smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(OC[C@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 ZINC000218577948 205948652 /nfs/dbraw/zinc/94/86/52/205948652.db2.gz CSNZVYAGKBTMEW-ZDUSSCGKSA-N 0 0 392.477 2.572 40 70 GFIBRN COC(=O)c1cccc(Cn2cc([C@@H]3OCCN3c3cccc(OC)c3)nn2)c1 ZINC000216765496 570305932 /nfs/dbraw/zinc/30/59/32/570305932.db2.gz JEKKRIPFNKTTKJ-FQEVSTJZSA-N 0 0 394.431 2.657 40 70 GFIBRN COc1ccc2c(cc(C(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)n2C)c1 ZINC000217580997 570318391 /nfs/dbraw/zinc/31/83/91/570318391.db2.gz ZDLNIEWALKLUFB-GOEBONIOSA-N 0 0 377.444 2.608 40 70 GFIBRN CCOc1ccc(CCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 ZINC000218334948 570331465 /nfs/dbraw/zinc/33/14/65/570331465.db2.gz DTDDVBCMYKNXKE-UHFFFAOYSA-N 0 0 390.505 2.844 40 70 GFIBRN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(F)cc4)N4CCC[C@H]34)C2O)cc1 ZINC000217602359 205940312 /nfs/dbraw/zinc/94/03/12/205940312.db2.gz QGOXTTHFVIUWDE-YSTOQKLRSA-N 0 0 392.430 2.969 40 70 GFIBRN COc1ccc(C(=O)N2CCC[C@@H](c3nnc(-c4cnc(C)nc4)o3)C2)cc1 ZINC000216658432 570304025 /nfs/dbraw/zinc/30/40/25/570304025.db2.gz QBXURENFXQXIMB-OAHLLOKOSA-N 0 0 379.420 2.863 40 70 GFIBRN COCCN1C(=O)CS[C@H]1c1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000216687839 570304343 /nfs/dbraw/zinc/30/43/43/570304343.db2.gz TXNGVVHBTSRMON-HNNXBMFYSA-N 0 0 386.399 2.566 40 70 GFIBRN Cc1nc(-n2cccc2)sc1C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000218004155 570323705 /nfs/dbraw/zinc/32/37/05/570323705.db2.gz MJYPFCWYKJDWDS-LSDHHAIUSA-N 0 0 380.473 2.663 40 70 GFIBRN COCCn1c(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc2ccccc21 ZINC000218086507 570324943 /nfs/dbraw/zinc/32/49/43/570324943.db2.gz HAHATPNJDIZZQU-FUHWJXTLSA-N 0 0 391.471 2.709 40 70 GFIBRN Cc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000218356566 570332346 /nfs/dbraw/zinc/33/23/46/570332346.db2.gz CKRGPYMFHXTWRV-QGZVFWFLSA-N 0 0 390.505 2.653 40 70 GFIBRN CCS(=O)(=O)Nc1ccc(C(=O)NCCCc2ccccc2OC)cc1 ZINC000218639039 570338325 /nfs/dbraw/zinc/33/83/25/570338325.db2.gz PPQFMABAGMUNAW-UHFFFAOYSA-N 0 0 376.478 2.819 40 70 GFIBRN Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O ZINC000218287091 205947792 /nfs/dbraw/zinc/94/77/92/205947792.db2.gz FKHVLHWXGBHMQF-IAGOWNOFSA-N 0 0 390.505 2.733 40 70 GFIBRN COC[C@@]1(C(N)=S)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218479998 553053867 /nfs/dbraw/zinc/05/38/67/553053867.db2.gz SJBRWGDXJVFINB-ZIFCJYIRSA-N 0 0 375.515 2.854 40 70 GFIBRN COC[C@@]1(C(N)=S)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218480138 553054078 /nfs/dbraw/zinc/05/40/78/553054078.db2.gz SJBRWGDXJVFINB-JENIJYKNSA-N 0 0 375.515 2.854 40 70 GFIBRN CCOc1ccc(CCCNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000218567219 570337176 /nfs/dbraw/zinc/33/71/76/570337176.db2.gz OTQFQKUVVAFHML-UHFFFAOYSA-N 0 0 376.478 2.819 40 70 GFIBRN COc1ccc(-c2noc(CNC(=O)c3cc(OC)cc(OC)c3)n2)c(OC)c1 ZINC000218176853 205946357 /nfs/dbraw/zinc/94/63/57/205946357.db2.gz ICWSCRACHYWROA-UHFFFAOYSA-N 0 0 399.403 2.701 40 70 GFIBRN COC(=O)c1ccc(Cn2cc([C@@H]3OCCN3c3cccc(OC)c3)nn2)cc1 ZINC000216765598 570305864 /nfs/dbraw/zinc/30/58/64/570305864.db2.gz BPEMDNLYSSFWRP-FQEVSTJZSA-N 0 0 394.431 2.657 40 70 GFIBRN COc1ccc2c(ccn2CCC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c1 ZINC000218076467 205943297 /nfs/dbraw/zinc/94/32/97/205943297.db2.gz ATYNXEAKUCUIIG-FUHWJXTLSA-N 0 0 391.471 2.848 40 70 GFIBRN COc1ccc2[nH]c3c(ncnc3N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)c2c1 ZINC000217464995 136203383 /nfs/dbraw/zinc/20/33/83/136203383.db2.gz LBXOVHSMBNPCRC-UONOGXRCSA-N 0 0 387.443 2.905 40 70 GFIBRN COC[C@@]1(C(N)=S)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218605920 553053996 /nfs/dbraw/zinc/05/39/96/553053996.db2.gz BHZVPGZYJAABEH-XYJFISCASA-N 0 0 379.478 2.684 40 70 GFIBRN COc1ccc(OCC(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)cc1 ZINC000217842863 570322081 /nfs/dbraw/zinc/32/20/81/570322081.db2.gz QIDJPTAMUWCTQY-UHFFFAOYSA-N 0 0 383.404 2.791 40 70 GFIBRN Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O ZINC000218287268 570330024 /nfs/dbraw/zinc/33/00/24/570330024.db2.gz FKHVLHWXGBHMQF-IRXDYDNUSA-N 0 0 390.505 2.733 40 70 GFIBRN COc1ccc(-c2noc(CN(C)C(=O)[C@@H]3COc4ccccc4O3)n2)cc1 ZINC000218302030 205947001 /nfs/dbraw/zinc/94/70/01/205947001.db2.gz VRGICGPAQOFSCN-KRWDZBQOSA-N 0 0 381.388 2.544 40 70 GFIBRN COc1ccc(OC[C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1 ZINC000218595158 205949620 /nfs/dbraw/zinc/94/96/20/205949620.db2.gz SJFCESUSIXOEBO-CQSZACIVSA-N 0 0 392.477 2.572 40 70 GFIBRN COC[C@]1(C(N)=S)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218605845 553054038 /nfs/dbraw/zinc/05/40/38/553054038.db2.gz BHZVPGZYJAABEH-BQFCYCMXSA-N 0 0 379.478 2.684 40 70 GFIBRN COCCN1C(=O)CS[C@@H]1c1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000216687802 570304360 /nfs/dbraw/zinc/30/43/60/570304360.db2.gz TXNGVVHBTSRMON-OAHLLOKOSA-N 0 0 386.399 2.566 40 70 GFIBRN COC(=O)c1ccc(Cn2cc([C@H]3OCCN3c3ccccc3OC)nn2)cc1 ZINC000216763769 570305581 /nfs/dbraw/zinc/30/55/81/570305581.db2.gz NALMSIJRFIPZAY-HXUWFJFHSA-N 0 0 394.431 2.657 40 70 GFIBRN COC(=O)c1ccc(Cn2cc([C@@H]3OCCN3Cc3ccc(C)cc3)nn2)cc1 ZINC000216775037 570306361 /nfs/dbraw/zinc/30/63/61/570306361.db2.gz RYHFFNASDIMVAI-NRFANRHFSA-N 0 0 392.459 2.952 40 70 GFIBRN O=C(NCc1nc(-c2cccs2)no1)c1ccc(CN2CCOCC2)cc1 ZINC000218077004 570324911 /nfs/dbraw/zinc/32/49/11/570324911.db2.gz LUZHDUTZWQWIQR-UHFFFAOYSA-N 0 0 384.461 2.560 40 70 GFIBRN COc1ccc(CCCNC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 ZINC000218577779 570337009 /nfs/dbraw/zinc/33/70/09/570337009.db2.gz KEJZODGMTFPXAK-UHFFFAOYSA-N 0 0 376.478 2.738 40 70 GFIBRN CCS(=O)(=O)Nc1ccc(C(=O)NCCCc2cccc(OC)c2)cc1 ZINC000218639136 570338121 /nfs/dbraw/zinc/33/81/21/570338121.db2.gz YFYCDNZNJXIGRJ-UHFFFAOYSA-N 0 0 376.478 2.819 40 70 GFIBRN COC(=O)c1cccc(Cn2cc([C@H]3OCCN3c3ccc(C)cc3)nn2)c1 ZINC000216761871 570305571 /nfs/dbraw/zinc/30/55/71/570305571.db2.gz HVBDWMHMNSOCMJ-HXUWFJFHSA-N 0 0 378.432 2.957 40 70 GFIBRN COc1ccc2c(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)cc(=O)oc2c1 ZINC000217565676 570318018 /nfs/dbraw/zinc/31/80/18/570318018.db2.gz HQXUKSDVAQHLDV-GOEBONIOSA-N 0 0 378.428 2.583 40 70 GFIBRN CCOc1ccc(CNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1OCC ZINC000218566125 570336528 /nfs/dbraw/zinc/33/65/28/570336528.db2.gz HZOPPOWZYKYPHF-UHFFFAOYSA-N 0 0 392.477 2.786 40 70 GFIBRN COC(=O)c1cccc(Cn2cc([C@H]3OCCN3Cc3ccc(C)cc3)nn2)c1 ZINC000216774964 570306390 /nfs/dbraw/zinc/30/63/90/570306390.db2.gz IAXBYDGOHUJQNN-OAQYLSRUSA-N 0 0 392.459 2.952 40 70 GFIBRN CCS(=O)(=O)N(C)c1ccc(C(=O)NCCCc2ccc(F)cc2)cc1 ZINC000218439602 570334025 /nfs/dbraw/zinc/33/40/25/570334025.db2.gz WZJGBUBVNBWQBB-UHFFFAOYSA-N 0 0 378.469 2.974 40 70 GFIBRN COc1cccc(CCCNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)c1 ZINC000218594934 208837909 /nfs/dbraw/zinc/83/79/09/208837909.db2.gz ORGXVKVOBGMJOE-UHFFFAOYSA-N 0 0 376.478 2.738 40 70 GFIBRN O=C(c1cccc(C(F)(F)F)c1)N1CCc2cnc(N3CCOCC3)nc2C1 ZINC000217619848 136203329 /nfs/dbraw/zinc/20/33/29/136203329.db2.gz NHWCNVKUGPEZGN-UHFFFAOYSA-N 0 0 392.381 2.531 40 70 GFIBRN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(F)cc4)N4CCC[C@H]34)C2O)cc1 ZINC000217602204 570319033 /nfs/dbraw/zinc/31/90/33/570319033.db2.gz QGOXTTHFVIUWDE-UAFMIMERSA-N 0 0 392.430 2.969 40 70 GFIBRN COc1ccc(N(CC(=O)Nc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 ZINC000218255422 570329219 /nfs/dbraw/zinc/32/92/19/570329219.db2.gz BOPFOUOFGIGGNT-UHFFFAOYSA-N 0 0 392.477 2.887 40 70 GFIBRN Cc1ccccc1OC[C@H](C)NC(=O)c1cccc(NS(C)(=O)=O)c1C ZINC000218579180 570337173 /nfs/dbraw/zinc/33/71/73/570337173.db2.gz XXGCYJGCHBJGOG-AWEZNQCLSA-N 0 0 376.478 2.872 40 70 GFIBRN CCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)COc2ccc(C)cc2)cc1 ZINC000218640995 570338165 /nfs/dbraw/zinc/33/81/65/570338165.db2.gz HSFLGOCUOPARHG-OAHLLOKOSA-N 0 0 376.478 2.954 40 70 GFIBRN Cc1ccc(OCCNC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000218356640 570332538 /nfs/dbraw/zinc/33/25/38/570332538.db2.gz CKRGPYMFHXTWRV-KRWDZBQOSA-N 0 0 390.505 2.653 40 70 GFIBRN COc1ccc(CN(C)C(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000218445990 208835977 /nfs/dbraw/zinc/83/59/77/208835977.db2.gz DFLDHISBELZTCK-CQSZACIVSA-N 0 0 394.468 2.647 40 70 GFIBRN CS(=O)(=O)Nc1ccc(C(=O)NCCCN2CCCc3ccccc32)cc1 ZINC000218406124 136203645 /nfs/dbraw/zinc/20/36/45/136203645.db2.gz LZKCODQQJLOWGJ-UHFFFAOYSA-N 0 0 387.505 2.631 40 70 GFIBRN Cc1nnn([C@@]23C[C@@H]4C[C@@H](C[C@@](C(=O)Nc5ccc6c(c5)OCO6)(C4)C2)C3)n1 ZINC000217555621 208828800 /nfs/dbraw/zinc/82/88/00/208828800.db2.gz NJJMRSHUKAXXAS-GOFCXKROSA-N 0 0 381.436 2.644 40 70 GFIBRN CCOC(=O)c1ccc(Nc2cc(N3CCN(C)CC3)nc(SC)n2)cc1 ZINC000216852497 136203142 /nfs/dbraw/zinc/20/31/42/136203142.db2.gz OGYHNGMPRVWWQM-UHFFFAOYSA-N 0 0 387.509 2.871 40 70 GFIBRN COC(=O)c1cccc(Cn2cc([C@H]3OCCN3c3cccc(OC)c3)nn2)c1 ZINC000216765536 570305977 /nfs/dbraw/zinc/30/59/77/570305977.db2.gz JEKKRIPFNKTTKJ-HXUWFJFHSA-N 0 0 394.431 2.657 40 70 GFIBRN COc1ccc2oc(=O)cc(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c2c1 ZINC000217563423 570318276 /nfs/dbraw/zinc/31/82/76/570318276.db2.gz DHWIYPVIRPQSNX-GOEBONIOSA-N 0 0 378.428 2.583 40 70 GFIBRN CC[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc(OC)c(OC)c1 ZINC000218568925 570337068 /nfs/dbraw/zinc/33/70/68/570337068.db2.gz UASAIMJWTCKNGP-INIZCTEOSA-N 0 0 392.477 2.956 40 70 GFIBRN CC[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C)cc1C ZINC000218328710 208836715 /nfs/dbraw/zinc/83/67/15/208836715.db2.gz PXFZXEVTXSNHGR-QGZVFWFLSA-N 0 0 386.473 2.715 40 70 GFIBRN O=C(/C=C/c1ccccc1Cl)N1CCc2cnc(N3CCOCC3)nc2C1 ZINC000217622157 136203472 /nfs/dbraw/zinc/20/34/72/136203472.db2.gz BFMSNMZHWIFWRH-AATRIKPKSA-N 0 0 384.867 2.565 40 70 GFIBRN COCCn1ccc2ccc(C(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)cc21 ZINC000218043062 570324381 /nfs/dbraw/zinc/32/43/81/570324381.db2.gz BMAYHEAWGFJRBB-QFBILLFUSA-N 0 0 391.471 2.709 40 70 GFIBRN C[C@H](C(=O)NCCCc1ccc(F)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000218284658 570329730 /nfs/dbraw/zinc/32/97/30/570329730.db2.gz YTBKATNKQBDWLF-OAHLLOKOSA-N 0 0 378.469 2.729 40 70 GFIBRN C[C@@H](C(=O)NCCCc1ccc(F)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000218284598 570329794 /nfs/dbraw/zinc/32/97/94/570329794.db2.gz YTBKATNKQBDWLF-HNNXBMFYSA-N 0 0 378.469 2.729 40 70 GFIBRN Cc1ccccc1OC[C@@H](C)NC(=O)c1cccc(NS(C)(=O)=O)c1C ZINC000218579108 570336904 /nfs/dbraw/zinc/33/69/04/570336904.db2.gz XXGCYJGCHBJGOG-CQSZACIVSA-N 0 0 376.478 2.872 40 70 GFIBRN Cc1ccc(OC[C@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 ZINC000218579346 570337115 /nfs/dbraw/zinc/33/71/15/570337115.db2.gz PAVHLGSTZUSEPF-AWEZNQCLSA-N 0 0 376.478 2.872 40 70 GFIBRN CS(=O)(=O)N1CCC[C@@H](c2nc(-c3ccccc3Br)no2)C1 ZINC000216671661 553052894 /nfs/dbraw/zinc/05/28/94/553052894.db2.gz FMUYTZIUNYTOIS-SNVBAGLBSA-N 0 0 386.271 2.638 40 70 GFIBRN Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 ZINC000218335265 208836984 /nfs/dbraw/zinc/83/69/84/208836984.db2.gz OJSJKZVPNAEUIR-OAHLLOKOSA-N 0 0 376.478 2.588 40 70 GFIBRN COc1ccc(C(=O)N2CCC[C@H](c3nnc(-c4cncnc4C)o3)C2)cc1 ZINC000216661143 570304034 /nfs/dbraw/zinc/30/40/34/570304034.db2.gz WESPSPMLTPWVKN-HNNXBMFYSA-N 0 0 379.420 2.863 40 70 GFIBRN C[C@H](CCc1ccccc1)NC(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000218262237 570328995 /nfs/dbraw/zinc/32/89/95/570328995.db2.gz MAPINBAXUKIBKK-OAHLLOKOSA-N 0 0 378.469 2.729 40 70 GFIBRN Cc1cc(C(=O)NCCCN(C)c2ccccc2)ccc1NS(C)(=O)=O ZINC000218601007 570337275 /nfs/dbraw/zinc/33/72/75/570337275.db2.gz SYJKWAYSMUWIGS-UHFFFAOYSA-N 0 0 375.494 2.623 40 70 GFIBRN CC[C@@H](NC(=O)c1cc(OC)cc(OC)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000218176649 211757593 /nfs/dbraw/zinc/75/75/93/211757593.db2.gz BFUCEXGCPZZIGB-GOSISDBHSA-N 0 0 377.462 2.988 40 70 GFIBRN COC(=O)c1ccc(Cn2cc([C@H]3OCCN3Cc3ccc(C)cc3)nn2)cc1 ZINC000216775081 211745512 /nfs/dbraw/zinc/74/55/12/211745512.db2.gz RYHFFNASDIMVAI-OAQYLSRUSA-N 0 0 392.459 2.952 40 70 GFIBRN CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000218426462 533377482 /nfs/dbraw/zinc/37/74/82/533377482.db2.gz AUXAVUHLMCZONV-UHFFFAOYSA-N 0 0 396.852 2.516 40 70 GFIBRN COC(=O)c1ccc(Cn2cc([C@H]3OCCN3c3cccc(OC)c3)nn2)cc1 ZINC000216765647 570305935 /nfs/dbraw/zinc/30/59/35/570305935.db2.gz BPEMDNLYSSFWRP-HXUWFJFHSA-N 0 0 394.431 2.657 40 70 GFIBRN COC(=O)c1ccc(Cn2cc([C@H]3OCCN3Cc3ccccc3)nn2)cc1 ZINC000216773177 570305985 /nfs/dbraw/zinc/30/59/85/570305985.db2.gz IQIDPWRLYHRTCX-HXUWFJFHSA-N 0 0 378.432 2.644 40 70 GFIBRN COc1ccc(OC)c2[nH]c(C(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)cc21 ZINC000217572754 570318645 /nfs/dbraw/zinc/31/86/45/570318645.db2.gz COQDMXGPZATTNT-UONOGXRCSA-N 0 0 393.443 2.606 40 70 GFIBRN COC(=O)c1ccc(Cn2cc([C@H]3OCCN3c3ccc(C)cc3)nn2)cc1 ZINC000216761977 211745130 /nfs/dbraw/zinc/74/51/30/211745130.db2.gz NKTVOVDZQGLTSF-HXUWFJFHSA-N 0 0 378.432 2.957 40 70 GFIBRN O=C(Cc1csc(-c2ccccn2)n1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000218108721 570325346 /nfs/dbraw/zinc/32/53/46/570325346.db2.gz MUAXFWFUSJTONX-LSDHHAIUSA-N 0 0 392.484 2.555 40 70 GFIBRN CCOC[C@@]1(C(N)=S)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218042108 553053453 /nfs/dbraw/zinc/05/34/53/553053453.db2.gz OKCMYJZCYPWJIY-JENIJYKNSA-N 0 0 375.515 2.935 40 70 GFIBRN CC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(OC)c(OC)c1 ZINC000218403840 570333765 /nfs/dbraw/zinc/33/37/65/570333765.db2.gz LLTCMDNKWMQXRQ-INIZCTEOSA-N 0 0 392.477 2.956 40 70 GFIBRN CCS(=O)(=O)N(C)c1ccc(C(=O)NCCCc2ccccc2OC)cc1 ZINC000218439705 570334256 /nfs/dbraw/zinc/33/42/56/570334256.db2.gz GLDNPIPGLYUGIR-UHFFFAOYSA-N 0 0 390.505 2.844 40 70 GFIBRN CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@@H](C)COc2ccc(C)cc2)cc1 ZINC000218441684 570334457 /nfs/dbraw/zinc/33/44/57/570334457.db2.gz KBQWBBMHIHFVPV-INIZCTEOSA-N 0 0 390.505 2.978 40 70 GFIBRN COC(=O)c1ccc(Cn2cc([C@@H]3OCCN3c3ccccc3OC)nn2)cc1 ZINC000216763730 211743991 /nfs/dbraw/zinc/74/39/91/211743991.db2.gz NALMSIJRFIPZAY-FQEVSTJZSA-N 0 0 394.431 2.657 40 70 GFIBRN CC[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C)cc1C ZINC000218328784 570331628 /nfs/dbraw/zinc/33/16/28/570331628.db2.gz PXFZXEVTXSNHGR-KRWDZBQOSA-N 0 0 386.473 2.715 40 70 GFIBRN COc1ccccc1CCCNC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 ZINC000218594834 570337471 /nfs/dbraw/zinc/33/74/71/570337471.db2.gz YFCHVEZSBBXVFE-UHFFFAOYSA-N 0 0 376.478 2.738 40 70 GFIBRN O=C(C1=C2C(O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCCN12)c1ccc(F)cc1 ZINC000217597460 570318793 /nfs/dbraw/zinc/31/87/93/570318793.db2.gz GJIOGOHEZHMFOV-AKHDSKFASA-N 0 0 396.393 2.800 40 70 GFIBRN CC(C)NC(=O)c1ccccc1NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217938577 570322731 /nfs/dbraw/zinc/32/27/31/570322731.db2.gz DDJJFPBSYIYHQG-JKSUJKDBSA-N 0 0 394.475 2.638 40 70 GFIBRN CCOc1ccc(CCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000218401684 570333276 /nfs/dbraw/zinc/33/32/76/570333276.db2.gz ZELLSVMFWFEHJD-UHFFFAOYSA-N 0 0 376.478 2.819 40 70 GFIBRN CC[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc(OC)c(OC)c1 ZINC000218568851 570337083 /nfs/dbraw/zinc/33/70/83/570337083.db2.gz UASAIMJWTCKNGP-MRXNPFEDSA-N 0 0 392.477 2.956 40 70 GFIBRN O=C(Cc1cccc2ccccc21)N1CCc2cnc(N3CCOCC3)nc2C1 ZINC000217623273 136203436 /nfs/dbraw/zinc/20/34/36/136203436.db2.gz IQMJYNDAKOCUPM-UHFFFAOYSA-N 0 0 388.471 2.594 40 70 GFIBRN COC[C@@]1(C(N)=S)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218053333 553053241 /nfs/dbraw/zinc/05/32/41/553053241.db2.gz NJKCGWPFHISCLX-ZIFCJYIRSA-N 0 0 375.515 2.854 40 70 GFIBRN COc1ccc(-c2noc(CN(C)C(=O)[C@H]3COc4ccccc4O3)n2)cc1 ZINC000218302054 570330710 /nfs/dbraw/zinc/33/07/10/570330710.db2.gz VRGICGPAQOFSCN-QGZVFWFLSA-N 0 0 381.388 2.544 40 70 GFIBRN C[C@@H](C(=O)NCCCc1ccc(F)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218457187 570334753 /nfs/dbraw/zinc/33/47/53/570334753.db2.gz YBOUMTABZUDTST-AWEZNQCLSA-N 0 0 396.459 2.868 40 70 GFIBRN COc1ccc(OC[C@@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 ZINC000218577887 570337145 /nfs/dbraw/zinc/33/71/45/570337145.db2.gz CSNZVYAGKBTMEW-CYBMUJFWSA-N 0 0 392.477 2.572 40 70 GFIBRN COC(=O)c1cccc(Cn2cc([C@@H]3OCCN3c3cccc(C)c3)nn2)c1 ZINC000216759926 211744664 /nfs/dbraw/zinc/74/46/64/211744664.db2.gz MZQFMGWYSDFOKR-FQEVSTJZSA-N 0 0 378.432 2.957 40 70 GFIBRN COC(=O)c1cccc(Cn2cc([C@H]3OCCN3Cc3cccc(C)c3)nn2)c1 ZINC000216776853 570306301 /nfs/dbraw/zinc/30/63/01/570306301.db2.gz SURWJKSQNZGKCV-OAQYLSRUSA-N 0 0 392.459 2.952 40 70 GFIBRN Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O ZINC000218287144 222586728 /nfs/dbraw/zinc/58/67/28/222586728.db2.gz FKHVLHWXGBHMQF-DLBZAZTESA-N 0 0 390.505 2.733 40 70 GFIBRN CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000218426559 533376473 /nfs/dbraw/zinc/37/64/73/533376473.db2.gz CRBRGDWJMHVLAP-UHFFFAOYSA-N 0 0 396.852 2.516 40 70 GFIBRN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)N[C@@H](C)CCCC(C)C)[C@H]4C2=O)no1 ZINC000217713134 570320616 /nfs/dbraw/zinc/32/06/16/570320616.db2.gz XCLJIXXMLYMVTE-STUVATENSA-N 0 0 387.480 2.600 40 70 GFIBRN CS(=O)(=O)N1CCC[C@H](c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000216671826 222578038 /nfs/dbraw/zinc/57/80/38/222578038.db2.gz UNRVCQGRHBCHIJ-NSHDSACASA-N 0 0 386.271 2.638 40 70 GFIBRN COc1cccc2ccn(CCC(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)c21 ZINC000218091651 212113323 /nfs/dbraw/zinc/11/33/23/212113323.db2.gz KZHWIBBWFKDEHM-FUHWJXTLSA-N 0 0 391.471 2.848 40 70 GFIBRN CS(=O)(=O)Nc1cccc(C(=O)NCCCN2CCCc3ccccc32)c1 ZINC000218571483 136203863 /nfs/dbraw/zinc/20/38/63/136203863.db2.gz ZUILIHQMINBBQC-UHFFFAOYSA-N 0 0 387.505 2.631 40 70 GFIBRN C[C@@H](CCc1ccccc1)NC(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000218262187 518177257 /nfs/dbraw/zinc/17/72/57/518177257.db2.gz MAPINBAXUKIBKK-HNNXBMFYSA-N 0 0 378.469 2.729 40 70 GFIBRN COc1ccc(CN2CCO[C@H]2c2cn(Cc3cccc(OC)c3)nn2)cc1 ZINC000216779011 570306245 /nfs/dbraw/zinc/30/62/45/570306245.db2.gz AQZXXHRYTMMDJC-NRFANRHFSA-N 0 0 380.448 2.875 40 70 GFIBRN COc1cccc(CCCNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1 ZINC000218284854 570329882 /nfs/dbraw/zinc/32/98/82/570329882.db2.gz UUXGFIZCMHVQBJ-MRXNPFEDSA-N 0 0 390.505 2.599 40 70 GFIBRN CCS(=O)(=O)N(C)c1ccc(C(=O)NCCCc2ccc(OC)cc2)cc1 ZINC000218439923 570334043 /nfs/dbraw/zinc/33/40/43/570334043.db2.gz VEGQUSSIOQURNV-UHFFFAOYSA-N 0 0 390.505 2.844 40 70 GFIBRN Cc1ccc([C@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1C ZINC000218419791 570334184 /nfs/dbraw/zinc/33/41/84/570334184.db2.gz CCIMSYHEVVOWFX-KRWDZBQOSA-N 0 0 389.521 2.794 40 70 GFIBRN COC[C@]1(C(N)=S)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218605679 553053957 /nfs/dbraw/zinc/05/39/57/553053957.db2.gz BHZVPGZYJAABEH-RYRKJORJSA-N 0 0 379.478 2.684 40 70 GFIBRN COc1ccc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1OC ZINC000218127399 570325571 /nfs/dbraw/zinc/32/55/71/570325571.db2.gz IGLSCRSHWWZRCJ-UHFFFAOYSA-N 0 0 391.420 2.668 40 70 GFIBRN COc1ccc(OC[C@H](C)NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 ZINC000218586960 570336994 /nfs/dbraw/zinc/33/69/94/570336994.db2.gz XERKUJPYLOJYFW-AWEZNQCLSA-N 0 0 392.477 2.572 40 70 GFIBRN CN1CCN(c2cc(Nc3ccc(I)cc3)ncn2)CC1 ZINC000216846705 136203194 /nfs/dbraw/zinc/20/31/94/136203194.db2.gz RDJOIFKOOJDMDX-UHFFFAOYSA-N 0 0 395.248 2.577 40 70 GFIBRN COC[C@]1(C(N)=S)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218053261 553053341 /nfs/dbraw/zinc/05/33/41/553053341.db2.gz NJKCGWPFHISCLX-AOIWGVFYSA-N 0 0 375.515 2.854 40 70 GFIBRN COc1cccc(CCCNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1 ZINC000218284888 570329818 /nfs/dbraw/zinc/32/98/18/570329818.db2.gz UUXGFIZCMHVQBJ-INIZCTEOSA-N 0 0 390.505 2.599 40 70 GFIBRN Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 ZINC000218596725 570337361 /nfs/dbraw/zinc/33/73/61/570337361.db2.gz DFBZRNOSYATPBE-HNNXBMFYSA-N 0 0 376.478 2.872 40 70 GFIBRN COC(=O)c1ccc(Cn2cc([C@@H]3OCCN3c3cccc(C)c3)nn2)cc1 ZINC000216760049 570305653 /nfs/dbraw/zinc/30/56/53/570305653.db2.gz RVBXPLNKJCJMQR-FQEVSTJZSA-N 0 0 378.432 2.957 40 70 GFIBRN COC(=O)c1ccc(Cn2cc([C@@H]3OCCN3Cc3ccccc3)nn2)cc1 ZINC000216773136 570305991 /nfs/dbraw/zinc/30/59/91/570305991.db2.gz IQIDPWRLYHRTCX-FQEVSTJZSA-N 0 0 378.432 2.644 40 70 GFIBRN Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1 ZINC000218596843 570337375 /nfs/dbraw/zinc/33/73/75/570337375.db2.gz POASUGYZARGDND-OAHLLOKOSA-N 0 0 376.478 2.872 40 70 GFIBRN CS(=O)(=O)N(CC(=O)Nc1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC000218426355 533379005 /nfs/dbraw/zinc/37/90/05/533379005.db2.gz VQABWJKPWWUVFZ-UHFFFAOYSA-N 0 0 396.852 2.516 40 70 GFIBRN CC[C@H](NC(=O)c1ccc(OC)c(OC)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000217881424 570322430 /nfs/dbraw/zinc/32/24/30/570322430.db2.gz AZFOTKXJRQBTFH-INIZCTEOSA-N 0 0 377.462 2.988 40 70 GFIBRN COc1ccc(-c2noc(CNC(=O)/C=C/c3ccc4c(c3)OCO4)n2)cc1 ZINC000217932059 570322764 /nfs/dbraw/zinc/32/27/64/570322764.db2.gz RASXILMIZHZCGW-YCRREMRBSA-N 0 0 379.372 2.804 40 70 GFIBRN COC[C@]1(C(N)=S)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218599179 570931520 /nfs/dbraw/zinc/93/15/20/570931520.db2.gz OZMAUZVDXVMFMQ-LNLFQRSKSA-N 0 0 393.505 2.993 40 70 GFIBRN COC(=O)c1ccc(Cn2cc([C@H]3OCCN3Cc3cccc(C)c3)nn2)cc1 ZINC000216776966 222577650 /nfs/dbraw/zinc/57/76/50/222577650.db2.gz YQSOKEIXRNJYSG-OAQYLSRUSA-N 0 0 392.459 2.952 40 70 GFIBRN COC(=O)c1ccc(Cn2cc([C@H]3OCCN3c3cccc(C)c3)nn2)cc1 ZINC000216760089 222577969 /nfs/dbraw/zinc/57/79/69/222577969.db2.gz RVBXPLNKJCJMQR-HXUWFJFHSA-N 0 0 378.432 2.957 40 70 GFIBRN CC[C@@H](NC(=O)COc1ccc(OC)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000217842259 222582844 /nfs/dbraw/zinc/58/28/44/222582844.db2.gz HDTCMRSRYGFIOM-GOSISDBHSA-N 0 0 377.462 2.745 40 70 GFIBRN Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000218287423 222587795 /nfs/dbraw/zinc/58/77/95/222587795.db2.gz WMOQGHIIDYIPBH-DLBZAZTESA-N 0 0 390.505 2.733 40 70 GFIBRN Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 ZINC000218596634 222589560 /nfs/dbraw/zinc/58/95/60/222589560.db2.gz DFBZRNOSYATPBE-OAHLLOKOSA-N 0 0 376.478 2.872 40 70 GFIBRN COC(=O)c1ccc(Cn2cc([C@@H]3OCCN3c3ccc(F)cc3)nn2)cc1 ZINC000216771268 570305871 /nfs/dbraw/zinc/30/58/71/570305871.db2.gz ZRPTWQLBPXPJHY-IBGZPJMESA-N 0 0 382.395 2.788 40 70 GFIBRN CC[C@H](NC(=O)COc1ccc(OC)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000217842325 570322057 /nfs/dbraw/zinc/32/20/57/570322057.db2.gz HDTCMRSRYGFIOM-SFHVURJKSA-N 0 0 377.462 2.745 40 70 GFIBRN COc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O ZINC000218284739 570329770 /nfs/dbraw/zinc/32/97/70/570329770.db2.gz JQYNDHHCVQGZMH-MRXNPFEDSA-N 0 0 390.505 2.599 40 70 GFIBRN CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@H](C)COc2ccccc2C)cc1 ZINC000218441580 570334569 /nfs/dbraw/zinc/33/45/69/570334569.db2.gz HKZATKSUQXXGIU-MRXNPFEDSA-N 0 0 390.505 2.978 40 70 GFIBRN COC(=O)c1cccc(Cn2cc([C@H]3OCCN3c3ccc(F)cc3)nn2)c1 ZINC000216771204 205934484 /nfs/dbraw/zinc/93/44/84/205934484.db2.gz QKORNSXLMWZENF-LJQANCHMSA-N 0 0 382.395 2.788 40 70 GFIBRN Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 ZINC000218587634 205949670 /nfs/dbraw/zinc/94/96/70/205949670.db2.gz XNUNBMGJUSVEGM-HNNXBMFYSA-N 0 0 376.478 2.872 40 70 GFIBRN Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 ZINC000218587553 205949825 /nfs/dbraw/zinc/94/98/25/205949825.db2.gz XNUNBMGJUSVEGM-OAHLLOKOSA-N 0 0 376.478 2.872 40 70 GFIBRN CSc1ccc(CCC(=O)N2CCc3cnc(N4CCOCC4)nc3C2)cc1 ZINC000217620887 136203357 /nfs/dbraw/zinc/20/33/57/136203357.db2.gz HOIDMVCFWWHMND-UHFFFAOYSA-N 0 0 398.532 2.553 40 70 GFIBRN COc1ccc(C(=O)N2CCC[C@@H](c3nnc(-c4cncnc4C)o3)C2)cc1 ZINC000216661099 570304084 /nfs/dbraw/zinc/30/40/84/570304084.db2.gz WESPSPMLTPWVKN-OAHLLOKOSA-N 0 0 379.420 2.863 40 70 GFIBRN COC(=O)c1cccc(Cn2cc([C@@H]3OCCN3Cc3ccccc3)nn2)c1 ZINC000216773026 570305902 /nfs/dbraw/zinc/30/59/02/570305902.db2.gz MMAIASIZBWSCIE-FQEVSTJZSA-N 0 0 378.432 2.644 40 70 GFIBRN O=C(C1=C2C(O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCCN12)c1ccc(F)cc1 ZINC000217597545 570318831 /nfs/dbraw/zinc/31/88/31/570318831.db2.gz GJIOGOHEZHMFOV-YRXWBPOGSA-N 0 0 396.393 2.800 40 70 GFIBRN COc1ccc(-c2noc(CNC(=O)COc3ccccc3C)n2)c(OC)c1 ZINC000217828814 570322084 /nfs/dbraw/zinc/32/20/84/570322084.db2.gz JNZBLTULTZXZKD-UHFFFAOYSA-N 0 0 383.404 2.757 40 70 GFIBRN COc1cccc(-c2noc(CN(C)C(=O)[C@@H]3COc4ccccc4O3)n2)c1 ZINC000218301853 570330873 /nfs/dbraw/zinc/33/08/73/570330873.db2.gz WOLFHLZITLKQTH-KRWDZBQOSA-N 0 0 381.388 2.544 40 70 GFIBRN COc1ccc(-c2cc(C(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)[nH]n2)cc1 ZINC000218019462 570324115 /nfs/dbraw/zinc/32/41/15/570324115.db2.gz XDHILGUKIZFGFU-GOEBONIOSA-N 0 0 390.443 2.507 40 70 GFIBRN CC(C)Oc1cccc(CNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1 ZINC000218283583 570329883 /nfs/dbraw/zinc/32/98/83/570329883.db2.gz OKLHPERWHHELIC-MRXNPFEDSA-N 0 0 390.505 2.945 40 70 GFIBRN CCS(=O)(=O)N(C)c1ccc(C(=O)NCCOc2ccc(C)cc2)cc1 ZINC000218440211 570334171 /nfs/dbraw/zinc/33/41/71/570334171.db2.gz SLXRGHOBWJCTRB-UHFFFAOYSA-N 0 0 376.478 2.590 40 70 GFIBRN CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)COc2ccc(C)cc2)cc1 ZINC000218640910 570338260 /nfs/dbraw/zinc/33/82/60/570338260.db2.gz HSFLGOCUOPARHG-HNNXBMFYSA-N 0 0 376.478 2.954 40 70 GFIBRN COC[C@@]1(C(N)=S)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218053483 553053250 /nfs/dbraw/zinc/05/32/50/553053250.db2.gz NJKCGWPFHISCLX-JENIJYKNSA-N 0 0 375.515 2.854 40 70 GFIBRN COC[C@@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218597718 553053830 /nfs/dbraw/zinc/05/38/30/553053830.db2.gz DPMFTWAZAPKRMJ-SOLBZPMBSA-N 0 0 379.478 2.684 40 70 GFIBRN COc1ccc(OC)c(N(CC(=O)NC2CCCCCCC2)S(C)(=O)=O)c1 ZINC000218260291 570329012 /nfs/dbraw/zinc/32/90/12/570329012.db2.gz LRRTWGNWKZMNER-UHFFFAOYSA-N 0 0 398.525 2.699 40 70 GFIBRN Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000218287476 205948198 /nfs/dbraw/zinc/94/81/98/205948198.db2.gz WMOQGHIIDYIPBH-SJORKVTESA-N 0 0 390.505 2.733 40 70 GFIBRN COC(=O)c1cccc(Cn2cc([C@@H]3OCCN3c3ccccc3OC)nn2)c1 ZINC000216763612 570305549 /nfs/dbraw/zinc/30/55/49/570305549.db2.gz WJKOPYCMKODUPO-FQEVSTJZSA-N 0 0 394.431 2.657 40 70 GFIBRN COc1ccc(CN2CCO[C@@H]2c2cn(Cc3cccc(OC)c3)nn2)cc1 ZINC000216778970 570306317 /nfs/dbraw/zinc/30/63/17/570306317.db2.gz AQZXXHRYTMMDJC-OAQYLSRUSA-N 0 0 380.448 2.875 40 70 GFIBRN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)N[C@H](C)CCCC(C)C)[C@H]4C2=O)no1 ZINC000217713231 570320585 /nfs/dbraw/zinc/32/05/85/570320585.db2.gz XCLJIXXMLYMVTE-SROCRSHHSA-N 0 0 387.480 2.600 40 70 GFIBRN COc1cccc(-c2noc(CN(C)C(=O)[C@H]3COc4ccccc4O3)n2)c1 ZINC000218301915 570330906 /nfs/dbraw/zinc/33/09/06/570330906.db2.gz WOLFHLZITLKQTH-QGZVFWFLSA-N 0 0 381.388 2.544 40 70 GFIBRN COC(=O)c1cccc(Cn2cc([C@@H]3OCCN3c3ccc(F)cc3)nn2)c1 ZINC000216771160 205934304 /nfs/dbraw/zinc/93/43/04/205934304.db2.gz QKORNSXLMWZENF-IBGZPJMESA-N 0 0 382.395 2.788 40 70 GFIBRN CCOC[C@]1(C(N)=S)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218042011 553053210 /nfs/dbraw/zinc/05/32/10/553053210.db2.gz OKCMYJZCYPWJIY-LNLFQRSKSA-N 0 0 375.515 2.935 40 70 GFIBRN Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 ZINC000218335471 570331703 /nfs/dbraw/zinc/33/17/03/570331703.db2.gz INUJXMOQZRKHMS-OAHLLOKOSA-N 0 0 376.478 2.588 40 70 GFIBRN Cc1ccc(OC[C@@H](C)NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1 ZINC000218342186 570332210 /nfs/dbraw/zinc/33/22/10/570332210.db2.gz OLEMSSKXIZVTMI-OAHLLOKOSA-N 0 0 376.478 2.588 40 70 GFIBRN COc1ccc(CCCNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1 ZINC000218595050 570337281 /nfs/dbraw/zinc/33/72/81/570337281.db2.gz AWVLTFJEWJWAHI-UHFFFAOYSA-N 0 0 376.478 2.738 40 70 GFIBRN CCN(c1ccc(C(=O)NCCCc2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000218777739 205951387 /nfs/dbraw/zinc/95/13/87/205951387.db2.gz LGIXWNCTDQWYRF-UHFFFAOYSA-N 0 0 378.469 2.974 40 70 GFIBRN CS(=O)(=O)N1CCC(c2nc(-c3ccc(Br)cc3)no2)CC1 ZINC000216670585 553052889 /nfs/dbraw/zinc/05/28/89/553052889.db2.gz JKKGJCYGSUQFHM-UHFFFAOYSA-N 0 0 386.271 2.638 40 70 GFIBRN CCOC[C@@]1(C(N)=S)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218041949 553053220 /nfs/dbraw/zinc/05/32/20/553053220.db2.gz OKCMYJZCYPWJIY-ZIFCJYIRSA-N 0 0 375.515 2.935 40 70 GFIBRN COC[C@]1(C(N)=S)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218479921 553054031 /nfs/dbraw/zinc/05/40/31/553054031.db2.gz SJBRWGDXJVFINB-AOIWGVFYSA-N 0 0 375.515 2.854 40 70 GFIBRN CC[C@H](NC(=O)COc1ccccc1OC)c1ccc(S(C)(=O)=O)cc1 ZINC000217948273 570322689 /nfs/dbraw/zinc/32/26/89/570322689.db2.gz KQZCQFIVGBSWJP-INIZCTEOSA-N 0 0 377.462 2.745 40 70 GFIBRN Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCCN(C)c1ccccc1 ZINC000218583165 570336889 /nfs/dbraw/zinc/33/68/89/570336889.db2.gz ZMDWBCGGZGQMSH-UHFFFAOYSA-N 0 0 375.494 2.623 40 70 GFIBRN CCN(c1ccc(C(=O)NCCOc2ccc(C)cc2)cc1)S(C)(=O)=O ZINC000218778352 570341008 /nfs/dbraw/zinc/34/10/08/570341008.db2.gz IPPJNYLLTQOIMP-UHFFFAOYSA-N 0 0 376.478 2.590 40 70 GFIBRN COC[C@]1(C(N)=S)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218597810 553054066 /nfs/dbraw/zinc/05/40/66/553054066.db2.gz DPMFTWAZAPKRMJ-BQFCYCMXSA-N 0 0 379.478 2.684 40 70 GFIBRN COc1cccc(-c2noc(CNC(=O)/C=C/c3ccc4c(c3)OCO4)n2)c1 ZINC000217931968 570322775 /nfs/dbraw/zinc/32/27/75/570322775.db2.gz FNVZSMWZFSFEOB-SOFGYWHQSA-N 0 0 379.372 2.804 40 70 GFIBRN CC(=O)c1cn(CC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c2ccccc12 ZINC000218020287 570324095 /nfs/dbraw/zinc/32/40/95/570324095.db2.gz KQEMDKDJLZBOBE-DLBZAZTESA-N 0 0 389.455 2.652 40 70 GFIBRN COc1ccc(CN(C)C(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000218446070 570334499 /nfs/dbraw/zinc/33/44/99/570334499.db2.gz DFLDHISBELZTCK-AWEZNQCLSA-N 0 0 394.468 2.647 40 70 GFIBRN CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)COc2ccc(OC)cc2)cc1 ZINC000218639345 570338306 /nfs/dbraw/zinc/33/83/06/570338306.db2.gz UHYYBEQSTQFVMD-AWEZNQCLSA-N 0 0 392.477 2.654 40 70 GFIBRN COC(=O)c1cccc(Cn2cc([C@@H]3OCCN3c3ccc(C)cc3)nn2)c1 ZINC000216761825 208825055 /nfs/dbraw/zinc/82/50/55/208825055.db2.gz HVBDWMHMNSOCMJ-FQEVSTJZSA-N 0 0 378.432 2.957 40 70 GFIBRN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc4c(c3)OCO4)[C@@H]2C(N)=S)cc1 ZINC000218175255 553053537 /nfs/dbraw/zinc/05/35/37/553053537.db2.gz DFDZFDGIGHWDND-ULQDDVLXSA-N 0 0 375.471 2.566 40 70 GFIBRN CCN(c1ccc(C(=O)NCCCc2ccccc2OC)cc1)S(C)(=O)=O ZINC000218777840 570340973 /nfs/dbraw/zinc/34/09/73/570340973.db2.gz AXPVONUTXFEASU-UHFFFAOYSA-N 0 0 390.505 2.844 40 70 GFIBRN COCCN1C(=O)CS[C@H]1c1cn(Cc2ccccc2C(F)(F)F)nn1 ZINC000216688509 570304314 /nfs/dbraw/zinc/30/43/14/570304314.db2.gz LGSDIIYGPLUWLL-HNNXBMFYSA-N 0 0 386.399 2.566 40 70 GFIBRN CC(C)Oc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c1 ZINC000218415949 570333643 /nfs/dbraw/zinc/33/36/43/570333643.db2.gz WUTHQOGJLLSBHH-UHFFFAOYSA-N 0 0 391.493 2.725 40 70 GFIBRN CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)COc2ccccc2C)cc1 ZINC000218640741 570338215 /nfs/dbraw/zinc/33/82/15/570338215.db2.gz UJJLNUCPUYADGN-HNNXBMFYSA-N 0 0 376.478 2.954 40 70 GFIBRN CS(=O)(=O)N1CCC(c2nc(-c3cccc(Br)c3)no2)CC1 ZINC000216670653 208823272 /nfs/dbraw/zinc/82/32/72/208823272.db2.gz NGZMLNAGPOGCRO-UHFFFAOYSA-N 0 0 386.271 2.638 40 70 GFIBRN COC(=O)c1ccc(Cn2cc([C@@H]3OCCN3Cc3cccc(C)c3)nn2)cc1 ZINC000216776920 208825178 /nfs/dbraw/zinc/82/51/78/208825178.db2.gz YQSOKEIXRNJYSG-NRFANRHFSA-N 0 0 392.459 2.952 40 70 GFIBRN COc1ccc(CCCNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000218284989 208835081 /nfs/dbraw/zinc/83/50/81/208835081.db2.gz WRXASWULGQAAMO-MRXNPFEDSA-N 0 0 390.505 2.599 40 70 GFIBRN Cc1ccc(OC[C@H](C)NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1 ZINC000218342273 570332193 /nfs/dbraw/zinc/33/21/93/570332193.db2.gz OLEMSSKXIZVTMI-HNNXBMFYSA-N 0 0 376.478 2.588 40 70 GFIBRN CCN(c1ccc(C(=O)N[C@@H](C)COc2ccccc2C)cc1)S(C)(=O)=O ZINC000218780689 570340980 /nfs/dbraw/zinc/34/09/80/570340980.db2.gz SZMAUHWKJPISSB-INIZCTEOSA-N 0 0 390.505 2.978 40 70 GFIBRN CCN(c1ccc(C(=O)NCCCc2cccc(OC)c2)cc1)S(C)(=O)=O ZINC000218777939 570341086 /nfs/dbraw/zinc/34/10/86/570341086.db2.gz BNDAEYUCFMTUHB-UHFFFAOYSA-N 0 0 390.505 2.844 40 70 GFIBRN CCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)COc2ccccc2C)cc1 ZINC000218640816 570338295 /nfs/dbraw/zinc/33/82/95/570338295.db2.gz UJJLNUCPUYADGN-OAHLLOKOSA-N 0 0 376.478 2.954 40 70 GFIBRN COC[C@@]1(C(N)=S)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218599258 570931801 /nfs/dbraw/zinc/93/18/01/570931801.db2.gz OZMAUZVDXVMFMQ-JENIJYKNSA-N 0 0 393.505 2.993 40 70 GFIBRN CC[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C)c(C)c1 ZINC000218328540 208836567 /nfs/dbraw/zinc/83/65/67/208836567.db2.gz XVKLFZDGINIXNU-QGZVFWFLSA-N 0 0 386.473 2.715 40 70 GFIBRN CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(OC)c(OC)c1 ZINC000218403754 570333759 /nfs/dbraw/zinc/33/37/59/570333759.db2.gz LLTCMDNKWMQXRQ-MRXNPFEDSA-N 0 0 392.477 2.956 40 70 GFIBRN CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@@H](C)COc2ccccc2C)cc1 ZINC000218441486 570334605 /nfs/dbraw/zinc/33/46/05/570334605.db2.gz HKZATKSUQXXGIU-INIZCTEOSA-N 0 0 390.505 2.978 40 70 GFIBRN O=C(c1cc(-c2cccs2)n[nH]1)N1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000160113730 570715060 /nfs/dbraw/zinc/71/50/60/570715060.db2.gz SDVNRYUNPWVWSS-UHFFFAOYSA-N 0 0 378.461 2.977 40 70 GFIBRN COC(=O)c1ccc(Cn2cc([C@@H]3OCCN3c3ccc(C)cc3)nn2)cc1 ZINC000216761935 570305630 /nfs/dbraw/zinc/30/56/30/570305630.db2.gz NKTVOVDZQGLTSF-FQEVSTJZSA-N 0 0 378.432 2.957 40 70 GFIBRN COC(=O)c1cccc(Cn2cc([C@@H]3OCCN3Cc3cccc(C)c3)nn2)c1 ZINC000216776817 570306257 /nfs/dbraw/zinc/30/62/57/570306257.db2.gz SURWJKSQNZGKCV-NRFANRHFSA-N 0 0 392.459 2.952 40 70 GFIBRN COC(=O)c1cccc(Cn2cc([C@@H]3OCCN3Cc3ccc(C)cc3)nn2)c1 ZINC000216774913 570306295 /nfs/dbraw/zinc/30/62/95/570306295.db2.gz IAXBYDGOHUJQNN-NRFANRHFSA-N 0 0 392.459 2.952 40 70 GFIBRN COc1cccc2c1ccn2CCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000218063188 570324689 /nfs/dbraw/zinc/32/46/89/570324689.db2.gz WCXBDXFFSXWFMQ-DLBZAZTESA-N 0 0 391.471 2.848 40 70 GFIBRN COc1ccc(OC[C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1 ZINC000218595235 570337356 /nfs/dbraw/zinc/33/73/56/570337356.db2.gz SJFCESUSIXOEBO-AWEZNQCLSA-N 0 0 392.477 2.572 40 70 GFIBRN COC(=O)c1ccc(Cn2cc([C@H]3OCCN3c3ccc(F)cc3)nn2)cc1 ZINC000216771316 208824457 /nfs/dbraw/zinc/82/44/57/208824457.db2.gz ZRPTWQLBPXPJHY-LJQANCHMSA-N 0 0 382.395 2.788 40 70 GFIBRN CCS(=O)(=O)N(C)c1ccc(C(=O)NCCCc2cccc(OC)c2)cc1 ZINC000218439813 208836183 /nfs/dbraw/zinc/83/61/83/208836183.db2.gz WPMKAUGVTMHTOZ-UHFFFAOYSA-N 0 0 390.505 2.844 40 70 GFIBRN Cc1ccc(OC[C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1 ZINC000218596919 208838008 /nfs/dbraw/zinc/83/80/08/208838008.db2.gz POASUGYZARGDND-HNNXBMFYSA-N 0 0 376.478 2.872 40 70 GFIBRN Cc1ccc(S(=O)(=O)[C@H]2[C@H](C(N)=S)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000218175191 553053235 /nfs/dbraw/zinc/05/32/35/553053235.db2.gz DFDZFDGIGHWDND-GVDBMIGSSA-N 0 0 375.471 2.566 40 70 GFIBRN COCCN1C(=O)CS[C@@H]1c1cn(Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000216688580 570304371 /nfs/dbraw/zinc/30/43/71/570304371.db2.gz XSLZMLGHYBCKGC-OAHLLOKOSA-N 0 0 386.399 2.566 40 70 GFIBRN CC(C)Oc1cccc(CNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1 ZINC000218283639 570329822 /nfs/dbraw/zinc/32/98/22/570329822.db2.gz OKLHPERWHHELIC-INIZCTEOSA-N 0 0 390.505 2.945 40 70 GFIBRN COc1ccc(-c2noc(CN(C)C(=O)COc3ccccc3)n2)c(OC)c1 ZINC000217824610 211752664 /nfs/dbraw/zinc/75/26/64/211752664.db2.gz KMNZLPWEJOVHFC-UHFFFAOYSA-N 0 0 383.404 2.791 40 70 GFIBRN CS(=O)(=O)N1CCC[C@@H](c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000216671782 211744744 /nfs/dbraw/zinc/74/47/44/211744744.db2.gz UNRVCQGRHBCHIJ-LLVKDONJSA-N 0 0 386.271 2.638 40 70 GFIBRN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc4c(c3)OCO4)[C@@H]2C(N)=S)cc1 ZINC000218175334 553053259 /nfs/dbraw/zinc/05/32/59/553053259.db2.gz DFDZFDGIGHWDND-YESZJQIVSA-N 0 0 375.471 2.566 40 70 GFIBRN Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O ZINC000218287204 570330055 /nfs/dbraw/zinc/33/00/55/570330055.db2.gz FKHVLHWXGBHMQF-SJORKVTESA-N 0 0 390.505 2.733 40 70 GFIBRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1C ZINC000218419706 570334030 /nfs/dbraw/zinc/33/40/30/570334030.db2.gz CCIMSYHEVVOWFX-QGZVFWFLSA-N 0 0 389.521 2.794 40 70 GFIBRN CCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)COc2ccc(OC)cc2)cc1 ZINC000218639418 570338273 /nfs/dbraw/zinc/33/82/73/570338273.db2.gz UHYYBEQSTQFVMD-CQSZACIVSA-N 0 0 392.477 2.654 40 70 GFIBRN COc1ccc(OC)c(Nc2cc(N3CCN(C)CC3)nc(SC)n2)c1 ZINC000216852209 136203130 /nfs/dbraw/zinc/20/31/30/136203130.db2.gz ZQWUQJQXVKRFPP-UHFFFAOYSA-N 0 0 375.498 2.711 40 70 GFIBRN COc1ccc(Nc2cc(N3CCN(C)CC3)nc(SC)n2)c(OC)c1 ZINC000216852170 136203198 /nfs/dbraw/zinc/20/31/98/136203198.db2.gz VPPLDWGWBUODJR-UHFFFAOYSA-N 0 0 375.498 2.711 40 70 GFIBRN CCOC[C@]1(C(N)=S)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218041869 553053312 /nfs/dbraw/zinc/05/33/12/553053312.db2.gz OKCMYJZCYPWJIY-AOIWGVFYSA-N 0 0 375.515 2.935 40 70 GFIBRN CCS(=O)(=O)N(C)c1ccc(C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000218445757 570334411 /nfs/dbraw/zinc/33/44/11/570334411.db2.gz MLLKMOXJLHTSNE-UHFFFAOYSA-N 0 0 389.521 2.729 40 70 GFIBRN COc1cc(CNC(=O)c2cccc(NS(C)(=O)=O)c2)ccc1OC(C)C ZINC000218566222 570336605 /nfs/dbraw/zinc/33/66/05/570336605.db2.gz PTLHUQNANRDXNF-UHFFFAOYSA-N 0 0 392.477 2.784 40 70 GFIBRN COc1ccccc1CCCNC(=O)c1cccc(NS(C)(=O)=O)c1C ZINC000218577609 570337076 /nfs/dbraw/zinc/33/70/76/570337076.db2.gz NGRZMHMNIYBHLZ-UHFFFAOYSA-N 0 0 376.478 2.738 40 70 GFIBRN COC[C@@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218599093 570931749 /nfs/dbraw/zinc/93/17/49/570931749.db2.gz OZMAUZVDXVMFMQ-ZIFCJYIRSA-N 0 0 393.505 2.993 40 70 GFIBRN C[C@H](C(=O)NCCCc1ccc(F)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218457288 211761108 /nfs/dbraw/zinc/76/11/08/211761108.db2.gz YBOUMTABZUDTST-CQSZACIVSA-N 0 0 396.459 2.868 40 70 GFIBRN COC(=O)c1cccc(Cn2cc([C@H]3OCCN3Cc3ccccc3)nn2)c1 ZINC000216773070 570305968 /nfs/dbraw/zinc/30/59/68/570305968.db2.gz MMAIASIZBWSCIE-HXUWFJFHSA-N 0 0 378.432 2.644 40 70 GFIBRN COc1ccc(CCCNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000218285039 570329760 /nfs/dbraw/zinc/32/97/60/570329760.db2.gz WRXASWULGQAAMO-INIZCTEOSA-N 0 0 390.505 2.599 40 70 GFIBRN CCN(c1ccc(C(=O)NCCCc2ccc(OC)cc2)cc1)S(C)(=O)=O ZINC000218778045 570340994 /nfs/dbraw/zinc/34/09/94/570340994.db2.gz DMRQODBSIWBLTE-UHFFFAOYSA-N 0 0 390.505 2.844 40 70 GFIBRN COCCN1C(=O)CS[C@H]1c1cn(Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000216688625 570304300 /nfs/dbraw/zinc/30/43/00/570304300.db2.gz XSLZMLGHYBCKGC-HNNXBMFYSA-N 0 0 386.399 2.566 40 70 GFIBRN COc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccccc4)N4CCC[C@H]34)C2O)cc1 ZINC000217444143 570316205 /nfs/dbraw/zinc/31/62/05/570316205.db2.gz NMGOVUSWQPVCMX-ZRNYENFQSA-N 0 0 390.439 2.530 40 70 GFIBRN Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000218287540 570330048 /nfs/dbraw/zinc/33/00/48/570330048.db2.gz WMOQGHIIDYIPBH-IRXDYDNUSA-N 0 0 390.505 2.733 40 70 GFIBRN Cc1ccc(OC[C@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 ZINC000218335565 570331532 /nfs/dbraw/zinc/33/15/32/570331532.db2.gz INUJXMOQZRKHMS-HNNXBMFYSA-N 0 0 376.478 2.588 40 70 GFIBRN CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@H](C)COc2ccc(C)cc2)cc1 ZINC000218441761 570334454 /nfs/dbraw/zinc/33/44/54/570334454.db2.gz KBQWBBMHIHFVPV-MRXNPFEDSA-N 0 0 390.505 2.978 40 70 GFIBRN CCOc1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1OCC ZINC000218401396 211759368 /nfs/dbraw/zinc/75/93/68/211759368.db2.gz RLIOKLLAOFMIQB-UHFFFAOYSA-N 0 0 392.477 2.786 40 70 GFIBRN COC[C@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218599008 570931687 /nfs/dbraw/zinc/93/16/87/570931687.db2.gz OZMAUZVDXVMFMQ-AOIWGVFYSA-N 0 0 393.505 2.993 40 70 GFIBRN CCN(c1ccc(C(=O)N[C@H](C)COc2ccccc2C)cc1)S(C)(=O)=O ZINC000218780775 211763052 /nfs/dbraw/zinc/76/30/52/211763052.db2.gz SZMAUHWKJPISSB-MRXNPFEDSA-N 0 0 390.505 2.978 40 70 GFIBRN CC[C@H](NC(=O)c1cc(OC)cc(OC)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000218176716 211756504 /nfs/dbraw/zinc/75/65/04/211756504.db2.gz BFUCEXGCPZZIGB-SFHVURJKSA-N 0 0 377.462 2.988 40 70 GFIBRN COC(=O)c1ccc(NC(=O)[C@@]23C[C@H]4C[C@@H](C2)C[C@](n2nnc(C)n2)(C4)C3)cc1 ZINC000217525754 570317689 /nfs/dbraw/zinc/31/76/89/570317689.db2.gz SOSGUVUARITUOF-ZFJWPNLUSA-N 0 0 395.463 2.702 40 70 GFIBRN COc1ccc(O[C@H](C)C(=O)NCc2nc(-c3cccc(OC)c3)no2)cc1 ZINC000218753030 570340323 /nfs/dbraw/zinc/34/03/23/570340323.db2.gz CTIJNZWDYODQFF-CYBMUJFWSA-N 0 0 383.404 2.838 40 70 GFIBRN COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000216844332 211744882 /nfs/dbraw/zinc/74/48/82/211744882.db2.gz OEBFLMBRXOKJIL-UHFFFAOYSA-N 0 0 387.867 2.989 40 70 GFIBRN COC[C@@]1(C(N)=S)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218597893 553053739 /nfs/dbraw/zinc/05/37/39/553053739.db2.gz DPMFTWAZAPKRMJ-XYJFISCASA-N 0 0 379.478 2.684 40 70 GFIBRN COc1ccccc1CCCNC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 ZINC000218586798 570336923 /nfs/dbraw/zinc/33/69/23/570336923.db2.gz WEBBLZHAWZFCHN-UHFFFAOYSA-N 0 0 376.478 2.738 40 70 GFIBRN COc1ccc(O[C@@H](C)C(=O)NCc2nc(-c3cccc(OC)c3)no2)cc1 ZINC000218752988 570340313 /nfs/dbraw/zinc/34/03/13/570340313.db2.gz CTIJNZWDYODQFF-ZDUSSCGKSA-N 0 0 383.404 2.838 40 70 GFIBRN Cn1cc(CCC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c2ccccc21 ZINC000218119460 222585699 /nfs/dbraw/zinc/58/56/99/222585699.db2.gz GIEMGKBMGYURSO-FUHWJXTLSA-N 0 0 375.472 2.919 40 70 GFIBRN CS(=O)(=O)N1CCC[C@H](c2nc(-c3ccccc3Br)no2)C1 ZINC000216671709 553053004 /nfs/dbraw/zinc/05/30/04/553053004.db2.gz FMUYTZIUNYTOIS-JTQLQIEISA-N 0 0 386.271 2.638 40 70 GFIBRN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C(N)=S)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000218175128 553053287 /nfs/dbraw/zinc/05/32/87/553053287.db2.gz DFDZFDGIGHWDND-BBWFWOEESA-N 0 0 375.471 2.566 40 70 GFIBRN CC[C@@H](C)[C@@H](CO)NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000217864116 570322038 /nfs/dbraw/zinc/32/20/38/570322038.db2.gz FLMRIIGSFMEMHE-HBGVWJBISA-N 0 0 380.488 2.777 40 70 GFIBRN CCN(c1ccc(C(=O)N[C@@H](C)COc2ccc(C)cc2)cc1)S(C)(=O)=O ZINC000218780886 570340996 /nfs/dbraw/zinc/34/09/96/570340996.db2.gz JKOPNSTZPAELTJ-INIZCTEOSA-N 0 0 390.505 2.978 40 70 GFIBRN COc1ccccc1CCCNC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O ZINC000218284784 222587635 /nfs/dbraw/zinc/58/76/35/222587635.db2.gz JQYNDHHCVQGZMH-INIZCTEOSA-N 0 0 390.505 2.599 40 70 GFIBRN COC[C@@]1(C(N)=S)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218605760 553053960 /nfs/dbraw/zinc/05/39/60/553053960.db2.gz BHZVPGZYJAABEH-SOLBZPMBSA-N 0 0 379.478 2.684 40 70 GFIBRN COC(=O)c1cccc(Cn2cc([C@H]3OCCN3c3ccccc3OC)nn2)c1 ZINC000216763655 570305514 /nfs/dbraw/zinc/30/55/14/570305514.db2.gz WJKOPYCMKODUPO-HXUWFJFHSA-N 0 0 394.431 2.657 40 70 GFIBRN COc1ccc(-c2noc(CNC(=O)c3ccc(OC)c(OC)c3)n2)c(OC)c1 ZINC000217881536 570322498 /nfs/dbraw/zinc/32/24/98/570322498.db2.gz MITISLVXVWUAPP-UHFFFAOYSA-N 0 0 399.403 2.701 40 70 GFIBRN Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000218287366 570330182 /nfs/dbraw/zinc/33/01/82/570330182.db2.gz WMOQGHIIDYIPBH-IAGOWNOFSA-N 0 0 390.505 2.733 40 70 GFIBRN CCS(=O)(=O)Nc1ccc(C(=O)NCCCc2ccc(OC)cc2)cc1 ZINC000218639241 570338281 /nfs/dbraw/zinc/33/82/81/570338281.db2.gz ZOOVSGAVSUJOMJ-UHFFFAOYSA-N 0 0 376.478 2.819 40 70 GFIBRN COc1ccc(C(=O)N2CCC[C@H](c3nnc(-c4cnc(C)nc4)o3)C2)cc1 ZINC000216658475 570304065 /nfs/dbraw/zinc/30/40/65/570304065.db2.gz QBXURENFXQXIMB-HNNXBMFYSA-N 0 0 379.420 2.863 40 70 GFIBRN COCCN1C(=O)CS[C@@H]1c1cn(Cc2ccccc2C(F)(F)F)nn1 ZINC000216688467 570304273 /nfs/dbraw/zinc/30/42/73/570304273.db2.gz LGSDIIYGPLUWLL-OAHLLOKOSA-N 0 0 386.399 2.566 40 70 GFIBRN Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 ZINC000218579284 570337135 /nfs/dbraw/zinc/33/71/35/570337135.db2.gz PAVHLGSTZUSEPF-CQSZACIVSA-N 0 0 376.478 2.872 40 70 GFIBRN COc1cccc(CCCNC(=O)c2cccc(NS(C)(=O)=O)c2C)c1 ZINC000218577701 570337170 /nfs/dbraw/zinc/33/71/70/570337170.db2.gz GMRSGDNACAUCAU-UHFFFAOYSA-N 0 0 376.478 2.738 40 70 GFIBRN CCN(c1ccc(C(=O)N[C@H](C)COc2ccc(C)cc2)cc1)S(C)(=O)=O ZINC000218780971 570341056 /nfs/dbraw/zinc/34/10/56/570341056.db2.gz JKOPNSTZPAELTJ-MRXNPFEDSA-N 0 0 390.505 2.978 40 70 GFIBRN O=C(c1ccc(Cl)cc1Cl)N1CCc2cnc(N3CCOCC3)nc2C1 ZINC000217622942 136203437 /nfs/dbraw/zinc/20/34/37/136203437.db2.gz XEYLCGZSTYIUCZ-UHFFFAOYSA-N 0 0 393.274 2.819 40 70 GFIBRN Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 ZINC000218335358 570331563 /nfs/dbraw/zinc/33/15/63/570331563.db2.gz OJSJKZVPNAEUIR-HNNXBMFYSA-N 0 0 376.478 2.588 40 70 GFIBRN COc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 ZINC000218586892 570336885 /nfs/dbraw/zinc/33/68/85/570336885.db2.gz XERKUJPYLOJYFW-CQSZACIVSA-N 0 0 392.477 2.572 40 70 GFIBRN CCS(=O)(=O)Nc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000218645882 570338564 /nfs/dbraw/zinc/33/85/64/570338564.db2.gz XNONFYMLVXGRDA-UHFFFAOYSA-N 0 0 375.494 2.705 40 70 GFIBRN CS(=O)(=O)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000216670710 222578402 /nfs/dbraw/zinc/57/84/02/222578402.db2.gz NGLKIQQWEOEEPN-UHFFFAOYSA-N 0 0 386.271 2.638 40 70 GFIBRN COc1ccc(Nc2cc(N3CCN(C)CC3)nc(SC)n2)cc1OC ZINC000216852251 136203128 /nfs/dbraw/zinc/20/31/28/136203128.db2.gz MBQPFCMXOWZUNA-UHFFFAOYSA-N 0 0 375.498 2.711 40 70 GFIBRN COC[C@]1(C(N)=S)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218480071 553053951 /nfs/dbraw/zinc/05/39/51/553053951.db2.gz SJBRWGDXJVFINB-LNLFQRSKSA-N 0 0 375.515 2.854 40 70 GFIBRN CC[C@@H](NC(=O)c1ccc(OC)c(OC)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000217881347 570322368 /nfs/dbraw/zinc/32/23/68/570322368.db2.gz AZFOTKXJRQBTFH-MRXNPFEDSA-N 0 0 377.462 2.988 40 70 GFIBRN CCc1ccc(N(CC(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1 ZINC000218307604 570330715 /nfs/dbraw/zinc/33/07/15/570330715.db2.gz XYHBWIQGIGQSKK-UHFFFAOYSA-N 0 0 396.534 2.658 40 70 GFIBRN CC[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C)c(C)c1 ZINC000218328613 570331592 /nfs/dbraw/zinc/33/15/92/570331592.db2.gz XVKLFZDGINIXNU-KRWDZBQOSA-N 0 0 386.473 2.715 40 70 GFIBRN CC[C@@H](NC(=O)COc1ccccc1OC)c1ccc(S(C)(=O)=O)cc1 ZINC000217948193 570322802 /nfs/dbraw/zinc/32/28/02/570322802.db2.gz KQZCQFIVGBSWJP-MRXNPFEDSA-N 0 0 377.462 2.745 40 70 GFIBRN CCOc1ccc(CCCNC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1 ZINC000218341986 570332007 /nfs/dbraw/zinc/33/20/07/570332007.db2.gz HNLFYLBLEBXSEZ-UHFFFAOYSA-N 0 0 390.505 2.844 40 70 GFIBRN O=C(CCCN1C(=O)c2ccccc2C1=O)NCCOc1ccccc1Cl ZINC000159444486 570708708 /nfs/dbraw/zinc/70/87/08/570708708.db2.gz IMFOIVZMQUHXDD-UHFFFAOYSA-N 0 0 386.835 2.911 40 70 GFIBRN COC[C@]1(C(N)=S)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218053406 553053457 /nfs/dbraw/zinc/05/34/57/553053457.db2.gz NJKCGWPFHISCLX-LNLFQRSKSA-N 0 0 375.515 2.854 40 70 GFIBRN COC[C@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218597654 553053964 /nfs/dbraw/zinc/05/39/64/553053964.db2.gz DPMFTWAZAPKRMJ-RYRKJORJSA-N 0 0 379.478 2.684 40 70 GFIBRN COC(=O)c1cccc(Cn2cc([C@H]3OCCN3c3cccc(C)c3)nn2)c1 ZINC000216759969 570305651 /nfs/dbraw/zinc/30/56/51/570305651.db2.gz MZQFMGWYSDFOKR-HXUWFJFHSA-N 0 0 378.432 2.957 40 70 GFIBRN CCOC(=O)c1cccc(NC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)c1 ZINC000218779103 570341089 /nfs/dbraw/zinc/34/10/89/570341089.db2.gz NROAIRALLFBWCL-UHFFFAOYSA-N 0 0 390.461 2.902 40 70 GFIBRN