOCC1 ZINC000805178290 1317323510 /nfs/dbraw/zinc/32/35/10/1317323510.db2.gz JEUCNOZJICMYCS-UHFFFAOYSA-N -1 0 347.242 3.315 20 10 EGCDRM C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])C1CCOCC1 ZINC000805205271 1317326330 /nfs/dbraw/zinc/32/63/30/1317326330.db2.gz VPRYOCBQVCZAGA-SECBINFHSA-N -1 0 347.242 3.313 20 10 EGCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cccc2c1OCO2 ZINC000807835983 1317589483 /nfs/dbraw/zinc/58/94/83/1317589483.db2.gz OIVPLIIJKNBRKL-UHFFFAOYSA-N -1 0 340.162 3.358 20 10 EGCDRM Cc1nc(CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])cs1 ZINC000807837912 1317590725 /nfs/dbraw/zinc/59/07/25/1317590725.db2.gz FVRDRIDPYFUEGX-UHFFFAOYSA-N -1 0 331.224 3.323 20 10 EGCDRM Cc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c(F)c1 ZINC000808115468 1317627260 /nfs/dbraw/zinc/62/72/60/1317627260.db2.gz FQRYKSXRSWCQOT-UHFFFAOYSA-N -1 0 333.743 3.433 20 10 EGCDRM CC1CCN(c2ccc(CNC(=O)C(C)(C)CCC(=O)[O-])cc2)CC1 ZINC000911350611 1318737965 /nfs/dbraw/zinc/73/79/65/1318737965.db2.gz IPHWDHNXFBMODK-UHFFFAOYSA-N -1 0 346.471 3.430 20 10 EGCDRM Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816520591 1319174774 /nfs/dbraw/zinc/17/47/74/1319174774.db2.gz SMMUGTVYVGGTSD-CQSZACIVSA-N -1 0 339.798 3.098 20 10 EGCDRM CCO[C@@H]1CCC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000836666250 1320518241 /nfs/dbraw/zinc/51/82/41/1320518241.db2.gz OLFPGFFZBXGMHT-CHWSQXEVSA-N -1 0 347.242 3.456 20 10 EGCDRM C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])C(=O)OC(C)(C)C ZINC000840460073 1321095264 /nfs/dbraw/zinc/09/52/64/1321095264.db2.gz LITDDVMNUYDTDN-MRVPVSSYSA-N -1 0 348.226 3.293 20 10 EGCDRM Cc1cc(O)c([C@@H]2NC(=O)[C@@H]3c4ccccc4CCN23)cc1Cl ZINC000849182769 1322094829 /nfs/dbraw/zinc/09/48/29/1322094829.db2.gz NBDKPZJZAZKFOT-DLBZAZTESA-N -1 0 328.799 3.082 20 10 EGCDRM Cc1noc(C(F)F)c1C(=O)[N-]c1c2nonc2ccc1Cl ZINC001323420361 1387367371 /nfs/dbraw/zinc/36/73/71/1387367371.db2.gz XMHJQMYSMQGNNU-UHFFFAOYSA-N -1 0 328.662 3.363 20 10 EGCDRM O=S(=O)(Cc1ccccc1C(F)(F)F)Nc1ccc(O)c(F)c1 ZINC001189529348 1367045689 /nfs/dbraw/zinc/04/56/89/1367045689.db2.gz CPXJVGVRXSIONW-UHFFFAOYSA-N -1 0 349.305 3.492 20 10 EGCDRM COc1ccc2cc(S(=O)(=O)[N-]c3cccc(O)c3O)ccc2c1 ZINC001191966732 1367651718 /nfs/dbraw/zinc/65/17/18/1367651718.db2.gz YBCFFYAOOCFMAA-UHFFFAOYSA-N -1 0 345.376 3.060 20 10 EGCDRM CC(C)OC(=O)Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001193486953 1368044097 /nfs/dbraw/zinc/04/40/97/1368044097.db2.gz QAUXEEKFTLFCCE-UHFFFAOYSA-N -1 0 325.320 3.125 20 10 EGCDRM N=C(NC(=O)c1cc(O)c([O-])c(Cl)c1)c1ccc2ccccc2n1 ZINC001193633766 1368080104 /nfs/dbraw/zinc/08/01/04/1368080104.db2.gz GFJJKWPXAGCCSN-UHFFFAOYSA-N -1 0 341.754 3.055 20 10 EGCDRM COc1cc(O)ccc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195317370 1368419961 /nfs/dbraw/zinc/41/99/61/1368419961.db2.gz XYNOWPXWKQZMCG-UHFFFAOYSA-N -1 0 327.789 3.163 20 10 EGCDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc(O)c(C)c1C ZINC001201760196 1369617789 /nfs/dbraw/zinc/61/77/89/1369617789.db2.gz FBIWBTLITAFQJY-UHFFFAOYSA-N -1 0 332.834 3.228 20 10 EGCDRM CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203574355 1370176027 /nfs/dbraw/zinc/17/60/27/1370176027.db2.gz UCQIRQRTOIUCSG-ZUZCIYMTSA-N -1 0 330.211 3.227 20 10 EGCDRM [O-]c1c(Cl)cc(Cl)cc1CN1C[C@H](CO)CC(F)(F)C1 ZINC001203574510 1370176115 /nfs/dbraw/zinc/17/61/15/1370176115.db2.gz 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EGCDRM CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000761996506 1301586085 /nfs/dbraw/zinc/58/60/85/1301586085.db2.gz WOLWZTGHTGYMIS-UHFFFAOYSA-N -1 0 325.361 3.119 20 10 EGCDRM O=C(NCc1cccc(Br)c1O)Nc1ccc(F)nc1 ZINC000765316948 1302244961 /nfs/dbraw/zinc/24/49/61/1302244961.db2.gz RYQSXCJKSQNYNS-UHFFFAOYSA-N -1 0 340.152 3.011 20 10 EGCDRM CC[C@](C)(NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)C(=O)[O-] ZINC000766963453 1302553079 /nfs/dbraw/zinc/55/30/79/1302553079.db2.gz DCXPHBDAJALWAI-IBGZPJMESA-N -1 0 328.412 3.386 20 10 EGCDRM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000775287291 1303934414 /nfs/dbraw/zinc/93/44/14/1303934414.db2.gz YEGBTWCHIOGCAR-UHFFFAOYSA-N -1 0 349.408 3.103 20 10 EGCDRM COC(=O)c1ccc2c(c1)CN(Cc1cc(Cl)cc(F)c1[O-])C2 ZINC000775685699 1304014585 /nfs/dbraw/zinc/01/45/85/1304014585.db2.gz UCUQMGUMLCLKAM-UHFFFAOYSA-N -1 0 335.762 3.487 20 10 EGCDRM C[C@H](N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1)C(F)(F)F ZINC000775735573 1304024482 /nfs/dbraw/zinc/02/44/82/1304024482.db2.gz 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Cc1ccc(S(=O)(=O)[N-]c2cccc(O)c2O)c2ccccc12 ZINC001193857636 1368132004 /nfs/dbraw/zinc/13/20/04/1368132004.db2.gz NNHHUDHDVFTMMD-UHFFFAOYSA-N -1 0 329.377 3.360 20 10 EGCDRM O=C([O-])c1ccc(NC(=S)NCc2ccc3ccccc3n2)cc1 ZINC001197127934 1368749516 /nfs/dbraw/zinc/74/95/16/1368749516.db2.gz FLFWOIFGPODPIQ-UHFFFAOYSA-N -1 0 337.404 3.420 20 10 EGCDRM Cc1cc([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)ccc1O ZINC001116489276 1370923639 /nfs/dbraw/zinc/92/36/39/1370923639.db2.gz NIKAZBYJVOASIX-UHFFFAOYSA-N -1 0 333.196 3.203 20 10 EGCDRM O=C1c2ccccc2-c2cccc([N-]S(=O)(=O)c3nccs3)c21 ZINC001187900009 1388186841 /nfs/dbraw/zinc/18/68/41/1388186841.db2.gz JEYXPFUUAHNOFC-UHFFFAOYSA-N -1 0 342.401 3.155 20 10 EGCDRM Cc1ccc(-c2noc(-c3cc4cc(O)c([O-])cc4oc3=O)n2)cc1 ZINC001217553739 1373462686 /nfs/dbraw/zinc/46/26/86/1373462686.db2.gz MZUCLKYJTBHZIB-UHFFFAOYSA-N -1 0 336.303 3.230 20 10 EGCDRM CCOC(=O)c1sc(C(=O)OCC)c(O[C@H]2CC[C@H](C)C2)c1[O-] ZINC001227493936 1375437970 /nfs/dbraw/zinc/43/79/70/1375437970.db2.gz 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