smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1ccc(/C=C2\SC(OCNc3ccc(C)c(C)c3)=NC2=O)cc1 ZINC000005740470 209613036 /nfs/dbraw/zinc/61/30/36/209613036.db2.gz QOEUVCQVCQZDQM-WQRHYEAKSA-N 0 0 384.526 5.082 40 10 GKCBRN Cc1ccc(C)c(N2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)c1 ZINC000005551998 209601637 /nfs/dbraw/zinc/60/16/37/209601637.db2.gz RQTJFIVVKXPAEX-MOSHPQCFSA-N 0 0 375.518 5.862 40 10 GKCBRN CCN(CC)c1ccc([C@H](NC[C@@H]2CCCCO2)C(Cl)(Cl)Cl)cc1 ZINC000001667979 209334954 /nfs/dbraw/zinc/33/49/54/209334954.db2.gz LQBYSZDCMCCWBY-IRXDYDNUSA-N 0 0 393.786 5.103 40 10 GKCBRN CCCCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1ccccc1 ZINC000001994176 212261527 /nfs/dbraw/zinc/26/15/27/212261527.db2.gz OMRAMGDLAVYLFA-UHFFFAOYSA-O 0 0 378.348 6.553 40 10 GKCBRN Cc1cc2nc(CC(=O)c3ccccc3)c(CC(=O)c3ccccc3)nc2cc1C ZINC000001588939 212250160 /nfs/dbraw/zinc/25/01/60/212250160.db2.gz DNDLAVLOHBAKJE-UHFFFAOYSA-N 0 0 394.474 5.097 40 10 GKCBRN CCCCc1ccc(NCc2ccc(N3CCCC[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000226242305 209187672 /nfs/dbraw/zinc/18/76/72/209187672.db2.gz GIFGGGHNESSSBQ-GOSISDBHSA-N 0 0 381.520 5.928 40 10 GKCBRN CCCc1ccc(NC2=NC(=O)C(=Cc3ccc(OCC)c(OC)c3)S2)cc1 ZINC000028296852 209180749 /nfs/dbraw/zinc/18/07/49/209180749.db2.gz XCPSBTSXFONKAZ-XSFVSMFZSA-N 0 0 396.512 5.129 40 10 GKCBRN O=[N+]([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N3C[C@H]1CC=C[C@H]21 ZINC000004697096 204065000 /nfs/dbraw/zinc/06/50/00/204065000.db2.gz BIBYXMCNCDHNPI-DJIOSBNXSA-N 0 0 388.442 5.628 40 10 GKCBRN CCC(=O)N1c2ccc(Cl)cc2[C@H]2C=CC[C@H]2[C@@H]1c1cccc2ccccc21 ZINC000004833125 204081140 /nfs/dbraw/zinc/08/11/40/204081140.db2.gz WXGSZCLVYGKRSJ-HWHXTQLESA-N 0 0 387.910 6.651 40 10 GKCBRN O=[N+]([O-])c1ccc([C@H]2Nc3c(C(F)(F)F)ccc(Cl)c3[C@H]3C=CC[C@@H]32)cc1 ZINC000004427869 204044575 /nfs/dbraw/zinc/04/45/75/204044575.db2.gz KPJBPVNCPOHPDZ-GDZNZVCISA-N 0 0 394.780 6.094 40 10 GKCBRN O=[N+]([O-])c1cc([C@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)ccc1Cl ZINC000004593476 204056609 /nfs/dbraw/zinc/05/66/09/204056609.db2.gz FLOCAIFEUXAXLG-XWCIJXRUSA-N 0 0 395.673 6.382 40 10 GKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3ccccc3OC)SC2=S)cc1 ZINC000005371283 204128209 /nfs/dbraw/zinc/12/82/09/204128209.db2.gz PVHWCRBTFRZBMW-RGEXLXHISA-N 0 0 383.538 5.444 40 10 GKCBRN Fc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 ZINC000004975206 204098424 /nfs/dbraw/zinc/09/84/24/204098424.db2.gz PATGJBRXGOWEMN-SYTFOFBDSA-N 0 0 388.236 5.143 40 10 GKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc(C)cc4)ccc3o2)cc1 ZINC000005795011 204151813 /nfs/dbraw/zinc/15/18/13/204151813.db2.gz VCOIUYNYIALIQM-UHFFFAOYSA-N 0 0 399.494 5.902 40 10 GKCBRN O=C1/C(=C/c2ccc[nH]2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000005374576 204129938 /nfs/dbraw/zinc/12/99/38/204129938.db2.gz RCFTUIDJNXBWHZ-SDQBBNPISA-N 0 0 388.823 5.093 40 10 GKCBRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000005515380 204136943 /nfs/dbraw/zinc/13/69/43/204136943.db2.gz MCUZETUVELBTAC-QURGRASLSA-N 0 0 391.343 5.171 40 10 GKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 ZINC000005551923 204139009 /nfs/dbraw/zinc/13/90/09/204139009.db2.gz SYJGEPQPSATIGS-AQTBWJFISA-N 0 0 398.509 5.343 40 10 GKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)SC2=S)cc1 ZINC000006538526 204182666 /nfs/dbraw/zinc/18/26/66/204182666.db2.gz ZSJKGRSAENORCT-RGEXLXHISA-N 0 0 397.565 5.789 40 10 GKCBRN COc1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)cc1Cl ZINC000027644863 209178324 /nfs/dbraw/zinc/17/83/24/209178324.db2.gz XYZOMDLCEISUJW-NRFANRHFSA-N 0 0 391.858 5.199 40 10 GKCBRN Cc1ccc(COc2cccc(/C=C3\SC(=S)N(C(C)C)C3=O)c2)cc1 ZINC000009188404 204301665 /nfs/dbraw/zinc/30/16/65/204301665.db2.gz JJBHSCCLIIMFCW-UNOMPAQXSA-N 0 0 383.538 5.184 40 10 GKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)SC2=S)cc1 ZINC000009188790 204301765 /nfs/dbraw/zinc/30/17/65/204301765.db2.gz IMAYXLOOXFIZDZ-RGEXLXHISA-N 0 0 381.566 5.952 40 10 GKCBRN CCCCN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S ZINC000009188392 204302178 /nfs/dbraw/zinc/30/21/78/204302178.db2.gz WPMUUEIMZDLFRR-XMHGGMMESA-N 0 0 383.538 5.267 40 10 GKCBRN O=C1N=C(N2CCCCCC2)S/C1=C\c1ccccc1OCc1ccccc1 ZINC000009188856 204302252 /nfs/dbraw/zinc/30/22/52/204302252.db2.gz LHDYWFFNGGFUNO-PGMHBOJBSA-N 0 0 392.524 5.112 40 10 GKCBRN O=C1/C(=C\c2ccccc2Cl)N=C(c2ccccc2F)N1c1ccc(O)cc1 ZINC000009694748 204320310 /nfs/dbraw/zinc/32/03/10/204320310.db2.gz CTRJLNXZGUWYLP-DEDYPNTBSA-N 0 0 392.817 5.019 40 10 GKCBRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 ZINC000225085653 211882909 /nfs/dbraw/zinc/88/29/09/211882909.db2.gz CDALDBFMOOBZIH-LJQANCHMSA-N 0 0 382.548 5.048 40 10 GKCBRN Cc1ccc(C)c(C2=C/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)O2)c1 ZINC000036089882 205006223 /nfs/dbraw/zinc/00/62/23/205006223.db2.gz FIZFRIHSGAYQEI-PXLXIMEGSA-N 0 0 382.459 5.864 40 10 GKCBRN COc1ccc(N(Cc2ccccc2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 ZINC000057719784 211775125 /nfs/dbraw/zinc/77/51/25/211775125.db2.gz NGGYDBQPNLIDBS-UHFFFAOYSA-N 0 0 398.506 5.360 40 10 GKCBRN CCOc1ccc(/C=C2/C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc1 ZINC000004866030 205754325 /nfs/dbraw/zinc/75/43/25/205754325.db2.gz GGMMAPNMQRYYOA-SILNSSARSA-N 0 0 384.431 5.859 40 10 GKCBRN O=C1c2cccc(Nc3ccccc3)c2C(=O)c2cccc(Nc3ccccc3)c21 ZINC000005002816 205758776 /nfs/dbraw/zinc/75/87/76/205758776.db2.gz VMDUEJVMKSOQEZ-UHFFFAOYSA-N 0 0 390.442 5.949 40 10 GKCBRN COc1cc(OC)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000004959534 205760541 /nfs/dbraw/zinc/76/05/41/205760541.db2.gz QFZRMCUSDMLCHR-CKFHNAJUSA-N 0 0 386.835 5.092 40 10 GKCBRN CC(=O)c1ccc(NC(=O)[C@H](C)Nc2ccc(N=Nc3ccccc3)cc2)cc1 ZINC000005658966 205772326 /nfs/dbraw/zinc/77/23/26/205772326.db2.gz SISKQKLCJJHNAP-FBQNGNFFSA-N 0 0 386.455 5.744 40 10 GKCBRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000225059523 206035246 /nfs/dbraw/zinc/03/52/46/206035246.db2.gz SHXNVZNDKMUYTP-XMMPIXPASA-N 0 0 390.527 5.160 40 10 GKCBRN C[C@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225627670 206062408 /nfs/dbraw/zinc/06/24/08/206062408.db2.gz SQRQDYHRBPCKNC-RTWAWAEBSA-N 0 0 390.571 5.612 40 10 GKCBRN Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C ZINC000225667419 206065819 /nfs/dbraw/zinc/06/58/19/206065819.db2.gz TVQGHUNIQXODGD-APWZRJJASA-N 0 0 381.589 5.587 40 10 GKCBRN O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000033818228 206100096 /nfs/dbraw/zinc/10/00/96/206100096.db2.gz KYVCMIHQVMMDFV-QGOAFFKASA-N 0 0 385.375 5.368 40 10 GKCBRN O=C(c1ccccc1)c1ccc(Cl)cc1NC(=S)NCc1ccccc1 ZINC000256027822 206151118 /nfs/dbraw/zinc/15/11/18/206151118.db2.gz DZRRYLHTOZKIGU-UHFFFAOYSA-N 0 0 380.900 5.058 40 10 GKCBRN Cc1ccc2ccc([C@H](Nc3ccccc3F)c3cccc(F)c3)c(O)c2n1 ZINC000054200394 206210193 /nfs/dbraw/zinc/21/01/93/206210193.db2.gz YKZKHHDRPOTRHD-OAQYLSRUSA-N 0 0 376.406 5.729 40 10 GKCBRN C[C@H]1CCCCN1c1ccc(CNc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000226241937 206259426 /nfs/dbraw/zinc/25/94/26/206259426.db2.gz GWWCPTXBVGECLJ-KRWDZBQOSA-N 0 0 375.472 5.739 40 10 GKCBRN COc1cc([C@@H]2Nc3c4ccccc4ccc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC ZINC000004959495 211558586 /nfs/dbraw/zinc/55/85/86/211558586.db2.gz DGKGIADMRQEHSN-YDHSSHFGSA-N 0 0 387.479 5.692 40 10 GKCBRN COc1ccc(Br)cc1[C@H]1Nc2ccc(Cl)cc2[C@H]2C=CC[C@H]21 ZINC000004828155 211549202 /nfs/dbraw/zinc/54/92/02/211549202.db2.gz OETMSCHDQYEHFZ-KSMMKXTCSA-N 0 0 390.708 5.938 40 10 GKCBRN CN1C(=O)/C(=C\C=C2/Sc3ccc(-c4ccccc4)cc3N2C)SC1=S ZINC000004892087 211554355 /nfs/dbraw/zinc/55/43/55/211554355.db2.gz ZUQQEQDSMQBRQI-VJTUXUFQSA-N 0 0 396.562 5.111 40 10 GKCBRN O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@@H](c1ccccc1)[C@@H]1CC=C[C@H]21 ZINC000004501948 206523819 /nfs/dbraw/zinc/52/38/19/206523819.db2.gz QZQQJAYREODZAK-MZKRTTBSSA-N 0 0 385.894 6.398 40 10 GKCBRN Cc1ccc(/N=N\c2ccc(C)cc2NC(=O)c2cccc3ccccc32)cc1 ZINC000104163226 211432935 /nfs/dbraw/zinc/43/29/35/211432935.db2.gz RNYVXTDZJNESKA-DQSJHHFOSA-N 0 0 379.463 7.124 40 10 GKCBRN CCOc1c(/N=N/c2cccc(Cl)c2)c(-c2ccccc2)nn1C(N)=S ZINC000017140026 207086744 /nfs/dbraw/zinc/08/67/44/207086744.db2.gz RRHOSVXBCCKFCJ-QURGRASLSA-N 0 0 385.880 5.109 40 10 GKCBRN CCCCCOc1ccc(C(=O)Oc2ccc(/N=N/c3nccs3)cc2)cc1 ZINC000018069116 207092137 /nfs/dbraw/zinc/09/21/37/207092137.db2.gz XHATUQLIMYFAQU-WCWDXBQESA-N 0 0 395.484 6.347 40 10 GKCBRN CCN1CCCc2cc([C@H]3c4ccccc4C=CN3C(=O)c3ccccc3)ccc21 ZINC000022114855 207247726 /nfs/dbraw/zinc/24/77/26/207247726.db2.gz OIGZLRZVZOSSFE-SANMLTNESA-N 0 0 394.518 5.675 40 10 GKCBRN CCN1c2ccccc2C(C)(C)/C1=C\C=C\[C@@H]1N(CC)c2ccccc2C1(C)C ZINC000065740269 207876405 /nfs/dbraw/zinc/87/64/05/207876405.db2.gz LCCNORCLQFTDDF-SKNFHSHJSA-N 0 0 386.583 6.431 40 10 in-vitro GKCBRN Cc1cc(/N=N/c2cc(/N=N\c3cc(C)c(N)cc3N)ccc2C)c(N)cc1N ZINC000100254508 208375163 /nfs/dbraw/zinc/37/51/63/208375163.db2.gz SOJKLCSQJMPLCK-CMFFYZNBSA-N 0 0 388.479 5.771 40 10 GKCBRN CCOc1c(/N=N\c2ccc(Cl)cc2)c(-c2ccccc2)nn1C(N)=S ZINC000104230974 208430084 /nfs/dbraw/zinc/43/00/84/208430084.db2.gz QSSOZTGGGRNMRM-DQRAZIAOSA-N 0 0 385.880 5.109 40 10 GKCBRN COc1cc(-c2ccc(NN=C3c4ccccc4C=CC3=O)c(OC)c2)ccc1N ZINC000104389130 208430257 /nfs/dbraw/zinc/43/02/57/208430257.db2.gz KZHDDTLJIIZUIV-CYYJNZCTSA-N 0 0 399.450 6.227 40 10 GKCBRN CCCC(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1c(O)ccc2ccccc21 ZINC000004957192 208547092 /nfs/dbraw/zinc/54/70/92/208547092.db2.gz XCOULJSXOKDHCG-NRFANRHFSA-N 0 0 388.294 5.858 40 10 GKCBRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1cccc(CN2CCCC2=O)c1 ZINC000021586873 208824797 /nfs/dbraw/zinc/82/47/97/208824797.db2.gz VGNPNVUYIKJEIU-CYYJNZCTSA-N 0 0 398.466 5.477 40 10 GKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C(C)(C)C)cc1)[C@@H]1CC=C[C@@H]21 ZINC000409163022 533132468 /nfs/dbraw/zinc/13/24/68/533132468.db2.gz KTNKOVBDURIMOU-DBXWQHBBSA-N 0 0 378.472 5.727 40 10 GKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@@H]21 ZINC000409171449 533132624 /nfs/dbraw/zinc/13/26/24/533132624.db2.gz BNOQFHQIWBQQOW-VFVRVIDISA-N 0 0 390.361 5.449 40 10 GKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000111440717 533132752 /nfs/dbraw/zinc/13/27/52/533132752.db2.gz JUZGYFWKGIPEEI-VFVRVIDISA-N 0 0 391.254 5.737 40 10 GKCBRN CCCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000002965783 220591018 /nfs/dbraw/zinc/59/10/18/220591018.db2.gz URLGHWPDUVWLJC-JQVVWYNYSA-N 0 0 392.455 5.378 40 10 GKCBRN O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000004866029 220780000 /nfs/dbraw/zinc/78/00/00/220780000.db2.gz KYVCMIHQVMMDFV-AQTBWJFISA-N 0 0 385.375 5.368 40 10 GKCBRN O=[N+]([O-])c1ccc(N=Nc2c(O)c3ccccc3c3ccccc32)c([N+](=O)[O-])c1 ZINC000254525865 209046541 /nfs/dbraw/zinc/04/65/41/209046541.db2.gz WIWQKZWDFCJGQY-UHFFFAOYSA-N 0 0 388.339 5.930 40 10 GKCBRN CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O ZINC000009263002 221076221 /nfs/dbraw/zinc/07/62/21/221076221.db2.gz OZTAVZLLLUVQMQ-CPNJWEJPSA-N 0 0 382.529 5.448 40 10 GKCBRN c1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccccc4)cc3)cc2)cc1 ZINC000013403598 221267795 /nfs/dbraw/zinc/26/77/95/221267795.db2.gz CLMOIOFSZOQWIZ-BHYDKEGGSA-N 0 0 390.450 8.933 40 10 GKCBRN Cc1ccccc1N=Nc1ccc(NN=C2C=CC(=O)c3ccccc32)c(C)c1 ZINC000018141382 221388935 /nfs/dbraw/zinc/38/89/35/221388935.db2.gz NRXZKGUYCKGZKF-PAMTUDGESA-N 0 0 380.451 7.993 40 10 GKCBRN CCn1c2ccccc2c2cc(N)c(/N=N/c3ccc([N+](=O)[O-])c(OC)c3)cc21 ZINC000018166395 221389012 /nfs/dbraw/zinc/38/90/12/221389012.db2.gz IYOHVPGSAUKUMT-WCWDXBQESA-N 0 0 389.415 5.729 40 10 GKCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 ZINC000408770325 533267508 /nfs/dbraw/zinc/26/75/08/533267508.db2.gz WEXMPKAUHHRLDH-QNGOZBTKSA-N 0 0 389.495 5.170 40 10 GKCBRN COC(=O)C1=C(C)N(c2cccc3ccccc32)C(=O)/C1=C\c1ccc(C)cc1 ZINC000408532768 533269053 /nfs/dbraw/zinc/26/90/53/533269053.db2.gz VTULBIPTDDNFTA-QNGOZBTKSA-N 0 0 383.447 5.025 40 10 GKCBRN COc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F ZINC000408968840 533338687 /nfs/dbraw/zinc/33/86/87/533338687.db2.gz BZSDSNLAJGDIQX-AQTBWJFISA-N 0 0 396.368 5.197 40 10 GKCBRN COc1cccc(/C=C2\C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)c1O ZINC000409053694 533387286 /nfs/dbraw/zinc/38/72/86/533387286.db2.gz OIZYCZBOCOFUOO-NBVRZTHBSA-N 0 0 386.403 5.174 40 10 GKCBRN COc1ccc(C2=N/C(=C/c3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408840791 533430827 /nfs/dbraw/zinc/43/08/27/533430827.db2.gz FYIBKESRVNZDAP-XQNSMLJCSA-N 0 0 382.463 5.147 40 10 GKCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1C ZINC000409332525 533475039 /nfs/dbraw/zinc/47/50/39/533475039.db2.gz PYWAJEHNVLLMST-YBEGLDIGSA-N 0 0 375.902 5.063 40 10 GKCBRN COc1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)c1 ZINC000408737741 533574911 /nfs/dbraw/zinc/57/49/11/533574911.db2.gz GGIJRDMCQNUZGP-XMHGGMMESA-N 0 0 387.866 5.820 40 10 GKCBRN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)c1 ZINC000408983377 533670657 /nfs/dbraw/zinc/67/06/57/533670657.db2.gz BLIBDYZZGGAOJA-RCCKNPSSSA-N 0 0 385.894 6.428 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc2c(cc1C)N(C)C(C)(C)C=C2C ZINC000208450730 136202774 /nfs/dbraw/zinc/20/27/74/136202774.db2.gz XWCDERNWIDDVCH-HYARGMPZSA-N 0 0 385.511 5.433 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc2c(cc1C)N(C)C(C)(C)C[C@@H]2C ZINC000208235200 136202799 /nfs/dbraw/zinc/20/27/99/136202799.db2.gz DBUKKVFXAVPMAQ-NIZGNDASSA-N 0 0 387.527 5.523 40 10 GKCBRN CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc21 ZINC000208443537 136202804 /nfs/dbraw/zinc/20/28/04/136202804.db2.gz JZVJUKCTAHRTNJ-MOSHPQCFSA-N 0 0 390.508 5.559 40 10 GKCBRN CC1=CC(C)(C)N(C)c2ccc(C=C3SC(Nc4ccccc4)=NC3=O)cc21 ZINC000208446843 136202860 /nfs/dbraw/zinc/20/28/60/136202860.db2.gz IQEJEDXRYWXWEU-MOSHPQCFSA-N 0 0 389.524 5.401 40 10 GKCBRN C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000217858481 136203425 /nfs/dbraw/zinc/20/34/25/136203425.db2.gz MLWKOVBFWZLVLD-LJQANCHMSA-N 0 0 378.560 5.711 40 10 GKCBRN C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000217858547 136203442 /nfs/dbraw/zinc/20/34/42/136203442.db2.gz MLWKOVBFWZLVLD-IBGZPJMESA-N 0 0 378.560 5.711 40 10 GKCBRN Cc1ccc(SCCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218148916 136203589 /nfs/dbraw/zinc/20/35/89/136203589.db2.gz WROGIVXIIFAXBQ-FQEVSTJZSA-N 0 0 396.600 5.591 40 10 GKCBRN Cc1ccc(SCCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218148992 136203594 /nfs/dbraw/zinc/20/35/94/136203594.db2.gz WROGIVXIIFAXBQ-HXUWFJFHSA-N 0 0 396.600 5.591 40 10 GKCBRN C[C@@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218058547 136203595 /nfs/dbraw/zinc/20/35/95/136203595.db2.gz PMPVZDADXJLBQV-GUDVDZBRSA-N 0 0 382.573 5.281 40 10 GKCBRN Cc1ccccc1CSCC(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000218016421 136203605 /nfs/dbraw/zinc/20/36/05/136203605.db2.gz LEXBVSLACBRNOA-HXUWFJFHSA-N 0 0 396.600 5.342 40 10 GKCBRN CC(C)c1ccc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218962525 136203945 /nfs/dbraw/zinc/20/39/45/136203945.db2.gz BTADTUZXUWWXOA-WOJBJXKFSA-N 0 0 394.559 5.303 40 10 GKCBRN Cc1cc(C)c(C)c(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000218969210 136203950 /nfs/dbraw/zinc/20/39/50/136203950.db2.gz NUMRLYFOXLLNPC-UTKZUKDTSA-N 0 0 394.559 5.104 40 10 GKCBRN Cc1ccc(C)c(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000219071766 136203978 /nfs/dbraw/zinc/20/39/78/136203978.db2.gz FAJAWXUTHWXWIW-HLAWJBBLSA-N 0 0 394.559 5.184 40 10 GKCBRN Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000219071835 136204008 /nfs/dbraw/zinc/20/40/08/136204008.db2.gz FAJAWXUTHWXWIW-NRSPTQNISA-N 0 0 394.559 5.184 40 10 GKCBRN CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219317337 136204119 /nfs/dbraw/zinc/20/41/19/136204119.db2.gz KUJORZKNIFNSQZ-GBXCKJPGSA-N 0 0 394.559 5.266 40 10 GKCBRN CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219317553 136204129 /nfs/dbraw/zinc/20/41/29/136204129.db2.gz WLYFEMUVLZVDLH-REHUZNOOSA-N 0 0 394.559 5.266 40 10 GKCBRN Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1C ZINC000219309875 136204131 /nfs/dbraw/zinc/20/41/31/136204131.db2.gz HYFSQWLRAMTBPI-SFTDATJTSA-N 0 0 394.559 5.184 40 10 GKCBRN Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1C ZINC000219310034 136204136 /nfs/dbraw/zinc/20/41/36/136204136.db2.gz IQHWNWMGMVKYFD-JRGCBEDISA-N 0 0 394.559 5.184 40 10 GKCBRN CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219317521 136204170 /nfs/dbraw/zinc/20/41/70/136204170.db2.gz WLYFEMUVLZVDLH-YOSAUDMPSA-N 0 0 394.559 5.266 40 10 GKCBRN Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000219549336 136204201 /nfs/dbraw/zinc/20/42/01/136204201.db2.gz ZNZZMNJPXFGHNG-QMMLZNLJSA-N 0 0 394.559 5.184 40 10 GKCBRN CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219580180 136204202 /nfs/dbraw/zinc/20/42/02/136204202.db2.gz MVUQGMXUSBDQGI-AVRDEDQJSA-N 0 0 398.522 5.097 40 10 GKCBRN Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C ZINC000219517854 136204229 /nfs/dbraw/zinc/20/42/29/136204229.db2.gz LNEIWOMEMSFWTF-QMMLZNLJSA-N 0 0 394.559 5.184 40 10 GKCBRN Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000219549489 136204263 /nfs/dbraw/zinc/20/42/63/136204263.db2.gz ZNZZMNJPXFGHNG-UIFIKXQLSA-N 0 0 394.559 5.184 40 10 GKCBRN Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c(C)c1 ZINC000219533284 136204272 /nfs/dbraw/zinc/20/42/72/136204272.db2.gz QJSDGFDFUFJYBL-NHCUHLMSSA-N 0 0 394.559 5.184 40 10 GKCBRN Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c(C)c1 ZINC000219533208 136204288 /nfs/dbraw/zinc/20/42/88/136204288.db2.gz QJSDGFDFUFJYBL-RTWAWAEBSA-N 0 0 394.559 5.184 40 10 GKCBRN CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219580619 136204290 /nfs/dbraw/zinc/20/42/90/136204290.db2.gz SQIVWZMUVXQKAN-HMFYCAOWSA-N 0 0 398.522 5.097 40 10 GKCBRN Cc1cc(C)cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000219549419 136204302 /nfs/dbraw/zinc/20/43/02/136204302.db2.gz ZNZZMNJPXFGHNG-JRGCBEDISA-N 0 0 394.559 5.184 40 10 GKCBRN C[C@H](NC(=O)CCc1ccccc1Cl)c1ccc(N2CCC(C)CC2)cc1 ZINC000220018638 136204519 /nfs/dbraw/zinc/20/45/19/136204519.db2.gz MQAMIKLUCBTDAL-SFHVURJKSA-N 0 0 384.951 5.386 40 10 GKCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCCC4)cc3)N21 ZINC000222690865 136204953 /nfs/dbraw/zinc/20/49/53/136204953.db2.gz XFMSHWWJZBWOAE-VLCRHTCISA-N 0 0 392.572 5.051 40 10 GKCBRN CC(C)c1ccccc1OCC(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000222812205 136204993 /nfs/dbraw/zinc/20/49/93/136204993.db2.gz UCXONHJONZGICT-FQEVSTJZSA-N 0 0 394.559 5.303 40 10 GKCBRN Cc1cccc(CSCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000222745135 136205065 /nfs/dbraw/zinc/20/50/65/136205065.db2.gz BXVUOOOBAQCEAC-UXHICEINSA-N 0 0 396.600 5.342 40 10 GKCBRN CC(C)c1ccccc1OCC(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000222812259 136205067 /nfs/dbraw/zinc/20/50/67/136205067.db2.gz UCXONHJONZGICT-HXUWFJFHSA-N 0 0 394.559 5.303 40 10 GKCBRN CC(C)c1ccccc1OCC(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000222812355 136205072 /nfs/dbraw/zinc/20/50/72/136205072.db2.gz CEOCPJHNWLDHJJ-UXHICEINSA-N 0 0 394.559 5.303 40 10 GKCBRN C[C@@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000222933172 136205266 /nfs/dbraw/zinc/20/52/66/136205266.db2.gz FCOSFYWQYQUDDV-HZPDHXFCSA-N 0 0 388.914 5.135 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)C(C)=CC(C)(C)N2C(C)C ZINC000223482604 136205816 /nfs/dbraw/zinc/20/58/16/136205816.db2.gz CVTQNJYVFFVQFO-HZHRSRAPSA-N 0 0 399.538 5.903 40 10 GKCBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)cc21 ZINC000223493028 136205877 /nfs/dbraw/zinc/20/58/77/136205877.db2.gz JLXVTHCIXGXONC-ODLFYWEKSA-N 0 0 384.545 5.542 40 10 GKCBRN CC(C)N1C(=O)S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C1=O ZINC000223564869 136205878 /nfs/dbraw/zinc/20/58/78/136205878.db2.gz ZCZICKXNYNYZTQ-MXDDHBLUSA-N 0 0 386.561 5.632 40 10 GKCBRN CCN1CCc2cc([C@@H]3c4ccccc4C=CN3C(=O)c3ccccc3)ccc21 ZINC000022114894 221553584 /nfs/dbraw/zinc/55/35/84/221553584.db2.gz IMGFUGFKGOAOQO-RUZDIDTESA-N 0 0 380.491 5.285 40 10 GKCBRN Cc1ccc(C)n1-c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000058850440 533721306 /nfs/dbraw/zinc/72/13/06/533721306.db2.gz KHWYSVWGDZUKBC-UHFFFAOYSA-N 0 0 395.311 5.202 40 10 GKCBRN COc1cccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)c1OC ZINC000409164916 533760797 /nfs/dbraw/zinc/76/07/97/533760797.db2.gz PQMJPNNCQXFKHM-FHSNZYRGSA-N 0 0 386.289 5.293 40 10 GKCBRN Cc1cc(Cl)cc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000409163721 533772433 /nfs/dbraw/zinc/77/24/33/533772433.db2.gz WWVFZBZYFRIMLX-LPMFXHHGSA-N 0 0 375.255 6.037 40 10 GKCBRN COc1ccc(Cl)c2c1N[C@@H](c1ccc3c4c(cccc41)CC3)[C@H]1CC=C[C@@H]21 ZINC000408736910 533830392 /nfs/dbraw/zinc/83/03/92/533830392.db2.gz CNTLMTSCQZCWSG-NXMSCROESA-N 0 0 387.910 6.427 40 10 GKCBRN COc1ccc(Cl)c2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21 ZINC000409156316 533830793 /nfs/dbraw/zinc/83/07/93/533830793.db2.gz NSJPYJANTHAZFL-HBUWYVDXSA-N 0 0 390.708 5.938 40 10 GKCBRN COc1ccc(Cl)c2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 ZINC000409170354 533830918 /nfs/dbraw/zinc/83/09/18/533830918.db2.gz UMQRTHIGJFLKIV-DDBGAENHSA-N 0 0 380.702 6.482 40 10 GKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)cn1 ZINC000408737551 533993716 /nfs/dbraw/zinc/99/37/16/533993716.db2.gz DBPDNMYPMGBBAW-QGOAFFKASA-N 0 0 388.854 5.215 40 10 GKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2ccc(C)cc2)cc1 ZINC000408841806 533994320 /nfs/dbraw/zinc/99/43/20/533994320.db2.gz HRZYVHRCJORMRJ-XQNSMLJCSA-N 0 0 382.463 5.147 40 10 GKCBRN COc1ccccc1C1=N/C(=C/c2ccc(C)cc2)C(=O)N1c1ccc(C)cc1 ZINC000408841076 534002152 /nfs/dbraw/zinc/00/21/52/534002152.db2.gz HLMBPKXSDXLXIB-CJLVFECKSA-N 0 0 382.463 5.147 40 10 GKCBRN COc1ccccc1C1=N/C(=C/c2cccs2)C(=O)N1c1ccc(Cl)cc1 ZINC000408846512 534004922 /nfs/dbraw/zinc/00/49/22/534004922.db2.gz SSRUHRJQMWDUMC-QGOAFFKASA-N 0 0 394.883 5.245 40 10 GKCBRN COc1ccc(N2N=C(C)C(=C(C)Nc3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000112122814 534020792 /nfs/dbraw/zinc/02/07/92/534020792.db2.gz FRWWVAXBAFPWPF-WQRHYEAKSA-N 0 0 390.270 5.111 40 10 GKCBRN COc1ccc(N2N=C(C)C(=C(C)Nc3ccccc3-c3ccccc3)C2=O)cc1 ZINC000112124728 534021363 /nfs/dbraw/zinc/02/13/63/534021363.db2.gz KGXDSDOLIAWJCX-ULJHMMPZSA-N 0 0 397.478 5.471 40 10 GKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000409169679 534064544 /nfs/dbraw/zinc/06/45/44/534064544.db2.gz QYRLTZCCBAOPNX-CKNLXJGOSA-N 0 0 387.401 5.627 40 10 GKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000409161604 534064919 /nfs/dbraw/zinc/06/49/19/534064919.db2.gz WMYPBDMGCRPFAI-ARGWCVDVSA-N 0 0 398.846 5.170 40 10 GKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(F)(F)F)N2 ZINC000409169677 534065310 /nfs/dbraw/zinc/06/53/10/534065310.db2.gz QYRLTZCCBAOPNX-ARGWCVDVSA-N 0 0 387.401 5.627 40 10 GKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)C)cc1)N2 ZINC000409170691 534162547 /nfs/dbraw/zinc/16/25/47/534162547.db2.gz WRNWKFRGVIBHHX-CBGDNZLLSA-N 0 0 381.903 6.077 40 10 GKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(C)C)cc1)N2 ZINC000409170693 534163554 /nfs/dbraw/zinc/16/35/54/534163554.db2.gz WRNWKFRGVIBHHX-LZJOCLMNSA-N 0 0 381.903 6.077 40 10 GKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2 ZINC000409170694 534163594 /nfs/dbraw/zinc/16/35/94/534163594.db2.gz WRNWKFRGVIBHHX-WWMYMODYSA-N 0 0 381.903 6.077 40 10 GKCBRN Cc1ccc(-n2cccc2/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000408960752 534240144 /nfs/dbraw/zinc/24/01/44/534240144.db2.gz INHCUSMAPFPGCK-XMHGGMMESA-N 0 0 376.506 5.192 40 10 GKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 ZINC000409154772 534250901 /nfs/dbraw/zinc/25/09/01/534250901.db2.gz PUVYABRNZRSANM-CKNLXJGOSA-N 0 0 388.294 5.915 40 10 GKCBRN COC(=O)c1cccc2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 ZINC000408736281 534286057 /nfs/dbraw/zinc/28/60/57/534286057.db2.gz PCIXKEZDEOTPFH-VKJFTORMSA-N 0 0 384.273 5.062 40 10 GKCBRN O=C(Nc1cccc(Cl)c1)c1ccc2nc3ccc4ccccc4c3nc2c1 ZINC000408722732 534346840 /nfs/dbraw/zinc/34/68/40/534346840.db2.gz WQKQZDQPWZMWGW-UHFFFAOYSA-N 0 0 383.838 5.842 40 10 GKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000409163210 534419522 /nfs/dbraw/zinc/41/95/22/534419522.db2.gz NQEOOSDZVOGYQB-IGCXYCKISA-N 0 0 384.228 6.839 40 10 GKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000409172337 534419950 /nfs/dbraw/zinc/41/99/50/534419950.db2.gz COKITBRWQGBWJV-PBFPGSCMSA-N 0 0 384.228 6.839 40 10 GKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc31)N2 ZINC000409156359 534420535 /nfs/dbraw/zinc/42/05/35/534420535.db2.gz NNLBSDYVTDXORS-QLVMHMETSA-N 0 0 399.843 7.339 40 10 GKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc31)N2 ZINC000409156335 534420602 /nfs/dbraw/zinc/42/06/02/534420602.db2.gz NNLBSDYVTDXORS-CEQIKUNHSA-N 0 0 399.843 7.339 40 10 GKCBRN Cc1ccsc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O ZINC000409344291 534456427 /nfs/dbraw/zinc/45/64/27/534456427.db2.gz INUMGQOHBAJVFM-QPEQYQDCSA-N 0 0 386.350 5.769 40 10 GKCBRN Cc1cccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)c1 ZINC000408720851 534549711 /nfs/dbraw/zinc/54/97/11/534549711.db2.gz FVRCFOBHXQVFJZ-CPNJWEJPSA-N 0 0 377.490 5.661 40 10 GKCBRN Cc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)n1 ZINC000409346851 534575186 /nfs/dbraw/zinc/57/51/86/534575186.db2.gz OSDGNUNFMUBVFU-AUWJEWJLSA-N 0 0 381.309 5.103 40 10 GKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 ZINC000409167106 534631251 /nfs/dbraw/zinc/63/12/51/534631251.db2.gz GTZIKCKCBBWKSR-QWQRMKEZSA-N 0 0 395.127 6.582 40 10 GKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@H]21 ZINC000409167103 534631319 /nfs/dbraw/zinc/63/13/19/534631319.db2.gz GTZIKCKCBBWKSR-PMUMKWKESA-N 0 0 395.127 6.582 40 10 GKCBRN O=C1NC(=O)C(=CC2=CC(=NNc3cccc4ccccc43)C=CC2=O)S1 ZINC000408725685 534785446 /nfs/dbraw/zinc/78/54/46/534785446.db2.gz NPSKMVGGIXYNOZ-OUNVDXJTSA-N 0 0 375.409 5.285 40 10 GKCBRN O=C1OC(c2ccc(Cl)cc2)=C/C1=C/c1cc(Cl)cc(Cl)c1Cl ZINC000408741250 534805125 /nfs/dbraw/zinc/80/51/25/534805125.db2.gz HTHPKQRQABYNDQ-WZUFQYTHSA-N 0 0 386.061 6.282 40 10 GKCBRN O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1ccccc1[N+](=O)[O-] ZINC000409051331 534805271 /nfs/dbraw/zinc/80/52/71/534805271.db2.gz CEWHRHSFMUSCHY-NBVRZTHBSA-N 0 0 385.375 5.368 40 10 GKCBRN O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1c(O)ccc2ccccc21 ZINC000408722937 534805463 /nfs/dbraw/zinc/80/54/63/534805463.db2.gz OPYYZOLNIOFXPL-RVDMUPIBSA-N 0 0 393.236 5.289 40 10 GKCBRN Cc1ccccc1N1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)SC1=S ZINC000409329731 534820869 /nfs/dbraw/zinc/82/08/69/534820869.db2.gz HMQPXSHTEXKCGR-XMHGGMMESA-N 0 0 380.538 5.001 40 10 GKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@@H]32)ccc1Cl ZINC000409152509 534880462 /nfs/dbraw/zinc/88/04/62/534880462.db2.gz JDSSGHYUVJLLRN-VBHSOAQHSA-N 0 0 394.780 6.094 40 10 GKCBRN CC(C)(C)c1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000409173819 526790435 /nfs/dbraw/zinc/79/04/35/526790435.db2.gz KNEIPRMEVFLVMM-HLIPFELVSA-N 0 0 382.345 6.573 40 10 GKCBRN CC(=O)c1ccc(N2C(=O)C(=Cc3ccccc3)C=C2c2ccc(Cl)cc2)cc1 ZINC000408985019 527288007 /nfs/dbraw/zinc/28/80/07/527288007.db2.gz KJVBBHVYLYVECY-RCCKNPSSSA-N 0 0 399.877 6.014 40 10 GKCBRN CC(Nc1ccccc1-c1ccccc1)=C1C(C)=NN(c2ccc(F)cc2)C1=O ZINC000112121816 527540647 /nfs/dbraw/zinc/54/06/47/527540647.db2.gz RELUJCJSWVJALK-KQWNVCNZSA-N 0 0 385.442 5.601 40 10 GKCBRN CC(C)c1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(C(C)C)c1O ZINC000408855883 528007181 /nfs/dbraw/zinc/00/71/81/528007181.db2.gz GIAWQRVCXVYKGP-XDHOZWIPSA-N 0 0 397.565 6.045 40 10 GKCBRN CC(C)c1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000059459807 528056906 /nfs/dbraw/zinc/05/69/06/528056906.db2.gz CDNWVQXKMBUEIX-BOPFTXTBSA-N 0 0 384.482 5.124 40 10 GKCBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(Cl)cc1C ZINC000112121690 528065431 /nfs/dbraw/zinc/06/54/31/528065431.db2.gz RXIBBLOZSJSYLF-ZHZULCJRSA-N 0 0 385.870 5.676 40 10 GKCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(C)cc1C ZINC000112123485 528065883 /nfs/dbraw/zinc/06/58/83/528065883.db2.gz PKQOBMHEYKNYDO-PGMHBOJBSA-N 0 0 392.459 5.100 40 10 GKCBRN CC(C)COC(=O)N1CCC[C@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000408998885 528072048 /nfs/dbraw/zinc/07/20/48/528072048.db2.gz PFVMVYIKQVHXIX-VQERKYHCSA-N 0 0 394.475 5.298 40 10 GKCBRN CC(C)Oc1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1 ZINC000408742804 528131066 /nfs/dbraw/zinc/13/10/66/528131066.db2.gz PYGUYOJEOORCRW-LFIBNONCSA-N 0 0 385.257 5.218 40 10 GKCBRN CC(C)c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409152642 528137286 /nfs/dbraw/zinc/13/72/86/528137286.db2.gz FSXIGBADLMNPPA-UWVAXJGDSA-N 0 0 386.308 6.538 40 10 GKCBRN CC(C)c1ccc([C@H](CC(=O)C(C)(C)C)C2C(=O)c3ccccc3C2=O)cc1 ZINC000105419090 528141625 /nfs/dbraw/zinc/14/16/25/528141625.db2.gz ZMMNLPFHWFWHFQ-FQEVSTJZSA-N 0 0 376.496 5.594 40 10 GKCBRN CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1=CNc1c(C)cccc1C ZINC000408534320 528145716 /nfs/dbraw/zinc/14/57/16/528145716.db2.gz QHLYQZMPMVCGMF-BOPFTXTBSA-N 0 0 398.304 5.093 40 10 GKCBRN CC1=NN(c2ccc(Br)c(C)c2C)C(=O)C1=CNc1ccccc1C ZINC000408532277 528146130 /nfs/dbraw/zinc/14/61/30/528146130.db2.gz QDDYGVKBDAUNDX-WJDWOHSUSA-N 0 0 398.304 5.093 40 10 GKCBRN CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1=CNc1ccc(C)cc1C ZINC000408536285 528146225 /nfs/dbraw/zinc/14/62/25/528146225.db2.gz VTMNBDHFWYBSKK-BOPFTXTBSA-N 0 0 398.304 5.093 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000408963198 528151513 /nfs/dbraw/zinc/15/15/13/528151513.db2.gz ATCNSISJQDSYNV-ZHZULCJRSA-N 0 0 395.384 5.302 40 10 GKCBRN CCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O ZINC000408968575 528175964 /nfs/dbraw/zinc/17/59/64/528175964.db2.gz XMLSMKGFHJMKIZ-ZHZULCJRSA-N 0 0 396.556 5.838 40 10 GKCBRN CCCN1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cccc3CC)c2C)C1=O ZINC000408961674 528176040 /nfs/dbraw/zinc/17/60/40/528176040.db2.gz UNRMRJIBHNWUSB-UYRXBGFRSA-N 0 0 382.529 5.411 40 10 GKCBRN CCOc1cc(/C=C2\C=C(c3ccccc3)OC2=O)ccc1OCc1ccccc1 ZINC000409051707 528197621 /nfs/dbraw/zinc/19/76/21/528197621.db2.gz FSVAZAOADHYBPO-PXLXIMEGSA-N 0 0 398.458 5.646 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21 ZINC000409166457 528258024 /nfs/dbraw/zinc/25/80/24/528258024.db2.gz DSYBBCOIJZAJGH-TYILLQQXSA-N 0 0 387.401 5.709 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000409162810 528258280 /nfs/dbraw/zinc/25/82/80/528258280.db2.gz IEFINCNARWPRPL-PJIJBLCYSA-N 0 0 398.846 5.251 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 ZINC000409168988 528258657 /nfs/dbraw/zinc/25/86/57/528258657.db2.gz OLTHJOQZNVGBLO-NQCMUKECSA-N 0 0 388.294 5.997 40 10 GKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000106703788 528292879 /nfs/dbraw/zinc/29/28/79/528292879.db2.gz HLIKMWZICWQPLH-ZHZULCJRSA-N 0 0 380.513 5.078 40 10 GKCBRN CCN(CC)c1ccc(/C=C2/N=C(C34CC5CC(CC(C5)C3)C4)OC2=O)cc1 ZINC000408976112 528293530 /nfs/dbraw/zinc/29/35/30/528293530.db2.gz PMMAPHSCPIBWTP-CIAFOILYSA-N 0 0 378.516 5.045 40 10 GKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3F)C2=O)cc1 ZINC000408984590 528370165 /nfs/dbraw/zinc/37/01/65/528370165.db2.gz IJHYDUUYCXCNPZ-CAPFRKAQSA-N 0 0 385.438 5.696 40 10 GKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3C)C2=O)cc1 ZINC000408984335 528370417 /nfs/dbraw/zinc/37/04/17/528370417.db2.gz GWPDNOMZQZIQRC-OQKWZONESA-N 0 0 381.475 5.865 40 10 GKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000408983828 528370451 /nfs/dbraw/zinc/37/04/51/528370451.db2.gz DEKACXHKOBGJQE-HAVVHWLPSA-N 0 0 395.502 6.173 40 10 GKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccc(C)cc2)cc1 ZINC000408764407 528482237 /nfs/dbraw/zinc/48/22/37/528482237.db2.gz RTKUIQSNKANXPE-RCCKNPSSSA-N 0 0 388.492 5.290 40 10 GKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccc(C)cc2)cc1 ZINC000408763315 528482586 /nfs/dbraw/zinc/48/25/86/528482586.db2.gz ITPMKGCFZKLAMM-HAVVHWLPSA-N 0 0 382.463 5.228 40 10 GKCBRN CCCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Cl ZINC000409044259 528612309 /nfs/dbraw/zinc/61/23/09/528612309.db2.gz UZIYXICLKBBTGU-MHWRWJLKSA-N 0 0 389.282 5.588 40 10 GKCBRN CCOc1cccc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)c1 ZINC000409330272 528627134 /nfs/dbraw/zinc/62/71/34/528627134.db2.gz KKXUJAKXFJSXPT-BOPFTXTBSA-N 0 0 387.551 5.213 40 10 GKCBRN CCCOc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1OC ZINC000409346702 528641476 /nfs/dbraw/zinc/64/14/76/528641476.db2.gz NPDSGBNQIJTSRL-QGOAFFKASA-N 0 0 391.558 5.018 40 10 GKCBRN CCCOc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736210 528721982 /nfs/dbraw/zinc/72/19/82/528721982.db2.gz LNSVCPIRKVSKKT-LQWHRVPQSA-N 0 0 384.317 6.064 40 10 GKCBRN CCCOc1ccccc1/C=C1\SC(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000408600150 528767105 /nfs/dbraw/zinc/76/71/05/528767105.db2.gz VWSNBRPABQZMOC-UYRXBGFRSA-N 0 0 383.538 5.498 40 10 GKCBRN CCCOc1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000409092722 528767922 /nfs/dbraw/zinc/76/79/22/528767922.db2.gz WAMYNMHMBDAYPC-PYCFMQQDSA-N 0 0 382.463 5.310 40 10 GKCBRN CCCn1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)c2ccccc21 ZINC000409340018 528828159 /nfs/dbraw/zinc/82/81/59/528828159.db2.gz OSRUBWYBAUFDHF-MOSHPQCFSA-N 0 0 392.549 5.766 40 10 GKCBRN CCCn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21 ZINC000409339598 528828339 /nfs/dbraw/zinc/82/83/39/528828339.db2.gz WTWIRLTZEAJCQO-UYRXBGFRSA-N 0 0 378.522 5.457 40 10 GKCBRN CCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)SC1=S ZINC000409378792 528942991 /nfs/dbraw/zinc/94/29/91/528942991.db2.gz RYFPVFNFPLKHBQ-WJDWOHSUSA-N 0 0 391.970 5.712 40 10 GKCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)SC1=S ZINC000409378786 528943301 /nfs/dbraw/zinc/94/33/01/528943301.db2.gz RUVMHAPNQKMJMI-UNOMPAQXSA-N 0 0 384.570 5.439 40 10 GKCBRN CCN1C(=O)/C(=C\c2cn(Cc3ccc(C)cc3)c3ccccc23)SC1=S ZINC000113838335 528945256 /nfs/dbraw/zinc/94/52/56/528945256.db2.gz XMQHAIRWYXARCC-UDWIEESQSA-N 0 0 392.549 5.219 40 10 GKCBRN CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1=O ZINC000409106933 528953866 /nfs/dbraw/zinc/95/38/66/528953866.db2.gz QAIFKHOUWSRBMG-OQLLNIDSSA-N 0 0 395.311 5.457 40 10 GKCBRN CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2ccccc2OC)C1=O ZINC000409329080 529197536 /nfs/dbraw/zinc/19/75/36/529197536.db2.gz CLMTVBDSTROAKX-ITRAFESCSA-N 0 0 399.537 5.278 40 10 GKCBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C1=O ZINC000409021162 529350026 /nfs/dbraw/zinc/35/00/26/529350026.db2.gz YLWQDMBVJMLHBJ-IYSPOMMRSA-N 0 0 382.529 5.546 40 10 GKCBRN CC(C)Oc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218984953 534982910 /nfs/dbraw/zinc/98/29/10/534982910.db2.gz IMLALZVKMNOQBV-LJQANCHMSA-N 0 0 380.532 5.201 40 10 GKCBRN CCCOc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218982638 535257779 /nfs/dbraw/zinc/25/77/79/535257779.db2.gz XNKRZQDKWCRKTB-MOPGFXCFSA-N 0 0 380.532 5.203 40 10 GKCBRN CCCN1C(=O)S/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)C1=O ZINC000208469826 535346864 /nfs/dbraw/zinc/34/68/64/535346864.db2.gz UIHDVISFDQPWHM-MFOYZWKCSA-N 0 0 390.936 5.418 40 10 GKCBRN CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219595510 535817843 /nfs/dbraw/zinc/81/78/43/535817843.db2.gz CAWAOBYYIJPRTC-JXALWOEJSA-N 0 0 394.559 5.266 40 10 GKCBRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219327605 535817886 /nfs/dbraw/zinc/81/78/86/535817886.db2.gz RTIHKHIOMMFQCB-PMAPCBKXSA-N 0 0 398.522 5.097 40 10 GKCBRN COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1Cl ZINC000222722690 536751355 /nfs/dbraw/zinc/75/13/55/536751355.db2.gz LTQPTMJHQIZBNC-CVEARBPZSA-N 0 0 386.923 5.076 40 10 GKCBRN CCN(CC)c1ccc(NC2=NC(=O)C(=Cc3c[nH]c4ccccc34)S2)cc1 ZINC000020227568 570249146 /nfs/dbraw/zinc/24/91/46/570249146.db2.gz OXLNWCUIIOLIIS-DEDYPNTBSA-N 0 0 390.512 5.097 40 10 GKCBRN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1cccc(Nc2ccccc2)c1 ZINC000100929740 570279487 /nfs/dbraw/zinc/27/94/87/570279487.db2.gz KOHTWECUAIESAP-KQWNVCNZSA-N 0 0 382.467 5.457 40 10 GKCBRN CCCCc1ccc(NC2=NC(=O)C(=Cc3c[nH]c4ccccc34)S2)cc1 ZINC000101143978 570281181 /nfs/dbraw/zinc/28/11/81/570281181.db2.gz NAVTWMZPVFNTPU-MOSHPQCFSA-N 0 0 375.497 5.593 40 10 GKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 ZINC000020711344 570281339 /nfs/dbraw/zinc/28/13/39/570281339.db2.gz UVDQGVKZCUWINE-DDBGAENHSA-N 0 0 391.254 5.737 40 10 GKCBRN Cc1ccccc1N=Nc1c(-c2ccccc2)nn(C(N)=S)c1-c1ccccc1 ZINC000104115279 570297754 /nfs/dbraw/zinc/29/77/54/570297754.db2.gz YSHZJOPHSQPGCJ-QPLCGJKRSA-N 0 0 397.507 6.033 40 10 GKCBRN CSC(=S)n1nc(-c2ccccc2)c(/N=N\c2ccccc2[N+](=O)[O-])c1C ZINC000104223413 570299547 /nfs/dbraw/zinc/29/95/47/570299547.db2.gz MBKGMERGRONBGB-VXPUYCOJSA-N 0 0 397.485 5.678 40 10 GKCBRN CCOc1c(/N=N\c2ccc(Cl)cc2Cl)c(C)nn1C(=S)SC ZINC000104241083 570299886 /nfs/dbraw/zinc/29/98/86/570299886.db2.gz CBRFAWIRMOMAAG-ZCXUNETKSA-N 0 0 389.333 5.808 40 10 GKCBRN O=C1C=Cc2ccccc2C1=NNc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000104366412 570301934 /nfs/dbraw/zinc/30/19/34/570301934.db2.gz KESOSAWCVMRUDN-QPLCGJKRSA-N 0 0 378.387 5.736 40 10 GKCBRN COc1ccc(N2CCO[C@H]2c2ccn(-c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000216727155 570304822 /nfs/dbraw/zinc/30/48/22/570304822.db2.gz NRDGOBXTGROARA-FQEVSTJZSA-N 0 0 388.389 5.040 40 10 GKCBRN CN1CCCc2cc([C@H]3c4ccccc4C=CN3C(=O)c3ccccc3)ccc21 ZINC000022114839 570306056 /nfs/dbraw/zinc/30/60/56/570306056.db2.gz QRLFOEAOWZMSRQ-VWLOTQADSA-N 0 0 380.491 5.285 40 10 GKCBRN CCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)SC1=S ZINC000006144879 570313514 /nfs/dbraw/zinc/31/35/14/570313514.db2.gz BKOKJKRSNLUXQJ-LCYFTJDESA-N 0 0 397.999 5.774 40 10 GKCBRN Cc1ccc(C)n1-c1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 ZINC000072216792 570317870 /nfs/dbraw/zinc/31/78/70/570317870.db2.gz RVIGGNUNJDYJRP-QFIPXVFZSA-N 0 0 389.499 5.353 40 10 GKCBRN O=C1c2cccc(O)c2C(=O)c2c(Nc3cc(Cl)ccc3Cl)cccc21 ZINC000004610609 570387246 /nfs/dbraw/zinc/38/72/46/570387246.db2.gz CKNGUJPVMVIKTR-UHFFFAOYSA-N 0 0 384.218 5.218 40 10 GKCBRN COc1ccccc1/C=C1/N=C(c2cccc(C)c2)N(c2cccc(C)c2)C1=O ZINC000408754344 570392587 /nfs/dbraw/zinc/39/25/87/570392587.db2.gz JUSQOLAPVXPBFB-CJLVFECKSA-N 0 0 382.463 5.147 40 10 GKCBRN O=C1/C(=C\c2cccs2)N=C(c2ccccc2Cl)N1c1ccc(F)cc1 ZINC000408755593 570393611 /nfs/dbraw/zinc/39/36/11/570393611.db2.gz OSQMCHNGEDHFIG-LDADJPATSA-N 0 0 382.847 5.375 40 10 GKCBRN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1/C=C1/C(=O)N(c2cccc(C)c2)N=C1C ZINC000408755794 570393708 /nfs/dbraw/zinc/39/37/08/570393708.db2.gz FRZUFSLANWCFIB-OYKKKHCWSA-N 0 0 398.510 5.221 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccccc2)c1 ZINC000408756778 570394055 /nfs/dbraw/zinc/39/40/55/570394055.db2.gz XEYJQIFGHUWOTM-XIEYBQDHSA-N 0 0 388.470 5.983 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccccc2Cl)c1 ZINC000408757560 570394314 /nfs/dbraw/zinc/39/43/14/570394314.db2.gz ZXTGXLZCVZNTAI-KGENOOAVSA-N 0 0 390.845 5.622 40 10 GKCBRN O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2)N1c1ccc(F)cc1 ZINC000408757689 570394757 /nfs/dbraw/zinc/39/47/57/570394757.db2.gz BOBJJOHQZKPCNR-JJIBRWJFSA-N 0 0 392.433 5.813 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccc(F)cc2)c1 ZINC000408758044 570394906 /nfs/dbraw/zinc/39/49/06/570394906.db2.gz GAFGGSVPOGZHJG-XQNSMLJCSA-N 0 0 399.469 5.035 40 10 GKCBRN Cc1nn(-c2ccc(C)cc2C)c(C)c1/C=C1/C(=O)N(c2cccc(C)c2)N=C1C ZINC000408758134 570395232 /nfs/dbraw/zinc/39/52/32/570395232.db2.gz VSGHQPHKUYIRHS-UCQKPKSFSA-N 0 0 398.510 5.221 40 10 GKCBRN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1/C=C1/C(=O)N(c2ccc(C)cc2)N=C1C ZINC000408758175 570395332 /nfs/dbraw/zinc/39/53/32/570395332.db2.gz WKIMEJWYBYRVGD-OYKKKHCWSA-N 0 0 398.510 5.221 40 10 GKCBRN CCOc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408761389 570397070 /nfs/dbraw/zinc/39/70/70/570397070.db2.gz JPEULDKWCHRQFJ-CJLVFECKSA-N 0 0 386.426 5.059 40 10 GKCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2)N1c1ccc(Cl)cc1 ZINC000408759687 570397875 /nfs/dbraw/zinc/39/78/75/570397875.db2.gz JQJAKBFTPAIUIL-XSFVSMFZSA-N 0 0 376.818 5.314 40 10 GKCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2Cl)N1c1ccc(F)cc1 ZINC000408759390 570397963 /nfs/dbraw/zinc/39/79/63/570397963.db2.gz DFIHHTCIQFVUGX-DEDYPNTBSA-N 0 0 394.808 5.453 40 10 GKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccco3)C2=O)cc1 ZINC000408760351 570398096 /nfs/dbraw/zinc/39/80/96/570398096.db2.gz XBYDPJPMAHVPCX-LGMDPLHJSA-N 0 0 377.827 5.413 40 10 GKCBRN c1cc2cccc3c2c(c1)NC1(CCC2(CC1)Nc1cccc4cccc(c41)N2)N3 ZINC000004824645 570409163 /nfs/dbraw/zinc/40/91/63/570409163.db2.gz NCQQPRUQJZARLC-UHFFFAOYSA-N 0 0 392.506 6.335 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@H]21 ZINC000006963508 570409419 /nfs/dbraw/zinc/40/94/19/570409419.db2.gz NMJZWGJDQLUNBT-IQUTYRLHSA-N 0 0 375.255 6.037 40 10 GKCBRN CC/N=c1/scc(-c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)n1CC ZINC000102958813 570416786 /nfs/dbraw/zinc/41/67/86/570416786.db2.gz GLPWPRXAPFBNCD-ZBJSNUHESA-N 0 0 394.371 5.871 40 10 GKCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(C)n3-c3ccccc3)N21 ZINC000222718400 570422109 /nfs/dbraw/zinc/42/21/09/570422109.db2.gz PPUPRMQSGHTKLJ-ZPMCFJSWSA-N 0 0 388.540 5.160 40 10 GKCBRN Cc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3[nH+]c2c1C ZINC000005008948 570423487 /nfs/dbraw/zinc/42/34/87/570423487.db2.gz YDSSZAODJAZZOD-UHFFFAOYSA-N 0 0 391.496 5.120 40 10 GKCBRN CN(C)c1ccc([C@H]2N=C(c3ccc(Cl)cc3)[C@H]3[C@@H](c4ccccc4)N32)cc1 ZINC000025586387 570428978 /nfs/dbraw/zinc/42/89/78/570428978.db2.gz MVTNPDZGDVJMMJ-MXQWMIFFSA-N 0 0 387.914 5.333 40 10 GKCBRN CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3CC)C2=O)cc1OC ZINC000005371446 570435503 /nfs/dbraw/zinc/43/55/03/570435503.db2.gz GZZCTAAWKCFUPN-UYRXBGFRSA-N 0 0 399.537 5.062 40 10 GKCBRN CC(=O)c1ccc(N2C(=O)C(=CC(C)=Cc3ccccc3)SC2=S)cc1 ZINC000005372200 570435604 /nfs/dbraw/zinc/43/56/04/570435604.db2.gz QIAVYSIXVAJROS-VAWAYFNOSA-N 0 0 379.506 5.241 40 10 GKCBRN CCc1ccc(N2C(=O)/C(=C/C(Cl)=C/c3ccccc3)SC2=S)cc1 ZINC000005372225 570435619 /nfs/dbraw/zinc/43/56/19/570435619.db2.gz QJFYUKZBLONEAL-QKMFDWEGSA-N 0 0 385.941 5.778 40 10 GKCBRN CCc1ccccc1N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S ZINC000005372222 570435762 /nfs/dbraw/zinc/43/57/62/570435762.db2.gz SSJNNQBMUPPLKL-QKMFDWEGSA-N 0 0 385.941 5.778 40 10 GKCBRN COc1ccc(Cl)cc1/C=C1\C(=O)N(c2cccc(C(F)(F)F)c2)N=C1C ZINC000005477071 570441303 /nfs/dbraw/zinc/44/13/03/570441303.db2.gz SBATXVDMJGDUQU-SXGWCWSVSA-N 0 0 394.780 5.174 40 10 GKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 ZINC000005551877 570445434 /nfs/dbraw/zinc/44/54/34/570445434.db2.gz KXJGZYWGQZZZMW-AQTBWJFISA-N 0 0 387.957 6.088 40 10 GKCBRN COc1ccc2[nH]c3cc([N+](=O)[O-])ccc3c(=[NH+][N-]c3ccc(Cl)cc3)c2c1 ZINC000005581261 570447452 /nfs/dbraw/zinc/44/74/52/570447452.db2.gz PFOKMOALFBOTCS-UHFFFAOYSA-N 0 0 394.818 5.397 40 10 GKCBRN CCOc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408758931 570455381 /nfs/dbraw/zinc/45/53/81/570455381.db2.gz UZWQQGCCOCNHLZ-HAVVHWLPSA-N 0 0 382.463 5.228 40 10 GKCBRN COc1ccc(Cl)c2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@H]21 ZINC000008115946 570466428 /nfs/dbraw/zinc/46/64/28/570466428.db2.gz CQJCUGJIXDNSFT-IUUKEHGRSA-N 0 0 379.809 6.194 40 10 GKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cccnc3)C2=O)cc1 ZINC000408759605 570469086 /nfs/dbraw/zinc/46/90/86/570469086.db2.gz HXIUMOLDZFSDJG-AQTBWJFISA-N 0 0 388.854 5.215 40 10 GKCBRN Cc1cccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000408760473 570470140 /nfs/dbraw/zinc/47/01/40/570470140.db2.gz ZCUZKQDDUHYXGC-KGENOOAVSA-N 0 0 390.845 5.622 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccccc2Cl)c1 ZINC000408761665 570470681 /nfs/dbraw/zinc/47/06/81/570470681.db2.gz KNMMDMPJEGYPED-KGENOOAVSA-N 0 0 390.845 5.622 40 10 GKCBRN CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000006355116 570477717 /nfs/dbraw/zinc/47/77/17/570477717.db2.gz QUNUEWOHWJMZBO-WJDWOHSUSA-N 0 0 375.902 5.145 40 10 GKCBRN CCOc1ccc(/C=C2\SC(N(C)c3ccc(Cl)cc3)=NC2=O)cc1C ZINC000006518155 570482626 /nfs/dbraw/zinc/48/26/26/570482626.db2.gz PTNIPTJJSZYRTO-PDGQHHTCSA-N 0 0 386.904 5.154 40 10 GKCBRN Cc1cccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2ccc(O)cc2)c1 ZINC000408762105 570484208 /nfs/dbraw/zinc/48/42/08/570484208.db2.gz MZQMOKUSJLAPMC-KGENOOAVSA-N 0 0 388.854 5.189 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)cc1C ZINC000006923835 570498965 /nfs/dbraw/zinc/49/89/65/570498965.db2.gz NIRMQQRFECUJJU-CXUHLZMHSA-N 0 0 394.348 6.016 40 10 GKCBRN Cc1ccc(COc2ccc([C@@H]3Nc4c(F)cccc4[C@@H]4C=CC[C@H]43)cc2)cc1 ZINC000032121154 570509552 /nfs/dbraw/zinc/50/95/52/570509552.db2.gz YREWEHBRSKUDJZ-RQTOMXEWSA-N 0 0 385.482 6.540 40 10 GKCBRN COc1cccc(/C=C2/N=C(c3ccc(C)cc3)N(c3cccc(C)c3)C2=O)c1 ZINC000408762453 570543800 /nfs/dbraw/zinc/54/38/00/570543800.db2.gz KMKJFATUDGUANC-XQNSMLJCSA-N 0 0 382.463 5.147 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)cc1Cl ZINC000009188642 570551249 /nfs/dbraw/zinc/55/12/49/570551249.db2.gz UMYOHJRWZUUDRX-YVLHZVERSA-N 0 0 388.945 5.120 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)cc3)SC2=S)cc1 ZINC000009188483 570551266 /nfs/dbraw/zinc/55/12/66/570551266.db2.gz ZQIUFDPKLYPSRX-QNGOZBTKSA-N 0 0 387.529 6.068 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)cc1Cl ZINC000009188640 570551276 /nfs/dbraw/zinc/55/12/76/570551276.db2.gz DQAOZPVAGGTMAK-ZDLGFXPLSA-N 0 0 387.957 6.178 40 10 GKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@H]21 ZINC000035392011 570551971 /nfs/dbraw/zinc/55/19/71/570551971.db2.gz VGNLYIWBQOMYOO-JCGVRSQUSA-N 0 0 391.254 5.737 40 10 GKCBRN O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000036080591 570554120 /nfs/dbraw/zinc/55/41/20/570554120.db2.gz WFGSPCUWKZHHLY-RSEQLOHWSA-N 0 0 398.462 6.000 40 10 GKCBRN O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(N2CCCCC2)cc1 ZINC000225372995 570568086 /nfs/dbraw/zinc/56/80/86/570568086.db2.gz RRLBUDXVSSPKFH-UHFFFAOYSA-N 0 0 391.342 5.233 40 10 GKCBRN C[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225654118 570598509 /nfs/dbraw/zinc/59/85/09/570598509.db2.gz XVWHDMYSMFYVFM-INIZCTEOSA-N 0 0 387.980 5.624 40 10 GKCBRN CCOc1ccccc1NC(=S)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000225663352 570599586 /nfs/dbraw/zinc/59/95/86/570599586.db2.gz WNFFUVDGBFRNDA-QGZVFWFLSA-N 0 0 383.561 5.123 40 10 GKCBRN Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1Cl ZINC000225663917 570599713 /nfs/dbraw/zinc/59/97/13/570599713.db2.gz PMMOTSHVEMSUJJ-INIZCTEOSA-N 0 0 387.980 5.686 40 10 GKCBRN CC(C)Oc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000225665857 570600030 /nfs/dbraw/zinc/60/00/30/570600030.db2.gz JHNFWXQUPAZIBA-SFHVURJKSA-N 0 0 397.588 5.512 40 10 GKCBRN C[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225667725 570600566 /nfs/dbraw/zinc/60/05/66/570600566.db2.gz JRFCXXNQNAMSKH-CVEARBPZSA-N 0 0 387.980 5.624 40 10 GKCBRN C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(F)c(Cl)c3)cc2)C1 ZINC000225690802 570603795 /nfs/dbraw/zinc/60/37/95/570603795.db2.gz UMBPKVSYAOUDGH-AWEZNQCLSA-N 0 0 391.943 5.202 40 10 GKCBRN C[C@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCCC2)cc1 ZINC000225694353 570604017 /nfs/dbraw/zinc/60/40/17/570604017.db2.gz AGWWSMHEZBXMTB-AWEZNQCLSA-N 0 0 393.478 5.353 40 10 GKCBRN C[C@@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(N2CCCC2)cc1 ZINC000225695059 570604447 /nfs/dbraw/zinc/60/44/47/570604447.db2.gz AUDHYEUNNXUJPP-CYBMUJFWSA-N 0 0 377.916 5.127 40 10 GKCBRN C[C@@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccc(N2CCCC2)cc1 ZINC000225695359 570604561 /nfs/dbraw/zinc/60/45/61/570604561.db2.gz JISUBAPJBCVBMZ-CQSZACIVSA-N 0 0 393.478 5.353 40 10 GKCBRN CC(C)Oc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)cc1 ZINC000225696304 570604585 /nfs/dbraw/zinc/60/45/85/570604585.db2.gz UGXVDFDYWCDFIL-QGZVFWFLSA-N 0 0 383.561 5.122 40 10 GKCBRN COc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C ZINC000225750567 570613206 /nfs/dbraw/zinc/61/32/06/570613206.db2.gz RROTZYLRQLKDGT-UYAOXDASSA-N 0 0 394.559 5.050 40 10 GKCBRN COc1ccc(C2=C/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C(=O)O2)cc1 ZINC000083260617 570628686 /nfs/dbraw/zinc/62/86/86/570628686.db2.gz HIGCMUSUYZIIPD-FOWTUZBSSA-N 0 0 378.811 5.590 40 10 GKCBRN Cc1ccccc1/N=N/c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1C ZINC000004713716 570636356 /nfs/dbraw/zinc/63/63/56/570636356.db2.gz WCTPNICPOWBINP-OCEACIFDSA-N 0 0 393.874 6.390 40 10 GKCBRN COc1cc(/C=C2/C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)ccc1C ZINC000004866027 570641279 /nfs/dbraw/zinc/64/12/79/570641279.db2.gz AQJRCOJNXSTXBD-ZHZULCJRSA-N 0 0 384.431 5.777 40 10 GKCBRN COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1 ZINC000033927638 570647301 /nfs/dbraw/zinc/64/73/01/570647301.db2.gz OTLMYFCYWMLDOB-HYARGMPZSA-N 0 0 398.458 5.564 40 10 GKCBRN C1=C[C@H]2c3cc(C45CC6CC(CC(C6)C4)C5)ccc3N[C@@H](c3ccccn3)[C@H]2C1 ZINC000058850905 570648131 /nfs/dbraw/zinc/64/81/31/570648131.db2.gz LPXLTKMRDYRVEX-MGBCDLHHSA-N 0 0 382.551 6.376 40 10 GKCBRN Clc1ccc(Cl)c2c1N[C@@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21 ZINC000058850667 570648232 /nfs/dbraw/zinc/64/82/32/570648232.db2.gz ZLTWEFQSEYTWMK-VGTOOOLASA-N 0 0 395.127 6.582 40 10 GKCBRN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000058929054 570649390 /nfs/dbraw/zinc/64/93/90/570649390.db2.gz LELLONBEKDZMKY-RLFDGXBXSA-N 0 0 395.673 6.382 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@H]21 ZINC000004959476 570653064 /nfs/dbraw/zinc/65/30/64/570653064.db2.gz AAPAYTYTDVLTTC-KSMMKXTCSA-N 0 0 388.294 5.997 40 10 GKCBRN COc1cc([C@@H]2Nc3c4ccccc4ccc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000004959493 570653436 /nfs/dbraw/zinc/65/34/36/570653436.db2.gz DGKGIADMRQEHSN-YYDVJCTNSA-N 0 0 387.479 5.692 40 10 GKCBRN COc1ccc([C@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000004975156 570655438 /nfs/dbraw/zinc/65/54/38/570655438.db2.gz ZVEKCJLWAYVIIO-VEVIJQCQSA-N 0 0 391.254 5.737 40 10 GKCBRN COc1ccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000004975185 570655482 /nfs/dbraw/zinc/65/54/82/570655482.db2.gz LFYKIRDJFXQXEA-PZROIBLQSA-N 0 0 391.254 5.737 40 10 GKCBRN CCCN1C(=O)/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC1=S ZINC000059418265 570656330 /nfs/dbraw/zinc/65/63/30/570656330.db2.gz YBGYQFIUJLGFPC-LDADJPATSA-N 0 0 387.501 5.016 40 10 GKCBRN Cc1ccc(C2=C/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)O2)cc1 ZINC000059425888 570656574 /nfs/dbraw/zinc/65/65/74/570656574.db2.gz KTMVCIVICWFWML-PTNGSMBKSA-N 0 0 397.257 6.543 40 10 GKCBRN O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C\c1c(O)ccc2ccccc12 ZINC000409052231 570696137 /nfs/dbraw/zinc/69/61/37/570696137.db2.gz QTELULXPDDIQEN-CJLVFECKSA-N 0 0 390.438 6.194 40 10 GKCBRN Cc1ccc([N+](=O)[O-])cc1/C=C1\C=C(c2ccc(Oc3ccccc3)cc2)OC1=O ZINC000409051910 570696259 /nfs/dbraw/zinc/69/62/59/570696259.db2.gz DAOVPOCJNFMDNC-CPNJWEJPSA-N 0 0 399.402 5.677 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000001461899 570715494 /nfs/dbraw/zinc/71/54/94/570715494.db2.gz HPBRTNDCSAQOBF-KPHUOKFYSA-N 0 0 398.846 5.251 40 10 GKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccccc2)cc1 ZINC000002306108 570719850 /nfs/dbraw/zinc/71/98/50/570719850.db2.gz IFPHYNOPJVGPEM-RCCKNPSSSA-N 0 0 388.854 5.183 40 10 GKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc31)N2 ZINC000004691479 570729017 /nfs/dbraw/zinc/72/90/17/570729017.db2.gz HWGSLBXHTZZQOT-CDMIOBSGSA-N 0 0 389.882 6.106 40 10 GKCBRN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000005538871 570733427 /nfs/dbraw/zinc/73/34/27/570733427.db2.gz PGFBWZCALSBCOI-CJLVFECKSA-N 0 0 381.475 5.783 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 ZINC000005587563 570734004 /nfs/dbraw/zinc/73/40/04/570734004.db2.gz GUBQCAVHIQCXKZ-FRQCXROJSA-N 0 0 385.261 5.492 40 10 GKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)cc1 ZINC000005959363 570737128 /nfs/dbraw/zinc/73/71/28/570737128.db2.gz XHBSQLOFSDSFNW-XSFVSMFZSA-N 0 0 391.517 5.644 40 10 GKCBRN Cc1cc(/C=C2\Sc3ccccc3NC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409103763 570737229 /nfs/dbraw/zinc/73/72/29/570737229.db2.gz FSJJLEPPYLOMNF-NDENLUEZSA-N 0 0 391.452 5.088 40 10 GKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21 ZINC000006952924 570751304 /nfs/dbraw/zinc/75/13/04/570751304.db2.gz WQAMXJBZLQXKPJ-IUUKEHGRSA-N 0 0 391.254 5.737 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21 ZINC000006963525 570754031 /nfs/dbraw/zinc/75/40/31/570754031.db2.gz SGKOJUFJFBAXQD-QUJCMNEKSA-N 0 0 375.255 6.037 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21 ZINC000006963472 570754222 /nfs/dbraw/zinc/75/42/22/570754222.db2.gz JNMLXRALTBBBMP-NJSLBKSFSA-N 0 0 385.807 5.291 40 10 GKCBRN Clc1cccc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)c1Cl ZINC000006969759 570754659 /nfs/dbraw/zinc/75/46/59/570754659.db2.gz UHZJNYOFMCHPDH-PSVSLLHZSA-N 0 0 395.127 6.582 40 10 GKCBRN Cc1c(Cl)ccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000008276716 570766335 /nfs/dbraw/zinc/76/63/35/570766335.db2.gz LONUTKTZJIQJTR-XEKQOVJPSA-N 0 0 375.255 6.037 40 10 GKCBRN CC(C)(C)c1ccc(CCC(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000010113230 570782457 /nfs/dbraw/zinc/78/24/57/570782457.db2.gz BVDHSHFIMIMTFA-UHFFFAOYSA-N 0 0 378.560 5.223 40 10 GKCBRN O=C(NCc1ccc(N2CCCC2)cc1)/C(=C/c1ccccc1)c1ccccc1 ZINC000010113507 570782839 /nfs/dbraw/zinc/78/28/39/570782839.db2.gz IWCQGHXOYAQUFH-NCELDCMTSA-N 0 0 382.507 5.144 40 10 GKCBRN COc1ccc(OC)c2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000013638628 570862862 /nfs/dbraw/zinc/86/28/62/570862862.db2.gz LJZMGUKWJMRBAY-VCBZYWHSSA-N 0 0 386.289 5.293 40 10 GKCBRN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc31)N2 ZINC000014549069 570892194 /nfs/dbraw/zinc/89/21/94/570892194.db2.gz JWRCGOLXVULHQG-FMGHJNRGSA-N 0 0 389.498 7.022 40 10 GKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@H]3C=CC[C@@H]32)ccc1Cl ZINC000014470811 570892603 /nfs/dbraw/zinc/89/26/03/570892603.db2.gz SMMHMHFCDJVMAZ-DINDLPBHSA-N 0 0 395.673 6.382 40 10 GKCBRN O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000014471570 570892605 /nfs/dbraw/zinc/89/26/05/570892605.db2.gz LDIIYNSAGBFDMI-DPLHUUCSSA-N 0 0 384.435 6.214 40 10 GKCBRN CCOC(=O)c1ccccc1N[C@H](c1ccccc1)c1ccc2cccnc2c1O ZINC000005422593 570897701 /nfs/dbraw/zinc/89/77/01/570897701.db2.gz CFRIVAVQXGZCHZ-JOCHJYFZSA-N 0 0 398.462 5.319 40 10 GKCBRN CC(Nc1ccc(C)cc1C)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000017081692 570915894 /nfs/dbraw/zinc/91/58/94/570915894.db2.gz XZSKTVQLJAVNNW-NKFKGCMQSA-N 0 0 399.469 5.580 40 10 GKCBRN CC(Nc1ccc(C)c(C)c1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000017077988 570917194 /nfs/dbraw/zinc/91/71/94/570917194.db2.gz ZNJJYTZVKCERMM-NMWGTECJSA-N 0 0 381.479 5.440 40 10 GKCBRN CC(Nc1ccc(C)cc1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000017078676 570917742 /nfs/dbraw/zinc/91/77/42/570917742.db2.gz BPDVWGMJIHOABA-XLNRJJMWSA-N 0 0 385.442 5.271 40 10 GKCBRN O=C(c1ccccc1)c1cc(Cl)ccc1NC(=S)NCc1ccc(F)cc1 ZINC000017081625 570919282 /nfs/dbraw/zinc/91/92/82/570919282.db2.gz WVJHCCRYVSZJSD-UHFFFAOYSA-N 0 0 398.890 5.197 40 10 GKCBRN COc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1Cl ZINC000016292262 570921149 /nfs/dbraw/zinc/92/11/49/570921149.db2.gz YZLPDKANHSBPJX-YVLHZVERSA-N 0 0 389.929 5.058 40 10 GKCBRN COc1ccccc1[C@H](NC(=O)C1CCCCC1)c1c(O)ccc2ccccc21 ZINC000019893058 570931541 /nfs/dbraw/zinc/93/15/41/570931541.db2.gz JQUDBDBOXHGXRH-DEOSSOPVSA-N 0 0 389.495 5.340 40 10 GKCBRN COc1ccccc1[C@@H](NC(=O)C1CCCCC1)c1c(O)ccc2ccccc21 ZINC000019893056 570931810 /nfs/dbraw/zinc/93/18/10/570931810.db2.gz JQUDBDBOXHGXRH-XMMPIXPASA-N 0 0 389.495 5.340 40 10 GKCBRN C[C@@H]1CCCCN1c1ccc(CNc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000226241927 570935269 /nfs/dbraw/zinc/93/52/69/570935269.db2.gz GWWCPTXBVGECLJ-QGZVFWFLSA-N 0 0 375.472 5.739 40 10 GKCBRN Cc1ccc(-c2ccc(-c3cccc(Cl)c3)o2)n1-c1ccc(C(C)C)cc1 ZINC000199746391 570951571 /nfs/dbraw/zinc/95/15/71/570951571.db2.gz ATGQRAORZJWBSZ-UHFFFAOYSA-N 0 0 375.899 7.490 40 10 GKCBRN O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@@H]3C=CC[C@@H]32)c1 ZINC000226742968 570954162 /nfs/dbraw/zinc/95/41/62/570954162.db2.gz PPQGCBGTMOSHKV-VGTOOOLASA-N 0 0 395.673 6.382 40 10 GKCBRN c1ccc(Nc2ccc(NCNc3ccc(Nc4ccccc4)cc3)cc2)cc1 ZINC000003063023 570954270 /nfs/dbraw/zinc/95/42/70/570954270.db2.gz SIOMNOOSLCTXJI-UHFFFAOYSA-N 0 0 380.495 6.655 40 10 GKCBRN CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000226797437 570954348 /nfs/dbraw/zinc/95/43/48/570954348.db2.gz MWKZZNNTODHDSB-FUHIMQAGSA-N 0 0 397.316 5.025 40 10 GKCBRN Clc1cccc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21 ZINC000226696730 570954353 /nfs/dbraw/zinc/95/43/53/570954353.db2.gz NGXDHOIVYOOHQW-DPLHUUCSSA-N 0 0 387.910 6.746 40 10 GKCBRN Clc1ccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@@H]3C=CC[C@@H]32)c(Cl)c1 ZINC000226831299 570954425 /nfs/dbraw/zinc/95/44/25/570954425.db2.gz YUNDXBPBKWZDHM-VGTOOOLASA-N 0 0 385.121 7.127 40 10 GKCBRN COc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1OC ZINC000226878680 570954592 /nfs/dbraw/zinc/95/45/92/570954592.db2.gz HIRSNKQQVCYOGG-TYILLQQXSA-N 0 0 376.283 5.837 40 10 GKCBRN Clc1ccc2c(c1Cl)N[C@@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000226858119 570954708 /nfs/dbraw/zinc/95/47/08/570954708.db2.gz SVVPFJBGQAFRHJ-GPHJXTMHSA-N 0 0 385.121 7.127 40 10 GKCBRN Clc1cccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)c1Cl ZINC000226847487 570954747 /nfs/dbraw/zinc/95/47/47/570954747.db2.gz UHZJNYOFMCHPDH-VGTOOOLASA-N 0 0 395.127 6.582 40 10 GKCBRN CCOc1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226875547 570954908 /nfs/dbraw/zinc/95/49/08/570954908.db2.gz KMCYKVPMQRKYAF-TYILLQQXSA-N 0 0 394.729 6.872 40 10 GKCBRN COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000043769599 570964739 /nfs/dbraw/zinc/96/47/39/570964739.db2.gz ZTIUKDUSOARIJB-GPMSIDNRSA-N 0 0 386.289 5.293 40 10 GKCBRN Fc1ccccc1[C@H]1[C@@H]2CC=C[C@H]2c2c3ccccc3cc3c2N1C[C@H]1CC=C[C@H]31 ZINC000004182495 570967290 /nfs/dbraw/zinc/96/72/90/570967290.db2.gz FVAFZNALYZHRMV-YDQJSCHSSA-N 0 0 393.505 6.873 40 10 GKCBRN Fc1cc(CN[C@H](Cc2ccsc2)c2nccs2)ccc1N1CCCC1 ZINC000019292999 570972664 /nfs/dbraw/zinc/97/26/64/570972664.db2.gz IBHAKXGYZRHWPE-GOSISDBHSA-N 0 0 387.549 5.018 40 10 GKCBRN Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21 ZINC000004718496 570991395 /nfs/dbraw/zinc/99/13/95/570991395.db2.gz DBCQRZTZYFFHEG-WTOJCKNJSA-N 0 0 375.255 6.037 40 10 GKCBRN CC1CCN(C2=NC(=O)/C(=C\c3cccc(Oc4ccccc4)c3)S2)CC1 ZINC000005843901 570995570 /nfs/dbraw/zinc/99/55/70/570995570.db2.gz ISCJFIQFIOCKSI-HMMYKYKNSA-N 0 0 378.497 5.181 40 10 GKCBRN COc1ccc(/C=C2/C=C(c3ccc(-c4ccccc4)cc3)OC2=O)c(OC)c1 ZINC000006581357 570997541 /nfs/dbraw/zinc/99/75/41/570997541.db2.gz AJQAJQOYXCIWCK-STZFKDTASA-N 0 0 384.431 5.352 40 10 GKCBRN Fc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000096006164 571095890 /nfs/dbraw/zinc/09/58/90/571095890.db2.gz CPUTXUYMMSJFMZ-RKVPGOIHSA-N 0 0 391.227 5.257 40 10 GKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2 ZINC000006962817 230854592 /nfs/dbraw/zinc/85/45/92/230854592.db2.gz JLNSVSBKKYUGHT-BIENJYKASA-N 0 0 388.389 6.057 40 10 GKCBRN CC[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC ZINC000408905262 529378454 /nfs/dbraw/zinc/37/84/54/529378454.db2.gz WCIROWQWFNYXHM-XWAFYUISSA-N 0 0 398.890 5.332 40 10 GKCBRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000409343247 529383015 /nfs/dbraw/zinc/38/30/15/529383015.db2.gz DEKAIEFUEGGCNQ-QFGUUYLXSA-N 0 0 375.559 5.398 40 10 GKCBRN Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccccn3)N4)sc2c1 ZINC000058851034 230940876 /nfs/dbraw/zinc/94/08/76/230940876.db2.gz DLTVZRBFHUDLQU-NXMSCROESA-N 0 0 395.531 6.493 40 10 GKCBRN Cc1cccc(CN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)c1 ZINC000106708424 231018721 /nfs/dbraw/zinc/01/87/21/231018721.db2.gz DNSAZLWATLTIRY-STZFKDTASA-N 0 0 392.524 5.140 40 10 GKCBRN O=C1/C(=C\c2cccc(Oc3ccccc3)c2)SC(=S)N1C1CCCCC1 ZINC000113834997 231022279 /nfs/dbraw/zinc/02/22/79/231022279.db2.gz XRTRRMFOWPNQFX-HMMYKYKNSA-N 0 0 395.549 6.013 40 10 GKCBRN O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc2ccccc21 ZINC000113831060 231022765 /nfs/dbraw/zinc/02/27/65/231022765.db2.gz VOMQERTWLMTLFZ-LDADJPATSA-N 0 0 392.461 5.154 40 10 GKCBRN O=C1NC(=S)S/C1=C\c1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000408532101 231052320 /nfs/dbraw/zinc/05/23/20/231052320.db2.gz SIAFHMXJONLVPS-ODLFYWEKSA-N 0 0 395.480 5.047 40 10 GKCBRN Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408817960 231118460 /nfs/dbraw/zinc/11/84/60/231118460.db2.gz XDWDEVYIHHFQDK-CHHVJCJISA-N 0 0 381.284 5.067 40 10 GKCBRN Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408819436 231118990 /nfs/dbraw/zinc/11/89/90/231118990.db2.gz QVJWBKJWRLNDAS-VIZOYTHASA-N 0 0 381.284 5.067 40 10 GKCBRN Cc1ccc([C@@H]2Nc3ccc4c(c3[C@@H]3C=CC[C@@H]32)C(=O)c2ccccc2C4=O)cc1 ZINC000408826920 231119355 /nfs/dbraw/zinc/11/93/55/231119355.db2.gz DORPKYQOXVTLPY-UZEJHQAJSA-N 0 0 391.470 5.597 40 10 GKCBRN Cc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408845695 231120694 /nfs/dbraw/zinc/12/06/94/231120694.db2.gz QYMOXCCHJUHTLP-KGENOOAVSA-N 0 0 390.845 5.622 40 10 GKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccc(C(C)C)cc1 ZINC000408902457 231126793 /nfs/dbraw/zinc/12/67/93/231126793.db2.gz NZBLPBUDZFLONU-PCLIKHOPSA-N 0 0 397.522 6.024 40 10 GKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccc(C)cc1C ZINC000408903288 231127613 /nfs/dbraw/zinc/12/76/13/231127613.db2.gz WZMPJPQPYUNHCC-HZHRSRAPSA-N 0 0 383.495 5.517 40 10 GKCBRN Clc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1Cl ZINC000408736223 231108691 /nfs/dbraw/zinc/10/86/91/231108691.db2.gz MLOVKHBIRAAKHU-VBHSOAQHSA-N 0 0 395.127 6.582 40 10 GKCBRN Clc1ccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@@H]3C=CC[C@@H]32)cc1Cl ZINC000408736253 231108814 /nfs/dbraw/zinc/10/88/14/231108814.db2.gz NZEXCWBDSHRJBN-RLFDGXBXSA-N 0 0 385.121 7.127 40 10 GKCBRN Cc1ccc(C2=C/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)O2)cc1 ZINC000408743205 231110909 /nfs/dbraw/zinc/11/09/09/231110909.db2.gz RMRGHKOGWMLPOI-GZTJUZNOSA-N 0 0 387.391 5.453 40 10 GKCBRN O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccc(Cl)cc2)N1c1ccccc1 ZINC000408752542 231111604 /nfs/dbraw/zinc/11/16/04/231111604.db2.gz BMJVACGXNKXTGP-XSFVSMFZSA-N 0 0 393.273 5.828 40 10 GKCBRN O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2F)N1c1ccccc1 ZINC000408753269 231111761 /nfs/dbraw/zinc/11/17/61/231111761.db2.gz GADUFZGJSOCVAO-JJIBRWJFSA-N 0 0 392.433 5.813 40 10 GKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1ccccc1Br ZINC000408964537 231137220 /nfs/dbraw/zinc/13/72/20/231137220.db2.gz DDBCEQLPDGMCNO-UHFFFAOYSA-N 0 0 391.106 5.978 40 10 GKCBRN O=C(Nc1ccc2nc3ccc4ccccc4c3nc2c1)c1cccc(Cl)c1 ZINC000408973458 231139563 /nfs/dbraw/zinc/13/95/63/231139563.db2.gz AYCPCNYYHZXZHC-UHFFFAOYSA-N 0 0 383.838 5.842 40 10 GKCBRN O=C(Nc1ccc2nc3ccc4ccccc4c3nc2c1)c1ccc2ccccc2c1 ZINC000408978355 231141188 /nfs/dbraw/zinc/14/11/88/231141188.db2.gz YWOVXSVUUVXPNK-UHFFFAOYSA-N 0 0 399.453 6.342 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1C ZINC000408986018 231142274 /nfs/dbraw/zinc/14/22/74/231142274.db2.gz OMKVBAXKCMAPHA-RCCKNPSSSA-N 0 0 385.894 6.428 40 10 GKCBRN O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccccc1F ZINC000408984982 231142548 /nfs/dbraw/zinc/14/25/48/231142548.db2.gz JWLXQQODXABWEW-NBVRZTHBSA-N 0 0 375.830 5.950 40 10 GKCBRN O=C1/C(=C\c2cccs2)N=C(c2ccccc2Cl)N1c1ccc(Cl)cc1 ZINC000409000439 231144961 /nfs/dbraw/zinc/14/49/61/231144961.db2.gz YUWMHIYPUPWMHG-LDADJPATSA-N 0 0 399.302 5.889 40 10 GKCBRN O=C(CCNC(=O)Oc1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409004025 231145415 /nfs/dbraw/zinc/14/54/15/231145415.db2.gz WGSUTBQQAHTIAE-OCEACIFDSA-N 0 0 388.427 5.219 40 10 GKCBRN Cc1c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cc(C)ccc2n1C ZINC000409037315 231149358 /nfs/dbraw/zinc/14/93/58/231149358.db2.gz MWXNRKRVLYQYHM-LDADJPATSA-N 0 0 397.400 5.144 40 10 GKCBRN Cc1[nH]c2ccc(C)cc2c1/C=C1/C(=O)N(c2cc(F)c(F)cc2F)N=C1C ZINC000409048862 231151318 /nfs/dbraw/zinc/15/13/18/231151318.db2.gz PHCUIPVJYVPYTH-VGOFMYFVSA-N 0 0 383.373 5.008 40 10 GKCBRN CCn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21 ZINC000409134671 231168818 /nfs/dbraw/zinc/16/88/18/231168818.db2.gz PCTIGZXSVSZWQX-ZHZULCJRSA-N 0 0 392.549 5.105 40 10 GKCBRN Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccccn1 ZINC000409134312 231168882 /nfs/dbraw/zinc/16/88/82/231168882.db2.gz NTZDIROQRAIIEC-CPNJWEJPSA-N 0 0 395.528 5.106 40 10 GKCBRN FC(F)(F)c1ccccc1[C@@H]1Nc2c(-c3ccccc3)cccc2[C@@H]2C=CC[C@@H]21 ZINC000409151964 231171782 /nfs/dbraw/zinc/17/17/82/231171782.db2.gz IIVOYTFCHOLYQO-VAXXYWNWSA-N 0 0 391.436 7.199 40 10 GKCBRN Cc1cccc(COc2ccccc2C[C@H]2SC(=S)N(CC(C)C)C2=O)c1 ZINC000409149397 231171966 /nfs/dbraw/zinc/17/19/66/231171966.db2.gz FBDQXNFHGMHSOH-HXUWFJFHSA-N 0 0 399.581 5.001 40 10 GKCBRN Clc1ccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)c(Cl)c1 ZINC000409152294 231172064 /nfs/dbraw/zinc/17/20/64/231172064.db2.gz IVBXHRCCROXVMV-VAXXYWNWSA-N 0 0 392.329 7.487 40 10 GKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000409159518 231173100 /nfs/dbraw/zinc/17/31/00/231173100.db2.gz NESQQICDIJCBEG-FTLABTOESA-N 0 0 391.254 5.737 40 10 GKCBRN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc31)N2 ZINC000409157300 231173134 /nfs/dbraw/zinc/17/31/34/231173134.db2.gz IHMMOVGWEHAGLG-CEQIKUNHSA-N 0 0 376.843 6.228 40 10 GKCBRN COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Cl ZINC000409088176 231157231 /nfs/dbraw/zinc/15/72/31/231157231.db2.gz FEDWOLUOSYRRPP-RGEXLXHISA-N 0 0 388.854 5.183 40 10 GKCBRN O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(F)cc(Br)cc2[C@@H]2C=CC[C@H]21 ZINC000409164492 231173502 /nfs/dbraw/zinc/17/35/02/231173502.db2.gz JHHBPVRODWEGKF-PSTGCABASA-N 0 0 389.224 5.323 40 10 GKCBRN Cc1ccc(NCc2cc(Br)cc(Br)c2O)c(C)c1 ZINC000409110544 231163528 /nfs/dbraw/zinc/16/35/28/231163528.db2.gz DXKRSFDHRGBRQD-UHFFFAOYSA-N 0 0 385.099 5.146 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000409163787 231173842 /nfs/dbraw/zinc/17/38/42/231173842.db2.gz XVIOBPRPQSYKRW-SEDUGSJDSA-N 0 0 384.228 6.839 40 10 GKCBRN O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(Cl)ccc(C(F)(F)F)c2[C@H]2C=CC[C@@H]21 ZINC000409164120 231173850 /nfs/dbraw/zinc/17/38/50/231173850.db2.gz CPPONOQRCDEHNP-PSVSLLHZSA-N 0 0 394.780 6.094 40 10 GKCBRN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000409164570 231173870 /nfs/dbraw/zinc/17/38/70/231173870.db2.gz KIBSCRHPFYARPR-VHCOLVSPSA-N 0 0 395.673 6.382 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000409169165 231173887 /nfs/dbraw/zinc/17/38/87/231173887.db2.gz PILQAPVRYAYIEN-RVKKMQEKSA-N 0 0 394.234 6.294 40 10 GKCBRN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000409164571 231173962 /nfs/dbraw/zinc/17/39/62/231173962.db2.gz KIBSCRHPFYARPR-YHTYYEMMSA-N 0 0 395.673 6.382 40 10 GKCBRN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000409164569 231174087 /nfs/dbraw/zinc/17/40/87/231174087.db2.gz KIBSCRHPFYARPR-KEYDSSBGSA-N 0 0 395.673 6.382 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000409163785 231174111 /nfs/dbraw/zinc/17/41/11/231174111.db2.gz XVIOBPRPQSYKRW-FMTVUPSXSA-N 0 0 384.228 6.839 40 10 GKCBRN O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409176712 231175652 /nfs/dbraw/zinc/17/56/52/231175652.db2.gz VUZDLIWPKRYKDR-QSJINSDNSA-N 0 0 375.877 5.441 40 10 GKCBRN O=C1C=CC(=NNc2cccc(C(F)(F)F)c2)C=C1c1nc2ccccc2s1 ZINC000409257554 231188483 /nfs/dbraw/zinc/18/84/83/231188483.db2.gz SUXCQMSJXRDUSC-QPLCGJKRSA-N 0 0 399.397 7.103 40 10 GKCBRN CCn1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)c2ccccc21 ZINC000409328369 231189840 /nfs/dbraw/zinc/18/98/40/231189840.db2.gz TUBCFLZWARLAIR-XDHOZWIPSA-N 0 0 378.522 5.375 40 10 GKCBRN Cc1c(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc2n1C ZINC000409327556 231190074 /nfs/dbraw/zinc/19/00/74/231190074.db2.gz KTXSMRMJZBCHAZ-UDWIEESQSA-N 0 0 392.549 5.509 40 10 GKCBRN O=C1/C(=C/c2ccc(O)c(Cl)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000409329760 231190817 /nfs/dbraw/zinc/19/08/17/231190817.db2.gz HTIINBKHFSAJDD-AUWJEWJLSA-N 0 0 382.293 5.105 40 10 GKCBRN CSc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)c1 ZINC000409329881 231190843 /nfs/dbraw/zinc/19/08/43/231190843.db2.gz IGHBKTSJQXNIJZ-OQLLNIDSSA-N 0 0 377.943 5.468 40 10 GKCBRN COc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)c2ccccc12 ZINC000409339568 231191761 /nfs/dbraw/zinc/19/17/61/231191761.db2.gz WHKXDQIAAGDSSW-ODLFYWEKSA-N 0 0 395.480 5.393 40 10 GKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c2ccccc2n1C ZINC000409338143 231192038 /nfs/dbraw/zinc/19/20/38/231192038.db2.gz DVJNXQBLSPFAHM-WOJGMQOQSA-N 0 0 382.485 5.032 40 10 GKCBRN O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=S)N1c1cccc(F)c1 ZINC000409342809 231192447 /nfs/dbraw/zinc/19/24/47/231192447.db2.gz CPNZFPRZKLEVMG-QPEQYQDCSA-N 0 0 384.284 5.538 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)cc3)SC2=S)cc1C ZINC000409344282 231192449 /nfs/dbraw/zinc/19/24/49/231192449.db2.gz IIAKPTGCUXVMMO-UNOMPAQXSA-N 0 0 383.538 5.496 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)SC2=S)c(C)c1 ZINC000409342841 231192455 /nfs/dbraw/zinc/19/24/55/231192455.db2.gz FCTSYQLYYDDYTD-ZHZULCJRSA-N 0 0 394.565 5.309 40 10 GKCBRN CSc1cccc(N2C(=O)/C(=C\c3cccc(Cl)c3)SC2=S)c1 ZINC000409342894 231192564 /nfs/dbraw/zinc/19/25/64/231192564.db2.gz FTBRVZIGGWCSAY-OQLLNIDSSA-N 0 0 377.943 5.468 40 10 GKCBRN O=C1/C(=C/c2cccc3ccccc23)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409343689 231192662 /nfs/dbraw/zinc/19/26/62/231192662.db2.gz FWELYJRHZDVNLF-WQRHYEAKSA-N 0 0 392.461 5.154 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(C)C)cc3)SC2=S)c(C)c1 ZINC000409348129 231193650 /nfs/dbraw/zinc/19/36/50/231193650.db2.gz RNUWYBAANNXNTE-UDWIEESQSA-N 0 0 397.565 5.744 40 10 GKCBRN CC[C@@H](C)n1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc21 ZINC000408903235 529437390 /nfs/dbraw/zinc/43/73/90/529437390.db2.gz WCIHPPHVDXNFPE-OOWUWCJESA-N 0 0 392.549 6.018 40 10 GKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c[nH]c21 ZINC000409125242 529548507 /nfs/dbraw/zinc/54/85/07/529548507.db2.gz LKPMYEZSCVHSBN-UYRXBGFRSA-N 0 0 392.549 5.174 40 10 GKCBRN CCc1cccc2c(/C=C3/SC(=S)N(c4ccccc4F)C3=O)c[nH]c21 ZINC000409347837 529549149 /nfs/dbraw/zinc/54/91/49/529549149.db2.gz RJZCHSFONITJTA-LICLKQGHSA-N 0 0 382.485 5.275 40 10 GKCBRN CCc1cccc2c(/C=C3/SC(=S)N(c4cccc(F)c4)C3=O)c[nH]c21 ZINC000409334673 529549233 /nfs/dbraw/zinc/54/92/33/529549233.db2.gz VRKYSHYLDWICSG-RQZCQDPDSA-N 0 0 382.485 5.275 40 10 GKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3)C=C2c2ccccc2)cc1 ZINC000408737573 529662107 /nfs/dbraw/zinc/66/21/07/529662107.db2.gz DIGDYQVRLQCSCR-OQKWZONESA-N 0 0 381.475 5.729 40 10 GKCBRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1=O ZINC000409017897 529695704 /nfs/dbraw/zinc/69/57/04/529695704.db2.gz WDQCNZQCNQZHMC-SLDJAQPHSA-N 0 0 382.529 5.546 40 10 GKCBRN Cc1ccccc1/N=N/c1c(-c2ccccc2)nn(C(N)=S)c1-c1ccccc1 ZINC000016930142 210198448 /nfs/dbraw/zinc/19/84/48/210198448.db2.gz YSHZJOPHSQPGCJ-OCEACIFDSA-N 0 0 397.507 6.033 40 10 GKCBRN CN1C(=O)/C(=C/c2c(OCc3ccccc3)ccc3ccccc32)SC1=S ZINC000409331258 530039480 /nfs/dbraw/zinc/03/94/80/530039480.db2.gz NEKSSJXJXBZRDR-MOSHPQCFSA-N 0 0 391.517 5.250 40 10 GKCBRN C[C@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225587913 222685172 /nfs/dbraw/zinc/68/51/72/222685172.db2.gz ZPDHBPGSZIEKBE-NRFANRHFSA-N 0 0 390.571 5.612 40 10 GKCBRN CCOc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000225670064 222689470 /nfs/dbraw/zinc/68/94/70/222689470.db2.gz YSHWGRSMJAZTMG-QZTJIDSGSA-N 0 0 397.588 5.369 40 10 GKCBRN O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1CCc1ccccc1 ZINC000009188653 209815692 /nfs/dbraw/zinc/81/56/92/209815692.db2.gz XVQFVVFBQLQYOI-WJDWOHSUSA-N 0 0 394.348 5.437 40 10 GKCBRN O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000009188548 209815661 /nfs/dbraw/zinc/81/56/61/209815661.db2.gz UVKCZXRIAZRBGW-AUWJEWJLSA-N 0 0 382.293 5.105 40 10 GKCBRN Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(Br)o3)SC2=S)c1 ZINC000005371590 209588974 /nfs/dbraw/zinc/58/89/74/209588974.db2.gz MYPZTRDQDAPXLE-MDWZMJQESA-N 0 0 394.315 5.065 40 10 GKCBRN CCc1ccccc1N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000005371922 209589427 /nfs/dbraw/zinc/58/94/27/209589427.db2.gz QAFQWYLGZHKUDG-YBEGLDIGSA-N 0 0 394.348 5.962 40 10 GKCBRN Oc1c([C@H](Nc2cccnc2)c2ccc(C(F)(F)F)cc2)ccc2cccnc21 ZINC000001065023 209295972 /nfs/dbraw/zinc/29/59/72/209295972.db2.gz DENCCOZMOOLBIS-LJQANCHMSA-N 0 0 395.384 5.556 40 10 GKCBRN CCC1=C(c2ccc(OC)cc2)C(C)(C)Oc2cc(O)c(C[NH+]3CCCC3)cc21 ZINC000001760393 212256061 /nfs/dbraw/zinc/25/60/61/212256061.db2.gz KVMDJZAOBOVORV-UHFFFAOYSA-N 0 0 393.527 5.488 40 10 in-vitro GKCBRN CCN(CC)c1ccc([C@@H](NC[C@H]2CCCCO2)C(Cl)(Cl)Cl)cc1 ZINC000001667978 212254592 /nfs/dbraw/zinc/25/45/92/212254592.db2.gz LQBYSZDCMCCWBY-IAGOWNOFSA-N 0 0 393.786 5.103 40 10 GKCBRN C[C@@H]1CCCCN1c1ccc(CNc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000226242000 209186602 /nfs/dbraw/zinc/18/66/02/209186602.db2.gz PGXMUWVPIYSSHS-QGZVFWFLSA-N 0 0 375.472 5.739 40 10 GKCBRN Cc1cc(CO)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000034772900 212162627 /nfs/dbraw/zinc/16/26/27/212162627.db2.gz NGXDOROALSJNRK-UHFFFAOYSA-N 0 0 376.283 5.472 40 10 GKCBRN O=C1NC(=S)S/C1=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000002775288 212062464 /nfs/dbraw/zinc/06/24/64/212062464.db2.gz YPGDSZLDFDWJHA-NVNXTCNLSA-N 0 0 396.320 5.061 40 10 GKCBRN CN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)SC1=S ZINC000001168155 212061390 /nfs/dbraw/zinc/06/13/90/212061390.db2.gz RNERKEJVRXUDLY-MOSHPQCFSA-N 0 0 391.517 5.250 40 10 GKCBRN CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000001198122 212061202 /nfs/dbraw/zinc/06/12/02/212061202.db2.gz FBWHWYPQCMZZQR-BOPFTXTBSA-N 0 0 389.929 5.140 40 10 GKCBRN O=[N+]([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N3C[C@H]1CC=C[C@H]21 ZINC000004697097 204065108 /nfs/dbraw/zinc/06/51/08/204065108.db2.gz BIBYXMCNCDHNPI-WPUDHWPRSA-N 0 0 388.442 5.628 40 10 GKCBRN O=[N+]([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 ZINC000004697094 204065875 /nfs/dbraw/zinc/06/58/75/204065875.db2.gz BIBYXMCNCDHNPI-MSBWEVJISA-N 0 0 388.442 5.628 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)c1 ZINC000004719511 204068599 /nfs/dbraw/zinc/06/85/99/204068599.db2.gz JWQIESOHSQASFX-XNTDXEJSSA-N 0 0 390.327 5.163 40 10 GKCBRN CCOc1cc(/C=C2/C=C(c3ccc(-c4ccccc4)cc3)OC2=O)ccc1O ZINC000004600316 204057203 /nfs/dbraw/zinc/05/72/03/204057203.db2.gz ZTIOBRQHNMOGSM-STZFKDTASA-N 0 0 384.431 5.439 40 10 GKCBRN Cc1ccc(C(=O)Nc2cc3c4c(c2)[C@H]2C=CC[C@@H]2CN4C[C@H]2CC=C[C@H]32)cc1 ZINC000005330715 204125300 /nfs/dbraw/zinc/12/53/00/204125300.db2.gz RLPNGAYKCGQFGU-WKDRNLAYSA-N 0 0 382.507 5.400 40 10 GKCBRN Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)c1 ZINC000005371538 204128466 /nfs/dbraw/zinc/12/84/66/204128466.db2.gz WDNDYULUPFYCGA-ODLFYWEKSA-N 0 0 378.522 5.201 40 10 GKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)cc1 ZINC000005371912 204127842 /nfs/dbraw/zinc/12/78/42/204127842.db2.gz DWUDEYWGPKOLMQ-SXGWCWSVSA-N 0 0 394.348 5.962 40 10 GKCBRN O=C1N=C(Nc2ccc(Cl)c(C(F)(F)F)c2)SC1=CC=Cc1ccco1 ZINC000005374554 204129954 /nfs/dbraw/zinc/12/99/54/204129954.db2.gz ZFQPWTPGDXZTAV-NQDFZQDQSA-N 0 0 398.793 5.590 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccccc2)c2ccccc12 ZINC000013881145 204516837 /nfs/dbraw/zinc/51/68/37/204516837.db2.gz UBSNJIQULZWYCX-JLPGSUDCSA-N 0 0 391.474 5.496 40 10 GKCBRN C[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225654094 211913166 /nfs/dbraw/zinc/91/31/66/211913166.db2.gz XVWHDMYSMFYVFM-MRXNPFEDSA-N 0 0 387.980 5.624 40 10 GKCBRN CC(C)Oc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)cc1 ZINC000225696279 211918545 /nfs/dbraw/zinc/91/85/45/211918545.db2.gz UGXVDFDYWCDFIL-KRWDZBQOSA-N 0 0 383.561 5.122 40 10 GKCBRN C[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225309226 211891772 /nfs/dbraw/zinc/89/17/72/211891772.db2.gz BHRDQHFFNSUIER-SFHVURJKSA-N 0 0 384.951 5.386 40 10 GKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21 ZINC000033778655 204967488 /nfs/dbraw/zinc/96/74/88/204967488.db2.gz JUZGYFWKGIPEEI-VEVIJQCQSA-N 0 0 391.254 5.737 40 10 GKCBRN CC(=Cc1ccccc1)C=C1SC(Nc2ccc(Cl)cc2Cl)=NC1=O ZINC000002442420 209115206 /nfs/dbraw/zinc/11/52/06/209115206.db2.gz KORBUFFAWXBKDH-ABYSCFCFSA-N 0 0 389.307 6.022 40 10 GKCBRN CCN(CC)c1ccc(CNC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 ZINC000224414726 206020704 /nfs/dbraw/zinc/02/07/04/206020704.db2.gz PFODSNATMDRUNH-NCELDCMTSA-N 0 0 384.523 5.390 40 10 GKCBRN C[C@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225654061 206064592 /nfs/dbraw/zinc/06/45/92/206064592.db2.gz JIFLHQQKOLWJND-INIZCTEOSA-N 0 0 387.980 5.624 40 10 GKCBRN COc1cc(C)c(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1C(C)C ZINC000225667636 206066256 /nfs/dbraw/zinc/06/62/56/206066256.db2.gz WZHZPTBVHNSROJ-GOSISDBHSA-N 0 0 394.559 5.293 40 10 GKCBRN COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000111441911 211673344 /nfs/dbraw/zinc/67/33/44/211673344.db2.gz ZTIUKDUSOARIJB-MDZRGWNJSA-N 0 0 386.289 5.293 40 10 GKCBRN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Cl)c(Cl)c1 ZINC000101148256 206217143 /nfs/dbraw/zinc/21/71/43/206217143.db2.gz BDIQOELWEKHISS-NTEUORMPSA-N 0 0 380.662 5.365 40 10 GKCBRN O=C1/C(=C\c2c3ccccc3cc3ccccc32)SC(=S)N1c1ccccc1 ZINC000005005729 211557899 /nfs/dbraw/zinc/55/78/99/211557899.db2.gz IUEHWPYSPQGJLD-PXLXIMEGSA-N 0 0 397.524 6.399 40 10 GKCBRN CC(C)(C)NC(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000004697724 211551073 /nfs/dbraw/zinc/55/10/73/211551073.db2.gz HNNCPZGFJKCWIJ-UHFFFAOYSA-N 0 0 379.463 5.618 40 10 GKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000009188533 206776728 /nfs/dbraw/zinc/77/67/28/206776728.db2.gz MTSFMCYFNVPULR-AQTBWJFISA-N 0 0 386.517 5.078 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000014165803 207012770 /nfs/dbraw/zinc/01/27/70/207012770.db2.gz AAPAYTYTDVLTTC-TYILLQQXSA-N 0 0 388.294 5.997 40 10 GKCBRN Fc1ccccc1CN(Cc1cccnc1)Cc1ccc(N2CCCC2)c(F)c1 ZINC000019348710 207118969 /nfs/dbraw/zinc/11/89/69/207118969.db2.gz VTNDRZVMMCANIM-UHFFFAOYSA-N 0 0 393.481 5.162 40 10 GKCBRN CN(C)c1ccc([C@@H]2N[C@@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716531 207383303 /nfs/dbraw/zinc/38/33/03/207383303.db2.gz FAGJDMXDGJEHOM-IZZNHLLZSA-N 0 0 380.491 5.676 40 10 GKCBRN CN(C)c1ccc([C@@H]2N[C@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716536 207384531 /nfs/dbraw/zinc/38/45/31/207384531.db2.gz FAGJDMXDGJEHOM-CLJLJLNGSA-N 0 0 380.491 5.676 40 10 GKCBRN COc1ccc(OC)c2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000014472732 532995889 /nfs/dbraw/zinc/99/58/89/532995889.db2.gz ZTAVRMMFIWCYAC-QHRIQVFBSA-N 0 0 386.835 5.092 40 10 GKCBRN Cc1nn(C(=O)c2ccncc2)c(C)c1/N=N\c1ccc(-c2ccc(N)cc2)cc1 ZINC000104201118 208430839 /nfs/dbraw/zinc/43/08/39/208430839.db2.gz YIDXSVDWBPFDOZ-RQZHXJHFSA-N 0 0 396.454 5.248 40 10 GKCBRN COc1ccc([C@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000001461883 220497614 /nfs/dbraw/zinc/49/76/14/220497614.db2.gz CBOIWRUQWHIBNW-ZJNRKIDTSA-N 0 0 390.361 5.449 40 10 GKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1 ZINC000002317891 220522772 /nfs/dbraw/zinc/52/27/72/220522772.db2.gz AKBGWCHTHGBVRW-WLVMFVESSA-N 0 0 396.581 5.495 40 10 GKCBRN C[C@H](NC(=S)Nc1c(F)cccc1F)c1ccc(N2CCC(C)CC2)cc1 ZINC000225655761 208966453 /nfs/dbraw/zinc/96/64/53/208966453.db2.gz VZZMTVWUWXFURP-HNNXBMFYSA-N 0 0 389.515 5.249 40 10 GKCBRN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1cccc3ccccc31)[C@@H]1CC=C[C@H]21 ZINC000004852936 220776304 /nfs/dbraw/zinc/77/63/04/220776304.db2.gz XRNWIAUEQWYFBT-NOXFTYBFSA-N 0 0 386.451 5.973 40 10 GKCBRN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000005739725 220896625 /nfs/dbraw/zinc/89/66/25/220896625.db2.gz AFLILLIOSZXDJY-DEDYPNTBSA-N 0 0 390.533 5.250 40 10 GKCBRN Cc1ccccc1[C@@H](Nc1ccccn1)c1cc(Cl)c2cccnc2c1O ZINC000008036178 221024603 /nfs/dbraw/zinc/02/46/03/221024603.db2.gz YVABSISGPJUKGO-HXUWFJFHSA-N 0 0 375.859 5.499 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)c1 ZINC000008306372 221035537 /nfs/dbraw/zinc/03/55/37/221035537.db2.gz MRAFBBKHKWZRAA-NVNXTCNLSA-N 0 0 380.321 5.708 40 10 GKCBRN Cc1ccccc1NC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21 ZINC000012463121 221198396 /nfs/dbraw/zinc/19/83/96/221198396.db2.gz XWTWCLAEJRUAPM-YHELAOLJSA-N 0 0 382.507 5.400 40 10 GKCBRN CCNc1ccc2ccccc2c1/N=N\c1ccc(/N=N/c2ccccc2)cc1 ZINC000012405057 221188616 /nfs/dbraw/zinc/18/86/16/221188616.db2.gz VKWNTWQXVLKCSG-TZZNUMCQSA-N 0 0 379.467 8.102 40 10 GKCBRN Cc1ccccc1/N=N/c1ccc(/N=N/c2ccc(N)c3ccccc23)c(C)c1 ZINC000018168244 221388144 /nfs/dbraw/zinc/38/81/44/221388144.db2.gz MGOWCALAJHKIEV-ZDXBJJIESA-N 0 0 379.467 7.870 40 10 GKCBRN COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCc1ccccc1 ZINC000408905602 533241078 /nfs/dbraw/zinc/24/10/78/533241078.db2.gz ZSILUVGYJFJNMI-PXLXIMEGSA-N 0 0 398.462 5.080 40 10 GKCBRN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000409066055 533265499 /nfs/dbraw/zinc/26/54/99/533265499.db2.gz GUGZALZQKUHTAB-JWGURIENSA-N 0 0 393.527 5.373 40 10 GKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000408769762 533266442 /nfs/dbraw/zinc/26/64/42/533266442.db2.gz OOENNUMXLPGOBA-HMAPJEAMSA-N 0 0 389.495 5.304 40 10 GKCBRN COc1ccc2cc(C3=C/C(=C/c4cccc5ccccc45)C(=O)O3)ccc2c1 ZINC000408722593 533326285 /nfs/dbraw/zinc/32/62/85/533326285.db2.gz LNIYNFVRWFESBZ-HMAPJEAMSA-N 0 0 378.427 5.983 40 10 GKCBRN COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OC(C)C ZINC000409329208 533472625 /nfs/dbraw/zinc/47/26/25/533472625.db2.gz CBGQDZZSERRPPQ-LDADJPATSA-N 0 0 391.558 5.016 40 10 GKCBRN COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1C ZINC000409349125 533472877 /nfs/dbraw/zinc/47/28/77/533472877.db2.gz UNFLUNFIFDCHGL-LICLKQGHSA-N 0 0 387.551 5.131 40 10 GKCBRN C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc21 ZINC000208219346 136202776 /nfs/dbraw/zinc/20/27/76/136202776.db2.gz NOGPQGDXVWRLNL-HYTQYMIGSA-N 0 0 392.524 5.650 40 10 GKCBRN C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000217858720 136203484 /nfs/dbraw/zinc/20/34/84/136203484.db2.gz HLEXTUKPZQSOCD-MOPGFXCFSA-N 0 0 378.560 5.711 40 10 GKCBRN C[C@H](NC(=O)CSCc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218010147 136203513 /nfs/dbraw/zinc/20/35/13/136203513.db2.gz PNBXMQMHRAQTCD-MOPGFXCFSA-N 0 0 382.573 5.034 40 10 GKCBRN Cc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218139945 136203544 /nfs/dbraw/zinc/20/35/44/136203544.db2.gz KZCYXRIMXUQJNT-AQNXPRMDSA-N 0 0 396.600 5.589 40 10 GKCBRN C[C@H](NC(=O)CCSc1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218081442 136203560 /nfs/dbraw/zinc/20/35/60/136203560.db2.gz SFDKWEXUXOKMAV-IBGZPJMESA-N 0 0 382.573 5.283 40 10 GKCBRN C[C@@H](NC(=O)CCSc1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218081370 136203577 /nfs/dbraw/zinc/20/35/77/136203577.db2.gz SFDKWEXUXOKMAV-LJQANCHMSA-N 0 0 382.573 5.283 40 10 GKCBRN Cc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218139874 136203582 /nfs/dbraw/zinc/20/35/82/136203582.db2.gz KZCYXRIMXUQJNT-HSALFYBXSA-N 0 0 396.600 5.589 40 10 GKCBRN C[C@@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218058671 136203613 /nfs/dbraw/zinc/20/36/13/136203613.db2.gz PMPVZDADXJLBQV-QRVBRYPASA-N 0 0 382.573 5.281 40 10 GKCBRN CC(C)Oc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218984987 136203904 /nfs/dbraw/zinc/20/39/04/136203904.db2.gz CFIKMMMRRVCZFQ-MOPGFXCFSA-N 0 0 380.532 5.201 40 10 GKCBRN C[C@@H](NC(=O)CCSCc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218998472 136203941 /nfs/dbraw/zinc/20/39/41/136203941.db2.gz RBNWDWCBUHYZNZ-WOJBJXKFSA-N 0 0 396.600 5.424 40 10 GKCBRN Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000219071371 136204042 /nfs/dbraw/zinc/20/40/42/136204042.db2.gz XRCYKFYDZIUYCA-SFTDATJTSA-N 0 0 394.559 5.184 40 10 GKCBRN CCc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219295072 136204122 /nfs/dbraw/zinc/20/41/22/136204122.db2.gz MMSCLYVHIRJMJF-VAMGGRTRSA-N 0 0 394.559 5.130 40 10 GKCBRN CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219317491 136204180 /nfs/dbraw/zinc/20/41/80/136204180.db2.gz WLYFEMUVLZVDLH-NMMYMHLASA-N 0 0 394.559 5.266 40 10 GKCBRN Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1C ZINC000219310093 136204190 /nfs/dbraw/zinc/20/41/90/136204190.db2.gz IQHWNWMGMVKYFD-DUXKGJEZSA-N 0 0 394.559 5.184 40 10 GKCBRN Cc1cc(C)cc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000219549263 136204301 /nfs/dbraw/zinc/20/43/01/136204301.db2.gz MCWSLYIZCGWAIR-NHCUHLMSSA-N 0 0 394.559 5.184 40 10 GKCBRN C[C@@H](NC(=O)CCc1ccccc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000220018726 136204590 /nfs/dbraw/zinc/20/45/90/136204590.db2.gz ZPFJREOHGYGNTC-QZTJIDSGSA-N 0 0 384.951 5.386 40 10 GKCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCCC4)cc3)N21 ZINC000222690797 136204879 /nfs/dbraw/zinc/20/48/79/136204879.db2.gz XFMSHWWJZBWOAE-STZQEDGTSA-N 0 0 392.572 5.051 40 10 GKCBRN CC(C)c1ccccc1OCC(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000222812421 136205028 /nfs/dbraw/zinc/20/50/28/136205028.db2.gz CEOCPJHNWLDHJJ-WOJBJXKFSA-N 0 0 394.559 5.303 40 10 GKCBRN COc1ccc(CCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C ZINC000223416785 136205756 /nfs/dbraw/zinc/20/57/56/136205756.db2.gz NFRRIDKBWNOCSU-FQEVSTJZSA-N 0 0 394.559 5.050 40 10 GKCBRN Cc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C ZINC000223855409 136205924 /nfs/dbraw/zinc/20/59/24/136205924.db2.gz MDAJPDSXPXEGTB-WIYYLYMNSA-N 0 0 378.560 5.350 40 10 GKCBRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C ZINC000224318232 136206648 /nfs/dbraw/zinc/20/66/48/136206648.db2.gz CKRRGVVXVSNEKN-LJQANCHMSA-N 0 0 380.532 5.121 40 10 GKCBRN O=C1c2ccccc2C(=O)c2c(Oc3ccccc3)cc3oc4ccccc4c3c21 ZINC000078546371 222297455 /nfs/dbraw/zinc/29/74/55/222297455.db2.gz FRVZOOZRDLMOPC-UHFFFAOYSA-N 0 0 390.394 6.154 40 10 GKCBRN Cc1ccccc1N=Nc1ccc(NN=C2C(=O)C=Cc3ccccc32)c(C)c1 ZINC000100048784 222455742 /nfs/dbraw/zinc/45/57/42/222455742.db2.gz RCTGMCJBQGBLKT-COGCMUBNSA-N 0 0 380.451 7.993 40 10 GKCBRN Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21 ZINC000409169942 533751039 /nfs/dbraw/zinc/75/10/39/533751039.db2.gz TUYHKCMCTRLTDF-MVERNJQCSA-N 0 0 383.560 7.114 40 10 GKCBRN COc1cccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@@H]32)c1OC ZINC000409163043 533759973 /nfs/dbraw/zinc/75/99/73/533759973.db2.gz LATHLXYNBNJDJJ-BIENJYKASA-N 0 0 375.390 5.549 40 10 GKCBRN COc1cccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)c1OC ZINC000409151205 533760176 /nfs/dbraw/zinc/76/01/76/533760176.db2.gz GUURDRDKXQYSLP-FTLABTOESA-N 0 0 386.835 5.092 40 10 GKCBRN COc1ccc(Cl)c2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000409169112 533831105 /nfs/dbraw/zinc/83/11/05/533831105.db2.gz PVAKMLJJAZTCMY-FTLABTOESA-N 0 0 391.254 5.737 40 10 GKCBRN COC(=O)c1ccc(/C=C2\C=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc1 ZINC000409055490 533959296 /nfs/dbraw/zinc/95/92/96/533959296.db2.gz YYJGZXXFUCUDMU-PXLXIMEGSA-N 0 0 382.415 5.122 40 10 GKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2cccc(C)c2)cc1 ZINC000408842932 533994111 /nfs/dbraw/zinc/99/41/11/533994111.db2.gz LYZQMUABGSWLOA-XQNSMLJCSA-N 0 0 382.463 5.147 40 10 GKCBRN COc1ccc(NC=C2C(=O)N(c3ccc(C)c(Cl)c3)N=C2C)cc1Cl ZINC000408533496 533994483 /nfs/dbraw/zinc/99/44/83/533994483.db2.gz SQGLURSXJAYUBJ-GDNBJRDFSA-N 0 0 390.270 5.029 40 10 GKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000409151615 534064476 /nfs/dbraw/zinc/06/44/76/534064476.db2.gz IAXUJNZTYJKWOR-IZDJOXEWSA-N 0 0 388.294 5.915 40 10 GKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000409161605 534065298 /nfs/dbraw/zinc/06/52/98/534065298.db2.gz WMYPBDMGCRPFAI-CKNLXJGOSA-N 0 0 398.846 5.170 40 10 GKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(C)(C)C)cc1)N2 ZINC000409150469 534163323 /nfs/dbraw/zinc/16/33/23/534163323.db2.gz BXZVVSPXUQRWSB-LLGFUMIMSA-N 0 0 395.930 6.251 40 10 GKCBRN COC(=O)c1ccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409172145 534242697 /nfs/dbraw/zinc/24/26/97/534242697.db2.gz IMFZUZDKGUAAFR-GPXNEJASSA-N 0 0 381.475 5.967 40 10 GKCBRN COC(=O)c1ccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000409172144 534242699 /nfs/dbraw/zinc/24/26/99/534242699.db2.gz IMFZUZDKGUAAFR-AKFKNWHVSA-N 0 0 381.475 5.967 40 10 GKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000409155836 534249601 /nfs/dbraw/zinc/24/96/01/534249601.db2.gz DHCHVTNVWXKJQN-STXHMFSFSA-N 0 0 398.846 5.170 40 10 GKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21 ZINC000409164419 534249825 /nfs/dbraw/zinc/24/98/25/534249825.db2.gz IEHOIXUOWPAOTB-MBOZVWFJSA-N 0 0 398.300 5.371 40 10 GKCBRN COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000409165225 534249904 /nfs/dbraw/zinc/24/99/04/534249904.db2.gz UZNIWXRIUPADPK-LPMFXHHGSA-N 0 0 384.273 5.062 40 10 GKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000409155835 534250084 /nfs/dbraw/zinc/25/00/84/534250084.db2.gz DHCHVTNVWXKJQN-QEEYODRMSA-N 0 0 398.846 5.170 40 10 GKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 ZINC000409164418 534250251 /nfs/dbraw/zinc/25/02/51/534250251.db2.gz IEHOIXUOWPAOTB-FUHIMQAGSA-N 0 0 398.300 5.371 40 10 GKCBRN COC(=O)c1cccc(-n2c(C)ccc2-c2ccc(Br)cc2)c1C ZINC000408967229 534252907 /nfs/dbraw/zinc/25/29/07/534252907.db2.gz RHDBSLIPARQAGH-UHFFFAOYSA-N 0 0 384.273 5.310 40 10 GKCBRN Cc1noc(C)c1CCC(=O)Nc1ccc(C)cc1/N=N/c1ccc(C)cc1 ZINC000102952820 518194022 /nfs/dbraw/zinc/19/40/22/518194022.db2.gz RCGVQINBNGIVNB-OCOZRVBESA-N 0 0 376.460 5.895 40 10 GKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000409163212 534420287 /nfs/dbraw/zinc/42/02/87/534420287.db2.gz NQEOOSDZVOGYQB-PBFPGSCMSA-N 0 0 384.228 6.839 40 10 GKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000409172335 534420381 /nfs/dbraw/zinc/42/03/81/534420381.db2.gz COKITBRWQGBWJV-IGCXYCKISA-N 0 0 384.228 6.839 40 10 GKCBRN Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c4c(cccc41)CC3)N2 ZINC000408736250 534630396 /nfs/dbraw/zinc/63/03/96/534630396.db2.gz NVAIXEUJJGYKMN-WLENULPWSA-N 0 0 392.329 7.072 40 10 GKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@@H]21 ZINC000409166402 534630962 /nfs/dbraw/zinc/63/09/62/534630962.db2.gz DPCNUKCUJXGREI-SEDUGSJDSA-N 0 0 385.121 7.127 40 10 GKCBRN O=C1Nc2ccccc2/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000409112458 534803095 /nfs/dbraw/zinc/80/30/95/534803095.db2.gz GJCXQASMDSSCMR-BKUYFWCQSA-N 0 0 395.418 5.091 40 10 GKCBRN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 ZINC000408740955 534805438 /nfs/dbraw/zinc/80/54/38/534805438.db2.gz FPCQWOMIEZEYDB-RVDMUPIBSA-N 0 0 383.230 6.235 40 10 GKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@@H]32)ccc1Cl ZINC000014470665 534880590 /nfs/dbraw/zinc/88/05/90/534880590.db2.gz BEPUDCHYQJGFAV-PZROIBLQSA-N 0 0 395.673 6.382 40 10 GKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@@H]32)ccc1Cl ZINC000409154572 534880642 /nfs/dbraw/zinc/88/06/42/534880642.db2.gz BKICEPSKDSEQTO-PEBVRCNWSA-N 0 0 394.780 6.094 40 10 GKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@H]32)ccc1Cl ZINC000409154577 534880772 /nfs/dbraw/zinc/88/07/72/534880772.db2.gz BKICEPSKDSEQTO-QFSBIZTOSA-N 0 0 394.780 6.094 40 10 GKCBRN O=[N+]([O-])c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000409174234 534883142 /nfs/dbraw/zinc/88/31/42/534883142.db2.gz MFPQQNVJYWKPFJ-ZQIUZPCESA-N 0 0 389.224 5.323 40 10 GKCBRN C1=C[C@H]2c3cc(Oc4ccccc4)ccc3N[C@@H](c3ccc4c(c3)OCO4)[C@H]2C1 ZINC000408736051 526420070 /nfs/dbraw/zinc/42/00/70/526420070.db2.gz CEUMKBJMUATTGL-RNHFSVANSA-N 0 0 383.447 6.034 40 10 GKCBRN CC(C)(C)c1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409155150 526790028 /nfs/dbraw/zinc/79/00/28/526790028.db2.gz CFYLNFWFHFPOPA-UWVAXJGDSA-N 0 0 382.891 6.372 40 10 GKCBRN CC(Nc1ccc(Cl)c(Cl)c1)=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000112120358 527540661 /nfs/dbraw/zinc/54/06/61/527540661.db2.gz BISZNJXDBUIQJH-YVLHZVERSA-N 0 0 378.234 5.241 40 10 GKCBRN CC1(C)Cc2c(cc(-c3ccccc3)n2-c2ccccc2Br)C(=O)C1 ZINC000408720837 527771668 /nfs/dbraw/zinc/77/16/68/527771668.db2.gz FHZQPBBCBKDJMG-UHFFFAOYSA-N 0 0 394.312 6.062 40 10 GKCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(C)c(C)c1 ZINC000112123452 528065536 /nfs/dbraw/zinc/06/55/36/528065536.db2.gz BSUUMINKFFGOPA-PGMHBOJBSA-N 0 0 392.459 5.100 40 10 GKCBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cccc(Cl)c1C ZINC000103919033 528065587 /nfs/dbraw/zinc/06/55/87/528065587.db2.gz WTXXCQKTGAZKAR-QNGOZBTKSA-N 0 0 397.906 5.546 40 10 GKCBRN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(F)cc1 ZINC000103918883 528067118 /nfs/dbraw/zinc/06/71/18/528067118.db2.gz LJNWPZNDOFFUOY-UYRXBGFRSA-N 0 0 394.475 5.324 40 10 GKCBRN CC(C)COC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000408998881 528071901 /nfs/dbraw/zinc/07/19/01/528071901.db2.gz PFVMVYIKQVHXIX-NZXNHFJFSA-N 0 0 394.475 5.298 40 10 GKCBRN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)cc1 ZINC000408737582 528108443 /nfs/dbraw/zinc/10/84/43/528108443.db2.gz FCNVXFNGKKHVRU-CJLVFECKSA-N 0 0 399.921 6.935 40 10 GKCBRN CC(C)COc1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1 ZINC000408744361 528142243 /nfs/dbraw/zinc/14/22/43/528142243.db2.gz YAPFYICMOAWQJF-GZTJUZNOSA-N 0 0 399.284 5.465 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccccc2F)c1 ZINC000100147904 528150177 /nfs/dbraw/zinc/15/01/77/528150177.db2.gz JMDIHSQWMBSYSZ-JCMHNJIXSA-N 0 0 386.426 5.211 40 10 GKCBRN CCCN1C(=O)/C(=C/c2ccccc2OCc2cccc(C)c2)SC1=S ZINC000409351163 528161836 /nfs/dbraw/zinc/16/18/36/528161836.db2.gz ZSVUPHPMVMLGSH-UYRXBGFRSA-N 0 0 383.538 5.185 40 10 GKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OC ZINC000409346069 528196403 /nfs/dbraw/zinc/19/64/03/528196403.db2.gz NGPLJBSOWVEKRG-XDHOZWIPSA-N 0 0 399.537 5.117 40 10 GKCBRN CC(C)Oc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736620 528205931 /nfs/dbraw/zinc/20/59/31/528205931.db2.gz XSBKWNPQUHRFEH-LQWHRVPQSA-N 0 0 384.317 6.063 40 10 GKCBRN CC(C)Oc1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736445 528206116 /nfs/dbraw/zinc/20/61/16/528206116.db2.gz SZUKTZBCXHXSJM-DXBVXKBHSA-N 0 0 397.518 7.093 40 10 GKCBRN CC(C)Oc1ccccc1/C=C1/SC(=S)N(c2cccc(Cl)c2)C1=O ZINC000409349770 528245100 /nfs/dbraw/zinc/24/51/00/528245100.db2.gz WDOIATDPAUVSRF-LICLKQGHSA-N 0 0 389.929 5.533 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1ccc(OCC(C)C)cc1)[C@H]1CC=C[C@@H]21 ZINC000408736158 528258085 /nfs/dbraw/zinc/25/80/85/528258085.db2.gz IUTBHJYJIAUXHL-QTEQDKRBSA-N 0 0 391.511 5.725 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 ZINC000408736106 528258370 /nfs/dbraw/zinc/25/83/70/528258370.db2.gz FNISTTBVVFBRPQ-BIENJYKASA-N 0 0 388.294 5.997 40 10 GKCBRN CCN(CC)c1ccc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)cc1 ZINC000408974232 528292987 /nfs/dbraw/zinc/29/29/87/528292987.db2.gz DMRJPQLIQGHMIF-LGMDPLHJSA-N 0 0 398.300 5.277 40 10 GKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(F)c(C)c3)C2=O)cc1 ZINC000408987025 528370298 /nfs/dbraw/zinc/37/02/98/528370298.db2.gz USIURMZAWGCLEX-LTGZKZEYSA-N 0 0 399.465 6.004 40 10 GKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000408986661 528370443 /nfs/dbraw/zinc/37/04/43/528370443.db2.gz SDBVVEKWBNVXTB-HAVVHWLPSA-N 0 0 395.502 6.173 40 10 GKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3OC)C2=O)cc1 ZINC000408987310 528370647 /nfs/dbraw/zinc/37/06/47/528370647.db2.gz WFMWMYLSIVRWRO-HEHNFIMWSA-N 0 0 397.474 5.565 40 10 GKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(C)c3)C2=O)cc1 ZINC000408986413 528370834 /nfs/dbraw/zinc/37/08/34/528370834.db2.gz QNOJWOHJLVKTJT-OQKWZONESA-N 0 0 381.475 5.865 40 10 GKCBRN CCOc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc1 ZINC000409340269 528370944 /nfs/dbraw/zinc/37/09/44/528370944.db2.gz TWTGGNZUYUMITI-ZHZULCJRSA-N 0 0 391.517 5.644 40 10 GKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2ccc(C)cc2)cc1 ZINC000408843015 528483166 /nfs/dbraw/zinc/48/31/66/528483166.db2.gz QADHUTURZFHBLC-JJIBRWJFSA-N 0 0 396.490 5.537 40 10 GKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CC)cc1 ZINC000409056482 528616207 /nfs/dbraw/zinc/61/62/07/528616207.db2.gz GUWRJQJBLUNJJJ-JCMHNJIXSA-N 0 0 389.495 5.133 40 10 GKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1c(F)cccc1Cl ZINC000408892297 528616441 /nfs/dbraw/zinc/61/64/41/528616441.db2.gz HVTUXMSQNDSABK-SFQUDFHCSA-N 0 0 399.849 5.055 40 10 GKCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 ZINC000408996938 528616996 /nfs/dbraw/zinc/61/69/96/528616996.db2.gz FNRQBUZRWDZTSR-PGMHBOJBSA-N 0 0 389.495 5.251 40 10 GKCBRN CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1 ZINC000409342996 528642101 /nfs/dbraw/zinc/64/21/01/528642101.db2.gz GFIOVIGBVUEKHG-RGEXLXHISA-N 0 0 399.537 5.280 40 10 GKCBRN CCN1C(=O)C(=CC2=CC(=NNc3ccc(C)c(C)c3)C=CC2=O)SC1=S ZINC000408728116 528942329 /nfs/dbraw/zinc/94/23/29/528942329.db2.gz VTMYFXXLUKECQU-CXSMVCKMSA-N 0 0 397.525 5.646 40 10 GKCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)c2ccccc21 ZINC000409198144 528943058 /nfs/dbraw/zinc/94/30/58/528943058.db2.gz YCIADRGJHDIWHG-XSFVSMFZSA-N 0 0 390.914 5.963 40 10 GKCBRN CCN1C(=O)/C(=C\c2c(C)n(Cc3ccccc3)c3ccccc23)SC1=S ZINC000409334953 528944779 /nfs/dbraw/zinc/94/47/79/528944779.db2.gz XBHKWSNBGULVSQ-DEDYPNTBSA-N 0 0 392.549 5.219 40 10 GKCBRN CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C1=O ZINC000409096154 528953619 /nfs/dbraw/zinc/95/36/19/528953619.db2.gz JABUBDSTWDFWGC-LZYBPNLTSA-N 0 0 395.311 5.457 40 10 GKCBRN CCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C1=O ZINC000409074735 528953815 /nfs/dbraw/zinc/95/38/15/528953815.db2.gz VGGCFZOURLTKAO-LZYBPNLTSA-N 0 0 395.311 5.457 40 10 GKCBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1 ZINC000409338571 529191886 /nfs/dbraw/zinc/19/18/86/529191886.db2.gz MJASRHPMFCYZCG-CCNLRRDASA-N 0 0 383.538 5.578 40 10 GKCBRN CC[C@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2cccc(C)c2)C1=O ZINC000409327772 529197248 /nfs/dbraw/zinc/19/72/48/529197248.db2.gz MSHFDWWZABJABQ-CCNLRRDASA-N 0 0 383.538 5.578 40 10 GKCBRN CC[C@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2ccc(OC)cc2)C1=O ZINC000409329030 529197530 /nfs/dbraw/zinc/19/75/30/529197530.db2.gz CAUXDVVTMPLCJY-QIQQCEGHSA-N 0 0 399.537 5.278 40 10 GKCBRN CC(C)Oc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218985013 534982727 /nfs/dbraw/zinc/98/27/27/534982727.db2.gz CFIKMMMRRVCZFQ-RTBURBONSA-N 0 0 380.532 5.201 40 10 GKCBRN CCCN1C(=O)S/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)C1=O ZINC000208257303 535346581 /nfs/dbraw/zinc/34/65/81/535346581.db2.gz BSQHNZYHJAJIGK-CHROMADKSA-N 0 0 392.952 5.508 40 10 GKCBRN CCN1c2cc(C)c(/C=C3/C(=O)N(c4ccccc4)N=C3C)cc2C(C)=CC1(C)C ZINC000208523050 535785022 /nfs/dbraw/zinc/78/50/22/535785022.db2.gz YGKYHXNTDBYAJN-HZHRSRAPSA-N 0 0 399.538 5.823 40 10 GKCBRN CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219294982 535972123 /nfs/dbraw/zinc/97/21/23/535972123.db2.gz MMSCLYVHIRJMJF-AABGKKOBSA-N 0 0 394.559 5.130 40 10 GKCBRN CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219595724 536045520 /nfs/dbraw/zinc/04/55/20/536045520.db2.gz CAWAOBYYIJPRTC-REHUZNOOSA-N 0 0 394.559 5.266 40 10 GKCBRN CC(=O)Nc1ccc2c(c1)/C(=C/C=C/c1ccc(N(C)C)cc1)c1ccccc1-2 ZINC000001608846 570265705 /nfs/dbraw/zinc/26/57/05/570265705.db2.gz KAMGWGIWDCGLRR-AFNSXZPZSA-N 0 0 380.491 5.837 40 10 GKCBRN COc1ccccc1/C=C1/SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000002249667 570280437 /nfs/dbraw/zinc/28/04/37/570280437.db2.gz MVXCJEUANXSRPT-OVCLIPMQSA-N 0 0 396.320 5.408 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000020704120 570280860 /nfs/dbraw/zinc/28/08/60/570280860.db2.gz BHRXMIDXOMOTRP-PJIJBLCYSA-N 0 0 385.807 5.291 40 10 GKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21 ZINC000020680577 570280874 /nfs/dbraw/zinc/28/08/74/570280874.db2.gz WZSGZIHCRBPGCB-HBUWYVDXSA-N 0 0 395.127 6.582 40 10 GKCBRN Brc1cccc2c1N[C@H](c1cccc3ccccc31)[C@H]1CC=C[C@@H]21 ZINC000020698711 570280892 /nfs/dbraw/zinc/28/08/92/570280892.db2.gz YMYMFRMECUUBCQ-PLMTUMEDSA-N 0 0 376.297 6.429 40 10 GKCBRN Cc1c(Cl)ccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000020705822 570281006 /nfs/dbraw/zinc/28/10/06/570281006.db2.gz MYMALMHOEMGZNE-VPZZIHKRSA-N 0 0 375.255 6.037 40 10 GKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 ZINC000020711317 570281385 /nfs/dbraw/zinc/28/13/85/570281385.db2.gz HZWPBGIAGPBLGI-YRUZYCQGSA-N 0 0 385.121 7.127 40 10 GKCBRN Cc1cccc(N=Nc2ccc(NN=C3C(=O)C=Cc4ccccc43)cc2C)c1 ZINC000104187921 570298719 /nfs/dbraw/zinc/29/87/19/570298719.db2.gz NHXXLZBKTKNTEF-MPCWFZQZSA-N 0 0 380.451 7.993 40 10 GKCBRN CCN(CC)C(=S)n1nc(C)c(/N=N\c2cccc(Cl)c2Cl)c1C ZINC000104225916 570299393 /nfs/dbraw/zinc/29/93/93/570299393.db2.gz NSTOWZXLMQCTGH-VXPUYCOJSA-N 0 0 384.336 5.697 40 10 GKCBRN Cc1ccccc1/N=N\c1ccc(/N=N\c2c(N)ccc3ccccc32)c(C)c1 ZINC000104389482 570302614 /nfs/dbraw/zinc/30/26/14/570302614.db2.gz RFBJKPNUSZNPEU-MBBAZXQCSA-N 0 0 379.467 7.870 40 10 GKCBRN Cc1ccc(C)n1-c1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072216853 570317809 /nfs/dbraw/zinc/31/78/09/570317809.db2.gz HIIOYQYEZCEDDO-JOCHJYFZSA-N 0 0 389.499 5.353 40 10 GKCBRN CC(C)N(Cc1cccc(Br)c1)c1ccc2c(c1)OC(F)(F)O2 ZINC000585090170 570319600 /nfs/dbraw/zinc/31/96/00/570319600.db2.gz AIPGMTOFYVODNI-UHFFFAOYSA-N 0 0 384.220 5.186 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C/c3c(F)cccc3Cl)SC2=S)cc1C ZINC000003768850 570350739 /nfs/dbraw/zinc/35/07/39/570350739.db2.gz NURIPYAWISEHLM-SXGWCWSVSA-N 0 0 377.893 5.502 40 10 GKCBRN O=[N+]([O-])c1ccc([C@H]2Nc3ccc(OC(F)(F)F)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000004081963 570356706 /nfs/dbraw/zinc/35/67/06/570356706.db2.gz FQCUSEMHJCASRV-HDMKZQKVSA-N 0 0 376.334 5.320 40 10 GKCBRN CC(C)c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000006347607 570359531 /nfs/dbraw/zinc/35/95/31/570359531.db2.gz FSXIGBADLMNPPA-QKLQHJQFSA-N 0 0 386.308 6.538 40 10 GKCBRN O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccccc1Cl ZINC000004514357 570380816 /nfs/dbraw/zinc/38/08/16/570380816.db2.gz GYEKGFSMPHAOKN-CPNJWEJPSA-N 0 0 398.915 5.177 40 10 GKCBRN COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3cccc(C)c3)C2=O)cc1 ZINC000408755740 570393601 /nfs/dbraw/zinc/39/36/01/570393601.db2.gz PAKAIWYJOTZKML-XQNSMLJCSA-N 0 0 382.463 5.147 40 10 GKCBRN O=C1/C(=C\c2ccccc2)N=C(c2ccccc2Cl)N1c1ccc(Cl)cc1 ZINC000408755484 570393694 /nfs/dbraw/zinc/39/36/94/570393694.db2.gz NYRCCJBFPGLIIS-XSFVSMFZSA-N 0 0 393.273 5.828 40 10 GKCBRN COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 ZINC000408757074 570394370 /nfs/dbraw/zinc/39/43/70/570394370.db2.gz ZMEJUMPGINDPEP-RCCKNPSSSA-N 0 0 388.854 5.183 40 10 GKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccccc2)cc1 ZINC000408758435 570395242 /nfs/dbraw/zinc/39/52/42/570395242.db2.gz JYPOIJMBTMPDOJ-CJLVFECKSA-N 0 0 386.426 5.059 40 10 GKCBRN Cc1cccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000408756076 570396466 /nfs/dbraw/zinc/39/64/66/570396466.db2.gz XJKBFURPFWHSSR-KGENOOAVSA-N 0 0 390.845 5.622 40 10 GKCBRN Cc1cccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2ccc(F)cc2)c1 ZINC000408762405 570397467 /nfs/dbraw/zinc/39/74/67/570397467.db2.gz KETZKUMXOKJCMS-KGENOOAVSA-N 0 0 390.845 5.622 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccccc2Cl)c1 ZINC000408759957 570397731 /nfs/dbraw/zinc/39/77/31/570397731.db2.gz OVZLQVLMVPTGLK-CPNJWEJPSA-N 0 0 378.884 5.544 40 10 GKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2cccc(C)c2)cc1 ZINC000408762760 570397937 /nfs/dbraw/zinc/39/79/37/570397937.db2.gz GDYWSYLZWZBMLP-HAVVHWLPSA-N 0 0 382.463 5.228 40 10 GKCBRN O=C1/C(=C/c2ccco2)SC(=S)N1C1c2ccccc2Oc2ccccc21 ZINC000004783190 570405340 /nfs/dbraw/zinc/40/53/40/570405340.db2.gz JWKXNQGXMATCEE-PDGQHHTCSA-N 0 0 391.473 5.376 40 10 GKCBRN O=C1N=C(Nc2cc(Cl)ccc2Cl)SC1=Cc1c[nH]c2ccccc12 ZINC000038183510 570412526 /nfs/dbraw/zinc/41/25/26/570412526.db2.gz CMEWQEQDTFBKHA-FRKPEAEDSA-N 0 0 388.279 5.557 40 10 GKCBRN Fc1cccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)c1 ZINC000006970122 570415215 /nfs/dbraw/zinc/41/52/15/570415215.db2.gz XXMBUGAKYUAAAK-MPGHIAIKSA-N 0 0 391.227 5.257 40 10 GKCBRN Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccc1 ZINC000222611579 570416909 /nfs/dbraw/zinc/41/69/09/570416909.db2.gz WXSYUWDJCFGFQK-SSKFGXFMSA-N 0 0 388.540 5.078 40 10 GKCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N(CC)CC)cc3C)N21 ZINC000222647416 570418764 /nfs/dbraw/zinc/41/87/64/570418764.db2.gz JSXKZPHCVPSFTF-VOQZNFBZSA-N 0 0 394.588 5.216 40 10 GKCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N(CC)CC)cc3C)N21 ZINC000222647525 570418801 /nfs/dbraw/zinc/41/88/01/570418801.db2.gz JSXKZPHCVPSFTF-ZPMCFJSWSA-N 0 0 394.588 5.216 40 10 GKCBRN CCc1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1 ZINC000005371925 570435609 /nfs/dbraw/zinc/43/56/09/570435609.db2.gz XCGQVWVZRWDEEH-YBEGLDIGSA-N 0 0 394.348 5.962 40 10 GKCBRN Oc1c([C@H](Nc2ccccn2)c2ccc(C(F)(F)F)cc2)ccc2cccnc21 ZINC000001463363 570437387 /nfs/dbraw/zinc/43/73/87/570437387.db2.gz INVQPPWIRWLBBU-LJQANCHMSA-N 0 0 395.384 5.556 40 10 GKCBRN Cc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408758856 570455052 /nfs/dbraw/zinc/45/50/52/570455052.db2.gz SOFYKRGAVFHJEX-JJIBRWJFSA-N 0 0 395.506 5.204 40 10 GKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cccc(C)c4)ccc3o2)cc1 ZINC000006630094 570485311 /nfs/dbraw/zinc/48/53/11/570485311.db2.gz UZFSJQYSGANLEA-UHFFFAOYSA-N 0 0 399.494 5.902 40 10 GKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)Cc4ccccc4)ccc3o2)cc1 ZINC000006630087 570485410 /nfs/dbraw/zinc/48/54/10/570485410.db2.gz BDCUDXINKSEVBP-UHFFFAOYSA-N 0 0 399.494 5.522 40 10 GKCBRN COc1ccc(-c2nc(-c3ccc(N(C)C)cc3)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000000826724 570485482 /nfs/dbraw/zinc/48/54/82/570485482.db2.gz QCEMSHBBEHRIRK-UHFFFAOYSA-N 0 0 399.494 5.494 40 10 GKCBRN COc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000000871778 570502428 /nfs/dbraw/zinc/50/24/28/570502428.db2.gz ZVEKCJLWAYVIIO-JCGVRSQUSA-N 0 0 391.254 5.737 40 10 GKCBRN COc1cccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@@H]32)c1 ZINC000008168440 570523244 /nfs/dbraw/zinc/52/32/44/570523244.db2.gz QGDYQRUFKHVBSY-DEYYWGMASA-N 0 0 379.809 6.194 40 10 GKCBRN C[C@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc(N2CCC(C)CC2)cc1 ZINC000224861230 570534640 /nfs/dbraw/zinc/53/46/40/570534640.db2.gz KWNDRCOLZWHXIL-INIZCTEOSA-N 0 0 388.914 5.135 40 10 GKCBRN CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000002309948 570543377 /nfs/dbraw/zinc/54/33/77/570543377.db2.gz SOHRZVRLOILYOR-OYJUJUJPSA-N 0 0 386.471 5.383 40 10 GKCBRN CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000002413494 570544188 /nfs/dbraw/zinc/54/41/88/570544188.db2.gz OQFOSWWVQFIXKQ-DJYVGOLKSA-N 0 0 398.507 5.253 40 10 GKCBRN CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\N(Cc1ccccc1)c1ccccc1 ZINC000035183019 570550206 /nfs/dbraw/zinc/55/02/06/570550206.db2.gz RUWAEIPPMKLMSC-BWAHOGKJSA-N 0 0 395.506 5.617 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccccc3Br)SC2=S)c1 ZINC000009188470 570551305 /nfs/dbraw/zinc/55/13/05/570551305.db2.gz VYIMIIAHPAAQFF-GDNBJRDFSA-N 0 0 390.327 5.163 40 10 GKCBRN O=C(CCc1c(Cl)cccc1Cl)NCc1ccc(N2CCCCC2)cc1 ZINC000225353801 570566681 /nfs/dbraw/zinc/56/66/81/570566681.db2.gz JVRRMUCYGYYGTR-UHFFFAOYSA-N 0 0 391.342 5.233 40 10 GKCBRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000225426727 570572988 /nfs/dbraw/zinc/57/29/88/570572988.db2.gz NJRMOQZCIXJVAB-HXUWFJFHSA-N 0 0 394.559 5.192 40 10 GKCBRN CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000011859518 570588730 /nfs/dbraw/zinc/58/87/30/570588730.db2.gz CZGLGEGNYDKASX-NNMXDRDESA-N 0 0 380.919 5.649 40 10 GKCBRN CCOc1ccccc1NC(=S)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000225654336 570598526 /nfs/dbraw/zinc/59/85/26/570598526.db2.gz PBLNRBNKRWHUEY-SFHVURJKSA-N 0 0 397.588 5.369 40 10 GKCBRN CCOc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000225665121 570600254 /nfs/dbraw/zinc/60/02/54/570600254.db2.gz TVWGFYBWLMGCJR-QGZVFWFLSA-N 0 0 383.561 5.123 40 10 GKCBRN C[C@@H](NC(=S)Nc1ccccc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225667548 570600723 /nfs/dbraw/zinc/60/07/23/570600723.db2.gz OHNXZXXKAGBQSP-HZPDHXFCSA-N 0 0 387.980 5.624 40 10 GKCBRN CCN(CCCNC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccc(C)cc1 ZINC000225733967 570610552 /nfs/dbraw/zinc/61/05/52/570610552.db2.gz WXRRTZAVPLELFM-UHFFFAOYSA-N 0 0 395.494 5.217 40 10 GKCBRN O=C(Nc1c2ccccc2nc2ccccc21)c1cccc(Oc2ccccc2)c1 ZINC000005544887 570630252 /nfs/dbraw/zinc/63/02/52/570630252.db2.gz DOMGOXBQOKMFFB-UHFFFAOYSA-N 0 0 390.442 6.433 40 10 GKCBRN CCN(CC)C(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000004713405 570636638 /nfs/dbraw/zinc/63/66/38/570636638.db2.gz XJBAUSSMEHXNNK-UHFFFAOYSA-N 0 0 379.463 5.571 40 10 GKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21 ZINC000032121300 570642789 /nfs/dbraw/zinc/64/27/89/570642789.db2.gz JUZGYFWKGIPEEI-LXIYXOSZSA-N 0 0 391.254 5.737 40 10 GKCBRN COc1cccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)c1 ZINC000058851316 570648179 /nfs/dbraw/zinc/64/81/79/570648179.db2.gz XTWSENMZVRSWPT-VBHSOAQHSA-N 0 0 380.702 6.482 40 10 GKCBRN Clc1ccccc1[C@@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@@H]2C=CC[C@@H]21 ZINC000058851265 570648343 /nfs/dbraw/zinc/64/83/43/570648343.db2.gz UFFOIKXPICVCOH-GPHJXTMHSA-N 0 0 385.121 7.127 40 10 GKCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000058883904 570650252 /nfs/dbraw/zinc/65/02/52/570650252.db2.gz UTKPLNIFGAKWQP-NDENLUEZSA-N 0 0 395.886 5.341 40 10 GKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccccc21 ZINC000059182377 570651204 /nfs/dbraw/zinc/65/12/04/570651204.db2.gz KTCONJDIOGNNFZ-STZFKDTASA-N 0 0 376.887 5.655 40 10 GKCBRN Cc1cc(C)c2c(c1)N[C@@H](c1cc3c(cc1Br)OCO3)[C@H]1CC=C[C@H]21 ZINC000004959595 570653407 /nfs/dbraw/zinc/65/34/07/570653407.db2.gz KCONBCAFNVTJDZ-DGCWBMGLSA-N 0 0 398.300 5.621 40 10 GKCBRN COc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000004975159 570655404 /nfs/dbraw/zinc/65/54/04/570655404.db2.gz ZVEKCJLWAYVIIO-LXIYXOSZSA-N 0 0 391.254 5.737 40 10 GKCBRN COc1ccc([C@H]2Nc3c(Cl)c(Cl)ccc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000004975182 570655476 /nfs/dbraw/zinc/65/54/76/570655476.db2.gz LFYKIRDJFXQXEA-VNBZBWLYSA-N 0 0 391.254 5.737 40 10 GKCBRN CCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1 ZINC000059396927 570655586 /nfs/dbraw/zinc/65/55/86/570655586.db2.gz FFZDZNIYOXXWJR-RGEXLXHISA-N 0 0 399.537 5.280 40 10 GKCBRN CCCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2F)SC1=S ZINC000059418262 570656518 /nfs/dbraw/zinc/65/65/18/570656518.db2.gz PAWTWTSTGMGUFX-LDADJPATSA-N 0 0 387.501 5.016 40 10 GKCBRN Cc1ccc2c(c1)-c1c(ss/c1=N\c1cc(Cl)ccc1O)C(C)(C)N2 ZINC000059501095 570659435 /nfs/dbraw/zinc/65/94/35/570659435.db2.gz CGCQYKWPAJXONQ-UZYVYHOESA-N 0 0 388.945 6.037 40 10 GKCBRN C1=C[C@H]2c3cc(C45CC6CC(CC(C6)C4)C5)ccc3N[C@@H](c3ccncc3)[C@@H]2C1 ZINC000006615468 570671295 /nfs/dbraw/zinc/67/12/95/570671295.db2.gz FLVHIKUVQRUKBT-SFDINPOQSA-N 0 0 382.551 6.376 40 10 GKCBRN O=C1OC(c2ccccc2)=C/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000409053018 570695612 /nfs/dbraw/zinc/69/56/12/570695612.db2.gz WAUHNLQUHQOQGI-XSFVSMFZSA-N 0 0 388.850 5.900 40 10 GKCBRN Cc1ccc(/C=C2\C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc1[N+](=O)[O-] ZINC000409051799 570696156 /nfs/dbraw/zinc/69/61/56/570696156.db2.gz GJZWOINNEXFUSY-CPNJWEJPSA-N 0 0 399.402 5.677 40 10 GKCBRN O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000409052565 570708652 /nfs/dbraw/zinc/70/86/52/570708652.db2.gz KJFUZYCCQOYHHX-NBVRZTHBSA-N 0 0 385.375 5.368 40 10 GKCBRN COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000000871832 570709970 /nfs/dbraw/zinc/70/99/70/570709970.db2.gz ZTIUKDUSOARIJB-JTDSTZFVSA-N 0 0 386.289 5.293 40 10 GKCBRN CCN1C(=O)/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)SC1=S ZINC000005695005 570734481 /nfs/dbraw/zinc/73/44/81/570734481.db2.gz QZSZBBKFHOBBBE-YBFXNURJSA-N 0 0 396.512 5.050 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C\c3c(F)cccc3Cl)SC2=S)c(C)c1 ZINC000006199192 570739032 /nfs/dbraw/zinc/73/90/32/570739032.db2.gz ZJXOGTDTEKZEDH-CXUHLZMHSA-N 0 0 377.893 5.502 40 10 GKCBRN Cc1ccc(NC2=NC(=O)C(=Cc3ccc(Cl)c(Cl)c3)S2)c(C)c1 ZINC000006366713 570741680 /nfs/dbraw/zinc/74/16/80/570741680.db2.gz YEUWYSHYLPXYMK-CXUHLZMHSA-N 0 0 377.296 5.693 40 10 GKCBRN Cc1ccc(COc2ccc([C@@H]3Nc4c(F)cccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000006922856 570750931 /nfs/dbraw/zinc/75/09/31/570750931.db2.gz YREWEHBRSKUDJZ-SLSDLSHTSA-N 0 0 385.482 6.540 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000006963509 570754067 /nfs/dbraw/zinc/75/40/67/570754067.db2.gz BHRXMIDXOMOTRP-IQUTYRLHSA-N 0 0 385.807 5.291 40 10 GKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3c4ccccc4ccc3[C@H]3C=CC[C@@H]32)ccc1Cl ZINC000007098967 570756298 /nfs/dbraw/zinc/75/62/98/570756298.db2.gz KDEQQNBNIMQUJN-FIKGOQFSSA-N 0 0 376.843 6.228 40 10 GKCBRN Clc1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1Cl ZINC000007096680 570756379 /nfs/dbraw/zinc/75/63/79/570756379.db2.gz JSLFXHPYGHBKLN-IMWIBFENSA-N 0 0 392.329 7.487 40 10 GKCBRN CCN(CC)c1ccc(/C=C/c2cc(-c3ccccc3)c3ccccc3n2)cc1 ZINC000013597370 570761879 /nfs/dbraw/zinc/76/18/79/570761879.db2.gz KJIXCLVBIUJCHU-SAPNQHFASA-N 0 0 378.519 6.918 40 10 GKCBRN Cc1c(Cl)ccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 ZINC000008276507 570766399 /nfs/dbraw/zinc/76/63/99/570766399.db2.gz LONUTKTZJIQJTR-WTOJCKNJSA-N 0 0 375.255 6.037 40 10 GKCBRN Cc1c(Cl)ccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21 ZINC000008276485 570766472 /nfs/dbraw/zinc/76/64/72/570766472.db2.gz MYMALMHOEMGZNE-JMERFSKESA-N 0 0 375.255 6.037 40 10 GKCBRN COc1ccc(C=C2SC(Nc3ccc(Cl)c(Cl)c3)=NC2=O)cc1 ZINC000008473714 570768917 /nfs/dbraw/zinc/76/89/17/570768917.db2.gz NZZLTDLDRPQFRC-OVCLIPMQSA-N 0 0 379.268 5.084 40 10 GKCBRN O=C1N=C(Nc2ccc(Br)cc2)SC1=Cc1ccc(Cl)cc1 ZINC000008418563 570769908 /nfs/dbraw/zinc/76/99/08/570769908.db2.gz DVEBFQHULVGILC-NTEUORMPSA-N 0 0 393.693 5.185 40 10 GKCBRN CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000013639489 570862838 /nfs/dbraw/zinc/86/28/38/570862838.db2.gz MWKZZNNTODHDSB-UWVAXJGDSA-N 0 0 397.316 5.025 40 10 GKCBRN Clc1cccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@H]3C=CC[C@@H]32)c1Cl ZINC000014477008 570892613 /nfs/dbraw/zinc/89/26/13/570892613.db2.gz ZKCQKDCQFBLHFJ-FJHFEUQMSA-N 0 0 385.121 7.127 40 10 GKCBRN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2 ZINC000014469476 570892726 /nfs/dbraw/zinc/89/27/26/570892726.db2.gz VLTBCGWNTNCDRR-DXBVXKBHSA-N 0 0 395.502 6.295 40 10 GKCBRN CSc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000015011863 570901158 /nfs/dbraw/zinc/90/11/58/570901158.db2.gz MVROFRSQWPMWKR-OQLLNIDSSA-N 0 0 377.943 5.468 40 10 GKCBRN CCc1ccc(NC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc1 ZINC000017081688 570915899 /nfs/dbraw/zinc/91/58/99/570915899.db2.gz LWOUGMKZKVCPMG-QJOMJCCJSA-N 0 0 399.469 5.525 40 10 GKCBRN CC(Nc1cc(C)cc(C)c1)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000017077030 570916502 /nfs/dbraw/zinc/91/65/02/570916502.db2.gz SKGPWXGYSMSNEY-RGEXLXHISA-N 0 0 376.485 5.022 40 10 GKCBRN O=C1NC(=S)S/C1=C\c1ccc(-c2ccc(/N=N/c3ccccc3)cc2)o1 ZINC000016451132 570925636 /nfs/dbraw/zinc/92/56/36/570925636.db2.gz WDWKVOUUCKXJGD-JBFWGNJVSA-N 0 0 391.477 5.851 40 10 GKCBRN Brc1ccc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226795621 570954230 /nfs/dbraw/zinc/95/42/30/570954230.db2.gz ITJNTNULTSYLST-DYXWJJEUSA-N 0 0 376.297 6.429 40 10 GKCBRN CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000226797451 570954295 /nfs/dbraw/zinc/95/42/95/570954295.db2.gz MWKZZNNTODHDSB-MBOZVWFJSA-N 0 0 397.316 5.025 40 10 GKCBRN Cc1ccc(Cl)c2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000226746578 570954467 /nfs/dbraw/zinc/95/44/67/570954467.db2.gz AWGHBWDNJMFTRC-QHRIQVFBSA-N 0 0 375.255 6.037 40 10 GKCBRN COc1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1OC ZINC000226877024 570954673 /nfs/dbraw/zinc/95/46/73/570954673.db2.gz LAIHDMBQKQUYPZ-NQCMUKECSA-N 0 0 376.283 5.837 40 10 GKCBRN Clc1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@@H]32)c(Cl)c1 ZINC000226851871 570954781 /nfs/dbraw/zinc/95/47/81/570954781.db2.gz AOZOJSFAJNSARQ-FTLABTOESA-N 0 0 385.121 7.127 40 10 GKCBRN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)cc2)n1 ZINC000004930801 571013418 /nfs/dbraw/zinc/01/34/18/571013418.db2.gz MFMOKLZEKJLBEN-CYYJNZCTSA-N 0 0 395.466 6.157 40 10 GKCBRN FC(F)(F)c1ccccc1[C@@H]1Nc2ccc(-c3ccccc3)cc2[C@@H]2C=CC[C@@H]21 ZINC000007096807 230854928 /nfs/dbraw/zinc/85/49/28/230854928.db2.gz RNZOGGJXPWFZOS-YDIMBITNSA-N 0 0 391.436 7.199 40 10 GKCBRN Cc1ccc(Cl)c2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000020704459 230905838 /nfs/dbraw/zinc/90/58/38/230905838.db2.gz UFSZKAXNJUVHQW-VLXJIEOASA-N 0 0 375.255 6.037 40 10 GKCBRN CC[C@@H](C)Oc1c(/C=C2/SC(=S)N(c3ccccc3)C2=O)cccc1OC ZINC000408901509 529378398 /nfs/dbraw/zinc/37/83/98/529378398.db2.gz GGORQWXMPLIMQK-QFGUUYLXSA-N 0 0 399.537 5.278 40 10 GKCBRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1 ZINC000409343428 529382723 /nfs/dbraw/zinc/38/27/23/529382723.db2.gz GSXRPROZJMAUOD-DQPIFXJKSA-N 0 0 383.538 5.578 40 10 GKCBRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000409343144 529382928 /nfs/dbraw/zinc/38/29/28/529382928.db2.gz CPQOGXORDHQTHM-NFECSFHCSA-N 0 0 399.537 5.278 40 10 GKCBRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000408901874 529383082 /nfs/dbraw/zinc/38/30/82/529383082.db2.gz IESYIXFGTNZALX-NFECSFHCSA-N 0 0 399.537 5.278 40 10 GKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000058928955 230940982 /nfs/dbraw/zinc/94/09/82/230940982.db2.gz PQGCRQAABRUHGH-JTDSTZFVSA-N 0 0 399.288 5.801 40 10 GKCBRN Cc1ccc(C)c([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)c1 ZINC000058851246 230941424 /nfs/dbraw/zinc/94/14/24/230941424.db2.gz FSYVBQOBTVBHLN-QHRIQVFBSA-N 0 0 378.730 7.090 40 10 GKCBRN CC[C@@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2ccccc2OC)C1=O ZINC000409329082 529387114 /nfs/dbraw/zinc/38/71/14/529387114.db2.gz CLMTVBDSTROAKX-NFECSFHCSA-N 0 0 399.537 5.278 40 10 GKCBRN CC[C@@H](C)Oc1ccccc1/C=C1\SC(=S)N(C2CCCCC2)C1=O ZINC000409329678 529387262 /nfs/dbraw/zinc/38/72/62/529387262.db2.gz HLNWFBURVZSDGV-VVTMIQRTSA-N 0 0 375.559 5.398 40 10 GKCBRN Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc31)N2 ZINC000100374219 231007037 /nfs/dbraw/zinc/00/70/37/231007037.db2.gz OHJWBBUQNDVQBZ-FMGHJNRGSA-N 0 0 375.515 7.436 40 10 GKCBRN Cc1cccc(CN2C(=O)S/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)c1 ZINC000106705175 231018189 /nfs/dbraw/zinc/01/81/89/231018189.db2.gz LBMSOUWAJJQCOE-QNGOZBTKSA-N 0 0 392.524 5.222 40 10 GKCBRN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 ZINC000106693868 231018616 /nfs/dbraw/zinc/01/86/16/231018616.db2.gz RXAHACVNXKEIKG-MOSHPQCFSA-N 0 0 380.513 5.466 40 10 GKCBRN O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1c1cccc2ccccc21 ZINC000113837846 231022226 /nfs/dbraw/zinc/02/22/26/231022226.db2.gz JZPOFVCSVTWRJH-WOJGMQOQSA-N 0 0 399.899 6.038 40 10 GKCBRN O=C1/C(=C\c2cccc(Cl)c2)SC(=S)N1c1cccc2ccccc21 ZINC000113831180 231022244 /nfs/dbraw/zinc/02/22/44/231022244.db2.gz CDVQJUDRMCFVID-LDADJPATSA-N 0 0 381.909 5.899 40 10 GKCBRN Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408811579 231117693 /nfs/dbraw/zinc/11/76/93/231117693.db2.gz MPLBNNBAOXQAPZ-CHHVJCJISA-N 0 0 381.284 5.067 40 10 GKCBRN Cc1cccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2cccc(C)c2)c1 ZINC000408839957 231120460 /nfs/dbraw/zinc/12/04/60/231120460.db2.gz BQGXZXCAQAJIRM-RCCKNPSSSA-N 0 0 397.434 5.046 40 10 GKCBRN Cc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408844809 231120670 /nfs/dbraw/zinc/12/06/70/231120670.db2.gz PKYXZLZEFXZPES-KGENOOAVSA-N 0 0 390.845 5.622 40 10 GKCBRN Cc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408840802 231120796 /nfs/dbraw/zinc/12/07/96/231120796.db2.gz GCQMPONVLUXNIV-PXLXIMEGSA-N 0 0 386.882 5.791 40 10 GKCBRN O=C1NC(=S)S/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000408890614 231125031 /nfs/dbraw/zinc/12/50/31/231125031.db2.gz WLURQAPFQBDEHT-AUWJEWJLSA-N 0 0 396.320 5.061 40 10 GKCBRN O=C1/C(=C\c2ccc(N3CCCCC3)cc2)SC(=S)N1c1ccccc1 ZINC000408903214 231126867 /nfs/dbraw/zinc/12/68/67/231126867.db2.gz VUMSAKSWRAJODO-XDJHFCHBSA-N 0 0 380.538 5.083 40 10 GKCBRN Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(c2ccccc2)C1=O ZINC000408900959 231126994 /nfs/dbraw/zinc/12/69/94/231126994.db2.gz AOYOGYGPGNCCRJ-HMMYKYKNSA-N 0 0 378.497 5.226 40 10 GKCBRN Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000408902256 231127028 /nfs/dbraw/zinc/12/70/28/231127028.db2.gz MNOGAQLWTHAXTE-HMMYKYKNSA-N 0 0 394.565 5.391 40 10 GKCBRN O=C1/C(=C\c2cccn2-c2ccc(Cl)cc2)SC(=S)N1c1ccccc1 ZINC000408901524 231127052 /nfs/dbraw/zinc/12/70/52/231127052.db2.gz GGTIWVYKPGAOIZ-QGOAFFKASA-N 0 0 396.924 5.537 40 10 GKCBRN Cc1cc(-c2nc(=O)c3c(C)c(C)sc3[nH]2)c(C)n1-c1ccc2ccccc2c1 ZINC000408735711 231107761 /nfs/dbraw/zinc/10/77/61/231107761.db2.gz WPLAIPDNDKRVFA-UHFFFAOYSA-N 0 0 399.519 6.241 40 10 GKCBRN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(OC)c3)C2=O)cc1 ZINC000408737227 231108362 /nfs/dbraw/zinc/10/83/62/231108362.db2.gz APJSVJGFPDRQAH-HMMYKYKNSA-N 0 0 383.447 5.175 40 10 GKCBRN Clc1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1Cl ZINC000408736650 231108379 /nfs/dbraw/zinc/10/83/79/231108379.db2.gz YSUNIUINBLCMRU-RLFDGXBXSA-N 0 0 385.121 7.127 40 10 GKCBRN Cc1ccc(COc2ccc([C@@H]3Nc4ccc(F)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408736635 231108444 /nfs/dbraw/zinc/10/84/44/231108444.db2.gz YDTWIXKZAYJGKT-UMFSSWHCSA-N 0 0 385.482 6.540 40 10 GKCBRN Cc1cc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)ccc1F ZINC000408737881 231109464 /nfs/dbraw/zinc/10/94/64/231109464.db2.gz IRTJIDXTLVGOKO-XMHGGMMESA-N 0 0 389.857 6.259 40 10 GKCBRN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408738911 231109695 /nfs/dbraw/zinc/10/96/95/231109695.db2.gz PXLNEMUWDYQVGG-CAPFRKAQSA-N 0 0 383.447 5.175 40 10 GKCBRN CCOc1ccccc1N1C(=O)/C(=C/c2ccc(OC)cc2)C=C1c1ccccc1 ZINC000408738709 231109977 /nfs/dbraw/zinc/10/99/77/231109977.db2.gz MXSVTFOAYYWHSM-HEHNFIMWSA-N 0 0 397.474 5.565 40 10 GKCBRN Cc1ccc(C2=C/C(=C\c3ccc(OCc4cccc(F)c4)cc3)C(=O)O2)cc1 ZINC000408744040 231111004 /nfs/dbraw/zinc/11/10/04/231111004.db2.gz VZFXJDPJVNQSIY-FYJGNVAPSA-N 0 0 386.422 5.694 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccc(Cl)cc2)c1 ZINC000408753410 231111832 /nfs/dbraw/zinc/11/18/32/231111832.db2.gz IRNSERPTQHGQEW-KGENOOAVSA-N 0 0 390.845 5.622 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccc(Cl)cc2)cc1 ZINC000408753681 231112047 /nfs/dbraw/zinc/11/20/47/231112047.db2.gz BMDMUTICQOJRCW-KGENOOAVSA-N 0 0 390.845 5.622 40 10 GKCBRN Cc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2cccc(C)c2)cc1 ZINC000408752214 231112103 /nfs/dbraw/zinc/11/21/03/231112103.db2.gz CGGAUHKQGZKYBM-JJIBRWJFSA-N 0 0 395.506 5.204 40 10 GKCBRN O=C1/C(=C\c2ccccc2F)N=C(c2ccc(Cl)cc2)N1c1ccccc1 ZINC000408765141 231112597 /nfs/dbraw/zinc/11/25/97/231112597.db2.gz ZSCUGJAULFTPDY-XSFVSMFZSA-N 0 0 376.818 5.314 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccc(Cl)cc2)c1 ZINC000408767003 231112943 /nfs/dbraw/zinc/11/29/43/231112943.db2.gz USSMVDVSTDFKDS-CPNJWEJPSA-N 0 0 378.884 5.544 40 10 GKCBRN O=C1/C(=C\c2cccs2)N=C(c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000408766160 231113059 /nfs/dbraw/zinc/11/30/59/231113059.db2.gz SEKIQQSBAKZNQO-LDADJPATSA-N 0 0 382.847 5.375 40 10 GKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(Cl)c(Cl)c1 ZINC000408966382 231137675 /nfs/dbraw/zinc/13/76/75/231137675.db2.gz MIYNGYYNOUUICX-UHFFFAOYSA-N 0 0 381.100 6.522 40 10 GKCBRN O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1cccc(Cl)c1 ZINC000408985514 231142287 /nfs/dbraw/zinc/14/22/87/231142287.db2.gz MOHSZNXLIVQNFW-QGOAFFKASA-N 0 0 392.285 6.465 40 10 GKCBRN Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1 ZINC000409035044 231149263 /nfs/dbraw/zinc/14/92/63/231149263.db2.gz OYDMESQYDUNKPN-NDENLUEZSA-N 0 0 397.565 5.431 40 10 GKCBRN COc1ccc(/C=C2\C=C(c3cc(C)ccc3C)OC2=O)cc1Br ZINC000409051022 231151288 /nfs/dbraw/zinc/15/12/88/231151288.db2.gz GWKFKWZXRHPIQT-OQLLNIDSSA-N 0 0 385.257 5.056 40 10 GKCBRN Cc1ccc(C2=C/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)O2)c(C)c1 ZINC000409055952 231151899 /nfs/dbraw/zinc/15/18/99/231151899.db2.gz KFPNOFGAEUIZIL-PXLXIMEGSA-N 0 0 382.459 5.864 40 10 GKCBRN Fc1cc(Br)cc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000409169542 231173616 /nfs/dbraw/zinc/17/36/16/231173616.db2.gz QQYXPTXBCYSFKC-PEBVRCNWSA-N 0 0 378.672 6.068 40 10 GKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@@H]21 ZINC000409154367 231171840 /nfs/dbraw/zinc/17/18/40/231171840.db2.gz NULAAWGHFMHKRG-FMTVUPSXSA-N 0 0 390.361 5.449 40 10 GKCBRN Clc1ccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@@H]3C=CC[C@H]32)c(Cl)c1 ZINC000409152290 231172025 /nfs/dbraw/zinc/17/20/25/231172025.db2.gz IVBXHRCCROXVMV-MFSJNOQSSA-N 0 0 392.329 7.487 40 10 GKCBRN Fc1cc(Br)cc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 ZINC000409151240 231172231 /nfs/dbraw/zinc/17/22/31/231172231.db2.gz ARLJMKVOKHUVSL-GRDNDAEWSA-N 0 0 378.672 6.068 40 10 GKCBRN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc31)N2 ZINC000409157277 231172521 /nfs/dbraw/zinc/17/25/21/231172521.db2.gz UUOPGXNZYVTKLT-PLMTUMEDSA-N 0 0 376.843 6.228 40 10 GKCBRN O=[N+]([O-])c1cccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@@H]32)c1 ZINC000409158839 231172619 /nfs/dbraw/zinc/17/26/19/231172619.db2.gz YCAZISPGLQXGKC-DCGLDWPTSA-N 0 0 394.780 6.094 40 10 GKCBRN Fc1cccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000409158342 231172993 /nfs/dbraw/zinc/17/29/93/231172993.db2.gz XXMBUGAKYUAAAK-VKJFTORMSA-N 0 0 391.227 5.257 40 10 GKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 ZINC000409156342 231173199 /nfs/dbraw/zinc/17/31/99/231173199.db2.gz FHIDMQOXOACHPP-CZIZLABSSA-N 0 0 384.228 6.839 40 10 GKCBRN Fc1cc(Br)cc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21 ZINC000409169541 231173437 /nfs/dbraw/zinc/17/34/37/231173437.db2.gz QQYXPTXBCYSFKC-JKDFXYPNSA-N 0 0 378.672 6.068 40 10 GKCBRN Cc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)c(C)n1-c1cccnc1 ZINC000409107315 231162809 /nfs/dbraw/zinc/16/28/09/231162809.db2.gz QUOPQQVXRRIDCY-NVMNQCDNSA-N 0 0 383.373 5.001 40 10 GKCBRN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000409166178 231173522 /nfs/dbraw/zinc/17/35/22/231173522.db2.gz COILFAZAZNXSQG-AGKHESDQSA-N 0 0 395.673 6.382 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000409165687 231173890 /nfs/dbraw/zinc/17/38/90/231173890.db2.gz AXNJIZCMYMFGLM-VFVRVIDISA-N 0 0 383.335 6.551 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(F)(F)F)N2 ZINC000409165683 231173923 /nfs/dbraw/zinc/17/39/23/231173923.db2.gz AXNJIZCMYMFGLM-SNUQEOBHSA-N 0 0 383.335 6.551 40 10 GKCBRN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2 ZINC000409173506 231174684 /nfs/dbraw/zinc/17/46/84/231174684.db2.gz IZOJIWFHEHYUQI-BWACUDIHSA-N 0 0 394.780 6.094 40 10 GKCBRN CCn1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21 ZINC000409327781 231190263 /nfs/dbraw/zinc/19/02/63/231190263.db2.gz MUQYZHBNXRMFRC-VCHYOVAHSA-N 0 0 398.940 5.720 40 10 GKCBRN CCn1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)c2ccccc21 ZINC000409334138 231190578 /nfs/dbraw/zinc/19/05/78/231190578.db2.gz UJAPQDNGNLJHFR-XDHOZWIPSA-N 0 0 394.521 5.076 40 10 GKCBRN O=C1/C(=C/c2ccc(O)c(Cl)c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000409329252 231190623 /nfs/dbraw/zinc/19/06/23/231190623.db2.gz CUMQZVSWGCKHNG-ZSOIEALJSA-N 0 0 382.293 5.105 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)SC2=S)c1 ZINC000409330883 231190942 /nfs/dbraw/zinc/19/09/42/231190942.db2.gz NJABNVSJMUVPMS-XNTDXEJSSA-N 0 0 379.428 5.420 40 10 GKCBRN COc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c2ccccc12 ZINC000409332123 231191177 /nfs/dbraw/zinc/19/11/77/231191177.db2.gz PNCSWUDHGHPDLX-UNOMPAQXSA-N 0 0 395.480 5.393 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)SC2=S)cc1 ZINC000409338217 231191600 /nfs/dbraw/zinc/19/16/00/231191600.db2.gz FXNNVMBCLBPKOR-ZHZULCJRSA-N 0 0 394.565 5.309 40 10 GKCBRN CSc1cccc(N2C(=O)/C(=C\c3cn(C)c4ccccc34)SC2=S)c1 ZINC000409347568 231193643 /nfs/dbraw/zinc/19/36/43/231193643.db2.gz QGRWTKPKCLPUNM-VCHYOVAHSA-N 0 0 396.562 5.306 40 10 GKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc2n1C ZINC000409346656 231193718 /nfs/dbraw/zinc/19/37/18/231193718.db2.gz NIIVILKIOFCUMP-WOJGMQOQSA-N 0 0 398.940 5.546 40 10 GKCBRN COc1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)c2ccccc12 ZINC000409346577 231193841 /nfs/dbraw/zinc/19/38/41/231193841.db2.gz KRCZPBIQHMYCJX-DEDYPNTBSA-N 0 0 391.517 5.563 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(OCC(C)C)cc3)SC2=S)c1 ZINC000409350656 231194658 /nfs/dbraw/zinc/19/46/58/231194658.db2.gz YSBSRVVCPMRNLS-XDHOZWIPSA-N 0 0 383.538 5.436 40 10 GKCBRN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2)N1CCCCC1 ZINC000409381615 231198576 /nfs/dbraw/zinc/19/85/76/231198576.db2.gz UZIIACNQCVQSNC-TXTKFYIRSA-N 0 0 392.930 5.793 40 10 GKCBRN CCc1cccc2c(/C=C3/SC(=S)N(c4ccc(Cl)cc4)C3=O)c[nH]c21 ZINC000409340163 529549069 /nfs/dbraw/zinc/54/90/69/529549069.db2.gz RLDTZKBSMOKRTI-LICLKQGHSA-N 0 0 398.940 5.790 40 10 GKCBRN CCc1ccccc1NCc1cc(Br)cc(Br)c1O ZINC000409119519 529601473 /nfs/dbraw/zinc/60/14/73/529601473.db2.gz SQHZEKUFQZRSCL-UHFFFAOYSA-N 0 0 385.099 5.092 40 10 GKCBRN Cc1ccccc1/N=N/c1ccc(/N=N/c2c(N)ccc3ccccc32)c(C)c1 ZINC000018156911 210215244 /nfs/dbraw/zinc/21/52/44/210215244.db2.gz RFBJKPNUSZNPEU-ZDXBJJIESA-N 0 0 379.467 7.870 40 10 GKCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)cc1 ZINC000409337978 529783163 /nfs/dbraw/zinc/78/31/63/529783163.db2.gz AQTKHQCULMSZOC-XSFVSMFZSA-N 0 0 390.533 5.312 40 10 GKCBRN O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000017062966 210201765 /nfs/dbraw/zinc/20/17/65/210201765.db2.gz PSRXUNISIVEMMT-VGOFMYFVSA-N 0 0 384.284 5.538 40 10 GKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccccc1Cl ZINC000016268649 210186391 /nfs/dbraw/zinc/18/63/91/210186391.db2.gz VNUPMZIKBZMVQS-ZHZULCJRSA-N 0 0 389.886 5.554 40 10 GKCBRN CCN(CC)c1ccc(CNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 ZINC000225085694 222669591 /nfs/dbraw/zinc/66/95/91/222669591.db2.gz CDALDBFMOOBZIH-IBGZPJMESA-N 0 0 382.548 5.048 40 10 GKCBRN CC(C)Oc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000225665820 222689297 /nfs/dbraw/zinc/68/92/97/222689297.db2.gz XXUOJYGTMWUCPO-GOSISDBHSA-N 0 0 397.588 5.512 40 10 GKCBRN CC(=O)c1cccc(N2C(=O)C(=Cc3cccc4ccccc34)SC2=S)c1 ZINC000005551994 209602379 /nfs/dbraw/zinc/60/23/79/209602379.db2.gz PEKRRZCZGCWYAA-MOSHPQCFSA-N 0 0 389.501 5.448 40 10 GKCBRN COC(=O)c1cccc2c1N[C@@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21 ZINC000004172156 209468333 /nfs/dbraw/zinc/46/83/33/209468333.db2.gz MBPGNCAYMOGHPH-FHSNZYRGSA-N 0 0 384.273 5.062 40 10 GKCBRN Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 ZINC000001212558 209314714 /nfs/dbraw/zinc/31/47/14/209314714.db2.gz XGVGBWLRNCTBIB-KHYOSLBOSA-N 0 0 385.261 5.492 40 10 GKCBRN COc1ccc(N[C@H](c2ccncc2)c2ccc3cccnc3c2O)cc1Cl ZINC000096298892 212074898 /nfs/dbraw/zinc/07/48/98/212074898.db2.gz SULWNGCVTLCHBS-HXUWFJFHSA-N 0 0 391.858 5.199 40 10 GKCBRN Cc1nn(-c2ccccc2)c2nc3c(c(-c4cccnc4)c12)C(=O)c1ccccc1-3 ZINC000044138572 212042396 /nfs/dbraw/zinc/04/23/96/212042396.db2.gz FRLISQSAYSCAJJ-UHFFFAOYSA-N 0 0 388.430 5.002 40 10 GKCBRN Fc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 ZINC000004975208 204098624 /nfs/dbraw/zinc/09/86/24/204098624.db2.gz PATGJBRXGOWEMN-AVCJSFLBSA-N 0 0 388.236 5.143 40 10 GKCBRN O=C1/C(=C\c2ccc(-c3ccccc3)o2)SC(=S)N1Cc1ccccc1 ZINC000005003271 204102537 /nfs/dbraw/zinc/10/25/37/204102537.db2.gz APTDPNQUBMQRRL-CPNJWEJPSA-N 0 0 377.490 5.348 40 10 GKCBRN Cc1ccc(Nc2cc(NC(C)C)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000005798857 204151876 /nfs/dbraw/zinc/15/18/76/204151876.db2.gz HWEOZFYWYPOFRV-UHFFFAOYSA-N 0 0 383.451 5.912 40 10 GKCBRN CCOc1ccc(/C=C2\SC(=S)N(c3cc(C)ccc3C)C2=O)cc1OC ZINC000005371459 204128712 /nfs/dbraw/zinc/12/87/12/204128712.db2.gz HEURKQDBOIPDQO-UNOMPAQXSA-N 0 0 399.537 5.117 40 10 GKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccco4)ccc3o2)cc1 ZINC000006630103 204188367 /nfs/dbraw/zinc/18/83/67/204188367.db2.gz CQYJHZAFVBKQCQ-UHFFFAOYSA-N 0 0 375.428 5.186 40 10 GKCBRN COc1ccc(-c2nc(N)sc2/N=N/c2ccc3nc(C)sc3c2)cc1 ZINC000008416754 204277123 /nfs/dbraw/zinc/27/71/23/204277123.db2.gz LHAMAOQSLPUSRD-GHVJWSGMSA-N 0 0 381.486 5.734 40 10 GKCBRN Cc1ccccc1N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000009188461 204302298 /nfs/dbraw/zinc/30/22/98/204302298.db2.gz YOFPREVHCLDTDJ-GDNBJRDFSA-N 0 0 390.327 5.163 40 10 GKCBRN CCOc1c(/N=N/c2ccccc2Cl)c(-c2ccccc2)nn1C(N)=S ZINC000017139999 204610150 /nfs/dbraw/zinc/61/01/50/204610150.db2.gz DJQKCTZOTSEVMG-QURGRASLSA-N 0 0 385.880 5.109 40 10 GKCBRN O=C1/C(=C/C=C\c2ccccc2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000033446898 211948455 /nfs/dbraw/zinc/94/84/55/211948455.db2.gz SSGFHSUVGYDMBC-HASPRUBHSA-N 0 0 392.332 5.955 40 10 GKCBRN COc1ccc(NC(=S)Nc2ccc(/N=N\c3ccc(C)cc3)cc2)cc1 ZINC000102133633 205629001 /nfs/dbraw/zinc/62/90/01/205629001.db2.gz ZUSRNFLQHIFRLS-IZHYLOQSSA-N 0 0 376.485 6.228 40 10 GKCBRN COc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000216727900 211743842 /nfs/dbraw/zinc/74/38/42/211743842.db2.gz DJDPLIPSCKNQNH-HXUWFJFHSA-N 0 0 388.389 5.040 40 10 GKCBRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000224099902 206013799 /nfs/dbraw/zinc/01/37/99/206013799.db2.gz JXWPGGQWUVMISO-HSZRJFAPSA-N 0 0 396.575 5.304 40 10 GKCBRN CCN(CC)c1ccc(CNC(=O)CCc2c(Cl)cccc2Cl)cc1 ZINC000225365607 206043783 /nfs/dbraw/zinc/04/37/83/206043783.db2.gz NTMPBGPPEIKDOC-UHFFFAOYSA-N 0 0 379.331 5.089 40 10 GKCBRN C[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(N2CCC(C)CC2)cc1 ZINC000225632603 206062172 /nfs/dbraw/zinc/06/21/72/206062172.db2.gz LCBSXXBCLMXYAV-LJQANCHMSA-N 0 0 376.544 5.293 40 10 GKCBRN Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c(C)c1 ZINC000225653710 206063559 /nfs/dbraw/zinc/06/35/59/206063559.db2.gz SPWVZVYSKNGTJX-LJQANCHMSA-N 0 0 381.589 5.587 40 10 GKCBRN CCOc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000225663423 206064795 /nfs/dbraw/zinc/06/47/95/206064795.db2.gz DUSXLQWBUZPKBB-QGZVFWFLSA-N 0 0 383.561 5.123 40 10 GKCBRN CCOc1ccccc1NC(=S)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225668070 206065893 /nfs/dbraw/zinc/06/58/93/206065893.db2.gz BBSGUJNRMOOOEA-QZTJIDSGSA-N 0 0 397.588 5.369 40 10 GKCBRN C[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225667695 206066251 /nfs/dbraw/zinc/06/62/51/206066251.db2.gz JRFCXXNQNAMSKH-HZPDHXFCSA-N 0 0 387.980 5.624 40 10 GKCBRN CN1C(=O)/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)c2ccccc21 ZINC000001441141 206211835 /nfs/dbraw/zinc/21/18/35/206211835.db2.gz SGZLTZMGMUSBAK-QJOMJCCJSA-N 0 0 394.474 5.237 40 10 GKCBRN CCCN1C(=O)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S ZINC000054360640 206211375 /nfs/dbraw/zinc/21/13/75/206211375.db2.gz TXYWODUNENLJCQ-ZROIWOOFSA-N 0 0 398.336 5.865 40 10 GKCBRN O=C1N=C(Nc2ccc(O)cc2)SC1=Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000035646053 206257383 /nfs/dbraw/zinc/25/73/83/206257383.db2.gz HXRZVEUVUMYEIV-WQRHYEAKSA-N 0 0 396.855 5.388 40 10 GKCBRN CCOc1ccc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)cc1OC ZINC000005371450 206609359 /nfs/dbraw/zinc/60/93/59/206609359.db2.gz FUPKPLGVFATTKS-UYRXBGFRSA-N 0 0 399.537 5.062 40 10 GKCBRN CCOc1ccc(C=C2SC(Nc3ccc(Cl)cc3Cl)=NC2=O)cc1 ZINC000005652237 206622471 /nfs/dbraw/zinc/62/24/71/206622471.db2.gz JNAUDOAADPNRNU-SXGWCWSVSA-N 0 0 393.295 5.475 40 10 GKCBRN Cc1ccccc1N=Nc1cc(C)c(NN=C2C(=O)C=Cc3ccccc32)cc1C ZINC000101063281 211394226 /nfs/dbraw/zinc/39/42/26/211394226.db2.gz NRBKWAQSLYBVSG-MBBAZXQCSA-N 0 0 394.478 8.301 40 10 GKCBRN CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000006313496 206648161 /nfs/dbraw/zinc/64/81/61/206648161.db2.gz VWABVFCLMPMHCU-CYVLTUHYSA-N 0 0 381.566 5.428 40 10 GKCBRN CCOc1cc(C)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1C(C)C ZINC000006758631 206671968 /nfs/dbraw/zinc/67/19/68/206671968.db2.gz PTJTXVUTRJJTSD-DEDYPNTBSA-N 0 0 397.565 5.923 40 10 GKCBRN CCN1C(=O)/C(=C/C=C2\Sc3c(ccc4ccccc34)N2CC)SC1=S ZINC000016157687 207072678 /nfs/dbraw/zinc/07/26/78/207072678.db2.gz OJTHRRJSNGZTAR-LSQIQBGYSA-N 0 0 398.578 5.377 40 10 GKCBRN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1c2ccccc2cc2ccccc21 ZINC000016160854 207073438 /nfs/dbraw/zinc/07/34/38/207073438.db2.gz JBMNKLLXVXVMHK-HAHDFKILSA-N 0 0 396.877 6.453 40 10 GKCBRN CSC(=S)n1nc(-c2ccccc2)c(/N=N/c2ccccc2[N+](=O)[O-])c1C ZINC000017129932 207084808 /nfs/dbraw/zinc/08/48/08/207084808.db2.gz MBKGMERGRONBGB-FMQUCBEESA-N 0 0 397.485 5.678 40 10 GKCBRN CN(C)c1ccc(/N=N/c2cc3c4ccccc4ccc3c3ccccc23)cc1 ZINC000017120303 207084883 /nfs/dbraw/zinc/08/48/83/207084883.db2.gz XEWKQQSFKGVKGH-BYYHNAKLSA-N 0 0 375.475 7.628 40 10 GKCBRN CN(C)c1ccc([C@H]2N[C@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716539 207384510 /nfs/dbraw/zinc/38/45/10/207384510.db2.gz FAGJDMXDGJEHOM-FTJBHMTQSA-N 0 0 380.491 5.676 40 10 GKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1O[C@@H](C)c1ccccc1 ZINC000032109504 207393139 /nfs/dbraw/zinc/39/31/39/207393139.db2.gz FAQKGMCUELKFOL-QIQQCEGHSA-N 0 0 399.537 5.056 40 10 GKCBRN COc1cc(N2N=C(C)C(=CNc3cccc4ccccc43)C2=O)ccc1Cl ZINC000408526161 532959794 /nfs/dbraw/zinc/95/97/94/532959794.db2.gz ARQKAGYZSCRQOP-AQTBWJFISA-N 0 0 391.858 5.220 40 10 GKCBRN CCc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1 ZINC000035040532 207482090 /nfs/dbraw/zinc/48/20/90/207482090.db2.gz DWUDEYWGPKOLMQ-CXUHLZMHSA-N 0 0 394.348 5.962 40 10 GKCBRN Cc1ccccc1/N=N\c1ccc(/N=N/c2ccc(N)c3ccccc23)c(C)c1 ZINC000100249243 208373190 /nfs/dbraw/zinc/37/31/90/208373190.db2.gz MGOWCALAJHKIEV-KVZOUHTRSA-N 0 0 379.467 7.870 40 10 GKCBRN CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000020583519 210350866 /nfs/dbraw/zinc/35/08/66/210350866.db2.gz WIZYFWHZKDNCFR-XSFVSMFZSA-N 0 0 397.565 5.888 40 10 GKCBRN O=C1NC(=S)S/C1=C\c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000006222394 208722896 /nfs/dbraw/zinc/72/28/96/208722896.db2.gz QDSFPEHBNQPPBA-NVNXTCNLSA-N 0 0 396.320 5.061 40 10 GKCBRN C[C@@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225669763 208966683 /nfs/dbraw/zinc/96/66/83/208966683.db2.gz QFTVMUATRQFNKH-HUUCEWRRSA-N 0 0 389.515 5.249 40 10 GKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)c(OC)c1 ZINC000005371673 220862619 /nfs/dbraw/zinc/86/26/19/220862619.db2.gz FEBNQCIGTZKMMO-ODLFYWEKSA-N 0 0 399.537 5.233 40 10 GKCBRN COc1ccc(-n2c(C)cc(-c3nc(=O)c4c(C)c(C)sc4[nH]3)c2C)cc1 ZINC000408733880 533209466 /nfs/dbraw/zinc/20/94/66/533209466.db2.gz BWILMWGKYAUIQH-UHFFFAOYSA-N 0 0 379.485 5.097 40 10 GKCBRN C1=C[C@H]2c3cc(C45CC6CC(CC(C6)C4)C5)ccc3N[C@@H](c3ccncc3)[C@H]2C1 ZINC000005799540 220900233 /nfs/dbraw/zinc/90/02/33/220900233.db2.gz FLVHIKUVQRUKBT-RZBYKBFYSA-N 0 0 382.551 6.376 40 10 GKCBRN CC(=C\c1ccccc1)/C=C1/SC(=S)N(c2ccc3ccccc3c2)C1=O ZINC000016661205 221368338 /nfs/dbraw/zinc/36/83/38/221368338.db2.gz BYALEJWJFJWPLW-PDHZICCSSA-N 0 0 387.529 6.192 40 10 GKCBRN CCOc1c(/N=N/c2ccc(Cl)cc2)c(-c2ccccc2)nn1C(N)=S ZINC000017140000 221379855 /nfs/dbraw/zinc/37/98/55/221379855.db2.gz QSSOZTGGGRNMRM-QURGRASLSA-N 0 0 385.880 5.109 40 10 GKCBRN CCCCCN(CCCCC)c1ccc(/C=C\c2ccnc3ccccc23)cc1 ZINC000017161654 221381348 /nfs/dbraw/zinc/38/13/48/221381348.db2.gz ITAZBTTYYXCYLS-SSZFMOIBSA-N 0 0 386.583 7.592 40 10 GKCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000408893934 533266839 /nfs/dbraw/zinc/26/68/39/533266839.db2.gz OPAMZDBQWVQGKE-WPGBELRESA-N 0 0 389.495 5.244 40 10 GKCBRN COc1ccc(Br)cc1[C@@H]1Nc2c(Cl)cccc2[C@@H]2C=CC[C@@H]21 ZINC000408736633 533267660 /nfs/dbraw/zinc/26/76/60/533267660.db2.gz YBIVJOZKFFSIFH-FHSNZYRGSA-N 0 0 390.708 5.938 40 10 GKCBRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(C)C ZINC000409344346 533473998 /nfs/dbraw/zinc/47/39/98/533473998.db2.gz IVTUMKBGBACSII-UNOMPAQXSA-N 0 0 399.537 5.136 40 10 GKCBRN COc1cc(C)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1C(C)C ZINC000408853505 533564030 /nfs/dbraw/zinc/56/40/30/533564030.db2.gz OVMXVACZDYANIO-XDHOZWIPSA-N 0 0 383.538 5.533 40 10 GKCBRN C[C@@H]1CC(C)(C)N(C)c2ccc(C=C3SC(Nc4ccccc4)=NC3=O)cc21 ZINC000208199154 136202765 /nfs/dbraw/zinc/20/27/65/136202765.db2.gz JMLPHNAHDARKLX-CTFRJJSNSA-N 0 0 391.540 5.491 40 10 GKCBRN C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc21 ZINC000208219309 136202811 /nfs/dbraw/zinc/20/28/11/136202811.db2.gz NOGPQGDXVWRLNL-CTFRJJSNSA-N 0 0 392.524 5.650 40 10 GKCBRN C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(N2CCC(C)CC2)cc1 ZINC000217855262 136203469 /nfs/dbraw/zinc/20/34/69/136203469.db2.gz JRGCAWHZHWWKSD-OAHLLOKOSA-N 0 0 391.342 5.721 40 10 GKCBRN Cc1ccc(SCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000217977109 136203504 /nfs/dbraw/zinc/20/35/04/136203504.db2.gz PGWLVGVIGRYHGW-LJQANCHMSA-N 0 0 382.573 5.201 40 10 GKCBRN C[C@@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218058281 136203505 /nfs/dbraw/zinc/20/35/05/136203505.db2.gz LJVBRHHOCDQXSN-RTBURBONSA-N 0 0 382.573 5.281 40 10 GKCBRN C[C@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218069534 136203506 /nfs/dbraw/zinc/20/35/06/136203506.db2.gz ZTIISNCBBOCNID-PMACEKPBSA-N 0 0 396.600 5.422 40 10 GKCBRN Cc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218139432 136203518 /nfs/dbraw/zinc/20/35/18/136203518.db2.gz FAVKLNKBLDLJGX-PMACEKPBSA-N 0 0 396.600 5.589 40 10 GKCBRN C[C@@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218069295 136203526 /nfs/dbraw/zinc/20/35/26/136203526.db2.gz ZTIISNCBBOCNID-WOJBJXKFSA-N 0 0 396.600 5.422 40 10 GKCBRN C[C@@H](Sc1ccccc1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000218058337 136203531 /nfs/dbraw/zinc/20/35/31/136203531.db2.gz LJVBRHHOCDQXSN-RBUKOAKNSA-N 0 0 382.573 5.281 40 10 GKCBRN C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000217959820 136203568 /nfs/dbraw/zinc/20/35/68/136203568.db2.gz KJHWRZATLNFBEV-VRQAPCGNSA-N 0 0 382.935 5.467 40 10 GKCBRN Cc1ccc(CSCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218022881 136203591 /nfs/dbraw/zinc/20/35/91/136203591.db2.gz KGOCIRUZPCFRLS-FQEVSTJZSA-N 0 0 396.600 5.342 40 10 GKCBRN C[C@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218058736 136203612 /nfs/dbraw/zinc/20/36/12/136203612.db2.gz PMPVZDADXJLBQV-QYZOEREBSA-N 0 0 382.573 5.281 40 10 GKCBRN Cc1ccc(OCCCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218731308 136203764 /nfs/dbraw/zinc/20/37/64/136203764.db2.gz IKXXSVRXNLJJOQ-OAQYLSRUSA-N 0 0 394.559 5.268 40 10 GKCBRN C[C@H](NC(=O)CCSCc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218998552 136203879 /nfs/dbraw/zinc/20/38/79/136203879.db2.gz RBNWDWCBUHYZNZ-UXHICEINSA-N 0 0 396.600 5.424 40 10 GKCBRN CC(C)c1ccc(OCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218962437 136203880 /nfs/dbraw/zinc/20/38/80/136203880.db2.gz NXQRAHOAOGEVJI-HXUWFJFHSA-N 0 0 394.559 5.303 40 10 GKCBRN CC(C)Oc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218984927 136203881 /nfs/dbraw/zinc/20/38/81/136203881.db2.gz IMLALZVKMNOQBV-IBGZPJMESA-N 0 0 380.532 5.201 40 10 GKCBRN CCCOc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218982600 136203893 /nfs/dbraw/zinc/20/38/93/136203893.db2.gz OYIYDBFZQTUJDE-LJQANCHMSA-N 0 0 380.532 5.203 40 10 GKCBRN C[C@@H](NC(=O)CCSCc1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218998301 136203928 /nfs/dbraw/zinc/20/39/28/136203928.db2.gz LJCBCXJVVIVKRG-HXUWFJFHSA-N 0 0 396.600 5.424 40 10 GKCBRN CCCOc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218982669 136203967 /nfs/dbraw/zinc/20/39/67/136203967.db2.gz XNKRZQDKWCRKTB-RTBURBONSA-N 0 0 380.532 5.203 40 10 GKCBRN Cc1ccc(C)c(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000219071447 136204054 /nfs/dbraw/zinc/20/40/54/136204054.db2.gz XRCYKFYDZIUYCA-LEWJYISDSA-N 0 0 394.559 5.184 40 10 GKCBRN CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219317392 136204089 /nfs/dbraw/zinc/20/40/89/136204089.db2.gz KUJORZKNIFNSQZ-HYBUGGRVSA-N 0 0 394.559 5.266 40 10 GKCBRN CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219313609 136204109 /nfs/dbraw/zinc/20/41/09/136204109.db2.gz WNHQXWYJHJSHRQ-QMHWCDLVSA-N 0 0 394.559 5.266 40 10 GKCBRN CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219313473 136204121 /nfs/dbraw/zinc/20/41/21/136204121.db2.gz IRWQDLNJUUGNOV-NZQKXSOJSA-N 0 0 394.559 5.266 40 10 GKCBRN Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C ZINC000219517620 136204235 /nfs/dbraw/zinc/20/42/35/136204235.db2.gz HVLHFYUXLCWRFS-LEWJYISDSA-N 0 0 394.559 5.184 40 10 GKCBRN Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000219533393 136204255 /nfs/dbraw/zinc/20/42/55/136204255.db2.gz NNHBKWJWIYVHIO-GIVPXCGWSA-N 0 0 394.559 5.184 40 10 GKCBRN CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219580416 136204274 /nfs/dbraw/zinc/20/42/74/136204274.db2.gz SQIVWZMUVXQKAN-KGVIQGDOSA-N 0 0 398.522 5.097 40 10 GKCBRN CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219580309 136204277 /nfs/dbraw/zinc/20/42/77/136204277.db2.gz MVUQGMXUSBDQGI-GCJKJVERSA-N 0 0 398.522 5.097 40 10 GKCBRN CC(C)Sc1ccccc1C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219656681 136204379 /nfs/dbraw/zinc/20/43/79/136204379.db2.gz JXZQBQPBKZVQJB-IBGZPJMESA-N 0 0 396.600 5.914 40 10 GKCBRN CC(C)Oc1ccccc1C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219744318 136204463 /nfs/dbraw/zinc/20/44/63/136204463.db2.gz DJRCUYDGYJRNRO-LJQANCHMSA-N 0 0 380.532 5.201 40 10 GKCBRN C[C@H](NC(=O)CCc1ccccc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000220018783 136204564 /nfs/dbraw/zinc/20/45/64/136204564.db2.gz ZPFJREOHGYGNTC-MSOLQXFVSA-N 0 0 384.951 5.386 40 10 GKCBRN C[C@@H](NC(=O)CCc1ccccc1Cl)c1ccc(N2CCC(C)CC2)cc1 ZINC000220018532 136204626 /nfs/dbraw/zinc/20/46/26/136204626.db2.gz MQAMIKLUCBTDAL-GOSISDBHSA-N 0 0 384.951 5.386 40 10 GKCBRN Cc1cccc(CSCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000222744996 136205015 /nfs/dbraw/zinc/20/50/15/136205015.db2.gz UEAGBTIYUSQNPU-FQEVSTJZSA-N 0 0 396.600 5.342 40 10 GKCBRN Cc1cccc(CSCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000222745061 136205076 /nfs/dbraw/zinc/20/50/76/136205076.db2.gz UEAGBTIYUSQNPU-HXUWFJFHSA-N 0 0 396.600 5.342 40 10 GKCBRN COc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C ZINC000223416825 136205747 /nfs/dbraw/zinc/20/57/47/136205747.db2.gz NFRRIDKBWNOCSU-HXUWFJFHSA-N 0 0 394.559 5.050 40 10 GKCBRN C[C@@H]1CCCN(c2ccc(CNC(=O)C3(c4ccccc4)CCCC3)cc2)C1 ZINC000223792505 136205997 /nfs/dbraw/zinc/20/59/97/136205997.db2.gz CDVGNXLOONUPNY-HXUWFJFHSA-N 0 0 376.544 5.051 40 10 GKCBRN Cc1ccc(C)c(NCc2cc(Br)cc(Br)c2O)c1 ZINC000409121561 533686328 /nfs/dbraw/zinc/68/63/28/533686328.db2.gz YLKKVGMJBQWFOV-UHFFFAOYSA-N 0 0 385.099 5.146 40 10 GKCBRN Cc1c(/C=C2\SC(=S)N(c3ccccc3C)C2=O)c2ccccc2n1C ZINC000409351146 533701022 /nfs/dbraw/zinc/70/10/22/533701022.db2.gz ZRNYZECYPWAWFA-UNOMPAQXSA-N 0 0 378.522 5.201 40 10 GKCBRN Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21 ZINC000409169937 533751477 /nfs/dbraw/zinc/75/14/77/533751477.db2.gz TUYHKCMCTRLTDF-JQYIIUTOSA-N 0 0 383.560 7.114 40 10 GKCBRN COc1cccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)c1OC ZINC000409168740 533759478 /nfs/dbraw/zinc/75/94/78/533759478.db2.gz NHNGPFCYPLZOCH-FHSNZYRGSA-N 0 0 376.283 5.837 40 10 GKCBRN COc1cccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)c1OC ZINC000409175136 533759721 /nfs/dbraw/zinc/75/97/21/533759721.db2.gz QLIOZKCBPHTSFG-BIENJYKASA-N 0 0 386.289 5.293 40 10 GKCBRN COc1cccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@@H]32)c1 ZINC000409159178 533760165 /nfs/dbraw/zinc/76/01/65/533760165.db2.gz QGDYQRUFKHVBSY-GLJUWKHASA-N 0 0 379.809 6.194 40 10 GKCBRN COc1cccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@H]32)c1OC ZINC000409161695 533760805 /nfs/dbraw/zinc/76/08/05/533760805.db2.gz YSAHFUIAGHKQFJ-SEDUGSJDSA-N 0 0 376.283 5.837 40 10 GKCBRN COc1ccc(Cl)c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 ZINC000409151876 533831028 /nfs/dbraw/zinc/83/10/28/533831028.db2.gz CMTIPYMWJMEPDE-SOZUMNATSA-N 0 0 380.702 6.482 40 10 GKCBRN COc1ccc(Cl)c2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21 ZINC000409166283 533831168 /nfs/dbraw/zinc/83/11/68/533831168.db2.gz CQJCUGJIXDNSFT-SOZUMNATSA-N 0 0 379.809 6.194 40 10 GKCBRN COc1ccccc1/C=C1/N=C(c2ccccc2)N(c2ccc(Cl)cc2)C1=O ZINC000408765234 533952817 /nfs/dbraw/zinc/95/28/17/533952817.db2.gz USXCRSFTROAOQA-HMMYKYKNSA-N 0 0 388.854 5.183 40 10 GKCBRN COc1ccc(N2C(=O)/C(=C\c3sccc3C)SC2=S)cc1Cl ZINC000409345592 533993422 /nfs/dbraw/zinc/99/34/22/533993422.db2.gz JMDTYQZTUWPCHG-RIYZIHGNSA-N 0 0 381.931 5.124 40 10 GKCBRN COc1ccccc1C1=N/C(=C/c2ccc(C)cc2)C(=O)N1c1cccc(C)c1 ZINC000408844625 534002242 /nfs/dbraw/zinc/00/22/42/534002242.db2.gz OYKXNXIULSLBGM-CJLVFECKSA-N 0 0 382.463 5.147 40 10 GKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000409171166 534065088 /nfs/dbraw/zinc/06/50/88/534065088.db2.gz YJLGMDIJSHENQU-JZKQVHKSSA-N 0 0 388.294 5.915 40 10 GKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000409161606 534065589 /nfs/dbraw/zinc/06/55/89/534065589.db2.gz WMYPBDMGCRPFAI-JZKQVHKSSA-N 0 0 398.846 5.170 40 10 GKCBRN COC(=O)c1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000409151682 534242628 /nfs/dbraw/zinc/24/26/28/534242628.db2.gz IMZDLBZZYFAOCC-RKVPGOIHSA-N 0 0 384.273 5.062 40 10 GKCBRN COC(=O)c1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736371 534243755 /nfs/dbraw/zinc/24/37/55/534243755.db2.gz QZEYVWRCYBPMMB-SLSDLSHTSA-N 0 0 397.474 6.092 40 10 GKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000409173531 534250306 /nfs/dbraw/zinc/25/03/06/534250306.db2.gz JJOUFSCZWRJLHU-SXGZJXTBSA-N 0 0 388.294 5.915 40 10 GKCBRN Cc1ccc2c(c1C)N[C@@H](c1cc3c(cc1Br)OCO3)[C@H]1CC=C[C@@H]21 ZINC000408737163 534458454 /nfs/dbraw/zinc/45/84/54/534458454.db2.gz MJXOKFNMLIKTHX-HKZYLEAXSA-N 0 0 398.300 5.621 40 10 GKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@H]21 ZINC000409166406 534631545 /nfs/dbraw/zinc/63/15/45/534631545.db2.gz DPCNUKCUJXGREI-VNBZBWLYSA-N 0 0 385.121 7.127 40 10 GKCBRN O=C1c2cc3ccccc3cc2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1 ZINC000408822277 534848174 /nfs/dbraw/zinc/84/81/74/534848174.db2.gz KRGFHHOINXDQSC-OCEACIFDSA-N 0 0 377.403 6.056 40 10 GKCBRN O=[N+]([O-])c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000409174228 534883154 /nfs/dbraw/zinc/88/31/54/534883154.db2.gz MFPQQNVJYWKPFJ-CPUCHLNUSA-N 0 0 389.224 5.323 40 10 GKCBRN CC(C)(C)NC(=O)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000408734977 526319747 /nfs/dbraw/zinc/31/97/47/526319747.db2.gz IADIDKQIFQJJBM-UHFFFAOYSA-N 0 0 394.478 6.009 40 10 GKCBRN CC(=C\c1ccccc1)/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O ZINC000409330954 526386497 /nfs/dbraw/zinc/38/64/97/526386497.db2.gz NQPWCGPTNBYCLC-OIXOFKMYSA-N 0 0 380.538 5.105 40 10 GKCBRN CC(C)(C)c1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409161480 526791866 /nfs/dbraw/zinc/79/18/66/526791866.db2.gz XUIJCNFSTZOQET-DXBVXKBHSA-N 0 0 379.547 7.478 40 10 GKCBRN CC(C)(C)c1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000409173901 526791904 /nfs/dbraw/zinc/79/19/04/526791904.db2.gz LAIHWMMMALWTCY-OPYAIIAOSA-N 0 0 382.345 6.573 40 10 GKCBRN CC(=O)c1cccc(N2C(=O)C(=Cc3ccccc3)C=C2c2ccc(Cl)cc2)c1 ZINC000408985037 527358917 /nfs/dbraw/zinc/35/89/17/527358917.db2.gz KQIMTYAHURSPKS-KGENOOAVSA-N 0 0 399.877 6.014 40 10 GKCBRN CC(Nc1ccc(Oc2ccccc2)cc1)=C1C(C)=NN(c2ccccc2)C1=O ZINC000112121398 527540637 /nfs/dbraw/zinc/54/06/37/527540637.db2.gz YIIASAIVSQONBP-QJOMJCCJSA-N 0 0 383.451 5.588 40 10 GKCBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(Cl)cc1C ZINC000112124544 528064893 /nfs/dbraw/zinc/06/48/93/528064893.db2.gz CKYDKDUEAKSYIQ-QNGOZBTKSA-N 0 0 397.906 5.546 40 10 GKCBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cccc2ccccc21 ZINC000103919065 528065812 /nfs/dbraw/zinc/06/58/12/528065812.db2.gz WHIUHAUNGXFHLI-ULJHMMPZSA-N 0 0 399.494 5.737 40 10 GKCBRN CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccccc1-c1ccccc1 ZINC000112124417 528066572 /nfs/dbraw/zinc/06/65/72/528066572.db2.gz NHJHOGKDMUDNMQ-PLRJNAJWSA-N 0 0 395.506 6.242 40 10 GKCBRN CC(C)c1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@H]32)cc1 ZINC000409151250 528136752 /nfs/dbraw/zinc/13/67/52/528136752.db2.gz FUELTWBSDPRZRS-QINHECLXSA-N 0 0 391.864 7.309 40 10 GKCBRN CCCCCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC ZINC000408539410 528146481 /nfs/dbraw/zinc/14/64/81/528146481.db2.gz HFNXBDCNFHDGSZ-PGMHBOJBSA-N 0 0 392.499 5.460 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2cccc(F)c2)c1 ZINC000409087991 528150232 /nfs/dbraw/zinc/15/02/32/528150232.db2.gz DIGSMOGALVUGCS-HZHRSRAPSA-N 0 0 386.426 5.211 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2ccc(C)cc2)cc1 ZINC000409220913 528150736 /nfs/dbraw/zinc/15/07/36/528150736.db2.gz HQPLDMLMUNHZPH-XQNSMLJCSA-N 0 0 384.504 5.952 40 10 GKCBRN CCCN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)c2ccccc21 ZINC000409119416 528163417 /nfs/dbraw/zinc/16/34/17/528163417.db2.gz SKPRGCIQSWCSAS-ULJHMMPZSA-N 0 0 392.502 5.987 40 10 GKCBRN CCOc1c(Cl)cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1Cl ZINC000409041546 528167332 /nfs/dbraw/zinc/16/73/32/528167332.db2.gz ANXMXRVNXQRBNE-QPEQYQDCSA-N 0 0 390.357 5.249 40 10 GKCBRN CCCN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C1=O ZINC000409242555 528174669 /nfs/dbraw/zinc/17/46/69/528174669.db2.gz ONPUCNRATQIYIA-KQWNVCNZSA-N 0 0 399.494 5.064 40 10 GKCBRN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCC(C)C)cc1)N2 ZINC000408736444 528245230 /nfs/dbraw/zinc/24/52/30/528245230.db2.gz SZADRZSRLOMBRS-DPLHUUCSSA-N 0 0 391.511 5.725 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 ZINC000408736159 528258771 /nfs/dbraw/zinc/25/87/71/528258771.db2.gz IUWHKMMDIMJCJP-GJYPPUQNSA-N 0 0 398.300 5.452 40 10 GKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408985887 528370863 /nfs/dbraw/zinc/37/08/63/528370863.db2.gz NUZHKJZAQMHAAT-HEHNFIMWSA-N 0 0 397.474 5.565 40 10 GKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccco3)C2=O)cc1 ZINC000408985282 528370876 /nfs/dbraw/zinc/37/08/76/528370876.db2.gz LGWHJFKNFYOGEJ-NBVRZTHBSA-N 0 0 391.854 5.803 40 10 GKCBRN CCOc1ccc(C2=C/C(=C/c3cc(C)n(-c4ccccc4C)c3C)C(=O)O2)cc1 ZINC000408753739 528412706 /nfs/dbraw/zinc/41/27/06/528412706.db2.gz CBRHMRYITFNPCE-JCMHNJIXSA-N 0 0 399.490 5.783 40 10 GKCBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C=C1SC(=S)NC1=O ZINC000409346053 528412947 /nfs/dbraw/zinc/41/29/47/528412947.db2.gz MVOLSUFKROOGNS-OCKHKDLRSA-N 0 0 399.581 5.042 40 10 GKCBRN CCOc1ccc(C2=C/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)O2)cc1 ZINC000408754130 528413118 /nfs/dbraw/zinc/41/31/18/528413118.db2.gz DPZXHBXRPXGYJT-JCMHNJIXSA-N 0 0 399.490 5.783 40 10 GKCBRN CCCOc1c(Cl)cc(Cl)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C ZINC000409044663 528615145 /nfs/dbraw/zinc/61/51/45/528615145.db2.gz WNVAOEIBZMAWAM-GZTJUZNOSA-N 0 0 389.282 5.588 40 10 GKCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(CC)cc1 ZINC000409056822 528616348 /nfs/dbraw/zinc/61/63/48/528616348.db2.gz IZRMQYVPLXHQNH-ZHZULCJRSA-N 0 0 395.886 5.170 40 10 GKCBRN CCOc1ccc2ccccc2c1/C=C1\C=C(c2ccc(Cl)cc2)OC1=O ZINC000408743374 528624032 /nfs/dbraw/zinc/62/40/32/528624032.db2.gz SKYCGVKBMZCSAC-GHRIWEEISA-N 0 0 376.839 5.873 40 10 GKCBRN CCOc1cccc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)c1 ZINC000409334242 528627687 /nfs/dbraw/zinc/62/76/87/528627687.db2.gz WIDBXTVOPJMPSA-XSFVSMFZSA-N 0 0 391.517 5.644 40 10 GKCBRN CCOc1cccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1 ZINC000409342746 528627856 /nfs/dbraw/zinc/62/78/56/528627856.db2.gz DZJPOSZNAWEFAK-SXGWCWSVSA-N 0 0 393.892 5.284 40 10 GKCBRN CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000409345157 528640957 /nfs/dbraw/zinc/64/09/57/528640957.db2.gz KBCLUCHMCQTQMD-CPNJWEJPSA-N 0 0 399.537 5.198 40 10 GKCBRN CCCCOc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1 ZINC000409338707 528657649 /nfs/dbraw/zinc/65/76/49/528657649.db2.gz OSJRTJGWMWIZQW-QGOAFFKASA-N 0 0 387.501 5.410 40 10 GKCBRN CCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000409342128 528657990 /nfs/dbraw/zinc/65/79/90/528657990.db2.gz CDAJGOXIRRURJE-RGEXLXHISA-N 0 0 399.537 5.280 40 10 GKCBRN CC(C)Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21 ZINC000409135711 528698197 /nfs/dbraw/zinc/69/81/97/528698197.db2.gz QGTYKEIWSUHJML-NDENLUEZSA-N 0 0 392.549 5.703 40 10 GKCBRN CCCn1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)c2ccccc21 ZINC000409344434 528828100 /nfs/dbraw/zinc/82/81/00/528828100.db2.gz JIIDPOMQKKXLEX-UNOMPAQXSA-N 0 0 395.553 5.007 40 10 GKCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)c2ccccc21 ZINC000409194880 528942999 /nfs/dbraw/zinc/94/29/99/528942999.db2.gz DURWEVSZPGEGKR-FYJGNVAPSA-N 0 0 390.914 5.963 40 10 GKCBRN CCN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c2ccccc21 ZINC000409197238 528943646 /nfs/dbraw/zinc/94/36/46/528943646.db2.gz ZOIONNZIMSKADS-HZHRSRAPSA-N 0 0 396.465 5.736 40 10 GKCBRN CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O ZINC000409067656 528953627 /nfs/dbraw/zinc/95/36/27/528953627.db2.gz QMFQUBZILHNKHJ-DEDYPNTBSA-N 0 0 376.481 5.304 40 10 GKCBRN CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O ZINC000409071822 528953798 /nfs/dbraw/zinc/95/37/98/528953798.db2.gz QAWQTTYXBOFXSV-PXNMLYILSA-N 0 0 395.311 5.457 40 10 GKCBRN CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC)C3=O)c2C)cc1 ZINC000409071620 529017364 /nfs/dbraw/zinc/01/73/64/529017364.db2.gz KQJBAKOQUYLRFF-XSFVSMFZSA-N 0 0 382.529 5.493 40 10 GKCBRN CC[C@H](C)Oc1c(/C=C2/SC(=S)N(c3ccccc3)C2=O)cccc1OC ZINC000408901523 529186652 /nfs/dbraw/zinc/18/66/52/529186652.db2.gz GGORQWXMPLIMQK-RAOBZKRQSA-N 0 0 399.537 5.278 40 10 GKCBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000409332429 529191866 /nfs/dbraw/zinc/19/18/66/529191866.db2.gz RLHVHPAGMNQMHC-SJPXOZHESA-N 0 0 383.538 5.265 40 10 GKCBRN CC[C@H](C)Oc1ccc2ccccc2c1/C=C1/C(=O)N(c2ccccc2)N=C1C ZINC000408905048 529196175 /nfs/dbraw/zinc/19/61/75/529196175.db2.gz SLSSMSYEOKDCCC-JMMZKRSASA-N 0 0 384.479 5.823 40 10 GKCBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1=O ZINC000409021261 529349852 /nfs/dbraw/zinc/34/98/52/529349852.db2.gz ZQPYPIDYGHZINA-RVZJCZPVSA-N 0 0 382.529 5.546 40 10 GKCBRN CCCN1C(=O)S/C(=C\c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)C1=O ZINC000208532263 535346735 /nfs/dbraw/zinc/34/67/35/535346735.db2.gz FKFWZUYJJIWKOE-UNOMPAQXSA-N 0 0 384.545 5.463 40 10 GKCBRN CCCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)C1=O ZINC000223518761 535346837 /nfs/dbraw/zinc/34/68/37/535346837.db2.gz CVTYLAYAWYPPIK-NDENLUEZSA-N 0 0 398.572 5.852 40 10 GKCBRN CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)C1=O ZINC000223613689 535435974 /nfs/dbraw/zinc/43/59/74/535435974.db2.gz UDQGYIDECIJEFW-VUQQOUJSSA-N 0 0 386.561 5.552 40 10 GKCBRN CCN1C(=O)S/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)C1=O ZINC000208256530 535436005 /nfs/dbraw/zinc/43/60/05/535436005.db2.gz CZCUIUZRKBWQRC-FSKGUYTJSA-N 0 0 378.925 5.118 40 10 GKCBRN CCN1c2cc(C)c(/C=C3\SC(=O)N(C(C)C)C3=O)cc2C(C)=CC1(C)C ZINC000208531894 535784932 /nfs/dbraw/zinc/78/49/32/535784932.db2.gz WXEHEDSOWRXTER-ODLFYWEKSA-N 0 0 384.545 5.462 40 10 GKCBRN CCc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219295042 535971477 /nfs/dbraw/zinc/97/14/77/535971477.db2.gz MMSCLYVHIRJMJF-AQNXPRMDSA-N 0 0 394.559 5.130 40 10 GKCBRN CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219595573 536045897 /nfs/dbraw/zinc/04/58/97/536045897.db2.gz CAWAOBYYIJPRTC-NMMYMHLASA-N 0 0 394.559 5.266 40 10 GKCBRN CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219327580 536046969 /nfs/dbraw/zinc/04/69/69/536046969.db2.gz RTIHKHIOMMFQCB-STSQHVNTSA-N 0 0 398.522 5.097 40 10 GKCBRN CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219327473 536047067 /nfs/dbraw/zinc/04/70/67/536047067.db2.gz KWUXKEXPMUJHGU-MBSDFSHPSA-N 0 0 398.522 5.097 40 10 GKCBRN Cc1ccc(/N=N\c2ccc(C)cc2NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000100138644 570267140 /nfs/dbraw/zinc/26/71/40/570267140.db2.gz BOBGGKSPSXLPAF-QPLCGJKRSA-N 0 0 398.293 7.278 40 10 GKCBRN CCc1ccc(NC=C2SC(=S)N(Cc3ccccc3Cl)C2=O)cc1 ZINC000100167624 570268315 /nfs/dbraw/zinc/26/83/15/570268315.db2.gz UAKPWDNCFHSGGB-GZTJUZNOSA-N 0 0 388.945 5.216 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000020705807 570280830 /nfs/dbraw/zinc/28/08/30/570280830.db2.gz JNMLXRALTBBBMP-TYILLQQXSA-N 0 0 385.807 5.291 40 10 GKCBRN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2)N1CCCC1 ZINC000020700014 570280834 /nfs/dbraw/zinc/28/08/34/570280834.db2.gz RXIQXWWHWGMECL-WOIUINJBSA-N 0 0 378.903 5.403 40 10 GKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000020680573 570280924 /nfs/dbraw/zinc/28/09/24/570280924.db2.gz WZSGZIHCRBPGCB-QWQRMKEZSA-N 0 0 395.127 6.582 40 10 GKCBRN Cc1ccc(Cl)c2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000020704456 570280964 /nfs/dbraw/zinc/28/09/64/570280964.db2.gz UFSZKAXNJUVHQW-QHRIQVFBSA-N 0 0 375.255 6.037 40 10 GKCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 ZINC000002317893 570282480 /nfs/dbraw/zinc/28/24/80/570282480.db2.gz AKBGWCHTHGBVRW-MURKYSCBSA-N 0 0 396.581 5.495 40 10 GKCBRN CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1ccccc1Cl ZINC000002676712 570294863 /nfs/dbraw/zinc/29/48/63/570294863.db2.gz GMSCJEOWAWNKKA-UHFFFAOYSA-O 0 0 384.739 6.426 40 10 GKCBRN c1ccc(Sc2ccccc2/N=N\c2ccccc2Sc2ccccc2)cc1 ZINC000104074310 570297509 /nfs/dbraw/zinc/29/75/09/570297509.db2.gz VQQBRBJYXGGNIN-QPLCGJKRSA-N 0 0 398.556 8.404 40 10 GKCBRN CCOc1c(/N=N\c2ccc(Br)cc2)c(C)nn1C(=S)SC ZINC000104241106 570299890 /nfs/dbraw/zinc/29/98/90/570299890.db2.gz KCMKPDPVNPQJRK-MSUUIHNZSA-N 0 0 399.339 5.264 40 10 GKCBRN O=C(c1ccccc1)C(/N=N\c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000104270232 570300219 /nfs/dbraw/zinc/30/02/19/570300219.db2.gz XTEVBRHDJWFMFJ-DQSJHHFOSA-N 0 0 376.459 6.597 40 10 GKCBRN Cc1cc(O)c(C(C)C)cc1NC(=O)Nc1ccc(/N=N\c2ccccc2)cc1 ZINC000104359420 570301975 /nfs/dbraw/zinc/30/19/75/570301975.db2.gz BCGKTNCVFPVWCG-RQZHXJHFSA-N 0 0 388.471 6.883 40 10 GKCBRN Cc1ccccc1N=Nc1ccc(NN=C2C=CC(=O)c3ccccc32)c(C)c1 ZINC000104389467 570302498 /nfs/dbraw/zinc/30/24/98/570302498.db2.gz NRXZKGUYCKGZKF-FNBANUKLSA-N 0 0 380.451 7.993 40 10 GKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000144206061 570303032 /nfs/dbraw/zinc/30/30/32/570303032.db2.gz NRDUHSHVNAICTC-MOSHPQCFSA-N 0 0 392.455 5.474 40 10 GKCBRN COc1ccc(N2CCO[C@@H]2c2ccn(-c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000216727112 570304819 /nfs/dbraw/zinc/30/48/19/570304819.db2.gz NRDGOBXTGROARA-HXUWFJFHSA-N 0 0 388.389 5.040 40 10 GKCBRN COc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3C(F)(F)F)c2)cc1 ZINC000216727836 570305172 /nfs/dbraw/zinc/30/51/72/570305172.db2.gz FBRIPAZDKJJZOF-FQEVSTJZSA-N 0 0 388.389 5.040 40 10 GKCBRN CCN1CCCc2cc([C@@H]3c4ccccc4C=CN3C(=O)c3ccccc3)ccc21 ZINC000022114859 570306058 /nfs/dbraw/zinc/30/60/58/570306058.db2.gz OIGZLRZVZOSSFE-AREMUKBSSA-N 0 0 394.518 5.675 40 10 GKCBRN Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072216852 570317824 /nfs/dbraw/zinc/31/78/24/570317824.db2.gz HIIOYQYEZCEDDO-QFIPXVFZSA-N 0 0 389.499 5.353 40 10 GKCBRN Cc1cc(C(F)(F)F)n2nc(N)c(/N=N/c3cccc(C(F)(F)F)c3)c2n1 ZINC000003848769 570351854 /nfs/dbraw/zinc/35/18/54/570351854.db2.gz WFGXKGNRCXGBGD-OCOZRVBESA-N 0 0 388.275 5.073 40 10 GKCBRN Cc1cc(C(F)(F)F)n2nc(N)c(/N=N/c3cc(Cl)ccc3Cl)c2n1 ZINC000003848977 570352162 /nfs/dbraw/zinc/35/21/62/570352162.db2.gz TVGRMHXRJCVTEN-GHVJWSGMSA-N 0 0 389.168 5.361 40 10 GKCBRN Cc1cc(C(F)(F)F)n2nc(N)c(/N=N/c3ccc(Cl)cc3Cl)c2n1 ZINC000003849012 570352244 /nfs/dbraw/zinc/35/22/44/570352244.db2.gz HYFKMXCXHJVTRM-GHVJWSGMSA-N 0 0 389.168 5.361 40 10 GKCBRN O=[N+]([O-])c1ccc([C@H]2Nc3ccc(OC(F)(F)F)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004081966 570357036 /nfs/dbraw/zinc/35/70/36/570357036.db2.gz FQCUSEMHJCASRV-RLFYNMQTSA-N 0 0 376.334 5.320 40 10 GKCBRN O=C1/C(=C\c2ccco2)N=C(c2ccccc2Cl)N1c1ccc(Cl)cc1 ZINC000408755676 570393495 /nfs/dbraw/zinc/39/34/95/570393495.db2.gz LLMMVBDTGVHGLE-LDADJPATSA-N 0 0 383.234 5.421 40 10 GKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1cccc(Cl)c1 ZINC000408757465 570394288 /nfs/dbraw/zinc/39/42/88/570394288.db2.gz XEVSJMLYTONWLD-LPYMAVHISA-N 0 0 389.886 5.554 40 10 GKCBRN O=C1/C(=C\c2ccccc2)N=C(c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000408759098 570395062 /nfs/dbraw/zinc/39/50/62/570395062.db2.gz XTWFWPOCQIEICB-XSFVSMFZSA-N 0 0 376.818 5.314 40 10 GKCBRN O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2)N1c1ccc(O)cc1 ZINC000408760769 570396639 /nfs/dbraw/zinc/39/66/39/570396639.db2.gz FTBLZAVQQZVQHO-JJIBRWJFSA-N 0 0 390.442 5.380 40 10 GKCBRN COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccccc3)C2=O)cc1 ZINC000408759286 570397754 /nfs/dbraw/zinc/39/77/54/570397754.db2.gz BJKPEQNGSKRABX-RCCKNPSSSA-N 0 0 388.854 5.183 40 10 GKCBRN Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 ZINC000004854858 570412766 /nfs/dbraw/zinc/41/27/66/570412766.db2.gz XGVGBWLRNCTBIB-DOXZYTNZSA-N 0 0 385.261 5.492 40 10 GKCBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(C)n3-c3ccccc3)N21 ZINC000222718343 570422190 /nfs/dbraw/zinc/42/21/90/570422190.db2.gz PPUPRMQSGHTKLJ-BULFRSBZSA-N 0 0 388.540 5.160 40 10 GKCBRN Oc1c([C@H](Nc2ccccn2)c2ccccc2F)cc(Cl)c2cccnc12 ZINC000005065550 570428098 /nfs/dbraw/zinc/42/80/98/570428098.db2.gz CWNKFDCPRPBCRF-LJQANCHMSA-N 0 0 379.822 5.329 40 10 GKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)cc1 ZINC000005360016 570435136 /nfs/dbraw/zinc/43/51/36/570435136.db2.gz FVQACQNGUNSROS-NVNXTCNLSA-N 0 0 396.320 5.408 40 10 GKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)cc1 ZINC000005372154 570435697 /nfs/dbraw/zinc/43/56/97/570435697.db2.gz TVPYGJVXHKKFQV-HKWRFOASSA-N 0 0 396.581 5.501 40 10 GKCBRN CC(=O)c1cccc(N2C(=O)C(=CC(Cl)=Cc3ccccc3)SC2=S)c1 ZINC000005372230 570435723 /nfs/dbraw/zinc/43/57/23/570435723.db2.gz VXAJGZDVGGRVGL-KXDNKEIFSA-N 0 0 399.924 5.418 40 10 GKCBRN CSc1ccc(SC)c2c1C(=O)c1c(SC)ccc(SC)c1C2=O ZINC000005438678 570439232 /nfs/dbraw/zinc/43/92/32/570439232.db2.gz BXFMVWFEIICIDN-UHFFFAOYSA-N 0 0 392.592 5.350 40 10 GKCBRN CC(=O)c1ccc(N2C(=O)C(=Cc3cccc4ccccc34)SC2=S)cc1 ZINC000005551992 570445324 /nfs/dbraw/zinc/44/53/24/570445324.db2.gz NUTPHXVRYPELIR-MOSHPQCFSA-N 0 0 389.501 5.448 40 10 GKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)cc1 ZINC000005551858 570445332 /nfs/dbraw/zinc/44/53/32/570445332.db2.gz HSPFRMOIMYMJOZ-QNGOZBTKSA-N 0 0 395.593 6.558 40 10 GKCBRN CCc1ccc(N2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)cc1 ZINC000005551986 570445383 /nfs/dbraw/zinc/44/53/83/570445383.db2.gz SXXJQOIVGYLELZ-ZHZULCJRSA-N 0 0 375.518 5.808 40 10 GKCBRN CCc1ccccc1N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S ZINC000005551834 570445535 /nfs/dbraw/zinc/44/55/35/570445535.db2.gz UCYCVUIIWPDLJC-UKTHLTGXSA-N 0 0 394.315 5.010 40 10 GKCBRN CC[NH+](CC)CC1=CC(=NNc2cccc3ccccc32)c2ccccc2C1=O ZINC000005572996 570446862 /nfs/dbraw/zinc/44/68/62/570446862.db2.gz IHCYJXMELQMPTG-CYYJNZCTSA-N 0 0 383.495 6.956 40 10 GKCBRN COc1ccc(C=C2SC(Nc3ccc(Cl)cc3Cl)=NC2=O)cc1 ZINC000005661378 570450213 /nfs/dbraw/zinc/45/02/13/570450213.db2.gz SOLLAWXSUQRYGV-NVNXTCNLSA-N 0 0 379.268 5.084 40 10 GKCBRN CSc1ccc(C[C@@H]2SC(=S)N(CCC3CCCCC3)C2=O)cc1 ZINC000008169623 570468839 /nfs/dbraw/zinc/46/88/39/570468839.db2.gz LOYRDLPRKUBOPJ-KRWDZBQOSA-N 0 0 379.616 5.150 40 10 GKCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccc(Cl)cc2)N1c1ccc(F)cc1 ZINC000408760636 570470208 /nfs/dbraw/zinc/47/02/08/570470208.db2.gz CBJOYRFBVBOGMO-DEDYPNTBSA-N 0 0 394.808 5.453 40 10 GKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 ZINC000408761979 570471277 /nfs/dbraw/zinc/47/12/77/570471277.db2.gz ILRGYFRFOHOQLX-CYVLTUHYSA-N 0 0 387.866 5.820 40 10 GKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)SC2=S)cc1 ZINC000006313498 570477016 /nfs/dbraw/zinc/47/70/16/570477016.db2.gz KZBBGZAEFREOOG-AQTBWJFISA-N 0 0 383.538 5.399 40 10 GKCBRN Fc1cccc2c1N[C@@H](c1cc3c(cc1Br)OCO3)[C@@H]1CC=C[C@H]21 ZINC000000871836 570502541 /nfs/dbraw/zinc/50/25/41/570502541.db2.gz UMFNBCQCUZSNDE-CSJMPQKXSA-N 0 0 388.236 5.143 40 10 GKCBRN COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(C(=O)[O-])cc3)c2c1 ZINC000031912138 570507237 /nfs/dbraw/zinc/50/72/37/570507237.db2.gz JUEVEQFGSFHEFN-UHFFFAOYSA-N 0 0 378.815 5.492 40 10 GKCBRN CCCC1=NN2C(=NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C2=N)S1 ZINC000032109390 570508764 /nfs/dbraw/zinc/50/87/64/570508764.db2.gz MLYLVZHSGJLACW-VRENQZFPSA-N 0 0 398.875 5.019 40 10 GKCBRN Oc1c([C@@H](Nc2cccnc2)c2ccc(Cl)cc2)cc(Cl)c2cccnc12 ZINC000008036182 570521429 /nfs/dbraw/zinc/52/14/29/570521429.db2.gz BFHXZASMXDDGDK-IBGZPJMESA-N 0 0 396.277 5.844 40 10 GKCBRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1Cl ZINC000224701844 570525626 /nfs/dbraw/zinc/52/56/26/570525626.db2.gz RZTPANHQHNKDDW-MRXNPFEDSA-N 0 0 386.923 5.220 40 10 GKCBRN CCOC(=O)c1cccc(N[C@@H](c2ccccc2)c2ccc3cccnc3c2O)c1 ZINC000027644717 570542640 /nfs/dbraw/zinc/54/26/40/570542640.db2.gz NJTIOYBMAQHOPM-QFIPXVFZSA-N 0 0 398.462 5.319 40 10 GKCBRN Cc1ccc2cc(C3=C/C(=C/c4ccc(N5CCCCC5)o4)C(=O)O3)ccc2c1 ZINC000408756431 570545818 /nfs/dbraw/zinc/54/58/18/570545818.db2.gz RFIWYUVUEAZUSP-QNGOZBTKSA-N 0 0 385.463 5.713 40 10 GKCBRN CCCCN1C(=O)/C(=C\c2ccccc2OCc2ccc(C)cc2)SC1=S ZINC000009188394 570551229 /nfs/dbraw/zinc/55/12/29/570551229.db2.gz UFKCMWVWDXVWMM-XSFVSMFZSA-N 0 0 397.565 5.575 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)c(C)c1 ZINC000009188603 570551264 /nfs/dbraw/zinc/55/12/64/570551264.db2.gz HTAFXNJGNOKEJL-SXGWCWSVSA-N 0 0 394.348 6.016 40 10 GKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)SC2=S)cc1 ZINC000009188800 570551286 /nfs/dbraw/zinc/55/12/86/570551286.db2.gz GESJVWQKBCASMT-YBEGLDIGSA-N 0 0 394.348 5.962 40 10 GKCBRN CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000009188508 570551294 /nfs/dbraw/zinc/55/12/94/570551294.db2.gz GGZQJDLTUOLTQG-WJDWOHSUSA-N 0 0 375.902 5.145 40 10 GKCBRN Clc1ccc(COc2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000036080589 570554116 /nfs/dbraw/zinc/55/41/16/570554116.db2.gz BJTDJAREICAMAU-RSEQLOHWSA-N 0 0 387.910 6.746 40 10 GKCBRN C[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225309202 570563868 /nfs/dbraw/zinc/56/38/68/570563868.db2.gz BHRDQHFFNSUIER-GOSISDBHSA-N 0 0 384.951 5.386 40 10 GKCBRN CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000225654372 570598607 /nfs/dbraw/zinc/59/86/07/570598607.db2.gz VSPLAPIWOSTQQO-SFHVURJKSA-N 0 0 397.588 5.369 40 10 GKCBRN Cc1cc(C)cc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000225653813 570598658 /nfs/dbraw/zinc/59/86/58/570598658.db2.gz MQCZWJJQBGLERC-IBGZPJMESA-N 0 0 381.589 5.587 40 10 GKCBRN CCOc1ccccc1NC(=S)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225668043 570600672 /nfs/dbraw/zinc/60/06/72/570600672.db2.gz BBSGUJNRMOOOEA-MSOLQXFVSA-N 0 0 397.588 5.369 40 10 GKCBRN O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1c(Cl)cccc1Cl ZINC000004406968 570628863 /nfs/dbraw/zinc/62/88/63/570628863.db2.gz HEJFYBQKEKIICV-UHFFFAOYSA-N 0 0 386.691 5.254 40 10 GKCBRN Cc1cc(CNC(=O)c2ccc3nc(Cl)sc3c2)c(C)n1-c1ccccc1 ZINC000225985930 570638127 /nfs/dbraw/zinc/63/81/27/570638127.db2.gz FWINAAMQNBKDMI-UHFFFAOYSA-N 0 0 395.915 5.287 40 10 GKCBRN O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1ccc2c(c1)OCO2 ZINC000033342783 570644840 /nfs/dbraw/zinc/64/48/40/570644840.db2.gz FTTZQZWBMMFVCS-LDADJPATSA-N 0 0 384.387 5.189 40 10 GKCBRN CCCCC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1c(O)ccc2ccccc21 ZINC000004957202 570646959 /nfs/dbraw/zinc/64/69/59/570646959.db2.gz VQAPDDGPUMMEIJ-VWLOTQADSA-N 0 0 375.512 6.065 40 10 GKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21 ZINC000033778654 570647047 /nfs/dbraw/zinc/64/70/47/570647047.db2.gz JUZGYFWKGIPEEI-JCGVRSQUSA-N 0 0 391.254 5.737 40 10 GKCBRN O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@@H]2C=CC[C@@H]21 ZINC000058851343 570648214 /nfs/dbraw/zinc/64/82/14/570648214.db2.gz BJNRZAAFHZBTAO-GPHJXTMHSA-N 0 0 395.673 6.382 40 10 GKCBRN Clc1cccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)c1 ZINC000058851269 570648405 /nfs/dbraw/zinc/64/84/05/570648405.db2.gz LBXVUFITYVRVKG-PEBVRCNWSA-N 0 0 385.121 7.127 40 10 GKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000058928979 570649240 /nfs/dbraw/zinc/64/92/40/570649240.db2.gz JLNSVSBKKYUGHT-TYILLQQXSA-N 0 0 388.389 6.057 40 10 GKCBRN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc31)N2 ZINC000058929012 570649347 /nfs/dbraw/zinc/64/93/47/570649347.db2.gz IHMMOVGWEHAGLG-LDBYXDLTSA-N 0 0 376.843 6.228 40 10 GKCBRN COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(C)C)cc2[C@H]2C=CC[C@H]21 ZINC000004959586 570653443 /nfs/dbraw/zinc/65/34/43/570653443.db2.gz NUPLFLFMYLNIBI-GSHUGGBRSA-N 0 0 398.344 6.408 40 10 GKCBRN COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(C)C)cc2[C@H]2C=CC[C@@H]21 ZINC000004959584 570653453 /nfs/dbraw/zinc/65/34/53/570653453.db2.gz NUPLFLFMYLNIBI-PNLZDCPESA-N 0 0 398.344 6.408 40 10 GKCBRN Cc1ccc(C2=C/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)O2)cc1 ZINC000059425881 570656469 /nfs/dbraw/zinc/65/64/69/570656469.db2.gz PBIFMGMJUNAPQB-GDNBJRDFSA-N 0 0 397.257 6.543 40 10 GKCBRN COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000012420260 570657581 /nfs/dbraw/zinc/65/75/81/570657581.db2.gz FOKJENVOHXCUEK-NVNXTCNLSA-N 0 0 396.320 5.408 40 10 GKCBRN Cc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3cc(Cl)ccc3O)c1-2 ZINC000059501094 570659594 /nfs/dbraw/zinc/65/95/94/570659594.db2.gz RUSBPBGNKQVSIL-UZYVYHOESA-N 0 0 388.945 6.037 40 10 GKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000059959235 570660524 /nfs/dbraw/zinc/66/05/24/570660524.db2.gz QVMMHONLQCGWGU-MOSHPQCFSA-N 0 0 395.886 5.341 40 10 GKCBRN Cc1cccc(C(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1C ZINC000005787011 570664903 /nfs/dbraw/zinc/66/49/03/570664903.db2.gz MIBMEVKOEWDJAH-OCEACIFDSA-N 0 0 387.439 5.514 40 10 GKCBRN CC[C@@H](C)N1C(=O)SC(=CC2=CC(=NNc3ccccc3)C=CC2=O)C1=O ZINC000409010079 570693145 /nfs/dbraw/zinc/69/31/45/570693145.db2.gz DFJPCFTZVTXLTO-ZPXAYRQISA-N 0 0 381.457 5.642 40 10 GKCBRN O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1c1cccc(Cl)c1 ZINC000005604973 570734821 /nfs/dbraw/zinc/73/48/21/570734821.db2.gz VYBOLHDCFGAMSA-WOJGMQOQSA-N 0 0 381.909 5.899 40 10 GKCBRN O=C1N=C(Nc2ccc3ccccc3c2)SC1=Cc1cccc2ccccc12 ZINC000008436715 570741398 /nfs/dbraw/zinc/74/13/98/570741398.db2.gz NQCUQYSINPYJJU-JCMHNJIXSA-N 0 0 380.472 6.075 40 10 GKCBRN CN(C)c1ccc(C=C2SC(Nc3ccc(Cl)c(Cl)c3)=NC2=O)cc1 ZINC000006871464 570752258 /nfs/dbraw/zinc/75/22/58/570752258.db2.gz SCRYBPZQUVHSHH-CXUHLZMHSA-N 0 0 392.311 5.142 40 10 GKCBRN Oc1c([C@@H](Nc2cccc3cccnc32)c2ccccc2)ccc2cccnc21 ZINC000013283040 570752374 /nfs/dbraw/zinc/75/23/74/570752374.db2.gz RBSPENDGIMQZGB-QFIPXVFZSA-N 0 0 377.447 5.690 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 ZINC000006963475 570754084 /nfs/dbraw/zinc/75/40/84/570754084.db2.gz BHRXMIDXOMOTRP-CKFHNAJUSA-N 0 0 385.807 5.291 40 10 GKCBRN Cc1ccc(Cl)c2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 ZINC000008371281 570768457 /nfs/dbraw/zinc/76/84/57/570768457.db2.gz UFSZKAXNJUVHQW-WTOJCKNJSA-N 0 0 375.255 6.037 40 10 GKCBRN COc1cc(OCc2ccccc2)ccc1-c1cccc(-n2c(C)ccc2C)n1 ZINC000021983026 570776315 /nfs/dbraw/zinc/77/63/15/570776315.db2.gz XHTQIXYZTFXJQS-UHFFFAOYSA-N 0 0 384.479 5.744 40 10 GKCBRN O=C(NCc1ccc(N2CCCCC2)cc1)/C(=C/c1ccccc1)c1ccccc1 ZINC000010113098 570782343 /nfs/dbraw/zinc/78/23/43/570782343.db2.gz XKSYLGIYWMANGO-LHLOQNFPSA-N 0 0 396.534 5.534 40 10 GKCBRN COc1cc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000013389336 570839939 /nfs/dbraw/zinc/83/99/39/570839939.db2.gz DGKGIADMRQEHSN-PWHSHALESA-N 0 0 387.479 5.692 40 10 GKCBRN CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc31)N2 ZINC000014549065 570892214 /nfs/dbraw/zinc/89/22/14/570892214.db2.gz SSZISUQITOKBBZ-FMGHJNRGSA-N 0 0 391.514 7.218 40 10 GKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@H]32)ccc1Cl ZINC000014470854 570892637 /nfs/dbraw/zinc/89/26/37/570892637.db2.gz HEKIMLAXVIHDQZ-RVPKQNPDSA-N 0 0 395.673 6.382 40 10 GKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@H]32)ccc1Cl ZINC000014470661 570892757 /nfs/dbraw/zinc/89/27/57/570892757.db2.gz BEPUDCHYQJGFAV-IUUKEHGRSA-N 0 0 395.673 6.382 40 10 GKCBRN Cc1ccc(C(=O)Nc2cc3c4c(c2)[C@H]2C=CC[C@H]2CN4C[C@@H]2CC=C[C@@H]32)cc1 ZINC000015922464 570909017 /nfs/dbraw/zinc/90/90/17/570909017.db2.gz RLPNGAYKCGQFGU-BLKABHOGSA-N 0 0 382.507 5.400 40 10 GKCBRN CC(Nc1cc(C)cc(C)c1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000017081693 570915951 /nfs/dbraw/zinc/91/59/51/570915951.db2.gz NSSUTYDQSHRGMU-NKFKGCMQSA-N 0 0 399.469 5.580 40 10 GKCBRN CC(Nc1ccc(C)c(C)c1)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000017077023 570916411 /nfs/dbraw/zinc/91/64/11/570916411.db2.gz SCWJFFSUXOBSOB-RGEXLXHISA-N 0 0 376.485 5.022 40 10 GKCBRN CC(Nc1cc(C)cc(C)c1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000017077990 570917180 /nfs/dbraw/zinc/91/71/80/570917180.db2.gz LLTHGQAQYPQMBK-NMWGTECJSA-N 0 0 381.479 5.440 40 10 GKCBRN CC(Nc1ccc(Cl)cc1C)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000017081198 570918859 /nfs/dbraw/zinc/91/88/59/570918859.db2.gz ROQVSXSRYQGELE-PDGQHHTCSA-N 0 0 396.903 5.367 40 10 GKCBRN COc1ccc(N(c2ccc(/N=N/c3ccc(C)cc3)s2)c2ccccc2)cc1 ZINC000016291648 570921077 /nfs/dbraw/zinc/92/10/77/570921077.db2.gz ORTXSCDPFNDRTP-OCEACIFDSA-N 0 0 399.519 7.950 40 10 GKCBRN O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@@H]32)c1 ZINC000226736792 570954368 /nfs/dbraw/zinc/95/43/68/570954368.db2.gz SOBXZPAYMNTNLZ-FTLABTOESA-N 0 0 395.673 6.382 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000226646682 570954392 /nfs/dbraw/zinc/95/43/92/570954392.db2.gz GUBQCAVHIQCXKZ-JTDSTZFVSA-N 0 0 385.261 5.492 40 10 GKCBRN O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)c1 ZINC000226743768 570954395 /nfs/dbraw/zinc/95/43/95/570954395.db2.gz AZGDAIOXTLSGQK-VGTOOOLASA-N 0 0 395.673 6.382 40 10 GKCBRN COc1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc31)[C@H]1CC=C[C@@H]21 ZINC000226908047 570954632 /nfs/dbraw/zinc/95/46/32/570954632.db2.gz GIHXPWMPZXAWLY-JEYPMZLKSA-N 0 0 377.487 6.828 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 ZINC000226843284 570954730 /nfs/dbraw/zinc/95/47/30/570954730.db2.gz LIUDWWNIJIMIOU-TYILLQQXSA-N 0 0 375.255 6.037 40 10 GKCBRN COc1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1OC ZINC000226860010 570954854 /nfs/dbraw/zinc/95/48/54/570954854.db2.gz IDSDQFZJYCCQRS-SWYRRKHMSA-N 0 0 399.490 6.323 40 10 GKCBRN Fc1ccccc1[C@H]1[C@@H]2CC=C[C@@H]2c2c3ccccc3cc3c2N1C[C@H]1CC=C[C@H]31 ZINC000004182496 570967478 /nfs/dbraw/zinc/96/74/78/570967478.db2.gz FVAFZNALYZHRMV-WNMOTQRHSA-N 0 0 393.505 6.873 40 10 GKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@@H]21 ZINC000096006225 571096193 /nfs/dbraw/zinc/09/61/93/571096193.db2.gz VGNLYIWBQOMYOO-VFVRVIDISA-N 0 0 391.254 5.737 40 10 GKCBRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1 ZINC000409328424 529382938 /nfs/dbraw/zinc/38/29/38/529382938.db2.gz VADFEFQGNBEKAO-DQPIFXJKSA-N 0 0 383.538 5.578 40 10 GKCBRN CC[C@@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O ZINC000409331872 529387523 /nfs/dbraw/zinc/38/75/23/529387523.db2.gz PBGXBWWFIDNLNG-NCUBORBFSA-N 0 0 387.501 5.409 40 10 GKCBRN CC[C@@H](C)Oc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000409343364 529387154 /nfs/dbraw/zinc/38/71/54/529387154.db2.gz GOJQWJYXENDZCC-JPVKTXQWSA-N 0 0 383.538 5.265 40 10 GKCBRN Cc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408545438 231055739 /nfs/dbraw/zinc/05/57/39/231055739.db2.gz YSVVIILYQBCMLX-QPJJXVBHSA-N 0 0 392.242 5.776 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(C)C)SC2=S)cc1C ZINC000408599022 231073933 /nfs/dbraw/zinc/07/39/33/231073933.db2.gz CKNOBWFAVVIQGX-NDENLUEZSA-N 0 0 397.565 5.744 40 10 GKCBRN Cc1ccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2ccc(C)cc2)cc1 ZINC000408839845 231119809 /nfs/dbraw/zinc/11/98/09/231119809.db2.gz AVXXUKNNXJVCCF-RCCKNPSSSA-N 0 0 397.434 5.046 40 10 GKCBRN Cc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408843416 231120810 /nfs/dbraw/zinc/12/08/10/231120810.db2.gz MMCUSZKAADJMPY-KGENOOAVSA-N 0 0 388.854 5.189 40 10 GKCBRN Cc1ccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2cccc(C)c2)cc1 ZINC000408842266 231120881 /nfs/dbraw/zinc/12/08/81/231120881.db2.gz JUOHHGSMBIEBKP-RCCKNPSSSA-N 0 0 397.434 5.046 40 10 GKCBRN Cc1cc(C=C2SC(=S)NC2=O)cc(C)c1OCc1ccc(Cl)cc1 ZINC000408848433 231121706 /nfs/dbraw/zinc/12/17/06/231121706.db2.gz YYBSLNLAEOQRGY-CXUHLZMHSA-N 0 0 389.929 5.025 40 10 GKCBRN O=C1/C(=C\c2ccc(Sc3ccccc3)o2)SC(=S)N1c1ccccc1 ZINC000408903081 231127166 /nfs/dbraw/zinc/12/71/66/231127166.db2.gz UKRCYYONTZUWGV-GHRIWEEISA-N 0 0 395.530 5.837 40 10 GKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccccc1C(C)C ZINC000408904971 231128394 /nfs/dbraw/zinc/12/83/94/231128394.db2.gz RIBQKFWXNLAKGA-LFVJCYFKSA-N 0 0 397.522 6.024 40 10 GKCBRN Clc1ccc(Cl)c2c1N[C@@H](c1ccc3c4c(cccc41)CC3)[C@H]1CC=C[C@@H]21 ZINC000408736316 231108391 /nfs/dbraw/zinc/10/83/91/231108391.db2.gz PTGHLTCGFMOJKF-SAHWJRBASA-N 0 0 392.329 7.072 40 10 GKCBRN Clc1ccc(Cl)c2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 ZINC000408736619 231108452 /nfs/dbraw/zinc/10/84/52/231108452.db2.gz XRMQFQVSVKKSPA-IGCXYCKISA-N 0 0 395.127 6.582 40 10 GKCBRN FC(F)(F)c1cccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@@H]3C=CC[C@@H]32)c1 ZINC000408736183 231108550 /nfs/dbraw/zinc/10/85/50/231108550.db2.gz KBOPQFSDLIZCJL-IGCXYCKISA-N 0 0 384.228 6.839 40 10 GKCBRN FC(F)(F)c1cccc2c1N[C@@H](c1ccc3c4c(cccc41)CC3)[C@H]1CC=C[C@@H]21 ZINC000408737091 231108556 /nfs/dbraw/zinc/10/85/56/231108556.db2.gz IEDLKWNCIKJHNS-WLENULPWSA-N 0 0 391.436 6.784 40 10 GKCBRN C1=C[C@H]2c3ccc4ccccc4c3N[C@@H](c3c4ccccc4cc4ccccc43)[C@H]2C1 ZINC000408736058 231108651 /nfs/dbraw/zinc/10/86/51/231108651.db2.gz CKVSPNCWDKJVOK-DIIXFEDBSA-N 0 0 397.521 7.973 40 10 GKCBRN O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@@H]32)c1 ZINC000408737081 231108794 /nfs/dbraw/zinc/10/87/94/231108794.db2.gz HWTOYMAHQKRFAU-BWACUDIHSA-N 0 0 394.780 6.094 40 10 GKCBRN COc1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000408736490 231108910 /nfs/dbraw/zinc/10/89/10/231108910.db2.gz WNQPXQNNLRAXOT-SOZUMNATSA-N 0 0 391.254 5.737 40 10 GKCBRN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3OC)C2=O)cc1 ZINC000408739310 231109834 /nfs/dbraw/zinc/10/98/34/231109834.db2.gz VJZOHZNVEJWUCT-CAPFRKAQSA-N 0 0 383.447 5.175 40 10 GKCBRN Cc1ccc(C2=C/C(=C\c3ccc(OCc4cccc(C)c4)cc3)C(=O)O2)cc1 ZINC000408741819 231111010 /nfs/dbraw/zinc/11/10/10/231111010.db2.gz LIGQTRPZHNRUBT-HZHRSRAPSA-N 0 0 382.459 5.864 40 10 GKCBRN Cc1cccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2cccc(C)c2)c1 ZINC000408753415 231111516 /nfs/dbraw/zinc/11/15/16/231111516.db2.gz MQFYRVJFXICTLF-JJIBRWJFSA-N 0 0 395.506 5.204 40 10 GKCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2F)N1c1ccc(Cl)cc1 ZINC000408753219 231111952 /nfs/dbraw/zinc/11/19/52/231111952.db2.gz FKPMGGGZSBSGII-DEDYPNTBSA-N 0 0 394.808 5.453 40 10 GKCBRN O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2Cl)N1c1ccccc1 ZINC000408753888 231112011 /nfs/dbraw/zinc/11/20/11/231112011.db2.gz KWBOONDAJSEUAN-XSFVSMFZSA-N 0 0 376.818 5.314 40 10 GKCBRN Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000408764256 231112356 /nfs/dbraw/zinc/11/23/56/231112356.db2.gz LVBDBZBXRQPFJS-KGENOOAVSA-N 0 0 390.845 5.622 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccccc2Cl)cc1 ZINC000408764786 231112445 /nfs/dbraw/zinc/11/24/45/231112445.db2.gz NEZYNMFOGPACFI-KGENOOAVSA-N 0 0 390.845 5.622 40 10 GKCBRN O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccc(F)cc2)N1c1ccc(O)cc1 ZINC000408763477 231112819 /nfs/dbraw/zinc/11/28/19/231112819.db2.gz SHIXPMKIFONKNF-DEDYPNTBSA-N 0 0 392.817 5.019 40 10 GKCBRN Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2ccc(O)cc2)cc1 ZINC000408763441 231113108 /nfs/dbraw/zinc/11/31/08/231113108.db2.gz DZCWBGUHZDPYRF-KGENOOAVSA-N 0 0 388.854 5.189 40 10 GKCBRN Cc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408767447 231113157 /nfs/dbraw/zinc/11/31/57/231113157.db2.gz XTBNEYYRVKFHSL-PXLXIMEGSA-N 0 0 397.434 5.046 40 10 GKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2C2CCCCC2)cc1 ZINC000408783489 231114126 /nfs/dbraw/zinc/11/41/26/231114126.db2.gz PQSQGIPQFFWBNC-HMMYKYKNSA-N 0 0 388.467 5.503 40 10 GKCBRN O=C1/C(=C\c2cccn2-c2ccc(F)cc2)SC(=S)N1c1ccccc1 ZINC000408968007 231138484 /nfs/dbraw/zinc/13/84/84/231138484.db2.gz YMIRFROSUPYETI-QGOAFFKASA-N 0 0 380.469 5.022 40 10 GKCBRN O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccccc1Cl ZINC000408986672 231142152 /nfs/dbraw/zinc/14/21/52/231142152.db2.gz SHSUNHFLRKUJDK-NBVRZTHBSA-N 0 0 392.285 6.465 40 10 GKCBRN O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1cccnc1 ZINC000408984978 231142260 /nfs/dbraw/zinc/14/22/60/231142260.db2.gz JVJRMKRCUVXVBM-GZTJUZNOSA-N 0 0 393.273 5.860 40 10 GKCBRN O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccco1 ZINC000408987837 231142602 /nfs/dbraw/zinc/14/26/02/231142602.db2.gz YWTVXSKAQPYVPO-LFIBNONCSA-N 0 0 382.246 6.058 40 10 GKCBRN Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409024118 231148511 /nfs/dbraw/zinc/14/85/11/231148511.db2.gz WKIZRMQWCNIMAK-FYJGNVAPSA-N 0 0 390.508 5.692 40 10 GKCBRN Cc1ccc(C2=C/C(=C\c3c4ccccc4cc4ccccc34)C(=O)O2)cc1C ZINC000409051210 231151256 /nfs/dbraw/zinc/15/12/56/231151256.db2.gz AHOMCTGKIKUIOS-PXLXIMEGSA-N 0 0 376.455 6.591 40 10 GKCBRN FC(F)(F)c1cccc2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21 ZINC000409168199 231173525 /nfs/dbraw/zinc/17/35/25/231173525.db2.gz LDMBLIREIPVSPR-PEBVRCNWSA-N 0 0 394.234 6.294 40 10 GKCBRN Cc1cccc(NCc2cc(Br)cc(Br)c2O)c1C ZINC000409122532 231167541 /nfs/dbraw/zinc/16/75/41/231167541.db2.gz ZFFYQGBNDFANJL-UHFFFAOYSA-N 0 0 385.099 5.146 40 10 GKCBRN Cc1cc(/C=C2\SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccccc1 ZINC000409139027 231170391 /nfs/dbraw/zinc/17/03/91/231170391.db2.gz LKZZEFMYUGHNDE-STZFKDTASA-N 0 0 394.540 5.711 40 10 GKCBRN Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(CC2CCCCC2)C1=O ZINC000409143570 231170765 /nfs/dbraw/zinc/17/07/65/231170765.db2.gz MSOSALXQQPLRCQ-RCCKNPSSSA-N 0 0 398.572 5.602 40 10 GKCBRN FC(F)(F)c1ccccc1[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@@H]21 ZINC000409151088 231171640 /nfs/dbraw/zinc/17/16/40/231171640.db2.gz GGQICIFNDZVVHW-FHSNZYRGSA-N 0 0 394.234 6.294 40 10 GKCBRN FC(F)(F)c1ccccc1[C@@H]1Nc2c(-c3ccccc3)cccc2[C@@H]2C=CC[C@H]21 ZINC000409151962 231171708 /nfs/dbraw/zinc/17/17/08/231171708.db2.gz IIVOYTFCHOLYQO-MFSJNOQSSA-N 0 0 391.436 7.199 40 10 GKCBRN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000409153371 231171737 /nfs/dbraw/zinc/17/17/37/231171737.db2.gz HUYMKMOJPNBVEY-PSTGCABASA-N 0 0 395.673 6.382 40 10 GKCBRN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000409153374 231171978 /nfs/dbraw/zinc/17/19/78/231171978.db2.gz HUYMKMOJPNBVEY-QFSBIZTOSA-N 0 0 395.673 6.382 40 10 GKCBRN Cc1cccc(COc2ccc(C[C@@H]3SC(=S)N(CC(C)C)C3=O)cc2)c1 ZINC000409149746 231172137 /nfs/dbraw/zinc/17/21/37/231172137.db2.gz PIVWSIKHGHKVKS-FQEVSTJZSA-N 0 0 399.581 5.001 40 10 GKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000409154986 231172571 /nfs/dbraw/zinc/17/25/71/231172571.db2.gz PQGCRQAABRUHGH-GPMSIDNRSA-N 0 0 399.288 5.801 40 10 GKCBRN O=[N+]([O-])c1cccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@@H]32)c1 ZINC000409158843 231173216 /nfs/dbraw/zinc/17/32/16/231173216.db2.gz YCAZISPGLQXGKC-IGCXYCKISA-N 0 0 394.780 6.094 40 10 GKCBRN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc31)N2 ZINC000409157275 231173220 /nfs/dbraw/zinc/17/32/20/231173220.db2.gz UUOPGXNZYVTKLT-MMOPVJDHSA-N 0 0 376.843 6.228 40 10 GKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)ccc1N1CCCC1 ZINC000409061554 231153489 /nfs/dbraw/zinc/15/34/89/231153489.db2.gz FLJMULQWFTZDQR-UYRXBGFRSA-N 0 0 398.915 5.490 40 10 GKCBRN Cc1cc(/C=C2/Sc3ccccc3NC2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409097007 231159025 /nfs/dbraw/zinc/15/90/25/231159025.db2.gz LTBBPOFMNGEDSK-HYARGMPZSA-N 0 0 389.524 5.245 40 10 GKCBRN FC(F)(F)c1ccccc1[C@@H]1Nc2c(cccc2C(F)(F)F)[C@@H]2C=CC[C@H]21 ZINC000409165228 231173753 /nfs/dbraw/zinc/17/37/53/231173753.db2.gz UZXIBSZOPGIAIO-PSTGCABASA-N 0 0 383.335 6.551 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000409163786 231173790 /nfs/dbraw/zinc/17/37/90/231173790.db2.gz XVIOBPRPQSYKRW-FTLABTOESA-N 0 0 384.228 6.839 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000409169163 231173935 /nfs/dbraw/zinc/17/39/35/231173935.db2.gz PILQAPVRYAYIEN-IIDMSEBBSA-N 0 0 394.234 6.294 40 10 GKCBRN Clc1ccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1Cl ZINC000409174135 231174548 /nfs/dbraw/zinc/17/45/48/231174548.db2.gz SFASRCFSINMPKZ-MSYCTHLASA-N 0 0 392.329 7.487 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000409174516 231174569 /nfs/dbraw/zinc/17/45/69/231174569.db2.gz MZFCHQYTSRRBAM-FHSNZYRGSA-N 0 0 384.228 6.839 40 10 GKCBRN Clc1ccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1Cl ZINC000409174138 231174825 /nfs/dbraw/zinc/17/48/25/231174825.db2.gz SFASRCFSINMPKZ-PWHSHALESA-N 0 0 392.329 7.487 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000409174517 231174962 /nfs/dbraw/zinc/17/49/62/231174962.db2.gz MZFCHQYTSRRBAM-SNUQEOBHSA-N 0 0 384.228 6.839 40 10 GKCBRN Cc1cc(/C=C2\c3ccccc3N(C)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409196807 231178117 /nfs/dbraw/zinc/17/81/17/231178117.db2.gz XYGKRTKHKGRGPT-XQNSMLJCSA-N 0 0 378.475 5.764 40 10 GKCBRN O=C1/C(=C/c2cccc(C(F)(F)F)c2)SC(=S)N1c1ccccc1F ZINC000409328258 231189828 /nfs/dbraw/zinc/18/98/28/231189828.db2.gz QTGPDZIWQTVIEL-ZROIWOOFSA-N 0 0 383.391 5.250 40 10 GKCBRN COc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c2ccccc12 ZINC000409330717 231191133 /nfs/dbraw/zinc/19/11/33/231191133.db2.gz LMFVFBVCKINVNN-UYRXBGFRSA-N 0 0 383.538 5.382 40 10 GKCBRN O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccccc1F ZINC000409342670 231193027 /nfs/dbraw/zinc/19/30/27/231193027.db2.gz GAGQPEAFPIQODU-NTEUORMPSA-N 0 0 383.391 5.250 40 10 GKCBRN O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1c1cccc(F)c1 ZINC000409346469 231193629 /nfs/dbraw/zinc/19/36/29/231193629.db2.gz KUGSRVUHSFOABL-RIYZIHGNSA-N 0 0 383.391 5.250 40 10 GKCBRN CSc1cccc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c1 ZINC000409346775 231193781 /nfs/dbraw/zinc/19/37/81/231193781.db2.gz OGJLPHJOONQZGG-OQLLNIDSSA-N 0 0 377.943 5.468 40 10 GKCBRN CCc1cccc2c(/C=C3/SC(=S)N(c4cccc(Cl)c4)C3=O)c[nH]c21 ZINC000409334207 529548817 /nfs/dbraw/zinc/54/88/17/529548817.db2.gz VDLCMXNNTTZMCR-RQZCQDPDSA-N 0 0 398.940 5.790 40 10 GKCBRN CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(Cc3ccccc3)c21 ZINC000409126869 529549046 /nfs/dbraw/zinc/54/90/46/529549046.db2.gz GEZQDSMNJYGTKR-UNOMPAQXSA-N 0 0 392.549 5.083 40 10 GKCBRN CCc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc1 ZINC000113838616 529584784 /nfs/dbraw/zinc/58/47/84/529584784.db2.gz YKESFFYPYORQTH-XSFVSMFZSA-N 0 0 375.518 5.808 40 10 GKCBRN CCc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000409329698 529584829 /nfs/dbraw/zinc/58/48/29/529584829.db2.gz HPCZMRFGBRJQEQ-SXGWCWSVSA-N 0 0 377.893 5.447 40 10 GKCBRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1=O ZINC000409021262 529695571 /nfs/dbraw/zinc/69/55/71/529695571.db2.gz ZQPYPIDYGHZINA-SLDJAQPHSA-N 0 0 382.529 5.546 40 10 GKCBRN CCc1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409165942 529718347 /nfs/dbraw/zinc/71/83/47/529718347.db2.gz BMXOTKMGYGFDIM-VCBZYWHSSA-N 0 0 377.837 6.748 40 10 GKCBRN O=S(=O)(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc2ccccc2c1 ZINC000018021071 210211262 /nfs/dbraw/zinc/21/12/62/210211262.db2.gz FSUIJTOEZZXVRA-WCWDXBQESA-N 0 0 387.464 6.056 40 10 GKCBRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000223535118 222635145 /nfs/dbraw/zinc/63/51/45/222635145.db2.gz AJIQXEMEZWCOEW-HXUWFJFHSA-N 0 0 390.980 5.373 40 10 GKCBRN CCOc1c(/N=N/c2ccc(Cl)cc2Cl)c(C)nn1C(=S)S ZINC000017142276 210205845 /nfs/dbraw/zinc/20/58/45/210205845.db2.gz QYSDNGPLTYBRCX-WUKNDPDISA-N 0 0 375.306 5.375 40 10 GKCBRN CN(CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)C(=O)Oc1ccccc1 ZINC000409004465 529837628 /nfs/dbraw/zinc/83/76/28/529837628.db2.gz XEABZEKUTKLXAP-OCOZRVBESA-N 0 0 388.427 5.171 40 10 GKCBRN CN1C(=O)/C(=C\c2ccccc2OCc2ccc3ccccc3c2)SC1=S ZINC000409329304 530039699 /nfs/dbraw/zinc/03/96/99/530039699.db2.gz DJEBLPOCUPKGQN-DEDYPNTBSA-N 0 0 391.517 5.250 40 10 GKCBRN O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccc(N2CCCCC2)cc1 ZINC000013612164 210072296 /nfs/dbraw/zinc/07/22/96/210072296.db2.gz RMNOQLAGAKJXQL-YRNVUSSQSA-N 0 0 389.326 5.313 40 10 GKCBRN O=[N+]([O-])c1ccc([C@H]2Nc3c(C(F)(F)F)ccc(Cl)c3[C@H]3C=CC[C@H]32)cc1 ZINC000002215230 209349909 /nfs/dbraw/zinc/34/99/09/209349909.db2.gz KPJBPVNCPOHPDZ-OGHNNQOOSA-N 0 0 394.780 6.094 40 10 GKCBRN Cc1ccccc1N=c1scc(-c2ccc(Cl)cc2)n1-c1ccccc1C ZINC000001878925 212258845 /nfs/dbraw/zinc/25/88/45/212258845.db2.gz YXJCCUDLKQASBD-UHFFFAOYSA-O 0 0 391.947 6.706 40 10 GKCBRN CCN(CC)c1ccc([C@@H](NC[C@@H]2CCCCO2)C(Cl)(Cl)Cl)cc1 ZINC000001667980 212253492 /nfs/dbraw/zinc/25/34/92/212253492.db2.gz LQBYSZDCMCCWBY-DLBZAZTESA-N 0 0 393.786 5.103 40 10 GKCBRN CCCCc1ccc(NCc2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000226242271 209188106 /nfs/dbraw/zinc/18/81/06/209188106.db2.gz YLTXZCDOEVLCBY-UHFFFAOYSA-N 0 0 381.520 5.786 40 10 GKCBRN CCN(CC)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000002745708 212062459 /nfs/dbraw/zinc/06/24/59/212062459.db2.gz DXDGSVFNOAJNOS-HSZRJFAPSA-N 0 0 377.532 5.432 40 10 GKCBRN COC(=O)c1ccc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004455944 204046364 /nfs/dbraw/zinc/04/63/64/204046364.db2.gz MAPLJDVVHBOMAU-TXPKVOOTSA-N 0 0 384.273 5.062 40 10 GKCBRN FC(F)(F)c1ccccc1[C@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@@H]21 ZINC000004689493 204064365 /nfs/dbraw/zinc/06/43/65/204064365.db2.gz LGCZLAYBUUQHRC-DINDLPBHSA-N 0 0 384.228 6.839 40 10 GKCBRN CC(C)(C)c1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000005726737 204149282 /nfs/dbraw/zinc/14/92/82/204149282.db2.gz IGOSWUFTXBTKQW-SFQUDFHCSA-N 0 0 398.509 5.298 40 10 GKCBRN Oc1c([C@H](Nc2cccnc2)c2ccc(Cl)cc2)cc(Cl)c2cccnc12 ZINC000008036183 204259716 /nfs/dbraw/zinc/25/97/16/204259716.db2.gz BFHXZASMXDDGDK-LJQANCHMSA-N 0 0 396.277 5.844 40 10 GKCBRN Cc1ccc(COc2cccc(/C=C3\SC(N4CCCCC4)=NC3=O)c2)cc1 ZINC000009188850 204301626 /nfs/dbraw/zinc/30/16/26/204301626.db2.gz NLSFXYBBHSTXOX-QNGOZBTKSA-N 0 0 392.524 5.030 40 10 GKCBRN CCc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000009188559 204302409 /nfs/dbraw/zinc/30/24/09/204302409.db2.gz CWZCOWFJAPUOGW-SXGWCWSVSA-N 0 0 394.348 5.962 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 ZINC000013517384 204493115 /nfs/dbraw/zinc/49/31/15/204493115.db2.gz YFDHVAURZOFVAM-HAHDFKILSA-N 0 0 386.426 5.211 40 10 GKCBRN CCCCCN(CCCCC)c1ccc(/C=C/c2ccnc3ccccc23)cc1 ZINC000037866040 205031581 /nfs/dbraw/zinc/03/15/81/205031581.db2.gz ITAZBTTYYXCYLS-DTQAZKPQSA-N 0 0 386.583 7.592 40 10 GKCBRN CC1=CC(C)(C)N=C(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)N1 ZINC000005022880 209120283 /nfs/dbraw/zinc/12/02/83/209120283.db2.gz XMAXLWMZCCIXOW-UHFFFAOYSA-N 0 0 377.879 5.004 40 10 GKCBRN Cc1ccc2ccc([C@@H](Nc3ccccc3F)c3cccc(F)c3)c(O)c2n1 ZINC000054200395 209113089 /nfs/dbraw/zinc/11/30/89/209113089.db2.gz YKZKHHDRPOTRHD-NRFANRHFSA-N 0 0 376.406 5.729 40 10 GKCBRN O=C(c1ccccc1)C(/N=N/c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000104270239 205649760 /nfs/dbraw/zinc/64/97/60/205649760.db2.gz XTEVBRHDJWFMFJ-BYYHNAKLSA-N 0 0 376.459 6.597 40 10 GKCBRN NC1=NC(=O)C(=NNc2ccccc2)C(Nc2ccc(Cl)c(Cl)c2)=N1 ZINC000104341694 205651117 /nfs/dbraw/zinc/65/11/17/205651117.db2.gz YJOHFXGBJWTXNO-VHXPQNKSSA-N 0 0 375.219 5.230 40 10 GKCBRN COc1ccc([C@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000004975157 205759661 /nfs/dbraw/zinc/75/96/61/205759661.db2.gz ZVEKCJLWAYVIIO-ZJNRKIDTSA-N 0 0 391.254 5.737 40 10 GKCBRN COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(C)C)cc2[C@@H]2C=CC[C@@H]21 ZINC000004959583 205760040 /nfs/dbraw/zinc/76/00/40/205760040.db2.gz NUPLFLFMYLNIBI-HYFFOGBASA-N 0 0 398.344 6.408 40 10 GKCBRN Cc1ccc(CCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C ZINC000225056907 206035564 /nfs/dbraw/zinc/03/55/64/206035564.db2.gz JXSORFKRDIEYSR-NRFANRHFSA-N 0 0 378.560 5.350 40 10 GKCBRN C[C@@H](NC(=S)Nc1ccccc1Cl)c1ccc(N2CCC(C)CC2)cc1 ZINC000225653978 206063921 /nfs/dbraw/zinc/06/39/21/206063921.db2.gz ZUYZIUIDIGIFSQ-MRXNPFEDSA-N 0 0 387.980 5.624 40 10 GKCBRN Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C ZINC000225653855 206064330 /nfs/dbraw/zinc/06/43/30/206064330.db2.gz TYEWAGKEESLZTK-IBGZPJMESA-N 0 0 381.589 5.587 40 10 GKCBRN COc1ccc(CCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C ZINC000225750534 206072348 /nfs/dbraw/zinc/07/23/48/206072348.db2.gz RROTZYLRQLKDGT-QUCCMNQESA-N 0 0 394.559 5.050 40 10 GKCBRN COc1ccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)cc1Cl ZINC000027644856 206253149 /nfs/dbraw/zinc/25/31/49/206253149.db2.gz XYZOMDLCEISUJW-OAQYLSRUSA-N 0 0 391.858 5.199 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@H]21 ZINC000004959475 211558322 /nfs/dbraw/zinc/55/83/22/211558322.db2.gz AAPAYTYTDVLTTC-IQUTYRLHSA-N 0 0 388.294 5.997 40 10 GKCBRN CCCCC(=O)N[C@H](c1ccc(C(C)C)cc1)c1c(O)ccc2ccccc21 ZINC000004957203 211556979 /nfs/dbraw/zinc/55/69/79/211556979.db2.gz VQAPDDGPUMMEIJ-RUZDIDTESA-N 0 0 375.512 6.065 40 10 GKCBRN CCn1c(-c2ccc([N+](=O)[O-])cc2)csc1=Nc1cccc2ccccc21 ZINC000002676989 206427924 /nfs/dbraw/zinc/42/79/24/206427924.db2.gz CONKPABEKSWEDJ-UHFFFAOYSA-O 0 0 376.461 5.528 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1Cl ZINC000009188623 206776139 /nfs/dbraw/zinc/77/61/39/206776139.db2.gz QVGRSUWJGRYRHA-NVNXTCNLSA-N 0 0 380.321 5.708 40 10 GKCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OC ZINC000009188594 206776819 /nfs/dbraw/zinc/77/68/19/206776819.db2.gz QNOOVMOVCOJTMT-UNOMPAQXSA-N 0 0 399.537 5.117 40 10 GKCBRN O=C1C=Cc2ccccc2C1=NNc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000018069206 207092119 /nfs/dbraw/zinc/09/21/19/207092119.db2.gz KESOSAWCVMRUDN-OCEACIFDSA-N 0 0 378.387 5.736 40 10 GKCBRN Cc1ccc(/N=N/c2cc(C)c(N)cc2N)cc1/N=N\c1cc(C)c(N)cc1N ZINC000018098743 207092656 /nfs/dbraw/zinc/09/26/56/207092656.db2.gz SOJKLCSQJMPLCK-ZTCSZMBZSA-N 0 0 388.479 5.771 40 10 GKCBRN Cc1ccc(/N=N/c2ccc(C)cc2NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000018057063 207093123 /nfs/dbraw/zinc/09/31/23/207093123.db2.gz MYOPYERBEIPQHA-OCEACIFDSA-N 0 0 398.293 7.278 40 10 GKCBRN Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000032109744 210572641 /nfs/dbraw/zinc/57/26/41/210572641.db2.gz CRSPCXZDRUUPNB-IUXPMGMMSA-N 0 0 392.883 5.331 40 10 GKCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1O[C@H](C)c1ccccc1 ZINC000032109505 207393239 /nfs/dbraw/zinc/39/32/39/207393239.db2.gz FAQKGMCUELKFOL-RMENWYJGSA-N 0 0 399.537 5.056 40 10 GKCBRN CSc1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000058851082 533002611 /nfs/dbraw/zinc/00/26/11/533002611.db2.gz QDGYSFHDNYTXCQ-VBHSOAQHSA-N 0 0 396.770 7.195 40 10 GKCBRN CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)/C1=C\c1ccccc1 ZINC000013426582 208782265 /nfs/dbraw/zinc/78/22/65/208782265.db2.gz JFSTVFQSVIACDW-BOPFTXTBSA-N 0 0 379.872 5.270 40 10 GKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21 ZINC000409171448 533131922 /nfs/dbraw/zinc/13/19/22/533131922.db2.gz BNOQFHQIWBQQOW-VBHSOAQHSA-N 0 0 390.361 5.449 40 10 GKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@H]21 ZINC000015228708 533132245 /nfs/dbraw/zinc/13/22/45/533132245.db2.gz VGNLYIWBQOMYOO-ZJNRKIDTSA-N 0 0 391.254 5.737 40 10 GKCBRN COc1ccccc1/N=N/c1c(NNc2ccccc2)ccc2cc(C)ccc21 ZINC000003847544 220666604 /nfs/dbraw/zinc/66/66/04/220666604.db2.gz YEMGMUIEISCLDJ-BYCLXTJYSA-N 0 0 382.467 7.011 40 10 GKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3nc4ccccc4[nH]3)SC2=S)cc1 ZINC000005235961 220848746 /nfs/dbraw/zinc/84/87/46/220848746.db2.gz HQBAUECAYLXSRF-AQTBWJFISA-N 0 0 393.537 5.311 40 10 GKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3)SC2=S)cc1 ZINC000005371306 220862003 /nfs/dbraw/zinc/86/20/03/220862003.db2.gz PEXDMQYRVNTEBG-RGEXLXHISA-N 0 0 383.538 5.444 40 10 GKCBRN O=C(CSc1nc2ccccc2o1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000005417949 220866179 /nfs/dbraw/zinc/86/61/79/220866179.db2.gz BVNJCMRTMZRQSS-OCOZRVBESA-N 0 0 388.452 5.974 40 10 GKCBRN CC(=O)Nc1ccc2c(c1)/C(=C\C=C\c1ccc(N(C)C)cc1)c1ccccc1-2 ZINC000008581600 221044637 /nfs/dbraw/zinc/04/46/37/221044637.db2.gz KAMGWGIWDCGLRR-CFOLEKMDSA-N 0 0 380.491 5.837 40 10 GKCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)cc1 ZINC000016575742 221364538 /nfs/dbraw/zinc/36/45/38/221364538.db2.gz XAZPFXQBKRIQHN-UNOMPAQXSA-N 0 0 383.538 5.220 40 10 GKCBRN Nc1nc(-c2ccc(Cl)cc2)c(N=Nc2ccc(Br)cc2)s1 ZINC000016956118 221373454 /nfs/dbraw/zinc/37/34/54/221373454.db2.gz LNCHAYXRFGJMRB-QZQOTICOSA-N 0 0 393.697 6.054 40 10 GKCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000408893932 533266402 /nfs/dbraw/zinc/26/64/02/533266402.db2.gz OPAMZDBQWVQGKE-JVDNRXPZSA-N 0 0 389.495 5.244 40 10 GKCBRN COc1ccc2cc(C3=C/C(=C\c4c(O)ccc5ccccc54)C(=O)O3)ccc2c1 ZINC000408722533 533326660 /nfs/dbraw/zinc/32/66/60/533326660.db2.gz JTIXRAHBWNFTAJ-XSFVSMFZSA-N 0 0 394.426 5.689 40 10 GKCBRN COc1ccc2cc(C3=C/C(=C/c4ccc(Cl)cc4Cl)C(=O)O3)ccc2c1 ZINC000408722569 533327025 /nfs/dbraw/zinc/32/70/25/533327025.db2.gz KWBWKVRMSYDASA-MFOYZWKCSA-N 0 0 397.257 6.137 40 10 GKCBRN C[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(N2CCC(C)CC2)cc1 ZINC000217901405 136203398 /nfs/dbraw/zinc/20/33/98/136203398.db2.gz WSJHXZSXLIJKNX-ZPHJMFTNSA-N 0 0 382.935 5.467 40 10 GKCBRN C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000217855523 136203409 /nfs/dbraw/zinc/20/34/09/136203409.db2.gz WSWZPWKRAFBTPC-CABCVRRESA-N 0 0 391.342 5.721 40 10 GKCBRN Cc1ccccc1CSCC(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000218016334 136203501 /nfs/dbraw/zinc/20/35/01/136203501.db2.gz LEXBVSLACBRNOA-FQEVSTJZSA-N 0 0 396.600 5.342 40 10 GKCBRN C[C@@H](Sc1ccccc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218058612 136203510 /nfs/dbraw/zinc/20/35/10/136203510.db2.gz PMPVZDADXJLBQV-CEXWTWQISA-N 0 0 382.573 5.281 40 10 GKCBRN C[C@@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218069637 136203516 /nfs/dbraw/zinc/20/35/16/136203516.db2.gz CJLBYXLEEGDSOO-VAMGGRTRSA-N 0 0 396.600 5.422 40 10 GKCBRN C[C@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218058447 136203539 /nfs/dbraw/zinc/20/35/39/136203539.db2.gz LJVBRHHOCDQXSN-OALUTQOASA-N 0 0 382.573 5.281 40 10 GKCBRN Cc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218139680 136203555 /nfs/dbraw/zinc/20/35/55/136203555.db2.gz FAVKLNKBLDLJGX-WOJBJXKFSA-N 0 0 396.600 5.589 40 10 GKCBRN C[C@@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218069453 136203581 /nfs/dbraw/zinc/20/35/81/136203581.db2.gz ZTIISNCBBOCNID-UXHICEINSA-N 0 0 396.600 5.422 40 10 GKCBRN C[C@H](NC(=O)CSCc1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218009983 136203574 /nfs/dbraw/zinc/20/35/74/136203574.db2.gz MLYDSYGJYSBTLN-IBGZPJMESA-N 0 0 382.573 5.034 40 10 GKCBRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccccc1CCc1ccccc1 ZINC000219003271 136203888 /nfs/dbraw/zinc/20/38/88/136203888.db2.gz IUASFAWYZRUVMX-UHFFFAOYSA-N 0 0 398.550 5.392 40 10 GKCBRN C[C@H](NC(=O)CCSCc1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218998371 136203918 /nfs/dbraw/zinc/20/39/18/136203918.db2.gz LJCBCXJVVIVKRG-FQEVSTJZSA-N 0 0 396.600 5.424 40 10 GKCBRN Cc1cc(C)c(C)c(OCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000218969132 136203961 /nfs/dbraw/zinc/20/39/61/136203961.db2.gz CEVXTCGNXUANNV-NRFANRHFSA-N 0 0 394.559 5.104 40 10 GKCBRN Cc1ccc(C)c(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000219071908 136203998 /nfs/dbraw/zinc/20/39/98/136203998.db2.gz FAJAWXUTHWXWIW-HMXCVIKNSA-N 0 0 394.559 5.184 40 10 GKCBRN Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1C ZINC000219310063 136204098 /nfs/dbraw/zinc/20/40/98/136204098.db2.gz IQHWNWMGMVKYFD-UIFIKXQLSA-N 0 0 394.559 5.184 40 10 GKCBRN Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1C ZINC000219309904 136204099 /nfs/dbraw/zinc/20/40/99/136204099.db2.gz HYFSQWLRAMTBPI-LEWJYISDSA-N 0 0 394.559 5.184 40 10 GKCBRN CCc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219294880 136204147 /nfs/dbraw/zinc/20/41/47/136204147.db2.gz QSAQRTIOYRFTKV-VQTJNVASSA-N 0 0 394.559 5.130 40 10 GKCBRN CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219317465 136204184 /nfs/dbraw/zinc/20/41/84/136204184.db2.gz WLYFEMUVLZVDLH-JXALWOEJSA-N 0 0 394.559 5.266 40 10 GKCBRN Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C ZINC000219518085 136204243 /nfs/dbraw/zinc/20/42/43/136204243.db2.gz LNEIWOMEMSFWTF-DUXKGJEZSA-N 0 0 394.559 5.184 40 10 GKCBRN CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219580476 136204251 /nfs/dbraw/zinc/20/42/51/136204251.db2.gz SQIVWZMUVXQKAN-FGSXEWAUSA-N 0 0 398.522 5.097 40 10 GKCBRN Cc1cc(C)cc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000219549547 136204303 /nfs/dbraw/zinc/20/43/03/136204303.db2.gz ZNZZMNJPXFGHNG-DUXKGJEZSA-N 0 0 394.559 5.184 40 10 GKCBRN C[C@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000222933227 136205276 /nfs/dbraw/zinc/20/52/76/136205276.db2.gz FCOSFYWQYQUDDV-CVEARBPZSA-N 0 0 388.914 5.135 40 10 GKCBRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C ZINC000223088687 136205537 /nfs/dbraw/zinc/20/55/37/136205537.db2.gz STDOHFNBVSWSDR-IEBWSBKVSA-N 0 0 380.532 5.121 40 10 GKCBRN CCN1c2ccc(/C=C3/C(=O)N(c4ccccc4)N=C3C)cc2[C@@H](C)CC1(C)C ZINC000223532554 136205803 /nfs/dbraw/zinc/20/58/03/136205803.db2.gz YCAJSVFXWLCJCN-HINJULBWSA-N 0 0 387.527 5.605 40 10 GKCBRN Cc1ccc(CCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C ZINC000223855340 136205983 /nfs/dbraw/zinc/20/59/83/136205983.db2.gz MDAJPDSXPXEGTB-NQIIRXRSSA-N 0 0 378.560 5.350 40 10 GKCBRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C ZINC000224318188 136206689 /nfs/dbraw/zinc/20/66/89/136206689.db2.gz CKRRGVVXVSNEKN-IBGZPJMESA-N 0 0 380.532 5.121 40 10 GKCBRN COc1cccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@@H]32)c1OC ZINC000409151714 533759987 /nfs/dbraw/zinc/75/99/87/533759987.db2.gz CYIDXLYKEBLEQP-QHRIQVFBSA-N 0 0 376.283 5.837 40 10 GKCBRN COc1cccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)c1OC ZINC000409157920 533760248 /nfs/dbraw/zinc/76/02/48/533760248.db2.gz QPCKQWDBKZEHRU-SNUQEOBHSA-N 0 0 386.835 5.092 40 10 GKCBRN COc1cccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@H]32)c1OC ZINC000409175137 533760375 /nfs/dbraw/zinc/76/03/75/533760375.db2.gz QLIOZKCBPHTSFG-PJIJBLCYSA-N 0 0 386.289 5.293 40 10 GKCBRN COc1ccc(Cl)c2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@@H]21 ZINC000409166282 533831038 /nfs/dbraw/zinc/83/10/38/533831038.db2.gz CQJCUGJIXDNSFT-FMTVUPSXSA-N 0 0 379.809 6.194 40 10 GKCBRN COc1ccc(Cl)c2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000408737705 533831299 /nfs/dbraw/zinc/83/12/99/533831299.db2.gz VQNLAFDCQPOEFO-FTLABTOESA-N 0 0 391.254 5.737 40 10 GKCBRN COc1ccc(Cl)c2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000409169115 533831502 /nfs/dbraw/zinc/83/15/02/533831502.db2.gz PVAKMLJJAZTCMY-SEDUGSJDSA-N 0 0 391.254 5.737 40 10 GKCBRN COc1ccc(Cl)c2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 ZINC000409170356 533831675 /nfs/dbraw/zinc/83/16/75/533831675.db2.gz UMQRTHIGJFLKIV-YRUZYCQGSA-N 0 0 380.702 6.482 40 10 GKCBRN COc1ccccc1/C=C1/N=C(c2ccc(Cl)cc2)N(c2ccccc2)C1=O ZINC000408766278 533952706 /nfs/dbraw/zinc/95/27/06/533952706.db2.gz TWVSKNAFNUQEOR-HMMYKYKNSA-N 0 0 388.854 5.183 40 10 GKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000409171164 534064844 /nfs/dbraw/zinc/06/48/44/534064844.db2.gz YJLGMDIJSHENQU-ARGWCVDVSA-N 0 0 388.294 5.915 40 10 GKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000409171167 534065072 /nfs/dbraw/zinc/06/50/72/534065072.db2.gz YJLGMDIJSHENQU-LAPQFRIASA-N 0 0 388.294 5.915 40 10 GKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000409155312 534065347 /nfs/dbraw/zinc/06/53/47/534065347.db2.gz QMSPOCJBHWNHED-JZKQVHKSSA-N 0 0 388.294 5.915 40 10 GKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2 ZINC000409169683 534065702 /nfs/dbraw/zinc/06/57/02/534065702.db2.gz QYRLTZCCBAOPNX-LAPQFRIASA-N 0 0 387.401 5.627 40 10 GKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000409176020 534065787 /nfs/dbraw/zinc/06/57/87/534065787.db2.gz XBGALPFINBQSCD-JZKQVHKSSA-N 0 0 398.846 5.170 40 10 GKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)(C)C)cc1)N2 ZINC000409150475 534163822 /nfs/dbraw/zinc/16/38/22/534163822.db2.gz BXZVVSPXUQRWSB-WWMYMODYSA-N 0 0 395.930 6.251 40 10 GKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000409170874 534249668 /nfs/dbraw/zinc/24/96/68/534249668.db2.gz XPUFBBPRNOSNPL-SXGZJXTBSA-N 0 0 398.846 5.170 40 10 GKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 ZINC000409173530 534250209 /nfs/dbraw/zinc/25/02/09/534250209.db2.gz JJOUFSCZWRJLHU-SIFCLUCFSA-N 0 0 388.294 5.915 40 10 GKCBRN O=C(Nc1ccccc1Cl)c1ccc2nc3ccc4ccccc4c3nc2c1 ZINC000408722792 534392174 /nfs/dbraw/zinc/39/21/74/534392174.db2.gz XDHLZBHEIKKISX-UHFFFAOYSA-N 0 0 383.838 5.842 40 10 GKCBRN Cc1ccc2c(Cl)c(C3=N/C(=C/c4ccc(N(C)C)cc4)C(=O)O3)sc2c1 ZINC000408837948 534393868 /nfs/dbraw/zinc/39/38/68/534393868.db2.gz AWZJTOOEBODHRO-LFIBNONCSA-N 0 0 396.899 5.274 40 10 GKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 ZINC000409156348 534419545 /nfs/dbraw/zinc/41/95/45/534419545.db2.gz FHIDMQOXOACHPP-VGTOOOLASA-N 0 0 384.228 6.839 40 10 GKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000409172336 534420213 /nfs/dbraw/zinc/42/02/13/534420213.db2.gz COKITBRWQGBWJV-IIYDPXPESA-N 0 0 384.228 6.839 40 10 GKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000409163211 534420540 /nfs/dbraw/zinc/42/05/40/534420540.db2.gz NQEOOSDZVOGYQB-IIYDPXPESA-N 0 0 384.228 6.839 40 10 GKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21 ZINC000409167108 534631059 /nfs/dbraw/zinc/63/10/59/534631059.db2.gz GTZIKCKCBBWKSR-SUNYJGFJSA-N 0 0 395.127 6.582 40 10 GKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21 ZINC000409167100 534631633 /nfs/dbraw/zinc/63/16/33/534631633.db2.gz GTZIKCKCBBWKSR-HBUWYVDXSA-N 0 0 395.127 6.582 40 10 GKCBRN Clc1cccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@@H]3C=CC[C@H]32)c1Cl ZINC000409162019 534648621 /nfs/dbraw/zinc/64/86/21/534648621.db2.gz CAIKWMQFPRHDML-RGZWJVDOSA-N 0 0 392.329 7.487 40 10 GKCBRN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408742149 534805939 /nfs/dbraw/zinc/80/59/39/534805939.db2.gz NKNGNDXRRVQVIL-RVDMUPIBSA-N 0 0 393.782 5.490 40 10 GKCBRN O=C1OC(c2cccc3ccccc32)=C/C1=C/c1ccc(Br)cc1 ZINC000408722425 534805493 /nfs/dbraw/zinc/80/54/93/534805493.db2.gz ITVXUZUACMJPTN-VBKFSLOCSA-N 0 0 377.237 5.584 40 10 GKCBRN Cc1ccccc1N1C(=O)/C(=C\c2cccc(C(F)(F)F)c2)SC1=S ZINC000409329930 534821720 /nfs/dbraw/zinc/82/17/20/534821720.db2.gz IWZPZJGOMMGKSP-XNTDXEJSSA-N 0 0 379.428 5.420 40 10 GKCBRN O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000409201330 534823492 /nfs/dbraw/zinc/82/34/92/534823492.db2.gz LONIMCJVKSWOQJ-LDADJPATSA-N 0 0 384.888 5.181 40 10 GKCBRN O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2)N1 ZINC000409185013 534852228 /nfs/dbraw/zinc/85/22/28/534852228.db2.gz PKDLZQTYUHNUIM-KCYKTTMJSA-N 0 0 377.443 5.289 40 10 GKCBRN Cc1cc(/N=N/c2cc(Br)cc(Br)c2)cc(C)c1N ZINC000017991356 526098612 /nfs/dbraw/zinc/09/86/12/526098612.db2.gz AWWKQGZKNOGUAN-VHEBQXMUSA-N 0 0 383.087 5.826 40 10 GKCBRN CC(C)(C)c1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000409161481 526791703 /nfs/dbraw/zinc/79/17/03/526791703.db2.gz XUIJCNFSTZOQET-OASJLCFRSA-N 0 0 379.547 7.478 40 10 GKCBRN CC(C)NC(=S)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000408735364 527730305 /nfs/dbraw/zinc/73/03/05/527730305.db2.gz OTNJIWXBKAKWAN-UHFFFAOYSA-N 0 0 396.519 5.784 40 10 GKCBRN CC1(C)Cc2c(cc(-c3ccccc3)n2-c2cccc(Br)c2)C(=O)C1 ZINC000408721294 527771642 /nfs/dbraw/zinc/77/16/42/527771642.db2.gz OADKJPKMTLFWII-UHFFFAOYSA-N 0 0 394.312 6.062 40 10 GKCBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCc1ccc(Cl)cc1 ZINC000103917850 528064695 /nfs/dbraw/zinc/06/46/95/528064695.db2.gz SKXDLYCHNDDJHJ-ZHZULCJRSA-N 0 0 385.870 5.046 40 10 GKCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(Cl)cc1 ZINC000112124501 528064855 /nfs/dbraw/zinc/06/48/55/528064855.db2.gz RXEQYOUGPCXWDI-UYRXBGFRSA-N 0 0 398.850 5.137 40 10 GKCBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(C)cc1C ZINC000112119643 528065061 /nfs/dbraw/zinc/06/50/61/528065061.db2.gz USMXLTGOEZGFLB-XLNRJJMWSA-N 0 0 377.488 5.201 40 10 GKCBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(C)c(C)c1 ZINC000112119716 528065478 /nfs/dbraw/zinc/06/54/78/528065478.db2.gz ITUFTAZDAORKAN-XLNRJJMWSA-N 0 0 377.488 5.201 40 10 GKCBRN CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(Br)cc1 ZINC000112124587 528066609 /nfs/dbraw/zinc/06/66/09/528066609.db2.gz FHALDFXVBUUFGY-RGEXLXHISA-N 0 0 398.304 5.338 40 10 GKCBRN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccccc1 ZINC000103918673 528067148 /nfs/dbraw/zinc/06/71/48/528067148.db2.gz RNRLZIMYUKUFCZ-RGEXLXHISA-N 0 0 376.485 5.185 40 10 GKCBRN CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(Cl)c(Cl)c1 ZINC000112122402 528067199 /nfs/dbraw/zinc/06/71/99/528067199.db2.gz MCEWKWHNYIOWAY-UYRXBGFRSA-N 0 0 388.298 5.882 40 10 GKCBRN CC(C)Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Cl ZINC000408901996 528131046 /nfs/dbraw/zinc/13/10/46/528131046.db2.gz JRFUUBORUDRQQM-GZTJUZNOSA-N 0 0 389.929 5.533 40 10 GKCBRN CC(C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409347825 528131168 /nfs/dbraw/zinc/13/11/68/528131168.db2.gz MZBLXZBYPSDWPL-LICLKQGHSA-N 0 0 389.929 5.533 40 10 GKCBRN CC(C)c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000409152639 528136707 /nfs/dbraw/zinc/13/67/07/528136707.db2.gz FSXIGBADLMNPPA-HLIPFELVSA-N 0 0 386.308 6.538 40 10 GKCBRN CC(C)c1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409151247 528136812 /nfs/dbraw/zinc/13/68/12/528136812.db2.gz FUELTWBSDPRZRS-GUXCAODWSA-N 0 0 391.864 7.309 40 10 GKCBRN CCCCCCOc1c(Cl)cc(C=C2SC(=S)NC2=O)cc1OCC ZINC000408539945 528146475 /nfs/dbraw/zinc/14/64/75/528146475.db2.gz KUPOUJIGBKYVOB-RVDMUPIBSA-N 0 0 399.965 5.187 40 10 GKCBRN CC1=NN(c2ccc(Br)cc2C)C(=O)C1=CNc1cccc(C)c1C ZINC000408536927 528147544 /nfs/dbraw/zinc/14/75/44/528147544.db2.gz YHSSFQRMZVTOBG-BOPFTXTBSA-N 0 0 398.304 5.093 40 10 GKCBRN CCCN1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)cc2)SC1=S ZINC000409342630 528162602 /nfs/dbraw/zinc/16/26/02/528162602.db2.gz BXCVMZRFHVLKFH-UYRXBGFRSA-N 0 0 383.538 5.185 40 10 GKCBRN CCCN1C(=O)/C(=C\c2ccc(Sc3ccc(C)cc3)o2)SC1=S ZINC000409330238 528163731 /nfs/dbraw/zinc/16/37/31/528163731.db2.gz KCZLQCBLFBXQEK-RVDMUPIBSA-N 0 0 375.540 5.350 40 10 GKCBRN CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Cl ZINC000408903487 528167881 /nfs/dbraw/zinc/16/78/81/528167881.db2.gz YOEPLEOFENWPKS-OQLLNIDSSA-N 0 0 375.255 5.198 40 10 GKCBRN CC(C)Oc1ccccc1/C=C1/SC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000409331810 528245171 /nfs/dbraw/zinc/24/51/71/528245171.db2.gz OBTWUJQBMZKXLZ-GZTJUZNOSA-N 0 0 389.929 5.533 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1ccc3c4c(cccc41)CC3)[C@H]1CC=C[C@@H]21 ZINC000408736290 528257824 /nfs/dbraw/zinc/25/78/24/528257824.db2.gz PHIVOMBABULXFF-KNOQFWTLSA-N 0 0 395.502 5.942 40 10 GKCBRN CCOc1ccc(-n2c(C)cc(-c3nc4sc(C)c(C)c4c(=O)[nH]3)c2C)cc1 ZINC000408734743 528358724 /nfs/dbraw/zinc/35/87/24/528358724.db2.gz IYZQPPJYHHFQPS-UHFFFAOYSA-N 0 0 393.512 5.487 40 10 GKCBRN CCOc1ccc(-n2c(C)cc(/C=C3\c4ccccc4N(CC)C3=O)c2C)cc1 ZINC000409196428 528359310 /nfs/dbraw/zinc/35/93/10/528359310.db2.gz VCZKTLKFPJFRCA-XQNSMLJCSA-N 0 0 386.495 5.400 40 10 GKCBRN CCOc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c(OCC)c1 ZINC000113830656 528369024 /nfs/dbraw/zinc/36/90/24/528369024.db2.gz CTOCAAZPQQLKQX-LDADJPATSA-N 0 0 391.558 5.018 40 10 GKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000408984206 528370492 /nfs/dbraw/zinc/37/04/92/528370492.db2.gz FQVGXRFULDXADJ-HAVVHWLPSA-N 0 0 381.475 5.552 40 10 GKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408986411 528370628 /nfs/dbraw/zinc/37/06/28/528370628.db2.gz QLRYQXUVWUJOJY-CAPFRKAQSA-N 0 0 383.447 5.262 40 10 GKCBRN CCOc1ccc(NC(C)=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000112124685 528481110 /nfs/dbraw/zinc/48/11/10/528481110.db2.gz SHVICZFKFYTOKM-NKFKGCMQSA-N 0 0 397.478 5.222 40 10 GKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccc(Cl)cc2)cc1 ZINC000408766547 528482596 /nfs/dbraw/zinc/48/25/96/528482596.db2.gz VKXDRQXYZTVCBE-XSFVSMFZSA-N 0 0 392.842 5.166 40 10 GKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2cccc(C)c2)cc1 ZINC000408766583 528482792 /nfs/dbraw/zinc/48/27/92/528482792.db2.gz VTAFMUUNLOJRLD-RCCKNPSSSA-N 0 0 388.492 5.290 40 10 GKCBRN CC(C)n1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)c2ccccc21 ZINC000409344340 528544672 /nfs/dbraw/zinc/54/46/72/528544672.db2.gz JACXWMOONPCJLJ-GRSHGNNSSA-N 0 0 396.512 5.767 40 10 GKCBRN CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(C2CCCCC2)C1=O ZINC000409346142 528624141 /nfs/dbraw/zinc/62/41/41/528624141.db2.gz NHJUGKIKDFHVSP-ZHZULCJRSA-N 0 0 397.565 5.772 40 10 GKCBRN CCCCOc1ccc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)cc1 ZINC000408723416 528657501 /nfs/dbraw/zinc/65/75/01/528657501.db2.gz UDNMSVBNOVRNTD-LGMDPLHJSA-N 0 0 399.284 5.609 40 10 GKCBRN CCCCOc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000409350388 528657785 /nfs/dbraw/zinc/65/77/85/528657785.db2.gz RMOPLJUOXBMCNG-NBVRZTHBSA-N 0 0 375.559 5.399 40 10 GKCBRN CCCOc1ccccc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O ZINC000408605263 528768207 /nfs/dbraw/zinc/76/82/07/528768207.db2.gz YALDAAJABWPKFL-BOPFTXTBSA-N 0 0 389.929 5.535 40 10 GKCBRN CCCn1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c2ccccc21 ZINC000409338889 528828503 /nfs/dbraw/zinc/82/85/03/528828503.db2.gz QFMWLFKLRZTMKK-YBFXNURJSA-N 0 0 396.512 5.596 40 10 GKCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)c2ccccc21 ZINC000409206193 528943521 /nfs/dbraw/zinc/94/35/21/528943521.db2.gz VVVZPQDQNPSQMF-KOEQRZSOSA-N 0 0 392.502 6.154 40 10 GKCBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000408901873 529191987 /nfs/dbraw/zinc/19/19/87/529191987.db2.gz IESYIXFGTNZALX-ITRAFESCSA-N 0 0 399.537 5.278 40 10 GKCBRN CCCN1C(=O)S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C1=O ZINC000223565455 535346761 /nfs/dbraw/zinc/34/67/61/535346761.db2.gz BWUWLEBKPAHUFT-VUFYJBQKSA-N 0 0 386.561 5.634 40 10 GKCBRN CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)C1=O ZINC000223518360 535435711 /nfs/dbraw/zinc/43/57/11/535435711.db2.gz FEORRBYUEFDYRH-ODLFYWEKSA-N 0 0 384.545 5.462 40 10 GKCBRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219327446 535817767 /nfs/dbraw/zinc/81/77/67/535817767.db2.gz KWUXKEXPMUJHGU-FDDCHVKYSA-N 0 0 398.522 5.097 40 10 GKCBRN CCc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219294912 535972084 /nfs/dbraw/zinc/97/20/84/535972084.db2.gz QSAQRTIOYRFTKV-UXHICEINSA-N 0 0 394.559 5.130 40 10 GKCBRN CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219595406 536045217 /nfs/dbraw/zinc/04/52/17/536045217.db2.gz YPIZDRZMFBQEKB-YKSBVNFPSA-N 0 0 394.559 5.266 40 10 GKCBRN CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219313507 536049251 /nfs/dbraw/zinc/04/92/51/536049251.db2.gz IRWQDLNJUUGNOV-REWPJTCUSA-N 0 0 394.559 5.266 40 10 GKCBRN Cc1c(Cl)ccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000020704133 570280822 /nfs/dbraw/zinc/28/08/22/570280822.db2.gz LONUTKTZJIQJTR-VLXJIEOASA-N 0 0 375.255 6.037 40 10 GKCBRN Brc1cccc2c1N[C@H](c1cccc3ccccc31)[C@@H]1CC=C[C@@H]21 ZINC000020698714 570280843 /nfs/dbraw/zinc/28/08/43/570280843.db2.gz YMYMFRMECUUBCQ-HGHGUNKESA-N 0 0 376.297 6.429 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 ZINC000020711350 570281261 /nfs/dbraw/zinc/28/12/61/570281261.db2.gz SGKOJUFJFBAXQD-NQCMUKECSA-N 0 0 375.255 6.037 40 10 GKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000020712216 570281398 /nfs/dbraw/zinc/28/13/98/570281398.db2.gz WQAMXJBZLQXKPJ-FMTVUPSXSA-N 0 0 391.254 5.737 40 10 GKCBRN CCn1c2ccccc2c2cc(N)c(/N=N\c3ccc([N+](=O)[O-])c(OC)c3)cc21 ZINC000104202926 570299125 /nfs/dbraw/zinc/29/91/25/570299125.db2.gz IYOHVPGSAUKUMT-VHXPQNKSSA-N 0 0 389.415 5.729 40 10 GKCBRN CCOc1c(/N=N\c2ccccc2OC)c(-c2ccccc2)nn1C(=S)S ZINC000104231023 570299871 /nfs/dbraw/zinc/29/98/71/570299871.db2.gz IRMUGWDZRGYIMQ-MRCUWXFGSA-N 0 0 398.513 5.436 40 10 GKCBRN CN1CCCc2cc([C@@H]3c4ccccc4C=CN3C(=O)c3ccccc3)ccc21 ZINC000022114843 570306051 /nfs/dbraw/zinc/30/60/51/570306051.db2.gz QRLFOEAOWZMSRQ-RUZDIDTESA-N 0 0 380.491 5.285 40 10 GKCBRN c1ccc2c(c1)ccc1c3nc4ccccc4nc3c3ccc4ccccc4c3c21 ZINC000003847097 570351990 /nfs/dbraw/zinc/35/19/90/570351990.db2.gz SDBGDICPWGYYLO-UHFFFAOYSA-N 0 0 380.450 7.396 40 10 GKCBRN Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)CCN2CCSC2=O)cc1 ZINC000102879656 570383372 /nfs/dbraw/zinc/38/33/72/570383372.db2.gz FEWGBLSCROHFSW-GHVJWSGMSA-N 0 0 382.489 5.216 40 10 GKCBRN O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2F)N1c1ccc(O)cc1 ZINC000408754831 570393373 /nfs/dbraw/zinc/39/33/73/570393373.db2.gz LLMJFAROWHGODB-DEDYPNTBSA-N 0 0 392.817 5.019 40 10 GKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccc(F)cc2)cc1 ZINC000408755781 570393605 /nfs/dbraw/zinc/39/36/05/570393605.db2.gz PGPPNCFXLYQETE-CJLVFECKSA-N 0 0 386.426 5.059 40 10 GKCBRN O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2)N1c1ccc(Cl)cc1 ZINC000408756786 570394284 /nfs/dbraw/zinc/39/42/84/570394284.db2.gz XGLNMKMNBIRDHT-XSFVSMFZSA-N 0 0 376.818 5.314 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccccc2Cl)cc1 ZINC000408759031 570394331 /nfs/dbraw/zinc/39/43/31/570394331.db2.gz WTUNWEAELSELNH-KGENOOAVSA-N 0 0 390.845 5.622 40 10 GKCBRN O=C1/C(=C\c2ccccc2F)N=C(c2ccc(Cl)cc2)N1c1ccc(F)cc1 ZINC000408758739 570395541 /nfs/dbraw/zinc/39/55/41/570395541.db2.gz QEJDOWSBGSWCMY-DEDYPNTBSA-N 0 0 394.808 5.453 40 10 GKCBRN FC(F)(F)c1ccccc1[C@H]1Nc2c(Cl)c(Cl)ccc2[C@@H]2C=CC[C@@H]21 ZINC000004721958 570397949 /nfs/dbraw/zinc/39/79/49/570397949.db2.gz QYSMKNMMLMUFOC-RLFDGXBXSA-N 0 0 384.228 6.839 40 10 GKCBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(C3CCCCC3)C2=O)cc1 ZINC000408763031 570399842 /nfs/dbraw/zinc/39/98/42/570399842.db2.gz QYBCXKXIXJEGDF-CYVLTUHYSA-N 0 0 393.914 5.948 40 10 GKCBRN Fc1cccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)c1 ZINC000006970109 570415052 /nfs/dbraw/zinc/41/50/52/570415052.db2.gz XXMBUGAKYUAAAK-DAYGRLMNSA-N 0 0 391.227 5.257 40 10 GKCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccc1 ZINC000222611375 570416735 /nfs/dbraw/zinc/41/67/35/570416735.db2.gz WXSYUWDJCFGFQK-KNXBSLHKSA-N 0 0 388.540 5.078 40 10 GKCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(C)n3-c3ccccc3)N21 ZINC000222718463 570422199 /nfs/dbraw/zinc/42/21/99/570422199.db2.gz PPUPRMQSGHTKLJ-MTNREXPMSA-N 0 0 388.540 5.160 40 10 GKCBRN Cc1ccc(C(=O)Nc2cc3c4c(c2)[C@H]2C=CC[C@@H]2CN4C[C@@H]2CC=C[C@H]32)cc1 ZINC000005330716 570434392 /nfs/dbraw/zinc/43/43/92/570434392.db2.gz RLPNGAYKCGQFGU-MXNKGDRCSA-N 0 0 382.507 5.400 40 10 GKCBRN CC(=O)c1ccc(N2C(=O)C(=CC(Cl)=Cc3ccccc3)SC2=S)cc1 ZINC000005372227 570435612 /nfs/dbraw/zinc/43/56/12/570435612.db2.gz ZVNIVGCILXAXKG-UOEITARKSA-N 0 0 399.924 5.418 40 10 GKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 ZINC000005372299 570435631 /nfs/dbraw/zinc/43/56/31/570435631.db2.gz RFYCQORROOQMRE-UNOMPAQXSA-N 0 0 397.521 5.164 40 10 GKCBRN CCc1ccccc1N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S ZINC000005372353 570435743 /nfs/dbraw/zinc/43/57/43/570435743.db2.gz ALMLCDYKRUOWME-YBEGLDIGSA-N 0 0 377.893 5.447 40 10 GKCBRN Oc1c([C@@H](Nc2ccccn2)c2ccc(C(F)(F)F)cc2)ccc2cccnc21 ZINC000001463362 570437651 /nfs/dbraw/zinc/43/76/51/570437651.db2.gz INVQPPWIRWLBBU-IBGZPJMESA-N 0 0 395.384 5.556 40 10 GKCBRN CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000005544097 570444594 /nfs/dbraw/zinc/44/45/94/570444594.db2.gz GTGAFEQFSKLTSD-VGOFMYFVSA-N 0 0 390.226 5.016 40 10 GKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3ccc(OCC)cc3)SC2=S)cc1 ZINC000005552025 570445356 /nfs/dbraw/zinc/44/53/56/570445356.db2.gz IMWSAJUJHIZOLG-HKWRFOASSA-N 0 0 397.565 5.834 40 10 GKCBRN CCc1ccccc1N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S ZINC000005551983 570445522 /nfs/dbraw/zinc/44/55/22/570445522.db2.gz AUTCHRDVPRSGRH-ZHZULCJRSA-N 0 0 375.518 5.808 40 10 GKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=S)cc1 ZINC000005551903 570445571 /nfs/dbraw/zinc/44/55/71/570445571.db2.gz IFHAZIGHXWOXAK-AQTBWJFISA-N 0 0 398.509 5.343 40 10 GKCBRN O=C(c1ccccc1F)c1cc(Cl)ccc1NC(=S)Nc1ccccc1 ZINC000005672531 570450962 /nfs/dbraw/zinc/45/09/62/570450962.db2.gz VOEFLAPPMPEFMU-UHFFFAOYSA-N 0 0 384.863 5.519 40 10 GKCBRN CCc1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@@H]32)cc1 ZINC000008087406 570459353 /nfs/dbraw/zinc/45/93/53/570459353.db2.gz YNEAEHXZBKBPPL-NJSLBKSFSA-N 0 0 378.730 7.036 40 10 GKCBRN CSc1ccc(C[C@H]2SC(=S)N(CCC3CCCCC3)C2=O)cc1 ZINC000008169618 570468455 /nfs/dbraw/zinc/46/84/55/570468455.db2.gz LOYRDLPRKUBOPJ-QGZVFWFLSA-N 0 0 379.616 5.150 40 10 GKCBRN COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408760258 570469715 /nfs/dbraw/zinc/46/97/15/570469715.db2.gz VNCGRQQGKQJPGB-XQNSMLJCSA-N 0 0 382.463 5.147 40 10 GKCBRN Cc1cccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2cccc(C)c2)c1 ZINC000408761331 570470557 /nfs/dbraw/zinc/47/05/57/570470557.db2.gz IOKUXJLFQXALPR-PXLXIMEGSA-N 0 0 386.882 5.791 40 10 GKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000006390059 570478753 /nfs/dbraw/zinc/47/87/53/570478753.db2.gz QHTDKILFXGLBJU-LPMFXHHGSA-N 0 0 389.282 6.345 40 10 GKCBRN C[C@H](c1ccccc1)N1C(=O)C(=Cc2c[nH]nc2-c2ccccc2)SC1=S ZINC000006413164 570479425 /nfs/dbraw/zinc/47/94/25/570479425.db2.gz YWEKGNWETMHRGN-CRRKTRLDSA-N 0 0 391.521 5.039 40 10 GKCBRN CCN(CC)c1ccc(CNC(=O)CCCSc2ccc(Cl)cc2)cc1 ZINC000223969543 570492340 /nfs/dbraw/zinc/49/23/40/570492340.db2.gz NWVFIWVBFCZTNK-UHFFFAOYSA-N 0 0 390.980 5.375 40 10 GKCBRN Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000032109800 570508794 /nfs/dbraw/zinc/50/87/94/570508794.db2.gz FSEMYZOTDCJXQB-BKUYFWCQSA-N 0 0 390.508 5.692 40 10 GKCBRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1Cl ZINC000224701790 570525599 /nfs/dbraw/zinc/52/55/99/570525599.db2.gz RZTPANHQHNKDDW-INIZCTEOSA-N 0 0 386.923 5.220 40 10 GKCBRN O=C1N=C(Nc2ccc(Cl)cc2)SC1=Cc1ccc(Br)cc1 ZINC000035624703 570531553 /nfs/dbraw/zinc/53/15/53/570531553.db2.gz SDQGEWCWIWTBGN-NTEUORMPSA-N 0 0 393.693 5.185 40 10 GKCBRN Oc1c([C@H](Nc2cccc3ccccc32)c2ccccc2)ccc2cccnc21 ZINC000008617646 570536012 /nfs/dbraw/zinc/53/60/12/570536012.db2.gz YDLXQKOBCIJTTR-XMMPIXPASA-N 0 0 376.459 6.295 40 10 GKCBRN O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2Cl)N1c1ccccc1 ZINC000408755603 570544930 /nfs/dbraw/zinc/54/49/30/570544930.db2.gz OUGBSIGKEVUBKV-XSFVSMFZSA-N 0 0 393.273 5.828 40 10 GKCBRN CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\N(Cc1ccccc1)c1ccccc1 ZINC000035183020 570550252 /nfs/dbraw/zinc/55/02/52/570550252.db2.gz YWCPVMPENGRYCZ-MOHJPFBDSA-N 0 0 381.479 5.308 40 10 GKCBRN O=C1/C(=C/c2ccccc2)SC(=S)N1c1ccc(Oc2ccccc2)cc1 ZINC000009188806 570551262 /nfs/dbraw/zinc/55/12/62/570551262.db2.gz VBOCJAZRUUVARU-HKWRFOASSA-N 0 0 389.501 5.885 40 10 GKCBRN CC(C)N1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S ZINC000009188398 570551274 /nfs/dbraw/zinc/55/12/74/570551274.db2.gz LKCMGXRWPMHIIF-WJDWOHSUSA-N 0 0 391.602 5.597 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)SC2=S)cc1C ZINC000009188583 570551278 /nfs/dbraw/zinc/55/12/78/570551278.db2.gz KQNDCMUKDAGFFO-UYRXBGFRSA-N 0 0 381.566 6.007 40 10 GKCBRN CCCN1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S ZINC000009188409 570551302 /nfs/dbraw/zinc/55/13/02/570551302.db2.gz CSGXBPDFBRFCCR-VBKFSLOCSA-N 0 0 391.602 5.598 40 10 GKCBRN C[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225309480 570563797 /nfs/dbraw/zinc/56/37/97/570563797.db2.gz GMYSUNXBQLEEFT-QZTJIDSGSA-N 0 0 384.951 5.386 40 10 GKCBRN FC(F)(F)c1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000225417102 570572086 /nfs/dbraw/zinc/57/20/86/570572086.db2.gz VPKUMIZUGYZJMM-UHFFFAOYSA-N 0 0 393.478 5.182 40 10 GKCBRN C[C@@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225627637 570596148 /nfs/dbraw/zinc/59/61/48/570596148.db2.gz SQRQDYHRBPCKNC-NHCUHLMSSA-N 0 0 390.571 5.612 40 10 GKCBRN CC(C)c1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000225662799 570599634 /nfs/dbraw/zinc/59/96/34/570599634.db2.gz VNFLVYAYOMUCLQ-SFHVURJKSA-N 0 0 381.589 5.848 40 10 GKCBRN C[C@@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(N2CCCCC2)cc1 ZINC000225664360 570600200 /nfs/dbraw/zinc/60/02/00/570600200.db2.gz VCFDPKSFXSUJLA-CQSZACIVSA-N 0 0 391.943 5.517 40 10 GKCBRN CC(C)Oc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000225665888 570600212 /nfs/dbraw/zinc/60/02/12/570600212.db2.gz JHNFWXQUPAZIBA-GOSISDBHSA-N 0 0 397.588 5.512 40 10 GKCBRN C[C@@H](NC(=S)Nc1c(F)cccc1F)c1ccc(N2CCCCC2)cc1 ZINC000225664782 570600249 /nfs/dbraw/zinc/60/02/49/570600249.db2.gz SEPSBIFTEAPYPF-CQSZACIVSA-N 0 0 375.488 5.003 40 10 GKCBRN Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C ZINC000225667442 570600561 /nfs/dbraw/zinc/60/05/61/570600561.db2.gz TVQGHUNIQXODGD-VQIMIIECSA-N 0 0 381.589 5.587 40 10 GKCBRN C[C@H](NC(=S)Nc1ccccc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225667579 570600589 /nfs/dbraw/zinc/60/05/89/570600589.db2.gz OHNXZXXKAGBQSP-CVEARBPZSA-N 0 0 387.980 5.624 40 10 GKCBRN C[C@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225669370 570600725 /nfs/dbraw/zinc/60/07/25/570600725.db2.gz GMTCVYLYNVFJKJ-CABCVRRESA-N 0 0 389.515 5.249 40 10 GKCBRN C[C@H](NC(=S)Nc1c(F)cccc1F)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225669727 570600887 /nfs/dbraw/zinc/60/08/87/570600887.db2.gz OMLPEQZLROEQNA-CABCVRRESA-N 0 0 389.515 5.249 40 10 GKCBRN C[C@@H](NC(=S)Nc1c(F)cccc1F)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225669703 570601212 /nfs/dbraw/zinc/60/12/12/570601212.db2.gz OMLPEQZLROEQNA-HUUCEWRRSA-N 0 0 389.515 5.249 40 10 GKCBRN COc1cc(OC)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000004151393 570618990 /nfs/dbraw/zinc/61/89/90/570618990.db2.gz ZTIUKDUSOARIJB-FRQCXROJSA-N 0 0 386.289 5.293 40 10 GKCBRN Cc1cc(/C=C2\C=C(c3ccc(C(C)(C)C)cc3)OC2=O)c(C)n1-c1ccccc1 ZINC000083309597 570628677 /nfs/dbraw/zinc/62/86/77/570628677.db2.gz OBMVRAHMBLDTBL-CJLVFECKSA-N 0 0 397.518 6.373 40 10 GKCBRN COc1ccc(C2=C/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C(=O)O2)cc1 ZINC000083260611 570628729 /nfs/dbraw/zinc/62/87/29/570628729.db2.gz DEMISKRRGPEUNV-FOWTUZBSSA-N 0 0 378.811 5.590 40 10 GKCBRN CN1C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)SC1=S ZINC000083312769 570628749 /nfs/dbraw/zinc/62/87/49/570628749.db2.gz JWCKIDBGPIRDJU-ZDLGFXPLSA-N 0 0 398.940 5.174 40 10 GKCBRN FC(F)(F)c1ccccc1[C@H]1Nc2cc(Cl)cc(Cl)c2[C@@H]2C=CC[C@H]21 ZINC000004721975 570632150 /nfs/dbraw/zinc/63/21/50/570632150.db2.gz RMSFNPMEZBGVFQ-FMTVUPSXSA-N 0 0 384.228 6.839 40 10 GKCBRN COc1ccc([C@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000004757834 570632664 /nfs/dbraw/zinc/63/26/64/570632664.db2.gz CBOIWRUQWHIBNW-VEVIJQCQSA-N 0 0 390.361 5.449 40 10 GKCBRN O=C1N=C(Nc2cccc(Cl)c2Cl)SC1=Cc1cccc2ccccc12 ZINC000005555262 570633572 /nfs/dbraw/zinc/63/35/72/570633572.db2.gz NOJVCKZURSGVNU-BOPFTXTBSA-N 0 0 399.302 6.229 40 10 GKCBRN Cc1ccc(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br ZINC000226233739 570642075 /nfs/dbraw/zinc/64/20/75/570642075.db2.gz RUIIPFJSWYEBQS-UHFFFAOYSA-N 0 0 384.361 6.324 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000033568125 570645570 /nfs/dbraw/zinc/64/55/70/570645570.db2.gz LQQJTTHOTMKEMF-ATVHPVEESA-N 0 0 397.261 6.060 40 10 GKCBRN CCCC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1c(O)ccc2ccccc21 ZINC000004957193 570646991 /nfs/dbraw/zinc/64/69/91/570646991.db2.gz XCOULJSXOKDHCG-OAQYLSRUSA-N 0 0 388.294 5.858 40 10 GKCBRN Cc1ccc(Cl)cc1-c1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)o1 ZINC000058865531 570648183 /nfs/dbraw/zinc/64/81/83/570648183.db2.gz RBRYMLCGTNEVKZ-UHFFFAOYSA-N 0 0 386.831 5.052 40 10 GKCBRN Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 ZINC000058850615 570648298 /nfs/dbraw/zinc/64/82/98/570648298.db2.gz PFACNMUSJRSZNQ-BWACUDIHSA-N 0 0 395.127 6.582 40 10 GKCBRN CCOC(=O)[C@@H]1Nc2ccc(-c3nc4ccc(C)cc4s3)cc2[C@@H]2C=CC[C@@H]21 ZINC000058851030 570648364 /nfs/dbraw/zinc/64/83/64/570648364.db2.gz MCEDFBVLKHRDDV-VWKPWSFCSA-N 0 0 390.508 5.289 40 10 GKCBRN COc1cc(OC)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000004959535 570653426 /nfs/dbraw/zinc/65/34/26/570653426.db2.gz QFZRMCUSDMLCHR-KSMMKXTCSA-N 0 0 386.835 5.092 40 10 GKCBRN COc1cc([C@H]2Nc3c4ccccc4ccc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000004959492 570653451 /nfs/dbraw/zinc/65/34/51/570653451.db2.gz DGKGIADMRQEHSN-YCRNBWNJSA-N 0 0 387.479 5.692 40 10 GKCBRN COc1ccc([C@H]2Nc3c(Cl)c(Cl)ccc3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000004975184 570655429 /nfs/dbraw/zinc/65/54/29/570655429.db2.gz LFYKIRDJFXQXEA-OAVHHTNSSA-N 0 0 391.254 5.737 40 10 GKCBRN COc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3Cl)SC2=S)cc1 ZINC000059417998 570656444 /nfs/dbraw/zinc/65/64/44/570656444.db2.gz GKHPMABAJIQTRS-QVOHYOOSSA-N 0 0 387.913 5.311 40 10 GKCBRN COc1ccc(C2=C/C(=C\c3c4ccccc4cc4ccccc43)C(=O)O2)cc1 ZINC000059425534 570656528 /nfs/dbraw/zinc/65/65/28/570656528.db2.gz MGMGYJGXALGMLH-HMMYKYKNSA-N 0 0 378.427 5.983 40 10 GKCBRN CCCN1C(=O)/C(=C\c2cccc(OCc3ccccc3F)c2)SC1=S ZINC000059418264 570656570 /nfs/dbraw/zinc/65/65/70/570656570.db2.gz ANPYXOIWBKZOJT-LDADJPATSA-N 0 0 387.501 5.016 40 10 GKCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)SC1=S ZINC000409007721 570670448 /nfs/dbraw/zinc/67/04/48/570670448.db2.gz QYMFGVYLGLEKQA-MOSHPQCFSA-N 0 0 392.549 5.468 40 10 GKCBRN Cc1noc(C)c1CSCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000006785232 570676148 /nfs/dbraw/zinc/67/61/48/570676148.db2.gz WQZQKMHFCVSOKL-GHVJWSGMSA-N 0 0 380.473 5.579 40 10 GKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2C)cc1 ZINC000408773114 570682701 /nfs/dbraw/zinc/68/27/01/570682701.db2.gz PABKVSMLOOGSHG-RCCKNPSSSA-N 0 0 396.446 5.683 40 10 GKCBRN CC[C@H](C)N1C(=O)SC(=CC2=CC(=NNc3ccccc3)C=CC2=O)C1=O ZINC000409010077 570693256 /nfs/dbraw/zinc/69/32/56/570693256.db2.gz DFJPCFTZVTXLTO-HAKHDRDISA-N 0 0 381.457 5.642 40 10 GKCBRN Cc1cc(/C=C2\Sc3ccccc3NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000409103628 570698312 /nfs/dbraw/zinc/69/83/12/570698312.db2.gz DNYSPHMCLJMILD-JMIUGGIZSA-N 0 0 398.890 5.972 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1 ZINC000100147772 570707093 /nfs/dbraw/zinc/70/70/93/570707093.db2.gz RNGCMSRVMCAIQE-PXLXIMEGSA-N 0 0 386.426 5.211 40 10 GKCBRN O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2)N1c1ccc(F)cc1 ZINC000001046045 570711698 /nfs/dbraw/zinc/71/16/98/570711698.db2.gz MHWGWLVCFMNQGK-XSFVSMFZSA-N 0 0 376.818 5.314 40 10 GKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000005739812 570734510 /nfs/dbraw/zinc/73/45/10/570734510.db2.gz NDWFEYXCVFFONZ-TYILLQQXSA-N 0 0 399.834 5.600 40 10 GKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000005739815 570734536 /nfs/dbraw/zinc/73/45/36/570734536.db2.gz QHTDKILFXGLBJU-BIENJYKASA-N 0 0 389.282 6.345 40 10 GKCBRN Cc1ccc(CN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)cc1 ZINC000005812452 570735853 /nfs/dbraw/zinc/73/58/53/570735853.db2.gz FULBZKJQZMJSJQ-STZFKDTASA-N 0 0 392.524 5.140 40 10 GKCBRN Fc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000006276604 570740785 /nfs/dbraw/zinc/74/07/85/570740785.db2.gz CPUTXUYMMSJFMZ-VKJFTORMSA-N 0 0 391.227 5.257 40 10 GKCBRN CC(C)c1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@@H]32)cc1 ZINC000006347627 570740803 /nfs/dbraw/zinc/74/08/03/570740803.db2.gz FUELTWBSDPRZRS-FTRWYGJKSA-N 0 0 391.864 7.309 40 10 GKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@H]21 ZINC000006951580 570751281 /nfs/dbraw/zinc/75/12/81/570751281.db2.gz BNOQFHQIWBQQOW-JCGVRSQUSA-N 0 0 390.361 5.449 40 10 GKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2)N1c1ccccc1 ZINC000006864079 570752294 /nfs/dbraw/zinc/75/22/94/570752294.db2.gz VWMLAFZTXGMZKW-DEDYPNTBSA-N 0 0 393.273 5.828 40 10 GKCBRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000010113078 570782386 /nfs/dbraw/zinc/78/23/86/570782386.db2.gz HDNKQHUSTAEJMP-MRXNPFEDSA-N 0 0 388.964 5.127 40 10 GKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000111440894 570794494 /nfs/dbraw/zinc/79/44/94/570794494.db2.gz MXYBEMHMIWYYHF-GPMSIDNRSA-N 0 0 399.288 5.801 40 10 GKCBRN Cc1cc(C)c2c(c1)N[C@H](c1cc3c(cc1Br)OCO3)[C@H]1CC=C[C@@H]21 ZINC000013151534 570837208 /nfs/dbraw/zinc/83/72/08/570837208.db2.gz KCONBCAFNVTJDZ-YPENRWOSSA-N 0 0 398.300 5.621 40 10 GKCBRN COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000014165848 570879308 /nfs/dbraw/zinc/87/93/08/570879308.db2.gz QFZRMCUSDMLCHR-BIENJYKASA-N 0 0 386.835 5.092 40 10 GKCBRN CN(C)c1ccc(/C=C/c2nc3ccccc3n2Cc2ccccc2Cl)cc1 ZINC000005235209 570885518 /nfs/dbraw/zinc/88/55/18/570885518.db2.gz CKJWVTXICPTANG-DTQAZKPQSA-N 0 0 387.914 5.974 40 10 GKCBRN O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C/c1ccc(Cl)cc1 ZINC000015277004 570886621 /nfs/dbraw/zinc/88/66/21/570886621.db2.gz KXSARXUCUHIRCA-HMMYKYKNSA-N 0 0 396.943 5.265 40 10 GKCBRN Clc1cccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@H]32)c1Cl ZINC000014477028 570892616 /nfs/dbraw/zinc/89/26/16/570892616.db2.gz YDGZRPPTVBWLSU-YAXFVEMYSA-N 0 0 385.121 7.127 40 10 GKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@H]3C=CC[C@H]32)ccc1Cl ZINC000014470808 570892752 /nfs/dbraw/zinc/89/27/52/570892752.db2.gz SMMHMHFCDJVMAZ-RVPKQNPDSA-N 0 0 395.673 6.382 40 10 GKCBRN O=C1NC(=S)S/C1=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000015055800 570901452 /nfs/dbraw/zinc/90/14/52/570901452.db2.gz ZSMNVCSODZGZFI-NVNXTCNLSA-N 0 0 396.320 5.061 40 10 GKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000015228706 570903923 /nfs/dbraw/zinc/90/39/23/570903923.db2.gz VGNLYIWBQOMYOO-FHSNZYRGSA-N 0 0 391.254 5.737 40 10 GKCBRN CCc1ccccc1NC(C)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000017081694 570915943 /nfs/dbraw/zinc/91/59/43/570915943.db2.gz DFKGFKKHLNBHBU-QJOMJCCJSA-N 0 0 399.469 5.525 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2C)cc1 ZINC000017086125 570916466 /nfs/dbraw/zinc/91/64/66/570916466.db2.gz LNUZSJYLORBLQY-LFVJCYFKSA-N 0 0 382.463 5.380 40 10 GKCBRN CCc1ccc(NC(C)=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000017077992 570917130 /nfs/dbraw/zinc/91/71/30/570917130.db2.gz MPELFAOEHIEOKI-NKFKGCMQSA-N 0 0 381.479 5.386 40 10 GKCBRN CC(Nc1ccc(Cl)cc1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000017079191 570918138 /nfs/dbraw/zinc/91/81/38/570918138.db2.gz MIKYKVMFMOHIQM-PGMHBOJBSA-N 0 0 387.870 5.477 40 10 GKCBRN Cc1nn2c(c1-c1ccc(Br)cc1)N=C(C)C[C@H]2c1ccccc1O ZINC000017080953 570918869 /nfs/dbraw/zinc/91/88/69/570918869.db2.gz GGCLQAVLVUDXQT-KRWDZBQOSA-N 0 0 396.288 5.412 40 10 GKCBRN CC(Nc1cccc(Cl)c1C)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000017081197 570918971 /nfs/dbraw/zinc/91/89/71/570918971.db2.gz UJTZJAKGXZWDHM-PDGQHHTCSA-N 0 0 396.903 5.367 40 10 GKCBRN Cc1nn2c(c1-c1ccc(Br)cc1)N=C(C)C[C@@H]2c1ccccc1O ZINC000017080952 570919018 /nfs/dbraw/zinc/91/90/18/570919018.db2.gz GGCLQAVLVUDXQT-QGZVFWFLSA-N 0 0 396.288 5.412 40 10 GKCBRN Cc1cc(O)c(C(C)C)cc1NC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000017920044 570949608 /nfs/dbraw/zinc/94/96/08/570949608.db2.gz BCGKTNCVFPVWCG-CYYJNZCTSA-N 0 0 388.471 6.883 40 10 GKCBRN COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000222370954 570950342 /nfs/dbraw/zinc/95/03/42/570950342.db2.gz QFZRMCUSDMLCHR-LPMFXHHGSA-N 0 0 386.835 5.092 40 10 GKCBRN Cc1nn(C(=O)c2ccncc2)c(C)c1/N=N/c1ccc(-c2ccc(N)cc2)cc1 ZINC000018193266 570951029 /nfs/dbraw/zinc/95/10/29/570951029.db2.gz YIDXSVDWBPFDOZ-CYYJNZCTSA-N 0 0 396.454 5.248 40 10 GKCBRN O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000226692382 570954192 /nfs/dbraw/zinc/95/41/92/570954192.db2.gz KXIBJNJUWNIKEK-BWACUDIHSA-N 0 0 395.673 6.382 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21 ZINC000226646667 570954205 /nfs/dbraw/zinc/95/42/05/570954205.db2.gz GUBQCAVHIQCXKZ-GPMSIDNRSA-N 0 0 385.261 5.492 40 10 GKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@@H]32)ccc1Cl ZINC000226738125 570954327 /nfs/dbraw/zinc/95/43/27/570954327.db2.gz KDEQQNBNIMQUJN-WWMYMODYSA-N 0 0 376.843 6.228 40 10 GKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)ccc1Cl ZINC000226736303 570954383 /nfs/dbraw/zinc/95/43/83/570954383.db2.gz HEKIMLAXVIHDQZ-RLFDGXBXSA-N 0 0 395.673 6.382 40 10 GKCBRN CCOc1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc31)[C@H]1CC=C[C@@H]21 ZINC000226908059 570954881 /nfs/dbraw/zinc/95/48/81/570954881.db2.gz CIWSBEASXMMVLX-SNUWEPMUSA-N 0 0 391.514 7.218 40 10 GKCBRN CCOc1ccc([C@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226875557 570954885 /nfs/dbraw/zinc/95/48/85/570954885.db2.gz KMCYKVPMQRKYAF-BIENJYKASA-N 0 0 394.729 6.872 40 10 GKCBRN Clc1cccc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)c1Cl ZINC000004045308 570965969 /nfs/dbraw/zinc/96/59/69/570965969.db2.gz VIBNAEAIBCWWRI-IUUKEHGRSA-N 0 0 395.127 6.582 40 10 GKCBRN FC(F)(F)c1ccccc1[C@H]1Nc2cc(Cl)cc(Cl)c2[C@H]2C=CC[C@H]21 ZINC000004689685 570989996 /nfs/dbraw/zinc/98/99/96/570989996.db2.gz RMSFNPMEZBGVFQ-IUUKEHGRSA-N 0 0 384.228 6.839 40 10 GKCBRN COc1ccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2O)cc1Cl ZINC000096298891 570998861 /nfs/dbraw/zinc/99/88/61/570998861.db2.gz SULWNGCVTLCHBS-FQEVSTJZSA-N 0 0 391.858 5.199 40 10 GKCBRN Cc1ccc(Cl)c2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000008371327 230863027 /nfs/dbraw/zinc/86/30/27/230863027.db2.gz UFSZKAXNJUVHQW-XEKQOVJPSA-N 0 0 375.255 6.037 40 10 GKCBRN CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1/C(=O)N(c2ccccc2)N=C1C ZINC000408905047 529385985 /nfs/dbraw/zinc/38/59/85/529385985.db2.gz SLSSMSYEOKDCCC-FIOICXDGSA-N 0 0 384.479 5.823 40 10 GKCBRN CC[C@@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2cccc(C)c2)C1=O ZINC000409327773 529387620 /nfs/dbraw/zinc/38/76/20/529387620.db2.gz MSHFDWWZABJABQ-JPVKTXQWSA-N 0 0 383.538 5.578 40 10 GKCBRN CC[C@@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2ccccc2F)C1=O ZINC000409329068 529387844 /nfs/dbraw/zinc/38/78/44/529387844.db2.gz CNYZRNLHWRORQT-FDIDITGRSA-N 0 0 387.501 5.409 40 10 GKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000111441269 231021353 /nfs/dbraw/zinc/02/13/53/231021353.db2.gz NDWFEYXCVFFONZ-LPMFXHHGSA-N 0 0 399.834 5.600 40 10 GKCBRN O=C1NC(=S)S/C1=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000408531088 231051574 /nfs/dbraw/zinc/05/15/74/231051574.db2.gz NZKWLMPEOLSDRY-NVNXTCNLSA-N 0 0 396.320 5.061 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(C)C)SC2=S)cc1 ZINC000408600483 231074906 /nfs/dbraw/zinc/07/49/06/231074906.db2.gz ZSCJCMNGVYCFAV-UNOMPAQXSA-N 0 0 383.538 5.436 40 10 GKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1N1CCCCC1 ZINC000408902115 231126624 /nfs/dbraw/zinc/12/66/24/231126624.db2.gz KHLQHOLVZBDZSV-HMMYKYKNSA-N 0 0 394.565 5.391 40 10 GKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1N1CCCC1 ZINC000408903090 231127021 /nfs/dbraw/zinc/12/70/21/231127021.db2.gz UKXVYHSKNZWEEA-XMHGGMMESA-N 0 0 380.538 5.001 40 10 GKCBRN Cc1cc(-c2nc(=O)c3c(C)c(C)sc3[nH]2)c(C)n1-c1cccc(C)c1C ZINC000408734132 231107381 /nfs/dbraw/zinc/10/73/81/231107381.db2.gz DIZAWKAGRHKIGP-UHFFFAOYSA-N 0 0 377.513 5.705 40 10 GKCBRN Cc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)c(C)n1-c1ccc(Cl)cc1 ZINC000408734800 231107490 /nfs/dbraw/zinc/10/74/90/231107490.db2.gz JZBOZAGRGJKRIY-UHFFFAOYSA-N 0 0 383.904 5.742 40 10 GKCBRN FC(F)(F)c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000408736924 231108568 /nfs/dbraw/zinc/10/85/68/231108568.db2.gz CZEGYRJBIDZRTI-KEYYUXOJSA-N 0 0 394.234 6.294 40 10 GKCBRN COc1ccc(C)c2c1N[C@@H](c1c3ccccc3cc3ccccc31)[C@H]1CC=C[C@@H]21 ZINC000408737128 231108708 /nfs/dbraw/zinc/10/87/08/231108708.db2.gz KKFSWWWGPDQTOF-QSEAXJEQSA-N 0 0 391.514 7.137 40 10 GKCBRN COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c4c(cccc41)CC3)N2 ZINC000408737130 231108754 /nfs/dbraw/zinc/10/87/54/231108754.db2.gz KLALEPOJOJMIPE-KNOQFWTLSA-N 0 0 383.491 5.782 40 10 GKCBRN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000408739353 231109207 /nfs/dbraw/zinc/10/92/07/231109207.db2.gz VUGKKQYHCFIVLA-XMHGGMMESA-N 0 0 387.866 5.820 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)c1 ZINC000408739676 231109641 /nfs/dbraw/zinc/10/96/41/231109641.db2.gz ZEJKGVZIWISLOQ-HMMYKYKNSA-N 0 0 382.419 5.375 40 10 GKCBRN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408739225 231109930 /nfs/dbraw/zinc/10/99/30/231109930.db2.gz UJICPEYGYNKZAQ-XMHGGMMESA-N 0 0 398.418 5.075 40 10 GKCBRN Cc1ccc(C2=C/C(=C\c3ccc(OCc4ccccc4F)cc3)C(=O)O2)cc1 ZINC000408744741 231110466 /nfs/dbraw/zinc/11/04/66/231110466.db2.gz ZQRUJTDVVPCYQK-KGENOOAVSA-N 0 0 386.422 5.694 40 10 GKCBRN COc1cccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccccc3)C2=O)c1 ZINC000408754314 231112073 /nfs/dbraw/zinc/11/20/73/231112073.db2.gz MMVUGONVUXHBBX-RCCKNPSSSA-N 0 0 388.854 5.183 40 10 GKCBRN Cc1ccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)N2c2ccccc2)cc1 ZINC000408764110 231112385 /nfs/dbraw/zinc/11/23/85/231112385.db2.gz WDINEVVSIQYMBS-XIEYBQDHSA-N 0 0 388.470 5.983 40 10 GKCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccc(Cl)cc2)N1c1ccccc1 ZINC000408765801 231112402 /nfs/dbraw/zinc/11/24/02/231112402.db2.gz ZZVKEAIAOMIQRU-XSFVSMFZSA-N 0 0 376.818 5.314 40 10 GKCBRN COc1cccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccccc3)C2=O)c1 ZINC000408765194 231112437 /nfs/dbraw/zinc/11/24/37/231112437.db2.gz ZYAQBZOVEFQEER-RCCKNPSSSA-N 0 0 388.854 5.183 40 10 GKCBRN Cc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cccc(C)c2)cc1 ZINC000408767388 231112609 /nfs/dbraw/zinc/11/26/09/231112609.db2.gz WOVCOQPTVMTYFY-PXLXIMEGSA-N 0 0 397.434 5.046 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccc(Cl)cc2)cc1 ZINC000408765082 231112760 /nfs/dbraw/zinc/11/27/60/231112760.db2.gz ZFDIEULXIVLQOO-KGENOOAVSA-N 0 0 390.845 5.622 40 10 GKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408769348 231113536 /nfs/dbraw/zinc/11/35/36/231113536.db2.gz RSYHPQLMZPZXSF-RCCKNPSSSA-N 0 0 396.446 5.683 40 10 GKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cccc(C)c2)cc1 ZINC000408778512 231114199 /nfs/dbraw/zinc/11/41/99/231114199.db2.gz VROYDKHBBLIGBP-RCCKNPSSSA-N 0 0 396.446 5.683 40 10 GKCBRN CCn1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2ccccc21 ZINC000408972369 231138895 /nfs/dbraw/zinc/13/88/95/231138895.db2.gz SGXDLQNWLKEJEN-ATVHPVEESA-N 0 0 383.373 5.010 40 10 GKCBRN Cc1ccc(C2=C/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)O2)cc1C ZINC000409055616 231152459 /nfs/dbraw/zinc/15/24/59/231152459.db2.gz ZYICKJHZHMHUJP-HZHRSRAPSA-N 0 0 382.459 5.864 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)c(C)c1 ZINC000408987312 231141892 /nfs/dbraw/zinc/14/18/92/231141892.db2.gz WFNIDMKADOZQDJ-RCCKNPSSSA-N 0 0 385.894 6.428 40 10 GKCBRN O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1C1CCCCC1 ZINC000408987833 231142262 /nfs/dbraw/zinc/14/22/62/231142262.db2.gz YVXYAQAZPVDNFU-QGOAFFKASA-N 0 0 398.333 6.593 40 10 GKCBRN COc1ccc(CCCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1C ZINC000409004955 231145641 /nfs/dbraw/zinc/14/56/41/231145641.db2.gz YMXZMEKQAWLRKV-CYYJNZCTSA-N 0 0 387.483 6.380 40 10 GKCBRN Cc1c(/C=C2/C(=O)N(c3cc(F)c(F)cc3F)N=C2C)c2cc(C)ccc2n1C ZINC000409036129 231149223 /nfs/dbraw/zinc/14/92/23/231149223.db2.gz KVHFLPAKOCDHQV-RIYZIHGNSA-N 0 0 397.400 5.019 40 10 GKCBRN COc1ccc(/C=C2\C=C(c3ccc(C)cc3C)OC2=O)cc1Br ZINC000409055288 231152291 /nfs/dbraw/zinc/15/22/91/231152291.db2.gz YITMRNKPOODEHX-OQLLNIDSSA-N 0 0 385.257 5.056 40 10 GKCBRN Cc1cc(/C=C2\C(=O)Nc3ccccc32)c(C)n1-c1ccc(Br)cc1 ZINC000409122066 231167404 /nfs/dbraw/zinc/16/74/04/231167404.db2.gz XATMGVFKOXOONT-UNOMPAQXSA-N 0 0 393.284 5.349 40 10 GKCBRN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000409164568 231173705 /nfs/dbraw/zinc/17/37/05/231173705.db2.gz KIBSCRHPFYARPR-GPHJXTMHSA-N 0 0 395.673 6.382 40 10 GKCBRN Cc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)n1C1CCCC1 ZINC000409138592 231169717 /nfs/dbraw/zinc/16/97/17/231169717.db2.gz FDTAOPKEQKAAIL-WQRHYEAKSA-N 0 0 386.542 5.214 40 10 GKCBRN O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(Cl)ccc(C(F)(F)F)c2[C@@H]2C=CC[C@@H]21 ZINC000409164121 231173619 /nfs/dbraw/zinc/17/36/19/231173619.db2.gz CPPONOQRCDEHNP-VGTOOOLASA-N 0 0 394.780 6.094 40 10 GKCBRN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000409152745 231171695 /nfs/dbraw/zinc/17/16/95/231171695.db2.gz LELLONBEKDZMKY-AGKHESDQSA-N 0 0 395.673 6.382 40 10 GKCBRN Cc1cccc(COc2ccccc2C[C@@H]2SC(=S)N(CC(C)C)C2=O)c1 ZINC000409149396 231171727 /nfs/dbraw/zinc/17/17/27/231171727.db2.gz FBDQXNFHGMHSOH-FQEVSTJZSA-N 0 0 399.581 5.001 40 10 GKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21 ZINC000409154368 231171991 /nfs/dbraw/zinc/17/19/91/231171991.db2.gz NULAAWGHFMHKRG-SOZUMNATSA-N 0 0 390.361 5.449 40 10 GKCBRN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc31)N2 ZINC000409157272 231173092 /nfs/dbraw/zinc/17/30/92/231173092.db2.gz UUOPGXNZYVTKLT-HGHGUNKESA-N 0 0 376.843 6.228 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2 ZINC000409162914 231173761 /nfs/dbraw/zinc/17/37/61/231173761.db2.gz JMUHBTNZXTUVBN-RKVPGOIHSA-N 0 0 394.234 6.294 40 10 GKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000409167650 231173817 /nfs/dbraw/zinc/17/38/17/231173817.db2.gz JLNSVSBKKYUGHT-LPMFXHHGSA-N 0 0 388.389 6.057 40 10 GKCBRN FC(F)(F)c1cccc2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@@H]21 ZINC000409168200 231173820 /nfs/dbraw/zinc/17/38/20/231173820.db2.gz LDMBLIREIPVSPR-QFSBIZTOSA-N 0 0 394.234 6.294 40 10 GKCBRN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000409166182 231173838 /nfs/dbraw/zinc/17/38/38/231173838.db2.gz COILFAZAZNXSQG-RLFDGXBXSA-N 0 0 395.673 6.382 40 10 GKCBRN O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(Cl)ccc(C(F)(F)F)c2[C@H]2C=CC[C@H]21 ZINC000409164122 231174067 /nfs/dbraw/zinc/17/40/67/231174067.db2.gz CPPONOQRCDEHNP-WVQJBOLRSA-N 0 0 394.780 6.094 40 10 GKCBRN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000409173509 231174810 /nfs/dbraw/zinc/17/48/10/231174810.db2.gz IZOJIWFHEHYUQI-QFSBIZTOSA-N 0 0 394.780 6.094 40 10 GKCBRN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000409173507 231174854 /nfs/dbraw/zinc/17/48/54/231174854.db2.gz IZOJIWFHEHYUQI-PEBVRCNWSA-N 0 0 394.780 6.094 40 10 GKCBRN CCOc1ccccc1/C=C1/SC(=S)N(c2cccc(SC)c2)C1=O ZINC000409326711 231190243 /nfs/dbraw/zinc/19/02/43/231190243.db2.gz DTFAXYFHLABEOB-GZTJUZNOSA-N 0 0 387.551 5.213 40 10 GKCBRN O=C1/C(=C/c2ccc(O)c(Cl)c2)SC(=S)N1c1cccc2ccccc21 ZINC000409331754 231190505 /nfs/dbraw/zinc/19/05/05/231190505.db2.gz OVIYYWCGEOIAJR-WQRHYEAKSA-N 0 0 397.908 5.605 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C/c3cn(C(C)C)c4ccccc34)SC2=S)cc1 ZINC000409329769 231190846 /nfs/dbraw/zinc/19/08/46/231190846.db2.gz HVMACDPUUOCANL-NDENLUEZSA-N 0 0 392.549 5.936 40 10 GKCBRN CSc1cccc(N2C(=O)/C(=C\c3ccc(O)c(Cl)c3)SC2=S)c1 ZINC000409333420 231191099 /nfs/dbraw/zinc/19/10/99/231191099.db2.gz SIIMMCSYZVWBSD-OVCLIPMQSA-N 0 0 393.942 5.173 40 10 GKCBRN CSc1cccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)c1 ZINC000409332794 231191221 /nfs/dbraw/zinc/19/12/21/231191221.db2.gz RGTHBOYPUBGEKS-WOJGMQOQSA-N 0 0 385.579 5.938 40 10 GKCBRN CSc1cccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)c1 ZINC000409338344 231191795 /nfs/dbraw/zinc/19/17/95/231191795.db2.gz IEOBBNQAGBVZBO-RQZCQDPDSA-N 0 0 382.535 5.296 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)SC2=S)cc1 ZINC000409339531 231192103 /nfs/dbraw/zinc/19/21/03/231192103.db2.gz JRCFXFHBGFFQMT-RGEXLXHISA-N 0 0 380.538 5.001 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)SC2=S)cc1 ZINC000409341427 231192551 /nfs/dbraw/zinc/19/25/51/231192551.db2.gz AOYXRXYZMNMAFY-XNTDXEJSSA-N 0 0 379.428 5.420 40 10 GKCBRN CCn1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000409344327 231192624 /nfs/dbraw/zinc/19/26/24/231192624.db2.gz IPWDHBXCBCDTDZ-WOJGMQOQSA-N 0 0 382.485 5.206 40 10 GKCBRN CSc1cccc(N2C(=O)/C(=C/c3c(F)cccc3Cl)SC2=S)c1 ZINC000409345495 231193526 /nfs/dbraw/zinc/19/35/26/231193526.db2.gz IXANMNGSRLGHOV-DHDCSXOGSA-N 0 0 395.933 5.607 40 10 GKCBRN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2)N1CCCCC1 ZINC000409381619 231198174 /nfs/dbraw/zinc/19/81/74/231198174.db2.gz UZIIACNQCVQSNC-VIZSFHNOSA-N 0 0 392.930 5.793 40 10 GKCBRN CCn1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc21 ZINC000409352729 231194696 /nfs/dbraw/zinc/19/46/96/231194696.db2.gz YIORSAGSYIEUED-UDWIEESQSA-N 0 0 392.549 5.684 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C\c3cccc(C(F)(F)F)c3)SC2=S)cc1C ZINC000409350012 231194721 /nfs/dbraw/zinc/19/47/21/231194721.db2.gz WTVDTQXBHOVEJU-MHWRWJLKSA-N 0 0 393.455 5.728 40 10 GKCBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O ZINC000409350880 231195034 /nfs/dbraw/zinc/19/50/34/231195034.db2.gz ZALQZVWNNGZWSB-UNOMPAQXSA-N 0 0 398.528 5.140 40 10 GKCBRN CCc1ccc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)C(C)=C2C(=O)OC)cc1 ZINC000409057859 529584817 /nfs/dbraw/zinc/58/48/17/529584817.db2.gz WVWZSQOEMKVFKB-UNOMPAQXSA-N 0 0 395.886 5.088 40 10 GKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)cc1 ZINC000408737588 529662043 /nfs/dbraw/zinc/66/20/43/529662043.db2.gz FGAFPVIYMVHECF-LTGZKZEYSA-N 0 0 385.894 6.374 40 10 GKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1 ZINC000408739089 529662506 /nfs/dbraw/zinc/66/25/06/529662506.db2.gz SXQOMHGCGOVLSB-LTGZKZEYSA-N 0 0 396.446 5.629 40 10 GKCBRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)C1=O ZINC000409013642 529695603 /nfs/dbraw/zinc/69/56/03/529695603.db2.gz NDFUBWUOJNBKPN-DORSJAEJSA-N 0 0 396.556 5.854 40 10 GKCBRN CC[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O ZINC000409013136 529695756 /nfs/dbraw/zinc/69/57/56/529695756.db2.gz SYMMZVKIIRCFMR-SJWFJVLYSA-N 0 0 388.920 5.582 40 10 GKCBRN CCc1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@H]32)cc1 ZINC000409165470 529718247 /nfs/dbraw/zinc/71/82/47/529718247.db2.gz YNEAEHXZBKBPPL-LPMFXHHGSA-N 0 0 378.730 7.036 40 10 GKCBRN O=[N+]([O-])c1ccc(N=NNc2ccc(N=Nc3ccccc3)cc2)c2ccccc21 ZINC000018206063 210217106 /nfs/dbraw/zinc/21/71/06/210217106.db2.gz XXHDVJVLFBXOGN-WCWDXBQESA-N 0 0 396.410 7.274 40 10 GKCBRN CN1C(=O)/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)SC1=S ZINC000409340411 530039637 /nfs/dbraw/zinc/03/96/37/530039637.db2.gz WQILQWMFIGKWKY-DEDYPNTBSA-N 0 0 391.517 5.250 40 10 GKCBRN CN1C(=O)C(=CC2=CC(=NNc3ccccc3Cl)C=CC2=O)SC1=S ZINC000408727349 530039729 /nfs/dbraw/zinc/03/97/29/530039729.db2.gz VZQMYSYVCYGIER-CIGHJNMPSA-N 0 0 389.889 5.292 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)cc3)SC2=S)c1 ZINC000009188475 209814818 /nfs/dbraw/zinc/81/48/18/209814818.db2.gz STOBILULMLFZGR-QNGOZBTKSA-N 0 0 387.529 6.068 40 10 GKCBRN Cc1ccc(COc2cccc(/C=C3\SC(=S)N(C(C)(C)C)C3=O)c2)cc1 ZINC000005371435 209589319 /nfs/dbraw/zinc/58/93/19/209589319.db2.gz ZYJIUSFHWSLOFH-UYRXBGFRSA-N 0 0 397.565 5.574 40 10 GKCBRN Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 ZINC000000847292 209272391 /nfs/dbraw/zinc/27/23/91/209272391.db2.gz DBCQRZTZYFFHEG-QHRIQVFBSA-N 0 0 375.255 6.037 40 10 GKCBRN COc1ccccc1NC(=O)c1c(NCc2cccc(F)c2)sc2c1CCC2 ZINC000000920837 212194958 /nfs/dbraw/zinc/19/49/58/212194958.db2.gz QZRNTQQSHZEEPM-UHFFFAOYSA-N 0 0 396.487 5.249 40 10 GKCBRN CC(=Cc1ccccc1)C=C1SC(Nc2cccc(Br)c2)=NC1=O ZINC000032701803 209179533 /nfs/dbraw/zinc/17/95/33/209179533.db2.gz VSXFIECANWKPBU-YAXRHUFXSA-N 0 0 399.313 5.478 40 10 GKCBRN C[C@H]1CCCCN1c1ccc(CNc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000226242009 203791325 /nfs/dbraw/zinc/79/13/25/203791325.db2.gz PGXMUWVPIYSSHS-KRWDZBQOSA-N 0 0 375.472 5.739 40 10 GKCBRN Clc1cccc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)c1Cl ZINC000004045313 204025263 /nfs/dbraw/zinc/02/52/63/204025263.db2.gz VIBNAEAIBCWWRI-PZROIBLQSA-N 0 0 395.127 6.582 40 10 GKCBRN Cc1ccccc1NC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21 ZINC000004181998 204032215 /nfs/dbraw/zinc/03/22/15/204032215.db2.gz XWTWCLAEJRUAPM-QCFAMHMHSA-N 0 0 382.507 5.400 40 10 GKCBRN COC(=O)c1ccc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000004455942 204046064 /nfs/dbraw/zinc/04/60/64/204046064.db2.gz MAPLJDVVHBOMAU-FRQCXROJSA-N 0 0 384.273 5.062 40 10 GKCBRN CCOc1c(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)cccc1OC ZINC000005371043 204128106 /nfs/dbraw/zinc/12/81/06/204128106.db2.gz COAZDWLOCNYSNB-QFGUUYLXSA-N 0 0 399.537 5.056 40 10 GKCBRN O=C1N=C(Nc2cc(Cl)ccc2Cl)SC1=Cc1c[nH]c2ccccc12 ZINC000005374487 204129650 /nfs/dbraw/zinc/12/96/50/204129650.db2.gz CMEWQEQDTFBKHA-APSNUPSMSA-N 0 0 388.279 5.557 40 10 GKCBRN COc1ccc(N2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)c(OC)c1 ZINC000005372204 204129745 /nfs/dbraw/zinc/12/97/45/204129745.db2.gz UMVUGWFEQBKOQA-JKLBGJETSA-N 0 0 397.521 5.056 40 10 GKCBRN Cc1ccc(-c2csc(=Nc3ccc(Cl)cc3)n2Cc2ccccc2)cc1 ZINC000005617935 204142390 /nfs/dbraw/zinc/14/23/90/204142390.db2.gz IGWMIVKHOCNQJB-UHFFFAOYSA-O 0 0 391.947 6.456 40 10 GKCBRN C[C@@H](c1ccccc1)N1C(=O)C(=Cc2c[nH]nc2-c2ccccc2)SC1=S ZINC000006413100 204177211 /nfs/dbraw/zinc/17/72/11/204177211.db2.gz YWEKGNWETMHRGN-QCUKBLKESA-N 0 0 391.521 5.039 40 10 GKCBRN CCCN(CCC)c1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc1 ZINC000008036117 204259503 /nfs/dbraw/zinc/25/95/03/204259503.db2.gz QDTOBYWXFIHMOE-PGMHBOJBSA-N 0 0 378.541 5.683 40 10 GKCBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S ZINC000009188686 204301675 /nfs/dbraw/zinc/30/16/75/204301675.db2.gz XHHSGAFJCITVRY-NOMGLIDZSA-N 0 0 381.566 5.947 40 10 GKCBRN COc1cccc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000009188614 204301863 /nfs/dbraw/zinc/30/18/63/204301863.db2.gz YTGYSZSOFSYGLY-SXGWCWSVSA-N 0 0 375.902 5.063 40 10 GKCBRN C[C@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225667655 211914246 /nfs/dbraw/zinc/91/42/46/211914246.db2.gz NSUBMWXBTUCCKX-CVEARBPZSA-N 0 0 387.980 5.624 40 10 GKCBRN O=C1c2ccccc2C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC000299888426 205129564 /nfs/dbraw/zinc/12/95/64/205129564.db2.gz IYVCOWSPRAHZSW-UHFFFAOYSA-N 0 0 388.339 5.930 40 10 GKCBRN COc1ccc(C)cc1N[C@H](c1ccccc1)c1ccc2ccc(C)nc2c1O ZINC000054621610 205139175 /nfs/dbraw/zinc/13/91/75/205139175.db2.gz CULORMIVCSTWFO-HSZRJFAPSA-N 0 0 384.479 5.767 40 10 GKCBRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000223535174 211834567 /nfs/dbraw/zinc/83/45/67/211834567.db2.gz AJIQXEMEZWCOEW-FQEVSTJZSA-N 0 0 390.980 5.373 40 10 GKCBRN CCN(CC)c1ccc(CNC(=O)CCc2ccc(Cl)cc2Cl)cc1 ZINC000225381893 206043986 /nfs/dbraw/zinc/04/39/86/206043986.db2.gz GFONOTFMXJMOKY-UHFFFAOYSA-N 0 0 379.331 5.089 40 10 GKCBRN C[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225632853 206062335 /nfs/dbraw/zinc/06/23/35/206062335.db2.gz LBMFPNNLHDUQRU-RTBURBONSA-N 0 0 376.544 5.293 40 10 GKCBRN Cc1cc(C)cc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000225653836 206063689 /nfs/dbraw/zinc/06/36/89/206063689.db2.gz MQCZWJJQBGLERC-LJQANCHMSA-N 0 0 381.589 5.587 40 10 GKCBRN CCc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000225654560 206063695 /nfs/dbraw/zinc/06/36/95/206063695.db2.gz OGRDNRVIRKLZKP-SFHVURJKSA-N 0 0 381.589 5.533 40 10 GKCBRN C[C@H](NC(=S)Nc1ccccc1Cl)c1ccc(N2CCC(C)CC2)cc1 ZINC000225654001 206064211 /nfs/dbraw/zinc/06/42/11/206064211.db2.gz ZUYZIUIDIGIFSQ-INIZCTEOSA-N 0 0 387.980 5.624 40 10 GKCBRN Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c(C)c1 ZINC000225653686 206064318 /nfs/dbraw/zinc/06/43/18/206064318.db2.gz SPWVZVYSKNGTJX-IBGZPJMESA-N 0 0 381.589 5.587 40 10 GKCBRN C[C@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(N2CCCCC2)cc1 ZINC000225664382 206064772 /nfs/dbraw/zinc/06/47/72/206064772.db2.gz VCFDPKSFXSUJLA-AWEZNQCLSA-N 0 0 391.943 5.517 40 10 GKCBRN C[C@@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCCC2)cc1 ZINC000225694334 206068025 /nfs/dbraw/zinc/06/80/25/206068025.db2.gz AGWWSMHEZBXMTB-CQSZACIVSA-N 0 0 393.478 5.353 40 10 GKCBRN COc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000013389221 211699444 /nfs/dbraw/zinc/69/94/44/211699444.db2.gz ZVEKCJLWAYVIIO-VFVRVIDISA-N 0 0 391.254 5.737 40 10 GKCBRN CC(=Cc1ccccc1)C=C1SC(Nc2cccc(Cl)c2Cl)=NC1=O ZINC000001754034 206210145 /nfs/dbraw/zinc/21/01/45/206210145.db2.gz TZMNEYHQUPRDSV-LXLJVHJPSA-N 0 0 389.307 6.022 40 10 GKCBRN CN1C(=O)/C(=C/c2ccccc2OCc2cccc3ccccc32)SC1=S ZINC000001197933 206212097 /nfs/dbraw/zinc/21/20/97/206212097.db2.gz YFIHEWGRSFLFHF-MOSHPQCFSA-N 0 0 391.517 5.250 40 10 GKCBRN CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1 ZINC000034860820 206317233 /nfs/dbraw/zinc/31/72/33/206317233.db2.gz OJVCTFYBWOSRIL-XMHGGMMESA-N 0 0 383.538 5.580 40 10 GKCBRN Cc1ccccc1/N=N\c1ccc(/N=N/c2c(N)ccc3ccccc32)c(C)c1 ZINC000104389491 211434318 /nfs/dbraw/zinc/43/43/18/211434318.db2.gz RFBJKPNUSZNPEU-KVZOUHTRSA-N 0 0 379.467 7.870 40 10 GKCBRN CN(CN(C)/N=N/c1ccc(Cl)cc1)CN(C)/N=N/c1ccc(Cl)cc1 ZINC000031772095 207384983 /nfs/dbraw/zinc/38/49/83/207384983.db2.gz YAFJYBHJRNDZQY-DQPVQCHKSA-N 0 0 394.310 5.401 40 10 GKCBRN Cc1ccc(/N=N\c2ccc(C)cc2NC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000100138613 208372210 /nfs/dbraw/zinc/37/22/10/208372210.db2.gz YLPJHDOEESRGEA-RQZHXJHFSA-N 0 0 392.890 7.325 40 10 GKCBRN CCCCCOc1ccc(C(=O)Oc2ccc(/N=N\c3nccs3)cc2)cc1 ZINC000104265297 208430610 /nfs/dbraw/zinc/43/06/10/208430610.db2.gz XHATUQLIMYFAQU-VHXPQNKSSA-N 0 0 395.484 6.347 40 10 GKCBRN COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(C)C)cc2[C@@H]2C=CC[C@H]21 ZINC000004959585 208547212 /nfs/dbraw/zinc/54/72/12/208547212.db2.gz NUPLFLFMYLNIBI-DRSNIGMVSA-N 0 0 398.344 6.408 40 10 GKCBRN COc1cc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC ZINC000408828542 533124022 /nfs/dbraw/zinc/12/40/22/533124022.db2.gz HQOYXIBZOAVSAW-RFUYNDQBSA-N 0 0 386.289 5.293 40 10 GKCBRN COc1ccc([C@H]2Nc3c(OC)ccc(Cl)c3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000001461866 220497232 /nfs/dbraw/zinc/49/72/32/220497232.db2.gz LOMHKTSXDZGTJT-WTOJCKNJSA-N 0 0 386.835 5.092 40 10 GKCBRN CCc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000225654591 208964660 /nfs/dbraw/zinc/96/46/60/208964660.db2.gz OGRDNRVIRKLZKP-GOSISDBHSA-N 0 0 381.589 5.533 40 10 GKCBRN Cc1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000225667293 208966465 /nfs/dbraw/zinc/96/64/65/208966465.db2.gz ASQUZCQAVPNGBE-MJGOQNOKSA-N 0 0 381.589 5.587 40 10 GKCBRN CC(C)Oc1cccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000225691911 208967253 /nfs/dbraw/zinc/96/72/53/208967253.db2.gz XGXQKMVUSKQQAO-GOSISDBHSA-N 0 0 397.588 5.197 40 10 GKCBRN O=C(c1ccccc1)c1ccccc1/N=N/c1ccccc1C(=O)c1ccccc1 ZINC000003844647 220666828 /nfs/dbraw/zinc/66/68/28/220666828.db2.gz KQYIIVDYYMEKDX-BYYHNAKLSA-N 0 0 390.442 6.564 40 10 GKCBRN COc1cc(OC)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000004959533 220800155 /nfs/dbraw/zinc/80/01/55/220800155.db2.gz QFZRMCUSDMLCHR-NJSLBKSFSA-N 0 0 386.835 5.092 40 10 GKCBRN Fc1cccc2c1N[C@H](c1cc3c(cc1Br)OCO3)[C@H]1CC=C[C@H]21 ZINC000004975286 220803475 /nfs/dbraw/zinc/80/34/75/220803475.db2.gz UMFNBCQCUZSNDE-FHGNATFXSA-N 0 0 388.236 5.143 40 10 GKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3ccc(O)c(OC)c3)SC2=S)cc1 ZINC000005372016 220862816 /nfs/dbraw/zinc/86/28/16/220862816.db2.gz VVYOLCILVLBCDZ-UYRXBGFRSA-N 0 0 399.537 5.149 40 10 GKCBRN CC(C)(C)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S ZINC000005371483 220862889 /nfs/dbraw/zinc/86/28/89/220862889.db2.gz VXPZPGKFQPYYQP-XNTDXEJSSA-N 0 0 377.918 5.600 40 10 GKCBRN O=C(CSc1ncnc2ccccc21)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000005505214 220878369 /nfs/dbraw/zinc/87/83/69/220878369.db2.gz NWQWSEZKFAWOIB-CYYJNZCTSA-N 0 0 399.479 5.776 40 10 GKCBRN COc1ccc(-n2c(C)ccc2-c2ccc(Br)cc2)cc1Cl ZINC000408967746 533209915 /nfs/dbraw/zinc/20/99/15/533209915.db2.gz UKBDPCKKNQXRSZ-UHFFFAOYSA-N 0 0 376.681 5.877 40 10 GKCBRN COc1ccc(-n2c(-c3ccccc3)cc3c2CC(C)(C)CC3=O)c(OC)c1 ZINC000408721035 533209988 /nfs/dbraw/zinc/20/99/88/533209988.db2.gz INOMGWMSCWHCKK-UHFFFAOYSA-N 0 0 375.468 5.317 40 10 GKCBRN O=C1N=C(Nc2cccc3ccccc32)SC1=Cc1ccc(Cl)cc1Cl ZINC000008436641 221042532 /nfs/dbraw/zinc/04/25/32/221042532.db2.gz VSNMDMNTVOPYJH-ZDLGFXPLSA-N 0 0 399.302 6.229 40 10 GKCBRN CCN(CC)c1ccc(/C=C\c2cc(-c3ccccc3)c3ccccc3n2)cc1 ZINC000008581460 221044661 /nfs/dbraw/zinc/04/46/61/221044661.db2.gz KJIXCLVBIUJCHU-VKAVYKQESA-N 0 0 378.519 6.918 40 10 GKCBRN Cc1ccc(CN2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)SC2=S)cc1 ZINC000009295640 221076792 /nfs/dbraw/zinc/07/67/92/221076792.db2.gz VQFZPHIHVIDAJD-MHWRWJLKSA-N 0 0 393.455 5.415 40 10 GKCBRN Oc1c([C@@H](Nc2nc3ccccc3s2)c2ccccc2)ccc2cccnc21 ZINC000013236156 221264367 /nfs/dbraw/zinc/26/43/67/221264367.db2.gz RVEAMUTXPUACCQ-FQEVSTJZSA-N 0 0 383.476 5.752 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000016160935 221358835 /nfs/dbraw/zinc/35/88/35/221358835.db2.gz OKJUXLUYSURGBI-ATVHPVEESA-N 0 0 397.261 6.060 40 10 GKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000016678469 221367908 /nfs/dbraw/zinc/36/79/08/221367908.db2.gz OSNRKGQGNWGJOG-ZHZULCJRSA-N 0 0 396.581 5.243 40 10 GKCBRN COc1ccc(/N=N/c2ccc3oc(=O)c(C(=O)Nc4ccccc4)cc3c2)cc1 ZINC000017224309 221382213 /nfs/dbraw/zinc/38/22/13/221382213.db2.gz HPLQFFDDUBHGMA-OCEACIFDSA-N 0 0 399.406 5.469 40 10 GKCBRN COc1cc(-c2ccc(NN=C3C=CC(=O)c4ccccc43)c(OC)c2)ccc1N ZINC000018067326 221386021 /nfs/dbraw/zinc/38/60/21/221386021.db2.gz CTHBDVZLFMWMNV-CYYJNZCTSA-N 0 0 399.450 6.227 40 10 GKCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000409022853 533266552 /nfs/dbraw/zinc/26/65/52/533266552.db2.gz UYHQFULYBWGKGD-HAHDFKILSA-N 0 0 397.474 5.334 40 10 GKCBRN COc1ccc(C2=C/C(=C\c3ccc(OCc4cccc(C)c4)cc3)C(=O)O2)cc1 ZINC000408743225 533428782 /nfs/dbraw/zinc/42/87/82/533428782.db2.gz RPLDHZAOMPOQDX-PXLXIMEGSA-N 0 0 398.458 5.564 40 10 GKCBRN COc1ccc(C2=C/C(=C/c3cc(Cl)cc(Cl)c3Cl)C(=O)O2)cc1 ZINC000408742208 533429245 /nfs/dbraw/zinc/42/92/45/533429245.db2.gz NZYOYELTIWLCHA-SDQBBNPISA-N 0 0 381.642 5.637 40 10 GKCBRN CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccccc1)[C@@H]1CC=C[C@H]21 ZINC000003998614 136193627 /nfs/dbraw/zinc/19/36/27/136193627.db2.gz ARLIBSQDLKMFGT-INASXULFSA-N 0 0 397.518 5.758 40 10 GKCBRN CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccccc1)[C@@H]1CC=C[C@@H]21 ZINC000003998613 136193681 /nfs/dbraw/zinc/19/36/81/136193681.db2.gz ARLIBSQDLKMFGT-KIVVCQIMSA-N 0 0 397.518 5.758 40 10 GKCBRN O=C1c2cccc3cccc(c32)C(=O)N1c1ccc(/N=N/c2ccccc2)cc1 ZINC000004839520 136194201 /nfs/dbraw/zinc/19/42/01/136194201.db2.gz LXEYSBKNBQLEHL-OCEACIFDSA-N 0 0 377.403 6.056 40 10 GKCBRN CC(C)N1C(=O)S/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)C1=O ZINC000208256611 136202865 /nfs/dbraw/zinc/20/28/65/136202865.db2.gz KHMVSHKKRYDONH-OYZNXWOWSA-N 0 0 392.952 5.507 40 10 GKCBRN C[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000217901563 136203406 /nfs/dbraw/zinc/20/34/06/136203406.db2.gz WHIWEGNJCFYTRL-ZBEVKASSSA-N 0 0 382.935 5.467 40 10 GKCBRN C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000217855436 136203456 /nfs/dbraw/zinc/20/34/56/136203456.db2.gz WSWZPWKRAFBTPC-HUUCEWRRSA-N 0 0 391.342 5.721 40 10 GKCBRN Cc1ccc(SCCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218149133 136203520 /nfs/dbraw/zinc/20/35/20/136203520.db2.gz SSXPPHLNVNBXTA-WOJBJXKFSA-N 0 0 396.600 5.591 40 10 GKCBRN Cc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218139602 136203525 /nfs/dbraw/zinc/20/35/25/136203525.db2.gz FAVKLNKBLDLJGX-UXHICEINSA-N 0 0 396.600 5.589 40 10 GKCBRN Cc1ccc(SCCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218149054 136203546 /nfs/dbraw/zinc/20/35/46/136203546.db2.gz SSXPPHLNVNBXTA-UXHICEINSA-N 0 0 396.600 5.591 40 10 GKCBRN C[C@@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218069778 136203590 /nfs/dbraw/zinc/20/35/90/136203590.db2.gz CJLBYXLEEGDSOO-AQNXPRMDSA-N 0 0 396.600 5.422 40 10 GKCBRN Cc1ccc(CSCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218023057 136203592 /nfs/dbraw/zinc/20/35/92/136203592.db2.gz FUEDBYLEGMGOIB-UXHICEINSA-N 0 0 396.600 5.342 40 10 GKCBRN Cc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218139542 136203593 /nfs/dbraw/zinc/20/35/93/136203593.db2.gz FAVKLNKBLDLJGX-VQTJNVASSA-N 0 0 396.600 5.589 40 10 GKCBRN Cc1ccccc1CSCC(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218016618 136203611 /nfs/dbraw/zinc/20/36/11/136203611.db2.gz CDHJHPJULYZBOS-UYAOXDASSA-N 0 0 396.600 5.342 40 10 GKCBRN C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218164848 136203635 /nfs/dbraw/zinc/20/36/35/136203635.db2.gz AVJKQCQSQPIYAI-OAQYLSRUSA-N 0 0 398.550 6.081 40 10 GKCBRN Cc1cc(C)c(C)c(OCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000218969165 136203899 /nfs/dbraw/zinc/20/38/99/136203899.db2.gz CEVXTCGNXUANNV-OAQYLSRUSA-N 0 0 394.559 5.104 40 10 GKCBRN CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219313672 136204108 /nfs/dbraw/zinc/20/41/08/136204108.db2.gz WNHQXWYJHJSHRQ-KKLQWCBXSA-N 0 0 394.559 5.266 40 10 GKCBRN CCc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219295010 136204125 /nfs/dbraw/zinc/20/41/25/136204125.db2.gz MMSCLYVHIRJMJF-HSALFYBXSA-N 0 0 394.559 5.130 40 10 GKCBRN CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219317367 136204140 /nfs/dbraw/zinc/20/41/40/136204140.db2.gz KUJORZKNIFNSQZ-RDPSFJRHSA-N 0 0 394.559 5.266 40 10 GKCBRN Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1C ZINC000219309932 136204141 /nfs/dbraw/zinc/20/41/41/136204141.db2.gz HYFSQWLRAMTBPI-RTWAWAEBSA-N 0 0 394.559 5.184 40 10 GKCBRN CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219580549 136204216 /nfs/dbraw/zinc/20/42/16/136204216.db2.gz SQIVWZMUVXQKAN-JBYIUTFZSA-N 0 0 398.522 5.097 40 10 GKCBRN Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c(C)c1 ZINC000219533147 136204283 /nfs/dbraw/zinc/20/42/83/136204283.db2.gz QJSDGFDFUFJYBL-LEWJYISDSA-N 0 0 394.559 5.184 40 10 GKCBRN Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c(C)c1 ZINC000219533071 136204284 /nfs/dbraw/zinc/20/42/84/136204284.db2.gz QJSDGFDFUFJYBL-SFTDATJTSA-N 0 0 394.559 5.184 40 10 GKCBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCCC4)cc3)N21 ZINC000222690735 136204950 /nfs/dbraw/zinc/20/49/50/136204950.db2.gz XFMSHWWJZBWOAE-YUXAGFNASA-N 0 0 392.572 5.051 40 10 GKCBRN CN(C)c1ccc(C=C2SC(Nc3cccc(Cl)c3Cl)=NC2=O)cc1 ZINC000059566755 222058125 /nfs/dbraw/zinc/05/81/25/222058125.db2.gz JYJUEYFQXNMWMT-XNTDXEJSSA-N 0 0 392.311 5.142 40 10 GKCBRN Cc1c(/N=N\c2cccc(Cl)c2Cl)c(-c2ccccc2)nn1C(N)=S ZINC000104225584 222501095 /nfs/dbraw/zinc/50/10/95/222501095.db2.gz MRQAHPWOLMZACK-DQRAZIAOSA-N 0 0 390.299 5.672 40 10 GKCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2cn(C(C)C)c3ccccc23)SC1=S ZINC000409196931 533726587 /nfs/dbraw/zinc/72/65/87/533726587.db2.gz SNIKNFQVPHTORU-YBFXNURJSA-N 0 0 395.553 5.178 40 10 GKCBRN COc1cccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@H]32)c1OC ZINC000409151206 533759832 /nfs/dbraw/zinc/75/98/32/533759832.db2.gz GUURDRDKXQYSLP-SEDUGSJDSA-N 0 0 386.835 5.092 40 10 GKCBRN COc1cccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1OC ZINC000409160388 533760200 /nfs/dbraw/zinc/76/02/00/533760200.db2.gz WSHKHIDHOMFGDW-UMEGOILYSA-N 0 0 383.491 6.197 40 10 GKCBRN COc1cccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@H]32)c1 ZINC000409159180 533760271 /nfs/dbraw/zinc/76/02/71/533760271.db2.gz QGDYQRUFKHVBSY-LBTNJELSSA-N 0 0 379.809 6.194 40 10 GKCBRN COc1cccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@H]32)c1OC ZINC000409151720 533759133 /nfs/dbraw/zinc/75/91/33/533759133.db2.gz CYIDXLYKEBLEQP-VLXJIEOASA-N 0 0 376.283 5.837 40 10 GKCBRN Cc1cc(Cl)cc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000409169897 533773006 /nfs/dbraw/zinc/77/30/06/533773006.db2.gz RRJAMKODCHRPTA-PJIJBLCYSA-N 0 0 375.255 6.037 40 10 GKCBRN COc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000409076900 533832621 /nfs/dbraw/zinc/83/26/21/533832621.db2.gz COCQGCOLFQXAKU-HKWRFOASSA-N 0 0 388.854 5.183 40 10 GKCBRN Cc1ccc(CN2C(=O)S/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)cc1 ZINC000106706975 533911346 /nfs/dbraw/zinc/91/13/46/533911346.db2.gz XZPZYCQHFWODMT-QNGOZBTKSA-N 0 0 392.524 5.222 40 10 GKCBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cn1 ZINC000408987430 533993942 /nfs/dbraw/zinc/99/39/42/533993942.db2.gz XPRJHZSDFONIRH-QGOAFFKASA-N 0 0 388.854 5.215 40 10 GKCBRN COc1ccccc1C1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1c1ccccc1 ZINC000408841751 534001555 /nfs/dbraw/zinc/00/15/55/534001555.db2.gz KSJJYUQBEPSCST-HMMYKYKNSA-N 0 0 388.854 5.183 40 10 GKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000409176021 534064821 /nfs/dbraw/zinc/06/48/21/534064821.db2.gz XBGALPFINBQSCD-LAPQFRIASA-N 0 0 398.846 5.170 40 10 GKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000409151617 534065189 /nfs/dbraw/zinc/06/51/89/534065189.db2.gz IAXUJNZTYJKWOR-MTJIALIYSA-N 0 0 388.294 5.915 40 10 GKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000409155309 534065483 /nfs/dbraw/zinc/06/54/83/534065483.db2.gz QMSPOCJBHWNHED-CKNLXJGOSA-N 0 0 388.294 5.915 40 10 GKCBRN CSc1ccc(/C=C2\C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc1 ZINC000409050882 534180268 /nfs/dbraw/zinc/18/02/68/534180268.db2.gz BYHMFMDCUYPILG-XDJHFCHBSA-N 0 0 386.472 6.182 40 10 GKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@@H]21 ZINC000409164771 534249635 /nfs/dbraw/zinc/24/96/35/534249635.db2.gz NSAFPEOQVWDGPH-STXHMFSFSA-N 0 0 388.294 5.915 40 10 GKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(C(C)(C)C)cc1)[C@@H]1CC=C[C@@H]21 ZINC000409157726 534250028 /nfs/dbraw/zinc/25/00/28/534250028.db2.gz QFSNWSHGYCTNSQ-TXTKFYIRSA-N 0 0 375.512 5.906 40 10 GKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc31)N2 ZINC000409156352 534420241 /nfs/dbraw/zinc/42/02/41/534420241.db2.gz NNLBSDYVTDXORS-LDBYXDLTSA-N 0 0 399.843 7.339 40 10 GKCBRN Cc1cccc(-n2cccc2/C=C2/SC(=S)N(c3ccccc3)C2=O)c1 ZINC000408961373 534568902 /nfs/dbraw/zinc/56/89/02/534568902.db2.gz BSMIEBBJYSCTGR-XMHGGMMESA-N 0 0 376.506 5.192 40 10 GKCBRN O=C1NC(=O)C(=CC2=CC(=NNc3ccc(Cl)cc3Cl)C=CC2=O)S1 ZINC000408723951 534783977 /nfs/dbraw/zinc/78/39/77/534783977.db2.gz AYXQIOJQLBMBPS-SXKXGMSHSA-N 0 0 394.239 5.438 40 10 GKCBRN O=C1NC(=O)C(=CC2=CC(=NNc3cccc(C(F)(F)F)c3)C=CC2=O)S1 ZINC000408727133 534785422 /nfs/dbraw/zinc/78/54/22/534785422.db2.gz XJPYZZVWBKDKFE-QSTNYVNOSA-N 0 0 393.346 5.150 40 10 GKCBRN O=C1OC(c2ccc(Cl)cc2)=C/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000408740255 534804765 /nfs/dbraw/zinc/80/47/65/534804765.db2.gz ASZYUVRTEMRFDP-PTNGSMBKSA-N 0 0 393.782 5.490 40 10 GKCBRN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000408743773 534804923 /nfs/dbraw/zinc/80/49/23/534804923.db2.gz VDUBKQWTBADQIN-XSFVSMFZSA-N 0 0 388.850 5.900 40 10 GKCBRN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1c2ccccc2cc2ccccc12 ZINC000408740183 534805118 /nfs/dbraw/zinc/80/51/18/534805118.db2.gz AJBGQPYOEQLETN-XMHGGMMESA-N 0 0 382.846 6.628 40 10 GKCBRN O=C1OC(c2ccc3ccccc3c2)=C/C1=C/c1cccc(Br)c1 ZINC000408723578 534805514 /nfs/dbraw/zinc/80/55/14/534805514.db2.gz XANXZMAPFIFJSD-ZDLGFXPLSA-N 0 0 377.237 5.584 40 10 GKCBRN O=C1OC(c2ccc3ccccc3c2)=C/C1=C/c1ccc(Br)cc1 ZINC000408722817 534805760 /nfs/dbraw/zinc/80/57/60/534805760.db2.gz NMFBCACREYNSEM-WQRHYEAKSA-N 0 0 377.237 5.584 40 10 GKCBRN Cc1ccccc1N1C(=O)/C(=C\c2ccccc2OCC(C)C)SC1=S ZINC000408600431 534821389 /nfs/dbraw/zinc/82/13/89/534821389.db2.gz YFSVWBSYLLGQBO-XDHOZWIPSA-N 0 0 383.538 5.436 40 10 GKCBRN O=C1S/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)N1CC1CCCCC1 ZINC000409147794 534823578 /nfs/dbraw/zinc/82/35/78/534823578.db2.gz VYVGBWYSIFCZLP-HMMYKYKNSA-N 0 0 384.545 5.294 40 10 GKCBRN O=C1S/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)N1CC1CCCCC1 ZINC000409146301 534824000 /nfs/dbraw/zinc/82/40/00/534824000.db2.gz SYBHNBZRRAYIIC-CPNJWEJPSA-N 0 0 388.508 5.043 40 10 GKCBRN O=C1S/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccccc1F ZINC000106698102 534824352 /nfs/dbraw/zinc/82/43/52/534824352.db2.gz IALJMVLFMMORJM-ZHZULCJRSA-N 0 0 396.487 5.053 40 10 GKCBRN O=C1S/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1c1ccccc1Cl ZINC000409069206 534824590 /nfs/dbraw/zinc/82/45/90/534824590.db2.gz LYMSQFVBWDPBLK-AQTBWJFISA-N 0 0 384.888 5.181 40 10 GKCBRN O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2ccc(F)cc2)N1 ZINC000408864607 534852243 /nfs/dbraw/zinc/85/22/43/534852243.db2.gz YHLSFXKWYONANH-KCYKTTMJSA-N 0 0 395.433 5.428 40 10 GKCBRN Brc1cccc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@@H]32)c1 ZINC000408736486 526646851 /nfs/dbraw/zinc/64/68/51/526646851.db2.gz WGDQTNNXHCDPHQ-DYXWJJEUSA-N 0 0 376.297 6.429 40 10 GKCBRN Brc1cccc2c1N[C@H](c1cccc3ccccc31)[C@H]1CC=C[C@H]21 ZINC000007099425 526647249 /nfs/dbraw/zinc/64/72/49/526647249.db2.gz YMYMFRMECUUBCQ-DJPFJPOOSA-N 0 0 376.297 6.429 40 10 GKCBRN CC(C)(C)c1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@H]32)cc1 ZINC000409168977 526791200 /nfs/dbraw/zinc/79/12/00/526791200.db2.gz OMMJERWJWCHGRA-QINHECLXSA-N 0 0 382.891 6.372 40 10 GKCBRN CC(C)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S ZINC000409043928 527956168 /nfs/dbraw/zinc/95/61/68/527956168.db2.gz FWPAXJPVOOECHP-SXGWCWSVSA-N 0 0 377.918 5.457 40 10 GKCBRN CC(C)CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S ZINC000409038911 527956235 /nfs/dbraw/zinc/95/62/35/527956235.db2.gz WCLHNYRSTUSNTA-SXGWCWSVSA-N 0 0 377.918 5.457 40 10 GKCBRN CC(C)c1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000113834516 528057171 /nfs/dbraw/zinc/05/71/71/528057171.db2.gz SPIQMAQJWPYSFR-LICLKQGHSA-N 0 0 384.482 5.124 40 10 GKCBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(OCC)cc1 ZINC000103918953 528065248 /nfs/dbraw/zinc/06/52/48/528065248.db2.gz SANUPRQGYPHEGY-QNGOZBTKSA-N 0 0 381.451 5.113 40 10 GKCBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cccc(Cl)c1C ZINC000103919035 528065269 /nfs/dbraw/zinc/06/52/69/528065269.db2.gz DNSVASCXWMZLLU-ZHZULCJRSA-N 0 0 385.870 5.676 40 10 GKCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1cc(C)cc(C)c1 ZINC000103918735 528065485 /nfs/dbraw/zinc/06/54/85/528065485.db2.gz BLHMQBYSIGENCT-PGMHBOJBSA-N 0 0 392.459 5.100 40 10 GKCBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCCc1ccc(Cl)cc1 ZINC000103917952 528065503 /nfs/dbraw/zinc/06/55/03/528065503.db2.gz LBGQHZGBKYGUES-QNGOZBTKSA-N 0 0 399.897 5.088 40 10 GKCBRN CC(C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409335392 528130593 /nfs/dbraw/zinc/13/05/93/528130593.db2.gz ZNQLAWQXMFZBQG-GZTJUZNOSA-N 0 0 389.929 5.533 40 10 GKCBRN CC(C)COc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000409347353 528141068 /nfs/dbraw/zinc/14/10/68/528141068.db2.gz LXIUUWKSOHRPJC-VCHYOVAHSA-N 0 0 387.501 5.266 40 10 GKCBRN CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1=CNc1cccc(C)c1C ZINC000408534353 528145636 /nfs/dbraw/zinc/14/56/36/528145636.db2.gz QMAKIKQOMVMKOT-BOPFTXTBSA-N 0 0 398.304 5.093 40 10 GKCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(C(C)C)cc1 ZINC000409038767 528145704 /nfs/dbraw/zinc/14/57/04/528145704.db2.gz PHDQRKLLGLDGSB-MDWZMJQESA-N 0 0 394.343 5.312 40 10 GKCBRN CCCCCCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1C ZINC000408538840 528148203 /nfs/dbraw/zinc/14/82/03/528148203.db2.gz CJCYXUASNJXEPZ-PGMHBOJBSA-N 0 0 396.918 6.105 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2C)o1 ZINC000408901268 528149822 /nfs/dbraw/zinc/14/98/22/528149822.db2.gz CVBKRFBYMOTYKM-DEDYPNTBSA-N 0 0 376.843 5.715 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cc(C)cc(C)c2)cc1 ZINC000408938544 528149880 /nfs/dbraw/zinc/14/98/80/528149880.db2.gz KVTXAGQGBSDSTG-PCLIKHOPSA-N 0 0 396.490 5.689 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000409199119 528150032 /nfs/dbraw/zinc/15/00/32/528150032.db2.gz BMORHKUDPUFPTP-AQTBWJFISA-N 0 0 396.368 5.772 40 10 GKCBRN CCCN1C(=O)/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S ZINC000409210023 528162643 /nfs/dbraw/zinc/16/26/43/528162643.db2.gz JFDREJILCXBLKW-GDNBJRDFSA-N 0 0 397.443 5.577 40 10 GKCBRN CCCN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)SC1=S ZINC000409365248 528163144 /nfs/dbraw/zinc/16/31/44/528163144.db2.gz XSBUADNGZOUZFD-DEDYPNTBSA-N 0 0 392.549 5.301 40 10 GKCBRN CC(C)COc1ccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736435 528163317 /nfs/dbraw/zinc/16/33/17/528163317.db2.gz SPUNVLVHMQREJH-WWMYMODYSA-N 0 0 388.338 6.855 40 10 GKCBRN CC(C)COc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736485 528163342 /nfs/dbraw/zinc/16/33/42/528163342.db2.gz WDLRZCZXHWVNMK-DXIQSLLYSA-N 0 0 398.344 6.310 40 10 GKCBRN CC(C)COc1ccccc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O ZINC000408599991 528180804 /nfs/dbraw/zinc/18/08/04/528180804.db2.gz QJTGSKNGWKNALG-ZDLGFXPLSA-N 0 0 387.501 5.266 40 10 GKCBRN CC(C)COc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000408600035 528180982 /nfs/dbraw/zinc/18/09/82/528180982.db2.gz RRAYCPIGHURFRA-UNOMPAQXSA-N 0 0 383.538 5.123 40 10 GKCBRN CCOC(=O)c1ccc(-n2c(C)ccc2-c2ccc(Br)cc2)cc1 ZINC000408967446 528195830 /nfs/dbraw/zinc/19/58/30/528195830.db2.gz ROWOASYDUVRKBB-UHFFFAOYSA-N 0 0 384.273 5.392 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000408736489 528258128 /nfs/dbraw/zinc/25/81/28/528258128.db2.gz WKEQOBHLGBSPKU-TVSHIAKJSA-N 0 0 388.294 5.997 40 10 GKCBRN CCN(CC)c1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)c(OC)c1 ZINC000408741143 528293275 /nfs/dbraw/zinc/29/32/75/528293275.db2.gz GYXTYBMWESNJPD-SFQUDFHCSA-N 0 0 383.875 5.176 40 10 GKCBRN CCOc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccccc3)C2=O)cc1 ZINC000408767348 528368440 /nfs/dbraw/zinc/36/84/40/528368440.db2.gz ZOAQHHTZJAYMAW-CJLVFECKSA-N 0 0 386.426 5.059 40 10 GKCBRN CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1OCC ZINC000409345222 528369692 /nfs/dbraw/zinc/36/96/92/528369692.db2.gz KOYRENOEQKWJOP-CPNJWEJPSA-N 0 0 399.537 5.198 40 10 GKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(OC)c3)C2=O)cc1 ZINC000408984349 528370411 /nfs/dbraw/zinc/37/04/11/528370411.db2.gz HDWJRWZWTDEVFQ-LTGZKZEYSA-N 0 0 397.474 5.565 40 10 GKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)c2ccccc12 ZINC000408742318 528370484 /nfs/dbraw/zinc/37/04/84/528370484.db2.gz OHZOFAUDXMJNQW-GHRIWEEISA-N 0 0 376.839 5.873 40 10 GKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408985345 528370563 /nfs/dbraw/zinc/37/05/63/528370563.db2.gz LMGHVJGSHVZTMW-OQKWZONESA-N 0 0 381.475 5.865 40 10 GKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3CC)C2=O)cc1 ZINC000408987051 528370757 /nfs/dbraw/zinc/37/07/57/528370757.db2.gz VCCFCAMXODYPSH-PTGBLXJZSA-N 0 0 395.502 6.119 40 10 GKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(F)c3)C2=O)cc1 ZINC000408987419 528370827 /nfs/dbraw/zinc/37/08/27/528370827.db2.gz XOIWKHBJYZKGHY-HMMYKYKNSA-N 0 0 385.438 5.696 40 10 GKCBRN CCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F ZINC000408971273 528470926 /nfs/dbraw/zinc/47/09/26/528470926.db2.gz IACBVTVJMZUFGU-PTNGSMBKSA-N 0 0 394.780 5.087 40 10 GKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OC(C)C)SC2=S)cc1 ZINC000409335659 528482467 /nfs/dbraw/zinc/48/24/67/528482467.db2.gz YDOAEPGOEAYIHH-UYRXBGFRSA-N 0 0 399.537 5.278 40 10 GKCBRN CC(C)n1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2ccccc21 ZINC000408964082 528544979 /nfs/dbraw/zinc/54/49/79/528544979.db2.gz NEXSZCGSYFDNRI-PDGQHHTCSA-N 0 0 397.400 5.571 40 10 GKCBRN CC(C)n1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000409326392 528545211 /nfs/dbraw/zinc/54/52/11/528545211.db2.gz BGKGDIATUMEEAG-UNOMPAQXSA-N 0 0 384.570 5.756 40 10 GKCBRN CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000408903184 528623932 /nfs/dbraw/zinc/62/39/32/528623932.db2.gz VIAUDXLVUTWHOW-XSFVSMFZSA-N 0 0 391.517 5.644 40 10 GKCBRN CCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000409329782 528642709 /nfs/dbraw/zinc/64/27/09/528642709.db2.gz IFTDGJNEJJYQNM-RGEXLXHISA-N 0 0 399.537 5.280 40 10 GKCBRN CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000409334161 528657343 /nfs/dbraw/zinc/65/73/43/528657343.db2.gz URGUQLPSYONZJH-LDADJPATSA-N 0 0 387.501 5.410 40 10 GKCBRN CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000409329796 528657806 /nfs/dbraw/zinc/65/78/06/528657806.db2.gz IMBPBMBEYIRZQG-ZHZULCJRSA-N 0 0 397.565 5.888 40 10 GKCBRN CCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1 ZINC000059396925 528657972 /nfs/dbraw/zinc/65/79/72/528657972.db2.gz KRCBFUDSGWXQKN-RGEXLXHISA-N 0 0 383.538 5.580 40 10 GKCBRN CCCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(CCC)C1=O ZINC000409343403 528691187 /nfs/dbraw/zinc/69/11/87/528691187.db2.gz HGEMONVMMPEHHB-XMHGGMMESA-N 0 0 385.554 5.630 40 10 GKCBRN CCCOc1ccccc1/C=C1/SC(=S)N(c2ccc(OCC)cc2)C1=O ZINC000408601993 528767181 /nfs/dbraw/zinc/76/71/81/528767181.db2.gz MUPZLVKFMFHBGC-XMHGGMMESA-N 0 0 399.537 5.280 40 10 GKCBRN CCCn1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)c2ccccc21 ZINC000409349169 528827841 /nfs/dbraw/zinc/82/78/41/528827841.db2.gz UUHUZCFGXUTUKX-DEDYPNTBSA-N 0 0 392.549 5.766 40 10 GKCBRN CCCn1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c2ccccc21 ZINC000409342071 528828311 /nfs/dbraw/zinc/82/83/11/528828311.db2.gz BHTNOTXDYIEBGO-DEDYPNTBSA-N 0 0 392.549 5.453 40 10 GKCBRN CC(C)NC(=O)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000408735625 529138377 /nfs/dbraw/zinc/13/83/77/529138377.db2.gz ULMJZQIVCLRWFQ-UHFFFAOYSA-N 0 0 380.451 5.619 40 10 GKCBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1 ZINC000409339502 529191763 /nfs/dbraw/zinc/19/17/63/529191763.db2.gz JFRPZFXMEIANMT-QIQQCEGHSA-N 0 0 399.537 5.278 40 10 GKCBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1 ZINC000409331866 529192160 /nfs/dbraw/zinc/19/21/60/529192160.db2.gz PAVAHSJSQPWEIX-HTMJNSLASA-N 0 0 387.501 5.409 40 10 GKCBRN CC[C@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2ccccc2F)C1=O ZINC000409329066 529197143 /nfs/dbraw/zinc/19/71/43/529197143.db2.gz CNYZRNLHWRORQT-CYUIRQCWSA-N 0 0 387.501 5.409 40 10 GKCBRN CC[C@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O ZINC000409344792 529197383 /nfs/dbraw/zinc/19/73/83/529197383.db2.gz HFCCKQFKTAAQFI-CCNLRRDASA-N 0 0 383.538 5.578 40 10 GKCBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)C1=O ZINC000409013639 529349925 /nfs/dbraw/zinc/34/99/25/529349925.db2.gz NDFUBWUOJNBKPN-DDLUMYACSA-N 0 0 396.556 5.854 40 10 GKCBRN CC(C)Oc1ccccc1C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219744251 535056066 /nfs/dbraw/zinc/05/60/66/535056066.db2.gz DJRCUYDGYJRNRO-IBGZPJMESA-N 0 0 380.532 5.201 40 10 GKCBRN CCCN1C(=O)S/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C1=O ZINC000223493394 535346693 /nfs/dbraw/zinc/34/66/93/535346693.db2.gz OKCXXAXUZULAOE-UNOMPAQXSA-N 0 0 384.545 5.543 40 10 GKCBRN CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219595263 536045977 /nfs/dbraw/zinc/04/59/77/536045977.db2.gz YPIZDRZMFBQEKB-RDPSFJRHSA-N 0 0 394.559 5.266 40 10 GKCBRN CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219327625 536046976 /nfs/dbraw/zinc/04/69/76/536046976.db2.gz RTIHKHIOMMFQCB-PNCHPQGNSA-N 0 0 398.522 5.097 40 10 GKCBRN Oc1c([C@@H](Nc2cccnc2)c2ccc(C(F)(F)F)cc2)ccc2cccnc21 ZINC000001065026 570239824 /nfs/dbraw/zinc/23/98/24/570239824.db2.gz DENCCOZMOOLBIS-IBGZPJMESA-N 0 0 395.384 5.556 40 10 GKCBRN COc1cc(OC)c(/N=N/c2c(C)nc(N)nc2-c2ccccc2)cc1Cl ZINC000100402432 570271823 /nfs/dbraw/zinc/27/18/23/570271823.db2.gz JXJBDZNYUXQHEV-OCOZRVBESA-N 0 0 383.839 5.120 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000020704117 570280978 /nfs/dbraw/zinc/28/09/78/570280978.db2.gz BHRXMIDXOMOTRP-BIENJYKASA-N 0 0 385.807 5.291 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 ZINC000020711353 570281212 /nfs/dbraw/zinc/28/12/12/570281212.db2.gz SGKOJUFJFBAXQD-VPZZIHKRSA-N 0 0 375.255 6.037 40 10 GKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 ZINC000020712213 570281319 /nfs/dbraw/zinc/28/13/19/570281319.db2.gz WQAMXJBZLQXKPJ-SOZUMNATSA-N 0 0 391.254 5.737 40 10 GKCBRN CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)c2ccccc2)cc1 ZINC000101913945 570286064 /nfs/dbraw/zinc/28/60/64/570286064.db2.gz AUGAHJYYTWLNHK-IZHYLOQSSA-N 0 0 387.439 5.208 40 10 GKCBRN COc1ccc(-c2csc(=Nc3cccc(C)c3)n2-c2cccc(C)c2)cc1 ZINC000002676982 570294825 /nfs/dbraw/zinc/29/48/25/570294825.db2.gz ZFYDFWXNKIOTSX-UHFFFAOYSA-O 0 0 387.528 6.061 40 10 GKCBRN Cc1cccc(N=c2scc(-c3ccc(Cl)cc3)n2C2CCCCC2)c1 ZINC000002676871 570294845 /nfs/dbraw/zinc/29/48/45/570294845.db2.gz AJBLRBONKCOBHG-UHFFFAOYSA-O 0 0 383.968 6.913 40 10 GKCBRN COc1ccccc1NN=C1c2ccccc2C=C(C(=O)Nc2ccccc2)C1=O ZINC000104260847 570300129 /nfs/dbraw/zinc/30/01/29/570300129.db2.gz MZOOQEKXDIVGRL-RQZHXJHFSA-N 0 0 397.434 6.222 40 10 GKCBRN O=C1/C(=C\c2ccccc2F)N=C(c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000408755947 570391039 /nfs/dbraw/zinc/39/10/39/570391039.db2.gz PYCZSFRUFDOTSV-DEDYPNTBSA-N 0 0 394.808 5.453 40 10 GKCBRN O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2F)N1c1ccccc1 ZINC000408754403 570392710 /nfs/dbraw/zinc/39/27/10/570392710.db2.gz KFQREOKCDMLMGO-XSFVSMFZSA-N 0 0 376.818 5.314 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccc(F)cc2)cc1 ZINC000408755353 570393349 /nfs/dbraw/zinc/39/33/49/570393349.db2.gz UGIXJMFIWKXOFE-XQNSMLJCSA-N 0 0 399.469 5.035 40 10 GKCBRN FC(F)(F)c1ccccc1[C@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@@H]21 ZINC000004721956 570397899 /nfs/dbraw/zinc/39/78/99/570397899.db2.gz LGCZLAYBUUQHRC-RLFDGXBXSA-N 0 0 384.228 6.839 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccc(F)cc2)c1 ZINC000408760241 570398171 /nfs/dbraw/zinc/39/81/71/570398171.db2.gz VDUHHQXOYRZSBG-KGENOOAVSA-N 0 0 390.845 5.622 40 10 GKCBRN Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2cccc(C)c2)cc1 ZINC000408760089 570398205 /nfs/dbraw/zinc/39/82/05/570398205.db2.gz RJSJRGDXVHMXKR-PXLXIMEGSA-N 0 0 386.882 5.791 40 10 GKCBRN CC1=NN(c2ccccc2)C(=S)C1=CNc1ccc(C)cc1Br ZINC000004797658 570405937 /nfs/dbraw/zinc/40/59/37/570405937.db2.gz YYZGLJKYIYQNSY-PTNGSMBKSA-N 0 0 386.318 5.277 40 10 GKCBRN Clc1ccc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)cc1Cl ZINC000006971320 570415568 /nfs/dbraw/zinc/41/55/68/570415568.db2.gz IHRWRLDQORILQW-PRXAMGSTSA-N 0 0 395.127 6.582 40 10 GKCBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N(CC)CC)cc3C)N21 ZINC000222647473 570418646 /nfs/dbraw/zinc/41/86/46/570418646.db2.gz JSXKZPHCVPSFTF-BULFRSBZSA-N 0 0 394.588 5.216 40 10 GKCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N(CC)CC)cc3C)N21 ZINC000222647596 570418675 /nfs/dbraw/zinc/41/86/75/570418675.db2.gz JSXKZPHCVPSFTF-MTNREXPMSA-N 0 0 394.588 5.216 40 10 GKCBRN CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C1/C=Cc2c(ccc3ccccc32)O1 ZINC000005277163 570433357 /nfs/dbraw/zinc/43/33/57/570433357.db2.gz MINLRGJKJXRBRH-VHXPQNKSSA-N 0 0 380.447 5.539 40 10 GKCBRN CCN(CC)C(=O)c1ccc(/N=N/c2ccc(C(=O)N(CC)CC)cc2)cc1 ZINC000005313872 570433601 /nfs/dbraw/zinc/43/36/01/570433601.db2.gz BKQPZPUPXMVCEA-WCWDXBQESA-N 0 0 380.492 5.066 40 10 GKCBRN CCOC(=O)c1sc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c2c1N ZINC000005332602 570434411 /nfs/dbraw/zinc/43/44/11/570434411.db2.gz LPOITXAZWFHZBS-UHFFFAOYSA-N 0 0 392.455 5.528 40 10 GKCBRN CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1c2ccccc2cc2ccccc21 ZINC000005339913 570434686 /nfs/dbraw/zinc/43/46/86/570434686.db2.gz MNLREFOFRMMKEQ-JLPGSUDCSA-N 0 0 376.459 6.108 40 10 GKCBRN CCc1ccccc1N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S ZINC000005371528 570435372 /nfs/dbraw/zinc/43/53/72/570435372.db2.gz IKAUFHAORLDYOH-UNOMPAQXSA-N 0 0 378.522 5.147 40 10 GKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3ccc(C=O)cc3)SC2=S)cc1 ZINC000005375077 570436311 /nfs/dbraw/zinc/43/63/11/570436311.db2.gz SIYFELQFCPHMEM-UYRXBGFRSA-N 0 0 381.522 5.248 40 10 GKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 ZINC000005551947 570445471 /nfs/dbraw/zinc/44/54/71/570445471.db2.gz IPMWQELYRRXPKC-AQTBWJFISA-N 0 0 398.509 5.343 40 10 GKCBRN CCCCc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 ZINC000005551964 570445502 /nfs/dbraw/zinc/44/55/02/570445502.db2.gz FESIVHCHSIDPJH-HPWAJECUSA-N 0 0 379.550 5.991 40 10 GKCBRN CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)cc2)SC1=S ZINC000040005910 570452607 /nfs/dbraw/zinc/45/26/07/570452607.db2.gz YYPOVGVDIOYCDP-LDADJPATSA-N 0 0 387.501 5.016 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccc(Cl)cc2)c1 ZINC000408758533 570455057 /nfs/dbraw/zinc/45/50/57/570455057.db2.gz LYFLRMYLBISPDE-KGENOOAVSA-N 0 0 390.845 5.622 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2cccc(C)c2)cc1 ZINC000408760856 570470147 /nfs/dbraw/zinc/47/01/47/570470147.db2.gz AJOULGWHLVYMMH-PXLXIMEGSA-N 0 0 397.434 5.046 40 10 GKCBRN CC(C)Oc1ccc(/C=C2\SC(N(C)c3ccc(Cl)cc3)=NC2=O)cc1 ZINC000006513453 570482349 /nfs/dbraw/zinc/48/23/49/570482349.db2.gz BSIAGZNLDXFKLX-PDGQHHTCSA-N 0 0 386.904 5.234 40 10 GKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccccc4C)ccc3o2)cc1 ZINC000006630099 570485405 /nfs/dbraw/zinc/48/54/05/570485405.db2.gz HYYFAARZSMVEBW-UHFFFAOYSA-N 0 0 399.494 5.902 40 10 GKCBRN Clc1ccc(COc2ccc(C3Nc4cccc5cccc(c54)N3)cc2)cc1 ZINC000070453902 570486144 /nfs/dbraw/zinc/48/61/44/570486144.db2.gz UTILAOFYWGTNPL-UHFFFAOYSA-N 0 0 386.882 6.608 40 10 GKCBRN Cn1cc(C=C2SC(Nc3cccc4ccccc43)=NC2=O)c2ccccc21 ZINC000027230680 570494474 /nfs/dbraw/zinc/49/44/74/570494474.db2.gz MXIVRFZCMXZKNH-BKUYFWCQSA-N 0 0 383.476 5.414 40 10 GKCBRN CSC(=Nc1ccccc1)c1c(-c2ccccc2)cc2n(C)c3ccccc3n21 ZINC000027232758 570494634 /nfs/dbraw/zinc/49/46/34/570494634.db2.gz UDAMVUHIIJDUGC-UHFFFAOYSA-O 0 0 396.539 5.621 40 10 GKCBRN Cc1ccccc1[C@H](Nc1ccccn1)c1cc(Cl)c2cccnc2c1O ZINC000008036177 570521416 /nfs/dbraw/zinc/52/14/16/570521416.db2.gz YVABSISGPJUKGO-FQEVSTJZSA-N 0 0 375.859 5.499 40 10 GKCBRN C[C@@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000224735110 570527689 /nfs/dbraw/zinc/52/76/89/570527689.db2.gz GDTWMMSWQVBPQL-HXUWFJFHSA-N 0 0 376.544 5.366 40 10 GKCBRN C[C@@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc(N2CCC(C)CC2)cc1 ZINC000224861194 570534630 /nfs/dbraw/zinc/53/46/30/570534630.db2.gz KWNDRCOLZWHXIL-MRXNPFEDSA-N 0 0 388.914 5.135 40 10 GKCBRN COc1ccccc1/C=C1/N=C(c2ccc(C)cc2)N(c2ccc(C)cc2)C1=O ZINC000408755466 570545075 /nfs/dbraw/zinc/54/50/75/570545075.db2.gz NVMUJBLXNAFVTG-CJLVFECKSA-N 0 0 382.463 5.147 40 10 GKCBRN CCc1ccc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1 ZINC000009188915 570551240 /nfs/dbraw/zinc/55/12/40/570551240.db2.gz OBGHNQMZYFFJFT-XLNRJJMWSA-N 0 0 390.552 5.174 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1Cl ZINC000009188626 570551242 /nfs/dbraw/zinc/55/12/42/570551242.db2.gz WDHPUEXDZUAPFV-NVNXTCNLSA-N 0 0 380.321 5.708 40 10 GKCBRN CCCN1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)SC1=S ZINC000009188420 570551273 /nfs/dbraw/zinc/55/12/73/570551273.db2.gz WCRIAYBZBGRXBQ-UYRXBGFRSA-N 0 0 383.538 5.185 40 10 GKCBRN CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc31)N2 ZINC000036081001 570554218 /nfs/dbraw/zinc/55/42/18/570554218.db2.gz MCSZPDGJMRLJOD-BEYSDYMESA-N 0 0 389.542 7.943 40 10 GKCBRN COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1Cl ZINC000225323443 570564646 /nfs/dbraw/zinc/56/46/46/570564646.db2.gz XPONWQRRIHPFGT-INIZCTEOSA-N 0 0 386.923 5.076 40 10 GKCBRN CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000225656025 570599050 /nfs/dbraw/zinc/59/90/50/570599050.db2.gz YKFCPRRXNNKMHY-SFHVURJKSA-N 0 0 397.588 5.369 40 10 GKCBRN C[C@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccc(N2CCCC2)cc1 ZINC000225695376 570604473 /nfs/dbraw/zinc/60/44/73/570604473.db2.gz JISUBAPJBCVBMZ-AWEZNQCLSA-N 0 0 393.478 5.353 40 10 GKCBRN CC(C)Oc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)c1 ZINC000225696358 570604989 /nfs/dbraw/zinc/60/49/89/570604989.db2.gz TWTOGUYVSAIHFH-QGZVFWFLSA-N 0 0 383.561 5.122 40 10 GKCBRN CC(C)Oc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c1 ZINC000225696339 570605069 /nfs/dbraw/zinc/60/50/69/570605069.db2.gz TWTOGUYVSAIHFH-KRWDZBQOSA-N 0 0 383.561 5.122 40 10 GKCBRN CCN(CCCNC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(C)cc1 ZINC000225733218 570610542 /nfs/dbraw/zinc/61/05/42/570610542.db2.gz KNBVZBZJJUTHHT-UHFFFAOYSA-N 0 0 395.494 5.217 40 10 GKCBRN COc1cc(OC)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000004151391 570619101 /nfs/dbraw/zinc/61/91/01/570619101.db2.gz ZTIUKDUSOARIJB-TXPKVOOTSA-N 0 0 386.289 5.293 40 10 GKCBRN COc1cc(OC)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000004151394 570619132 /nfs/dbraw/zinc/61/91/32/570619132.db2.gz ZTIUKDUSOARIJB-FCEWJHQRSA-N 0 0 386.289 5.293 40 10 GKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3)SC2=S)cc1 ZINC000083302482 570628722 /nfs/dbraw/zinc/62/87/22/570628722.db2.gz VRIANEURHJCVGQ-LFIBNONCSA-N 0 0 375.902 5.145 40 10 GKCBRN O=[N+]([O-])c1ccc([C@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000043769602 570630163 /nfs/dbraw/zinc/63/01/63/570630163.db2.gz KICUXGFMZIKVEK-BWACUDIHSA-N 0 0 395.673 6.382 40 10 GKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000033638474 570646396 /nfs/dbraw/zinc/64/63/96/570646396.db2.gz NDWFEYXCVFFONZ-PJIJBLCYSA-N 0 0 399.834 5.600 40 10 GKCBRN Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N2 ZINC000058851376 570648265 /nfs/dbraw/zinc/64/82/65/570648265.db2.gz CKTHLXZTQHJKHA-DDBGAENHSA-N 0 0 394.685 6.202 40 10 GKCBRN COc1ccccc1[C@@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@@H]2C=CC[C@@H]21 ZINC000058851313 570648370 /nfs/dbraw/zinc/64/83/70/570648370.db2.gz BFRPHDQPDYTOGQ-LIBAHTEVSA-N 0 0 380.702 6.482 40 10 GKCBRN Cc1cc(C)c2c(c1)N[C@H](c1cc3c(cc1Br)OCO3)[C@H]1CC=C[C@H]21 ZINC000004959594 570653416 /nfs/dbraw/zinc/65/34/16/570653416.db2.gz KCONBCAFNVTJDZ-RXSFTSLZSA-N 0 0 398.300 5.621 40 10 GKCBRN O=C1/C(=C/c2ccccc2F)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000059396684 570655483 /nfs/dbraw/zinc/65/54/83/570655483.db2.gz PXOXCMGQPSKQIO-AUWJEWJLSA-N 0 0 384.284 5.538 40 10 GKCBRN COc1ccc(Cl)c2c1N[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@H]21 ZINC000004975260 570655488 /nfs/dbraw/zinc/65/54/88/570655488.db2.gz CHHFMFBQDGJVOZ-IUUKEHGRSA-N 0 0 380.702 6.482 40 10 GKCBRN CC(C)CC(=O)N[C@H](c1ccc(C(C)C)cc1)c1c(O)ccc2ccccc21 ZINC000004977226 570655909 /nfs/dbraw/zinc/65/59/09/570655909.db2.gz DNPTYYMKWYAMNE-RUZDIDTESA-N 0 0 375.512 5.921 40 10 GKCBRN CCOc1ccc(C2=C/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)O2)cc1 ZINC000059425788 570656476 /nfs/dbraw/zinc/65/64/76/570656476.db2.gz NBVHUPBVWJZALH-LGMDPLHJSA-N 0 0 392.838 5.980 40 10 GKCBRN COc1ccc(C2=C/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)O2)cc1 ZINC000059505728 570660086 /nfs/dbraw/zinc/66/00/86/570660086.db2.gz WLVOFTAHVNIWKS-RCCKNPSSSA-N 0 0 384.431 5.256 40 10 GKCBRN CCCC1=NN2C(=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=N)S1 ZINC000004603755 570661067 /nfs/dbraw/zinc/66/10/67/570661067.db2.gz PMOWAOOAAZEZJC-VRENQZFPSA-N 0 0 398.875 5.019 40 10 GKCBRN O=C(COc1ccc(/N=N/c2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000005559179 570665140 /nfs/dbraw/zinc/66/51/40/570665140.db2.gz GXQAUHMUAXGNIB-GHVJWSGMSA-N 0 0 376.372 5.028 40 10 GKCBRN Cc1ccc(CN2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)cc1 ZINC000409052791 570695641 /nfs/dbraw/zinc/69/56/41/570695641.db2.gz MEYBUYRDLPLJKL-MOSHPQCFSA-N 0 0 375.518 5.550 40 10 GKCBRN COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000000871810 570709992 /nfs/dbraw/zinc/70/99/92/570709992.db2.gz QFZRMCUSDMLCHR-TYILLQQXSA-N 0 0 386.835 5.092 40 10 GKCBRN O=C1/C(=C\c2ccc(-c3ccccc3)o2)SC(=S)N1c1cccc(F)c1 ZINC000001135913 570712544 /nfs/dbraw/zinc/71/25/44/570712544.db2.gz IQWBQRUXMQVLLG-LDADJPATSA-N 0 0 381.453 5.492 40 10 GKCBRN COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000001091547 570714624 /nfs/dbraw/zinc/71/46/24/570714624.db2.gz BJFZKXHZUJQUMR-RCCKNPSSSA-N 0 0 388.854 5.183 40 10 GKCBRN CN1C(=O)C(=CC2=CC(=NNc3cccc(Cl)c3)C=CC2=O)SC1=S ZINC000103428966 570725439 /nfs/dbraw/zinc/72/54/39/570725439.db2.gz XMNNPRPPIJZUMF-HYAWMFILSA-N 0 0 389.889 5.292 40 10 GKCBRN Cc1cc(Br)c2c(c1C)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000004151462 570726963 /nfs/dbraw/zinc/72/69/63/570726963.db2.gz BVJAADNFOQHJMJ-BXWFABGCSA-N 0 0 399.288 5.801 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21 ZINC000005587562 570734082 /nfs/dbraw/zinc/73/40/82/570734082.db2.gz LIUDWWNIJIMIOU-NJSLBKSFSA-N 0 0 375.255 6.037 40 10 GKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 ZINC000005738348 570734305 /nfs/dbraw/zinc/73/43/05/570734305.db2.gz JUZGYFWKGIPEEI-VBHSOAQHSA-N 0 0 391.254 5.737 40 10 GKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000005739822 570734759 /nfs/dbraw/zinc/73/47/59/570734759.db2.gz MXYBEMHMIWYYHF-JTDSTZFVSA-N 0 0 399.288 5.801 40 10 GKCBRN COc1ccc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1Cl ZINC000006672338 570749006 /nfs/dbraw/zinc/74/90/06/570749006.db2.gz SEBFAIJOBIIJBD-OVCLIPMQSA-N 0 0 396.320 5.408 40 10 GKCBRN Oc1c([C@H](Nc2nc3ccccc3s2)c2ccccc2)ccc2cccnc21 ZINC000013236195 570751686 /nfs/dbraw/zinc/75/16/86/570751686.db2.gz RVEAMUTXPUACCQ-HXUWFJFHSA-N 0 0 383.476 5.752 40 10 GKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000006962808 570754034 /nfs/dbraw/zinc/75/40/34/570754034.db2.gz IOCNABKIJXEALE-BIENJYKASA-N 0 0 389.282 6.345 40 10 GKCBRN Clc1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c(Cl)c1 ZINC000007096716 570756304 /nfs/dbraw/zinc/75/63/04/570756304.db2.gz YHZVGJPJABIFTB-YDIMBITNSA-N 0 0 392.329 7.487 40 10 GKCBRN Cc1c(Cl)ccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@H]21 ZINC000008276696 570766358 /nfs/dbraw/zinc/76/63/58/570766358.db2.gz MYMALMHOEMGZNE-QUJCMNEKSA-N 0 0 375.255 6.037 40 10 GKCBRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000010113251 570782309 /nfs/dbraw/zinc/78/23/09/570782309.db2.gz PKPDTXABBRXDCO-IBGZPJMESA-N 0 0 394.559 5.058 40 10 GKCBRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000010113252 570782374 /nfs/dbraw/zinc/78/23/74/570782374.db2.gz PKPDTXABBRXDCO-LJQANCHMSA-N 0 0 394.559 5.058 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@@H]21 ZINC000013389244 570840010 /nfs/dbraw/zinc/84/00/10/570840010.db2.gz AAPAYTYTDVLTTC-PJIJBLCYSA-N 0 0 388.294 5.997 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000013389243 570840035 /nfs/dbraw/zinc/84/00/35/570840035.db2.gz AAPAYTYTDVLTTC-BIENJYKASA-N 0 0 388.294 5.997 40 10 GKCBRN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1 ZINC000102627014 570855063 /nfs/dbraw/zinc/85/50/63/570855063.db2.gz RGRMXYYLLWHXTE-WCWDXBQESA-N 0 0 393.512 6.200 40 10 GKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21 ZINC000014476918 570892609 /nfs/dbraw/zinc/89/26/09/570892609.db2.gz HZWPBGIAGPBLGI-FHGNATFXSA-N 0 0 385.121 7.127 40 10 GKCBRN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000014472702 570892644 /nfs/dbraw/zinc/89/26/44/570892644.db2.gz AVDGFIMLGNZOMR-QEEYODRMSA-N 0 0 398.846 5.251 40 10 GKCBRN C1=C[C@H]2c3cc(Oc4ccccc4)ccc3N[C@@H](c3cccc4ccccc43)[C@H]2C1 ZINC000014463736 570892665 /nfs/dbraw/zinc/89/26/65/570892665.db2.gz QFJAMJPEKGJLLI-CRRLPVGBSA-N 0 0 389.498 7.459 40 10 GKCBRN CCOc1cc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)ccc1O ZINC000004523046 570896783 /nfs/dbraw/zinc/89/67/83/570896783.db2.gz VMZIMRUEGOLKNT-UHFFFAOYSA-N 0 0 390.527 5.103 40 10 GKCBRN O=C1NC(=S)S/C1=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000015055789 570901672 /nfs/dbraw/zinc/90/16/72/570901672.db2.gz VQUSZHVENJYBQS-NVNXTCNLSA-N 0 0 396.320 5.061 40 10 GKCBRN CC(Nc1ccc(C)c(C)c1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000017081691 570915937 /nfs/dbraw/zinc/91/59/37/570915937.db2.gz OLJWKSCIUHQFRL-NKFKGCMQSA-N 0 0 399.469 5.580 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(C)c2)cc1 ZINC000017086126 570916397 /nfs/dbraw/zinc/91/63/97/570916397.db2.gz UEKDARADJBYTRL-LFVJCYFKSA-N 0 0 382.463 5.380 40 10 GKCBRN CC(Nc1ccc(F)cc1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000017079456 570918126 /nfs/dbraw/zinc/91/81/26/570918126.db2.gz VBYPQSGLQAZPOE-QNGOZBTKSA-N 0 0 389.405 5.102 40 10 GKCBRN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000226733468 570954224 /nfs/dbraw/zinc/95/42/24/570954224.db2.gz LIQUOSJBJNPBHV-STXHMFSFSA-N 0 0 398.846 5.251 40 10 GKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@@H]32)ccc1Cl ZINC000226745140 570954257 /nfs/dbraw/zinc/95/42/57/570954257.db2.gz BEPUDCHYQJGFAV-SOZUMNATSA-N 0 0 395.673 6.382 40 10 GKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@@H]3C=CC[C@@H]32)ccc1Cl ZINC000226694005 570954358 /nfs/dbraw/zinc/95/43/58/570954358.db2.gz SMMHMHFCDJVMAZ-RLFDGXBXSA-N 0 0 395.673 6.382 40 10 GKCBRN Clc1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)c(Cl)c1 ZINC000226841224 570954833 /nfs/dbraw/zinc/95/48/33/570954833.db2.gz RNEJDSXTYWOKPA-BWACUDIHSA-N 0 0 395.127 6.582 40 10 GKCBRN COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000043769594 570964876 /nfs/dbraw/zinc/96/48/76/570964876.db2.gz QFZRMCUSDMLCHR-PJIJBLCYSA-N 0 0 386.835 5.092 40 10 GKCBRN O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@@H](c1ccccc1)[C@H]1CC=C[C@H]21 ZINC000004501950 570976023 /nfs/dbraw/zinc/97/60/23/570976023.db2.gz QZQQJAYREODZAK-JTAQYXEDSA-N 0 0 385.894 6.398 40 10 GKCBRN FC(F)(F)c1ccccc1[C@H]1Nc2c(Cl)c(Cl)ccc2[C@H]2C=CC[C@@H]21 ZINC000004689310 570989909 /nfs/dbraw/zinc/98/99/09/570989909.db2.gz QYSMKNMMLMUFOC-DINDLPBHSA-N 0 0 384.228 6.839 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 ZINC000005587559 230842177 /nfs/dbraw/zinc/84/21/77/230842177.db2.gz GUBQCAVHIQCXKZ-TXPKVOOTSA-N 0 0 385.261 5.492 40 10 GKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 ZINC000020711347 230905817 /nfs/dbraw/zinc/90/58/17/230905817.db2.gz UVDQGVKZCUWINE-YRUZYCQGSA-N 0 0 391.254 5.737 40 10 GKCBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1 ZINC000409338572 529382816 /nfs/dbraw/zinc/38/28/16/529382816.db2.gz MJASRHPMFCYZCG-JPVKTXQWSA-N 0 0 383.538 5.578 40 10 GKCBRN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000058929053 230940835 /nfs/dbraw/zinc/94/08/35/230940835.db2.gz LELLONBEKDZMKY-VGTOOOLASA-N 0 0 395.673 6.382 40 10 GKCBRN Cc1ccc(C)c2c1N[C@@H](c1c3ccccc3cc3ccccc31)[C@H]1CC=C[C@@H]21 ZINC000100374332 231007053 /nfs/dbraw/zinc/00/70/53/231007053.db2.gz GPPOIKRTMIFGTG-FMGHJNRGSA-N 0 0 375.515 7.436 40 10 GKCBRN O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1cccc2ccccc21 ZINC000113831204 231022927 /nfs/dbraw/zinc/02/29/27/231022927.db2.gz KWFQVSJDIWMNQF-LDADJPATSA-N 0 0 381.909 5.899 40 10 GKCBRN O=C1NC(=S)S/C1=C\c1c(OCc2ccccc2F)ccc2ccccc21 ZINC000408530506 231051872 /nfs/dbraw/zinc/05/18/72/231051872.db2.gz MALCRQXHRNGFTK-ODLFYWEKSA-N 0 0 395.480 5.047 40 10 GKCBRN Cc1ccc(NCN2C(=O)/C(=C\c3cccc(F)c3)SC2=S)cc1Cl ZINC000408722419 231106093 /nfs/dbraw/zinc/10/60/93/231106093.db2.gz UBAJRLAOMCLQED-LZYBPNLTSA-N 0 0 392.908 5.058 40 10 GKCBRN O=C(Nc1ccc(Cl)cc1)c1ccc2nc3ccc4ccccc4c3nc2c1 ZINC000408721140 231104925 /nfs/dbraw/zinc/10/49/25/231104925.db2.gz DBZSEIJKJFKRJS-UHFFFAOYSA-N 0 0 383.838 5.842 40 10 GKCBRN Cc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000408734548 231107813 /nfs/dbraw/zinc/10/78/13/231107813.db2.gz HTXVKUPKZDWYRG-UHFFFAOYSA-N 0 0 397.931 6.050 40 10 GKCBRN Cc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)c(C)n1-c1cccc(Cl)c1C ZINC000408734779 231107975 /nfs/dbraw/zinc/10/79/75/231107975.db2.gz JQGMKBQLXXBURO-UHFFFAOYSA-N 0 0 397.931 6.050 40 10 GKCBRN Clc1ccc2c(c1Cl)N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 ZINC000408736631 231108395 /nfs/dbraw/zinc/10/83/95/231108395.db2.gz YAGVLCMOUKSCHX-IGCXYCKISA-N 0 0 395.127 6.582 40 10 GKCBRN FC(F)(F)c1cccc2c1N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000408736936 231108539 /nfs/dbraw/zinc/10/85/39/231108539.db2.gz DUGDKKJRQXUGGW-PEBVRCNWSA-N 0 0 384.228 6.839 40 10 GKCBRN Clc1ccc2c(c1Cl)N[C@@H](c1ccc3c4c(cccc41)CC3)[C@H]1CC=C[C@@H]21 ZINC000408736337 231108862 /nfs/dbraw/zinc/10/88/62/231108862.db2.gz QMPDLWVHVOIFLB-LPXYKDPNSA-N 0 0 392.329 7.072 40 10 GKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccc(Cl)cc1 ZINC000408737947 231109867 /nfs/dbraw/zinc/10/98/67/231109867.db2.gz LGKNGEDLPMEZPK-HYARGMPZSA-N 0 0 389.886 5.554 40 10 GKCBRN Cc1cccc2c1N[C@@H](c1cc3c(cc1Br)OCO3)[C@H]1CC=C[C@@H]21 ZINC000408737684 231109934 /nfs/dbraw/zinc/10/99/34/231109934.db2.gz UZNGOQIPNSPNGY-TVSHIAKJSA-N 0 0 384.273 5.313 40 10 GKCBRN Cc1cccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)N2c2ccccc2)c1 ZINC000408765087 231112940 /nfs/dbraw/zinc/11/29/40/231112940.db2.gz KDQOGCCRYSWJFY-XIEYBQDHSA-N 0 0 388.470 5.983 40 10 GKCBRN O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2Cl)N1c1ccc(O)cc1 ZINC000408764291 231113154 /nfs/dbraw/zinc/11/31/54/231113154.db2.gz WOTPUVVEWVJAAE-DEDYPNTBSA-N 0 0 392.817 5.019 40 10 GKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2Cc2ccccc2)cc1 ZINC000408785434 231114048 /nfs/dbraw/zinc/11/40/48/231114048.db2.gz YWKQDGPYCGUQSW-PXLXIMEGSA-N 0 0 396.446 5.370 40 10 GKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(C2CCCCC2)cc1 ZINC000408964521 231137571 /nfs/dbraw/zinc/13/75/71/231137571.db2.gz CXVHNUQDQURXKT-UHFFFAOYSA-N 0 0 394.356 7.263 40 10 GKCBRN O=C1/C(=C\c2cccn2-c2ccccc2F)SC(=S)N1c1ccccc1 ZINC000408967560 231137848 /nfs/dbraw/zinc/13/78/48/231137848.db2.gz VTBRJOJDPBWPAP-QGOAFFKASA-N 0 0 380.469 5.022 40 10 GKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408971180 231138649 /nfs/dbraw/zinc/13/86/49/231138649.db2.gz CXYGSBMXWANCPL-JYRVWZFOSA-N 0 0 385.172 5.342 40 10 GKCBRN O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1cccc(F)c1 ZINC000408987019 231141704 /nfs/dbraw/zinc/14/17/04/231141704.db2.gz UQFVFOSSJAFCTI-QGOAFFKASA-N 0 0 375.830 5.950 40 10 GKCBRN O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc(F)cc1 ZINC000408984564 231141805 /nfs/dbraw/zinc/14/18/05/231141805.db2.gz IGKWCAQQZXHOBE-NBVRZTHBSA-N 0 0 375.830 5.950 40 10 GKCBRN O=C1/C(=C\c2cccs2)N=C(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000408994082 231144091 /nfs/dbraw/zinc/14/40/91/231144091.db2.gz FOBBEXADKJKFRB-LDADJPATSA-N 0 0 399.302 5.889 40 10 GKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1c(C)cccc1C ZINC000409001701 231145744 /nfs/dbraw/zinc/14/57/44/231145744.db2.gz QPMFXYIAWYDIPI-HZHRSRAPSA-N 0 0 383.495 5.517 40 10 GKCBRN Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000409021864 231147609 /nfs/dbraw/zinc/14/76/09/231147609.db2.gz CKRPCJGAKAQDJS-GIJQJNRQSA-N 0 0 388.920 5.501 40 10 GKCBRN Cc1cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000409116341 231165479 /nfs/dbraw/zinc/16/54/79/231165479.db2.gz NLRZAEREAWMTNK-IWIPYMOSSA-N 0 0 384.523 5.946 40 10 GKCBRN O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(F)cc(Br)cc2[C@@H]2C=CC[C@@H]21 ZINC000409164490 231173642 /nfs/dbraw/zinc/17/36/42/231173642.db2.gz JHHBPVRODWEGKF-BWACUDIHSA-N 0 0 389.224 5.323 40 10 GKCBRN FC(F)(F)c1ccccc1[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@H]21 ZINC000409151090 231172148 /nfs/dbraw/zinc/17/21/48/231172148.db2.gz GGQICIFNDZVVHW-SNUQEOBHSA-N 0 0 394.234 6.294 40 10 GKCBRN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000409153366 231172213 /nfs/dbraw/zinc/17/22/13/231172213.db2.gz HUYMKMOJPNBVEY-BWACUDIHSA-N 0 0 395.673 6.382 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2 ZINC000409165682 231173669 /nfs/dbraw/zinc/17/36/69/231173669.db2.gz AXNJIZCMYMFGLM-FHSNZYRGSA-N 0 0 383.335 6.551 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000409161044 231172812 /nfs/dbraw/zinc/17/28/12/231172812.db2.gz STJYABAGBDHIDY-VFVRVIDISA-N 0 0 394.234 6.294 40 10 GKCBRN O=[N+]([O-])c1cccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@H]32)c1 ZINC000409158835 231172946 /nfs/dbraw/zinc/17/29/46/231172946.db2.gz YCAZISPGLQXGKC-AHIWAGSCSA-N 0 0 394.780 6.094 40 10 GKCBRN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000409166180 231173494 /nfs/dbraw/zinc/17/34/94/231173494.db2.gz COILFAZAZNXSQG-CZIZLABSSA-N 0 0 395.673 6.382 40 10 GKCBRN Fc1cc(Br)cc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 ZINC000409169543 231173806 /nfs/dbraw/zinc/17/38/06/231173806.db2.gz QQYXPTXBCYSFKC-PRXAMGSTSA-N 0 0 378.672 6.068 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21 ZINC000409169098 231173938 /nfs/dbraw/zinc/17/39/38/231173938.db2.gz ORBUXMFBLQCCSE-GPMSIDNRSA-N 0 0 385.261 5.492 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000409169166 231174047 /nfs/dbraw/zinc/17/40/47/231174047.db2.gz PILQAPVRYAYIEN-VKJFTORMSA-N 0 0 394.234 6.294 40 10 GKCBRN Cc1cc(-c2nc3ccccc3s2)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409191415 231177123 /nfs/dbraw/zinc/17/71/23/231177123.db2.gz GXKPZKPHSAOOIZ-UHFFFAOYSA-N 0 0 380.516 7.038 40 10 GKCBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409314942 231190144 /nfs/dbraw/zinc/19/01/44/231190144.db2.gz ULDOCJIUFNRWHA-UYRXBGFRSA-N 0 0 398.915 5.490 40 10 GKCBRN O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=S)N1c1ccccc1F ZINC000409328836 231190225 /nfs/dbraw/zinc/19/02/25/231190225.db2.gz BKBRGAIXTIWBAE-JYRVWZFOSA-N 0 0 384.284 5.538 40 10 GKCBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=S)N(c2ccccc2F)C1=O ZINC000409330288 231190855 /nfs/dbraw/zinc/19/08/55/231190855.db2.gz KNSWBBSXJAWKIC-UYRXBGFRSA-N 0 0 398.528 5.140 40 10 GKCBRN CSc1cccc(N2C(=O)/C(=C\c3c(C)[nH]c4ccccc43)SC2=S)c1 ZINC000409339311 231191985 /nfs/dbraw/zinc/19/19/85/231191985.db2.gz HDUPKNDGVQSWTQ-WOJGMQOQSA-N 0 0 396.562 5.604 40 10 GKCBRN CCn1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)c2ccccc21 ZINC000409338117 231192071 /nfs/dbraw/zinc/19/20/71/231192071.db2.gz DHDMXKAKOOXIBJ-UNOMPAQXSA-N 0 0 378.522 5.375 40 10 GKCBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=S)N(C2CCCCC2)C1=O ZINC000409338486 231192175 /nfs/dbraw/zinc/19/21/75/231192175.db2.gz KVYAKBIFGBTSBX-RGEXLXHISA-N 0 0 386.586 5.129 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C/c3cccc(Cl)c3Cl)SC2=S)c1 ZINC000409339644 231192195 /nfs/dbraw/zinc/19/21/95/231192195.db2.gz JZGNKHRTCNASIW-ZROIWOOFSA-N 0 0 380.321 5.708 40 10 GKCBRN O=C1/C(=C/c2ccccc2F)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409352716 231194531 /nfs/dbraw/zinc/19/45/31/231194531.db2.gz YFIHAUWFVKXYDX-AUWJEWJLSA-N 0 0 384.284 5.538 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(C(F)(F)F)c3)SC2=S)c(C)c1 ZINC000409349757 231194548 /nfs/dbraw/zinc/19/45/48/231194548.db2.gz QTTLBXPDVUKBRC-YBEGLDIGSA-N 0 0 393.455 5.728 40 10 GKCBRN Cc1c(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1C ZINC000409351500 231194994 /nfs/dbraw/zinc/19/49/94/231194994.db2.gz UWSSAXIYLGIISB-WOJGMQOQSA-N 0 0 398.940 5.546 40 10 GKCBRN CCc1ccccc1-n1c(C)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1C ZINC000408902376 529558958 /nfs/dbraw/zinc/55/89/58/529558958.db2.gz NHBWFCFUMLKVNU-XQNSMLJCSA-N 0 0 383.495 5.463 40 10 GKCBRN CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)c[nH]c21 ZINC000409134140 529548657 /nfs/dbraw/zinc/54/86/57/529548657.db2.gz MXSNDXBIZCNVSE-PDGQHHTCSA-N 0 0 384.570 5.512 40 10 GKCBRN CCc1cccc2c(/C=C3/SC(=S)N(c4ccc(C)cc4)C3=O)c[nH]c21 ZINC000409347306 529548843 /nfs/dbraw/zinc/54/88/43/529548843.db2.gz PCRCLHYIORLDFE-WOJGMQOQSA-N 0 0 378.522 5.445 40 10 GKCBRN CCc1cccc2c(/C=C3/SC(=S)N(c4ccc(OC)cc4)C3=O)c[nH]c21 ZINC000409350403 529549030 /nfs/dbraw/zinc/54/90/30/529549030.db2.gz YFMKDNTUPCJKIZ-WOJGMQOQSA-N 0 0 394.521 5.145 40 10 GKCBRN CCc1cccc2c(/C=C3\SC(=S)N(c4ccc(C)c(C)c4)C3=O)c[nH]c21 ZINC000409329307 529549229 /nfs/dbraw/zinc/54/92/29/529549229.db2.gz DJYATYJGPWBRAZ-ODLFYWEKSA-N 0 0 392.549 5.753 40 10 GKCBRN CCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@H](C)CC)C3=O)c2C)cc1 ZINC000409019516 529579845 /nfs/dbraw/zinc/57/98/45/529579845.db2.gz ZNVNNJXWYPEYHS-GNUZOCDUSA-N 0 0 382.529 5.491 40 10 GKCBRN CCc1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1 ZINC000408983281 529662504 /nfs/dbraw/zinc/66/25/04/529662504.db2.gz AHVUXTXDKBUHKN-LTGZKZEYSA-N 0 0 385.894 6.374 40 10 GKCBRN CCc1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409165471 529718252 /nfs/dbraw/zinc/71/82/52/529718252.db2.gz YNEAEHXZBKBPPL-TYILLQQXSA-N 0 0 378.730 7.036 40 10 GKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)c1C ZINC000409020688 529733637 /nfs/dbraw/zinc/73/36/37/529733637.db2.gz SBQQSNTXTRGXNZ-OOWUWCJESA-N 0 0 396.556 5.800 40 10 GKCBRN CCOc1c(/N=N/c2ccccc2OC)c(-c2ccccc2)nn1C(=S)S ZINC000017140014 210205805 /nfs/dbraw/zinc/20/58/05/210205805.db2.gz IRMUGWDZRGYIMQ-QZQOTICOSA-N 0 0 398.513 5.436 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000016687923 210194621 /nfs/dbraw/zinc/19/46/21/210194621.db2.gz QDOXXQOPOMYSKZ-GJYPPUQNSA-N 0 0 398.300 5.452 40 10 GKCBRN Cc1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000225653755 222687969 /nfs/dbraw/zinc/68/79/69/222687969.db2.gz VDCJZEPGJHBPOQ-IBGZPJMESA-N 0 0 381.589 5.587 40 10 GKCBRN C[C@@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(N2CCCCC2)cc1 ZINC000225664411 222688522 /nfs/dbraw/zinc/68/85/22/222688522.db2.gz VKMXXECIKXJMQE-CQSZACIVSA-N 0 0 375.488 5.003 40 10 GKCBRN C[C@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccc(N2CCCCC2)cc1 ZINC000225664871 222689060 /nfs/dbraw/zinc/68/90/60/222689060.db2.gz QGHHLPAVQUBZQJ-AWEZNQCLSA-N 0 0 375.488 5.003 40 10 GKCBRN Cc1ccc(C(=O)Nc2cc3c4c(c2)[C@H]2C=CC[C@@H]2CN4C[C@@H]2CC=C[C@@H]32)cc1 ZINC000005330714 209588059 /nfs/dbraw/zinc/58/80/59/209588059.db2.gz RLPNGAYKCGQFGU-KNGAYFSHSA-N 0 0 382.507 5.400 40 10 GKCBRN CCCCc1ccc(NCc2ccc(N3CCCC[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000226242296 209187054 /nfs/dbraw/zinc/18/70/54/209187054.db2.gz GIFGGGHNESSSBQ-SFHVURJKSA-N 0 0 381.520 5.928 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000000871785 212191327 /nfs/dbraw/zinc/19/13/27/212191327.db2.gz HPBRTNDCSAQOBF-ZQGRQUNCSA-N 0 0 398.846 5.251 40 10 GKCBRN Fc1ccccc1[C@H]1[C@H]2CC=C[C@@H]2c2c3ccccc3cc3c2N1C[C@H]1CC=C[C@H]31 ZINC000004182493 204031587 /nfs/dbraw/zinc/03/15/87/204031587.db2.gz FVAFZNALYZHRMV-ZFQKPUMPSA-N 0 0 393.505 6.873 40 10 GKCBRN CCN(CCO)c1ccc(/N=N\c2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 ZINC000004529989 204050412 /nfs/dbraw/zinc/05/04/12/204050412.db2.gz IZKMDTFNKCYTOU-VXPUYCOJSA-N 0 0 383.235 5.136 40 10 GKCBRN O=C(SC1=NC(=O)/C(=C\c2ccccc2Cl)S1)c1ccc(Cl)cc1 ZINC000005006753 204102230 /nfs/dbraw/zinc/10/22/30/204102230.db2.gz UQXAKDTZZRYZEJ-NTEUORMPSA-N 0 0 394.304 5.537 40 10 GKCBRN CCc1ccccc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000005371911 204127835 /nfs/dbraw/zinc/12/78/35/204127835.db2.gz ARFYVABICGNDHR-SXGWCWSVSA-N 0 0 394.348 5.962 40 10 GKCBRN CCCCOc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1 ZINC000005861844 204153975 /nfs/dbraw/zinc/15/39/75/204153975.db2.gz OJVCTFYBWOSRIL-RGEXLXHISA-N 0 0 383.538 5.580 40 10 GKCBRN Cc1ccc(C)c(N2C(=O)/C(=C/C(Cl)=C/c3ccccc3)SC2=S)c1 ZINC000005372231 204129981 /nfs/dbraw/zinc/12/99/81/204129981.db2.gz KYUTXSOYZORTMM-UOEITARKSA-N 0 0 385.941 5.832 40 10 GKCBRN Nc1nn2c([nH]c(=O)cc2-c2ccccc2)c1N=Nc1cc(Cl)ccc1Cl ZINC000006864565 204216098 /nfs/dbraw/zinc/21/60/98/204216098.db2.gz UVHGWBDUSMUMHC-WCWDXBQESA-N 0 0 399.241 5.406 40 10 GKCBRN CCCCN1C(=O)/C(=C\c2cccc(OCc3ccc(C)cc3)c2)SC1=S ZINC000009188393 204301999 /nfs/dbraw/zinc/30/19/99/204301999.db2.gz ZIQLKNKRMSFWJA-XSFVSMFZSA-N 0 0 397.565 5.575 40 10 GKCBRN COc1ccccc1/C=C1\SC(=S)N(c2ccc(C)c(Cl)c2)C1=O ZINC000009188618 204302198 /nfs/dbraw/zinc/30/21/98/204302198.db2.gz KVLJRZZQHQVUML-SXGWCWSVSA-N 0 0 375.902 5.063 40 10 GKCBRN Cc1ccc(C)c(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000225667321 211914083 /nfs/dbraw/zinc/91/40/83/211914083.db2.gz ASQUZCQAVPNGBE-IEBWSBKVSA-N 0 0 381.589 5.587 40 10 GKCBRN COc1ccc(/C=C2/C=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc1OC ZINC000006582685 209129163 /nfs/dbraw/zinc/12/91/63/209129163.db2.gz NXOZNFHHTCXRAT-STZFKDTASA-N 0 0 384.431 5.352 40 10 GKCBRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000224099955 211853599 /nfs/dbraw/zinc/85/35/99/211853599.db2.gz JXWPGGQWUVMISO-QHCPKHFHSA-N 0 0 396.575 5.304 40 10 GKCBRN CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc(C(F)(F)F)c1)N2 ZINC000004624362 209121661 /nfs/dbraw/zinc/12/16/61/209121661.db2.gz ANSKEBAPMGMQFR-ABSDTBQOSA-N 0 0 387.401 5.709 40 10 GKCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccc1 ZINC000222611443 211805525 /nfs/dbraw/zinc/80/55/25/211805525.db2.gz WXSYUWDJCFGFQK-USCONSEESA-N 0 0 388.540 5.078 40 10 GKCBRN COc1ccc(Cl)c2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@H]21 ZINC000004975258 205759710 /nfs/dbraw/zinc/75/97/10/205759710.db2.gz CHHFMFBQDGJVOZ-VNBZBWLYSA-N 0 0 380.702 6.482 40 10 GKCBRN CCN1C(=O)/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S ZINC000013487530 205889096 /nfs/dbraw/zinc/88/90/96/205889096.db2.gz KONUBAFTEZMEMT-ZROIWOOFSA-N 0 0 383.416 5.187 40 10 GKCBRN COc1ccc(N2CCO[C@H]2c2ccn(-c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000216727944 205933755 /nfs/dbraw/zinc/93/37/55/205933755.db2.gz DJDPLIPSCKNQNH-FQEVSTJZSA-N 0 0 388.389 5.040 40 10 GKCBRN COc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1Cl ZINC000225323478 206042995 /nfs/dbraw/zinc/04/29/95/206042995.db2.gz XPONWQRRIHPFGT-MRXNPFEDSA-N 0 0 386.923 5.076 40 10 GKCBRN FC(F)(F)c1cccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000225415988 206047955 /nfs/dbraw/zinc/04/79/55/206047955.db2.gz IFIQZVBQRKSHOF-UHFFFAOYSA-N 0 0 393.478 5.182 40 10 GKCBRN Cc1ccc(NC(=S)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000225455174 206048952 /nfs/dbraw/zinc/04/89/52/206048952.db2.gz STBKEBINYQAYRQ-UHFFFAOYSA-N 0 0 380.900 5.688 40 10 GKCBRN Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000225104845 206036695 /nfs/dbraw/zinc/03/66/95/206036695.db2.gz SORMXYQQEVSFSI-HXUWFJFHSA-N 0 0 394.559 5.050 40 10 GKCBRN Cc1cc(C)cc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000225667362 206065234 /nfs/dbraw/zinc/06/52/34/206065234.db2.gz AEAXRGSCOIBSHA-APWZRJJASA-N 0 0 381.589 5.587 40 10 GKCBRN C[C@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225669794 206065604 /nfs/dbraw/zinc/06/56/04/206065604.db2.gz QFTVMUATRQFNKH-CABCVRRESA-N 0 0 389.515 5.249 40 10 GKCBRN C[C@@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccc(N2CCCCC2)cc1 ZINC000225664846 206066030 /nfs/dbraw/zinc/06/60/30/206066030.db2.gz QGHHLPAVQUBZQJ-CQSZACIVSA-N 0 0 375.488 5.003 40 10 GKCBRN c1ccc(N=Nc2ccc(/N=N/c3ccc(N=Nc4ccccc4)cc3)cc2)cc1 ZINC000245238922 206132809 /nfs/dbraw/zinc/13/28/09/206132809.db2.gz CLMOIOFSZOQWIZ-OHXGHXJJSA-N 0 0 390.450 8.933 40 10 GKCBRN CC1CCN(c2ccc(CNc3ccc4ccccc4c3)cc2[N+](=O)[O-])CC1 ZINC000226241976 206258132 /nfs/dbraw/zinc/25/81/32/206258132.db2.gz GEMNBUYXJJBCFB-UHFFFAOYSA-N 0 0 375.472 5.596 40 10 GKCBRN COc1ccc(Cl)c2c1N[C@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000004828903 211548718 /nfs/dbraw/zinc/54/87/18/211548718.db2.gz LOMHKTSXDZGTJT-XEKQOVJPSA-N 0 0 386.835 5.092 40 10 GKCBRN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)c1 ZINC000005371915 206609174 /nfs/dbraw/zinc/60/91/74/206609174.db2.gz XMCWZWUYXVGBCI-PXNMLYILSA-N 0 0 394.348 6.016 40 10 GKCBRN Cc1ccccc1N=Nc1cc(C)c(NN=C2C(=O)C=Cc3ccccc32)cc1C ZINC000101063285 211393476 /nfs/dbraw/zinc/39/34/76/211393476.db2.gz NRBKWAQSLYBVSG-TZZNUMCQSA-N 0 0 394.478 8.301 40 10 GKCBRN CC(C)=C1C(=O)N(c2c(Cl)cc(Cl)cc2Cl)N=C1Nc1ccccc1 ZINC000016138615 207073023 /nfs/dbraw/zinc/07/30/23/207073023.db2.gz KBLXIOQGURDNRP-UHFFFAOYSA-N 0 0 394.689 5.755 40 10 GKCBRN Cc1nc2ccccc2nc1CNc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000016265246 207074001 /nfs/dbraw/zinc/07/40/01/207074001.db2.gz FXQXTKVUEDXLEM-UHFFFAOYSA-N 0 0 387.870 5.435 40 10 GKCBRN c1ccc(Sc2ccccc2/N=N/c2ccccc2Sc2ccccc2)cc1 ZINC000017379553 207089171 /nfs/dbraw/zinc/08/91/71/207089171.db2.gz VQQBRBJYXGGNIN-OCEACIFDSA-N 0 0 398.556 8.404 40 10 GKCBRN Cc1ccccc1NC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21 ZINC000018187757 207093913 /nfs/dbraw/zinc/09/39/13/207093913.db2.gz XWTWCLAEJRUAPM-NZXJAIKPSA-N 0 0 382.507 5.400 40 10 GKCBRN CN(C)c1ccc([C@H]2N[C@@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716534 207384146 /nfs/dbraw/zinc/38/41/46/207384146.db2.gz FAGJDMXDGJEHOM-UIOOFZCWSA-N 0 0 380.491 5.676 40 10 GKCBRN Cc1ccc(COc2ccc([C@@H]3Nc4c(F)cccc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000032121157 207395145 /nfs/dbraw/zinc/39/51/45/207395145.db2.gz YREWEHBRSKUDJZ-FBLLAGFSSA-N 0 0 385.482 6.540 40 10 GKCBRN Clc1ccc(-c2csc(=Nc3ccccc3)n2CCc2ccccc2)cc1 ZINC000036719750 207536988 /nfs/dbraw/zinc/53/69/88/207536988.db2.gz XGVNWZITGQTNDB-UHFFFAOYSA-O 0 0 391.947 6.342 40 10 GKCBRN Cc1ccccc1/N=N/c1ccc(/N=N\c2ccc(N)c3ccccc23)c(C)c1 ZINC000100249239 208375120 /nfs/dbraw/zinc/37/51/20/208375120.db2.gz MGOWCALAJHKIEV-TZZNUMCQSA-N 0 0 379.467 7.870 40 10 GKCBRN CCCCc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1 ZINC000020226875 210325029 /nfs/dbraw/zinc/32/50/29/210325029.db2.gz NYAOEABSQKZYMZ-DEDYPNTBSA-N 0 0 392.549 5.916 40 10 GKCBRN CC1(C)Cc2c(cc(-c3ccccc3)n2-c2ccc(Br)cc2)C(=O)C1 ZINC000000753930 208705095 /nfs/dbraw/zinc/70/50/95/208705095.db2.gz HGBXYEADSNORRU-UHFFFAOYSA-N 0 0 394.312 6.062 40 10 GKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C(C)(C)C)cc1)[C@H]1CC=C[C@@H]21 ZINC000409163023 533132047 /nfs/dbraw/zinc/13/20/47/533132047.db2.gz KTNKOVBDURIMOU-LVCYWYKZSA-N 0 0 378.472 5.727 40 10 GKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc31)N2 ZINC000004691477 220748333 /nfs/dbraw/zinc/74/83/33/220748333.db2.gz HWGSLBXHTZZQOT-NRJQMVOHSA-N 0 0 389.882 6.106 40 10 GKCBRN O=C1/C(=C\c2ccco2)SC(=S)N1C1c2ccccc2Oc2ccccc21 ZINC000008615404 221046866 /nfs/dbraw/zinc/04/68/66/221046866.db2.gz JWKXNQGXMATCEE-LDADJPATSA-N 0 0 391.473 5.376 40 10 GKCBRN CC(C)(C)c1cc(/C=C2\SC(N3CCCC3)=NC2=O)cc(C(C)(C)C)c1O ZINC000009188842 221073498 /nfs/dbraw/zinc/07/34/98/221073498.db2.gz CXILMQYQWXDUKY-LGMDPLHJSA-N 0 0 386.561 5.053 40 10 GKCBRN O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1ccccc1Cl ZINC000009188921 221073880 /nfs/dbraw/zinc/07/38/80/221073880.db2.gz HAJHRMMWOWZQCM-HKWRFOASSA-N 0 0 396.943 5.265 40 10 GKCBRN O=C1/C(=C/c2ccc(-c3ccccc3)cc2)SC(=S)N1Cc1ccco1 ZINC000013547874 221271798 /nfs/dbraw/zinc/27/17/98/221271798.db2.gz IEVKGQIVOYWFLO-UYRXBGFRSA-N 0 0 377.490 5.348 40 10 GKCBRN Cc1c(/N=N/c2cccc(Cl)c2Cl)c(-c2ccccc2)nn1C(N)=S ZINC000017130655 221379851 /nfs/dbraw/zinc/37/98/51/221379851.db2.gz MRQAHPWOLMZACK-QURGRASLSA-N 0 0 390.299 5.672 40 10 GKCBRN CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)c2nc3ccccc3s2)cc1 ZINC000016952766 221373654 /nfs/dbraw/zinc/37/36/54/221373654.db2.gz JLVHXJPVRLFKKM-LTGZKZEYSA-N 0 0 399.519 5.290 40 10 GKCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000409023166 533266794 /nfs/dbraw/zinc/26/67/94/533266794.db2.gz TVHVIVDHKYZIKB-HMAPJEAMSA-N 0 0 389.495 5.304 40 10 GKCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 ZINC000408895046 533267341 /nfs/dbraw/zinc/26/73/41/533267341.db2.gz SWIPCLYFTFAFOR-ZHZULCJRSA-N 0 0 393.458 5.000 40 10 GKCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000408896279 533267819 /nfs/dbraw/zinc/26/78/19/533267819.db2.gz XGQZANPURPVDKM-JCMHNJIXSA-N 0 0 383.447 5.025 40 10 GKCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000409001947 533267831 /nfs/dbraw/zinc/26/78/31/533267831.db2.gz RDGVOEZODRFTLG-MOSHPQCFSA-N 0 0 395.886 5.341 40 10 GKCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000408892736 533266243 /nfs/dbraw/zinc/26/62/43/533266243.db2.gz JIRKBMQQDUSSDZ-HAHDFKILSA-N 0 0 397.474 5.334 40 10 GKCBRN COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1OC)N2 ZINC000408737026 533291715 /nfs/dbraw/zinc/29/17/15/533291715.db2.gz GXMZIGRABIJDJI-QEEYODRMSA-N 0 0 386.289 5.293 40 10 GKCBRN COc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccccc2F)C1=O ZINC000409333684 533339008 /nfs/dbraw/zinc/33/90/08/533339008.db2.gz VEHKTGDESPLWOV-UNOMPAQXSA-N 0 0 395.480 5.393 40 10 GKCBRN COc1cccc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)c1 ZINC000409339803 533387062 /nfs/dbraw/zinc/38/70/62/533387062.db2.gz YPPVSBOGTHYKDG-UYRXBGFRSA-N 0 0 377.490 5.254 40 10 GKCBRN COc1ccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000408752743 533430367 /nfs/dbraw/zinc/43/03/67/533430367.db2.gz GMAYGUPEPJEHLC-RCCKNPSSSA-N 0 0 388.854 5.183 40 10 GKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1C ZINC000409344472 533474110 /nfs/dbraw/zinc/47/41/10/533474110.db2.gz JKOPPGLJIKEDEM-SXGWCWSVSA-N 0 0 375.902 5.063 40 10 GKCBRN COc1cccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)c1 ZINC000408986003 533574859 /nfs/dbraw/zinc/57/48/59/533574859.db2.gz OKQDNRYGVVPPAY-XMHGGMMESA-N 0 0 387.866 5.820 40 10 GKCBRN COC(=O)COc1ccc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736153 533563860 /nfs/dbraw/zinc/56/38/60/533563860.db2.gz IOWCBYSQKPYSFH-DPLHUUCSSA-N 0 0 385.463 5.218 40 10 GKCBRN COc1cccc(NC(=O)c2ccc3nc4ccc5ccccc5c4nc3c2)c1 ZINC000408722124 533614861 /nfs/dbraw/zinc/61/48/61/533614861.db2.gz OUKAFDFXBUEVJV-UHFFFAOYSA-N 0 0 379.419 5.197 40 10 GKCBRN CCN1c2ccc(/C=C3/C(=O)N(c4ccccc4)N=C3C)cc2C(C)=CC1(C)C ZINC000208505968 136202737 /nfs/dbraw/zinc/20/27/37/136202737.db2.gz RDZDJRCLFUPFFY-PXLXIMEGSA-N 0 0 385.511 5.515 40 10 GKCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(C(C)C)C3=O)cc21 ZINC000208469100 136202759 /nfs/dbraw/zinc/20/27/59/136202759.db2.gz WDXSTKKHZYDHIY-IUXPMGMMSA-N 0 0 390.936 5.416 40 10 GKCBRN C[C@H]1CC(C)(C)N(C)c2ccc(C=C3SC(Nc4ccccc4)=NC3=O)cc21 ZINC000208199195 136202841 /nfs/dbraw/zinc/20/28/41/136202841.db2.gz JMLPHNAHDARKLX-HYTQYMIGSA-N 0 0 391.540 5.491 40 10 GKCBRN C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000217858649 136203483 /nfs/dbraw/zinc/20/34/83/136203483.db2.gz HLEXTUKPZQSOCD-RTBURBONSA-N 0 0 378.560 5.711 40 10 GKCBRN C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000217959975 136203502 /nfs/dbraw/zinc/20/35/02/136203502.db2.gz UTGVXJJJXQUXFW-PLDDMEKUSA-N 0 0 382.935 5.467 40 10 GKCBRN Cc1ccc(SCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000217977022 136203519 /nfs/dbraw/zinc/20/35/19/136203519.db2.gz PGWLVGVIGRYHGW-IBGZPJMESA-N 0 0 382.573 5.201 40 10 GKCBRN C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000217959745 136203532 /nfs/dbraw/zinc/20/35/32/136203532.db2.gz KJHWRZATLNFBEV-OPGJMIRHSA-N 0 0 382.935 5.467 40 10 GKCBRN Cc1ccccc1CSCC(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218016539 136203562 /nfs/dbraw/zinc/20/35/62/136203562.db2.gz CDHJHPJULYZBOS-QUCCMNQESA-N 0 0 396.600 5.342 40 10 GKCBRN C[C@@H](NC(=O)CSCc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218010081 136203566 /nfs/dbraw/zinc/20/35/66/136203566.db2.gz PNBXMQMHRAQTCD-RTBURBONSA-N 0 0 382.573 5.034 40 10 GKCBRN C[C@@H](NC(=O)CSCc1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218009892 136203578 /nfs/dbraw/zinc/20/35/78/136203578.db2.gz MLYDSYGJYSBTLN-LJQANCHMSA-N 0 0 382.573 5.034 40 10 GKCBRN Cc1ccc(SCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000217977286 136203606 /nfs/dbraw/zinc/20/36/06/136203606.db2.gz SXBUDLGAMJGUPD-RTBURBONSA-N 0 0 382.573 5.201 40 10 GKCBRN C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218165149 136203673 /nfs/dbraw/zinc/20/36/73/136203673.db2.gz ZGWXKTOHMCSPMQ-RTWAWAEBSA-N 0 0 398.550 6.081 40 10 GKCBRN Cc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218731236 136203841 /nfs/dbraw/zinc/20/38/41/136203841.db2.gz IKXXSVRXNLJJOQ-NRFANRHFSA-N 0 0 394.559 5.268 40 10 GKCBRN COc1cccc2cc(C(=O)N[C@@H](C)c3ccc(N4CCC(C)CC4)cc3)oc21 ZINC000218616544 136203850 /nfs/dbraw/zinc/20/38/50/136203850.db2.gz JPXRISOORWZPQU-KRWDZBQOSA-N 0 0 392.499 5.169 40 10 GKCBRN Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000219071695 136203990 /nfs/dbraw/zinc/20/39/90/136203990.db2.gz FAJAWXUTHWXWIW-GIVPXCGWSA-N 0 0 394.559 5.184 40 10 GKCBRN O=C(CC(c1ccccc1)c1ccccc1)NCc1ccc(N2CCCCC2)cc1 ZINC000219127918 136204003 /nfs/dbraw/zinc/20/40/03/136204003.db2.gz SQQMLKMAIUUXDA-UHFFFAOYSA-N 0 0 398.550 5.515 40 10 GKCBRN CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219313539 136204130 /nfs/dbraw/zinc/20/41/30/136204130.db2.gz IRWQDLNJUUGNOV-NFBKMPQASA-N 0 0 394.559 5.266 40 10 GKCBRN CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219317422 136204194 /nfs/dbraw/zinc/20/41/94/136204194.db2.gz KUJORZKNIFNSQZ-YKSBVNFPSA-N 0 0 394.559 5.266 40 10 GKCBRN Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C ZINC000219517545 136204259 /nfs/dbraw/zinc/20/42/59/136204259.db2.gz HVLHFYUXLCWRFS-SFTDATJTSA-N 0 0 394.559 5.184 40 10 GKCBRN Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C ZINC000219518009 136204264 /nfs/dbraw/zinc/20/42/64/136204264.db2.gz LNEIWOMEMSFWTF-UIFIKXQLSA-N 0 0 394.559 5.184 40 10 GKCBRN Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C ZINC000219517696 136204293 /nfs/dbraw/zinc/20/42/93/136204293.db2.gz HVLHFYUXLCWRFS-RTWAWAEBSA-N 0 0 394.559 5.184 40 10 GKCBRN Cc1cc(C)cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000219549122 136204310 /nfs/dbraw/zinc/20/43/10/136204310.db2.gz MCWSLYIZCGWAIR-LEWJYISDSA-N 0 0 394.559 5.184 40 10 GKCBRN CC(C)Oc1ccccc1C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219744488 136204468 /nfs/dbraw/zinc/20/44/68/136204468.db2.gz CQTPDHGBNGBBAP-RTBURBONSA-N 0 0 380.532 5.201 40 10 GKCBRN Cc1cccc(CSCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000222745194 136205051 /nfs/dbraw/zinc/20/50/51/136205051.db2.gz BXVUOOOBAQCEAC-WOJBJXKFSA-N 0 0 396.600 5.342 40 10 GKCBRN C[C@H](NC(=O)Oc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409000649 533705231 /nfs/dbraw/zinc/70/52/31/533705231.db2.gz FFXWJHYBUVFINO-VTXMHGDESA-N 0 0 388.427 5.218 40 10 GKCBRN Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000409199109 533727669 /nfs/dbraw/zinc/72/76/69/533727669.db2.gz NVGCWRKCORSUNT-WQRHYEAKSA-N 0 0 398.484 5.041 40 10 GKCBRN COc1cccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)c1OC ZINC000409161692 533759511 /nfs/dbraw/zinc/75/95/11/533759511.db2.gz YSAHFUIAGHKQFJ-FTLABTOESA-N 0 0 376.283 5.837 40 10 GKCBRN COc1cccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@@H]3C=CC[C@H]32)c1OC ZINC000409162014 533760215 /nfs/dbraw/zinc/76/02/15/533760215.db2.gz BYZMBAHJHOSACV-SEDUGSJDSA-N 0 0 376.283 5.837 40 10 GKCBRN COc1cccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1OC ZINC000409160387 533760488 /nfs/dbraw/zinc/76/04/88/533760488.db2.gz WSHKHIDHOMFGDW-OHUGHZGNSA-N 0 0 383.491 6.197 40 10 GKCBRN Cc1cc(Cl)cc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000409163722 533772171 /nfs/dbraw/zinc/77/21/71/533772171.db2.gz WWVFZBZYFRIMLX-TYILLQQXSA-N 0 0 375.255 6.037 40 10 GKCBRN COc1ccc(Cl)c2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 ZINC000409156320 533831152 /nfs/dbraw/zinc/83/11/52/533831152.db2.gz NSJPYJANTHAZFL-QWQRMKEZSA-N 0 0 390.708 5.938 40 10 GKCBRN COc1ccccc1/C=C1/N=C(c2cccc(C)c2)N(c2ccc(C)cc2)C1=O ZINC000408754150 533953077 /nfs/dbraw/zinc/95/30/77/533953077.db2.gz PPIKOASKQMTHJG-CJLVFECKSA-N 0 0 382.463 5.147 40 10 GKCBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1 ZINC000408983879 533993477 /nfs/dbraw/zinc/99/34/77/533993477.db2.gz DTQOLYLCRSQHIS-XDJHFCHBSA-N 0 0 387.866 5.820 40 10 GKCBRN COc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1Cl ZINC000409329283 533993638 /nfs/dbraw/zinc/99/36/38/533993638.db2.gz DFHSWIGFCGABCD-WIXUPIFPSA-N 0 0 387.913 5.311 40 10 GKCBRN COc1ccc(N2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)cc1Cl ZINC000409329282 533994646 /nfs/dbraw/zinc/99/46/46/533994646.db2.gz DFHSWIGFCGABCD-NPFCYVKHSA-N 0 0 387.913 5.311 40 10 GKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000409171165 534064415 /nfs/dbraw/zinc/06/44/15/534064415.db2.gz YJLGMDIJSHENQU-CKNLXJGOSA-N 0 0 388.294 5.915 40 10 GKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000409176018 534065081 /nfs/dbraw/zinc/06/50/81/534065081.db2.gz XBGALPFINBQSCD-ARGWCVDVSA-N 0 0 398.846 5.170 40 10 GKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000409151621 534065179 /nfs/dbraw/zinc/06/51/79/534065179.db2.gz IAXUJNZTYJKWOR-UVARLRKDSA-N 0 0 388.294 5.915 40 10 GKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000409176019 534065595 /nfs/dbraw/zinc/06/55/95/534065595.db2.gz XBGALPFINBQSCD-CKNLXJGOSA-N 0 0 398.846 5.170 40 10 GKCBRN COc1ccccc1N1C(=O)/C(=C\c2ccccc2OCC(C)C)SC1=S ZINC000408600148 534129489 /nfs/dbraw/zinc/12/94/89/534129489.db2.gz VVEBFCZKFJTQNR-XDHOZWIPSA-N 0 0 399.537 5.136 40 10 GKCBRN COc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(C)C)cc2)SC1=S ZINC000409328741 534130536 /nfs/dbraw/zinc/13/05/36/534130536.db2.gz ANTJEJRUDHARBT-UNOMPAQXSA-N 0 0 399.537 5.136 40 10 GKCBRN COc1ccc(OC)c(/C=C2\C=C(c3ccc(-c4ccccc4)cc3)OC2=O)c1 ZINC000409060148 534223356 /nfs/dbraw/zinc/22/33/56/534223356.db2.gz XWBFJFGYPDKMFS-KGENOOAVSA-N 0 0 384.431 5.352 40 10 GKCBRN Cc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)s1 ZINC000409341808 534247985 /nfs/dbraw/zinc/24/79/85/534247985.db2.gz BXGONUCKWQKBLF-MDWZMJQESA-N 0 0 396.356 5.225 40 10 GKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(C(C)(C)C)cc1)[C@H]1CC=C[C@@H]21 ZINC000409157733 534250017 /nfs/dbraw/zinc/25/00/17/534250017.db2.gz QFSNWSHGYCTNSQ-ZRCGQRJVSA-N 0 0 375.512 5.906 40 10 GKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 ZINC000409154777 534251179 /nfs/dbraw/zinc/25/11/79/534251179.db2.gz PUVYABRNZRSANM-JZKQVHKSSA-N 0 0 388.294 5.915 40 10 GKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc31)N2 ZINC000409156346 534419459 /nfs/dbraw/zinc/41/94/59/534419459.db2.gz NNLBSDYVTDXORS-KUDFPVQQSA-N 0 0 399.843 7.339 40 10 GKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000409172338 534419763 /nfs/dbraw/zinc/41/97/63/534419763.db2.gz COKITBRWQGBWJV-XNJGSVPQSA-N 0 0 384.228 6.839 40 10 GKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000409156339 534419917 /nfs/dbraw/zinc/41/99/17/534419917.db2.gz FHIDMQOXOACHPP-AGKHESDQSA-N 0 0 384.228 6.839 40 10 GKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000409163213 534420011 /nfs/dbraw/zinc/42/00/11/534420011.db2.gz NQEOOSDZVOGYQB-XNJGSVPQSA-N 0 0 384.228 6.839 40 10 GKCBRN Cc1ccsc1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O ZINC000409204813 534456539 /nfs/dbraw/zinc/45/65/39/534456539.db2.gz KWDYXUJBWGWGDY-MDWZMJQESA-N 0 0 396.356 5.225 40 10 GKCBRN Cc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)n1 ZINC000409328934 534575585 /nfs/dbraw/zinc/57/55/85/534575585.db2.gz ASQCQGXWGBBQDA-ZSOIEALJSA-N 0 0 381.309 5.103 40 10 GKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@H]21 ZINC000409166399 534630767 /nfs/dbraw/zinc/63/07/67/534630767.db2.gz DPCNUKCUJXGREI-OAVHHTNSSA-N 0 0 385.121 7.127 40 10 GKCBRN Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000408736636 534630842 /nfs/dbraw/zinc/63/08/42/534630842.db2.gz YGKMMSPMHIGMCG-PEBVRCNWSA-N 0 0 385.121 7.127 40 10 GKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000409166396 534630870 /nfs/dbraw/zinc/63/08/70/534630870.db2.gz DPCNUKCUJXGREI-FTLABTOESA-N 0 0 385.121 7.127 40 10 GKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21 ZINC000409165480 534630927 /nfs/dbraw/zinc/63/09/27/534630927.db2.gz YOQWQHIDDZPAFB-SOZUMNATSA-N 0 0 395.127 6.582 40 10 GKCBRN Clc1ccc(-c2csc(/N=N/Cc3c(Cl)cccc3Cl)n2)cc1 ZINC000408718411 534635025 /nfs/dbraw/zinc/63/50/25/534635025.db2.gz MUFIDOCNNUWFPG-LSDHQDQOSA-N 0 0 382.703 7.054 40 10 GKCBRN Cc1ccccc1-n1cccc1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000408963275 534792507 /nfs/dbraw/zinc/79/25/07/534792507.db2.gz YPZZDTZNFUVBBX-XMHGGMMESA-N 0 0 376.506 5.192 40 10 GKCBRN O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccc(Cl)cc1Cl ZINC000408723493 534803651 /nfs/dbraw/zinc/80/36/51/534803651.db2.gz VTKARZIPICHHEP-GHXNOFRVSA-N 0 0 396.067 5.737 40 10 GKCBRN Cc1ccccc1N1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)SC1=S ZINC000409340499 534821544 /nfs/dbraw/zinc/82/15/44/534821544.db2.gz YEYWCUDPGKQQIL-GDNBJRDFSA-N 0 0 379.428 5.420 40 10 GKCBRN O=C1S/C(=C/c2ccc(N3CCCC3)cc2F)C(=O)N1CC1CCCCC1 ZINC000409132735 534823591 /nfs/dbraw/zinc/82/35/91/534823591.db2.gz KQNCWCGZWMUHEA-XDHOZWIPSA-N 0 0 388.508 5.043 40 10 GKCBRN O=C1S/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409189978 534823815 /nfs/dbraw/zinc/82/38/15/534823815.db2.gz OYEJBVUJNTYWTF-XMHGGMMESA-N 0 0 398.915 5.571 40 10 GKCBRN O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409188726 534823932 /nfs/dbraw/zinc/82/39/32/534823932.db2.gz FTGSRBUKVXQRHF-QGOAFFKASA-N 0 0 384.888 5.181 40 10 GKCBRN CC(C)(C)c1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409168976 526791574 /nfs/dbraw/zinc/79/15/74/526791574.db2.gz OMMJERWJWCHGRA-GUXCAODWSA-N 0 0 382.891 6.372 40 10 GKCBRN CC(C)c1ccc(/C=C2\C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc1 ZINC000409054603 528056857 /nfs/dbraw/zinc/05/68/57/528056857.db2.gz UBNDPUMKWIPZOQ-CJLVFECKSA-N 0 0 382.459 6.584 40 10 GKCBRN CC(C)c1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1 ZINC000408984977 528108514 /nfs/dbraw/zinc/10/85/14/528108514.db2.gz JVHBBPWNANPERK-CJLVFECKSA-N 0 0 399.921 6.935 40 10 GKCBRN CC(C)c1ccc([C@@H](CC(=O)C(C)(C)C)C2C(=O)c3ccccc3C2=O)cc1 ZINC000105419088 528130439 /nfs/dbraw/zinc/13/04/39/528130439.db2.gz ZMMNLPFHWFWHFQ-HXUWFJFHSA-N 0 0 376.496 5.594 40 10 GKCBRN CC(C)COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000409333791 528141777 /nfs/dbraw/zinc/14/17/77/528141777.db2.gz WCOVCCBYTJETHB-XDHOZWIPSA-N 0 0 383.538 5.123 40 10 GKCBRN CC(C)COc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1 ZINC000409334906 528142482 /nfs/dbraw/zinc/14/24/82/528142482.db2.gz YDHUNSWHQLTWNJ-WOJGMQOQSA-N 0 0 387.501 5.266 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000100148104 528149724 /nfs/dbraw/zinc/14/97/24/528149724.db2.gz RHQRIGWRWXCSRV-ATVHPVEESA-N 0 0 380.806 5.545 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1c2ccccc2c(C)c2ccccc12 ZINC000408996979 528150128 /nfs/dbraw/zinc/15/01/28/528150128.db2.gz KWDDWDWOPCNIKB-LFVJCYFKSA-N 0 0 376.459 6.108 40 10 GKCBRN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNC(C)(C)C ZINC000408530920 528150480 /nfs/dbraw/zinc/15/04/80/528150480.db2.gz JVUSBDVUMFSVMN-JCMHNJIXSA-N 0 0 391.559 5.149 40 10 GKCBRN CC(C)COc1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736182 528163857 /nfs/dbraw/zinc/16/38/57/528163857.db2.gz KASANDJCPGQTSD-WWMYMODYSA-N 0 0 388.338 6.855 40 10 GKCBRN CCOc1c(Cl)cc(Cl)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C ZINC000409055560 528173304 /nfs/dbraw/zinc/17/33/04/528173304.db2.gz JESZNBBKYXAMFW-MHWRWJLKSA-N 0 0 375.255 5.198 40 10 GKCBRN CC(C)COc1ccccc1/C=C1\SC(=S)N(c2ccccc2F)C1=O ZINC000408600020 528180494 /nfs/dbraw/zinc/18/04/94/528180494.db2.gz RDKAUBPKSRVRMJ-WQRHYEAKSA-N 0 0 387.501 5.266 40 10 GKCBRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OC(C)C ZINC000408905167 528194934 /nfs/dbraw/zinc/19/49/34/528194934.db2.gz UOEHDAFKORVLRK-WOJGMQOQSA-N 0 0 398.890 5.332 40 10 GKCBRN CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)cc1 ZINC000408901443 528359299 /nfs/dbraw/zinc/35/92/99/528359299.db2.gz FFAWPWKCJYCJBM-LFVJCYFKSA-N 0 0 399.494 5.299 40 10 GKCBRN CCOc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccccc3)C2=O)cc1 ZINC000408766169 528367910 /nfs/dbraw/zinc/36/79/10/528367910.db2.gz PLQOVVLRVLHAGH-CJLVFECKSA-N 0 0 386.426 5.059 40 10 GKCBRN CCOc1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc1 ZINC000409332817 528369979 /nfs/dbraw/zinc/36/99/79/528369979.db2.gz RYPSTDNQLVSCFG-GZTJUZNOSA-N 0 0 387.551 5.213 40 10 GKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000408987402 528370577 /nfs/dbraw/zinc/37/05/77/528370577.db2.gz XKVHHAUMHOBWOO-PTGBLXJZSA-N 0 0 395.502 6.119 40 10 GKCBRN CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1OCC ZINC000409329653 528370722 /nfs/dbraw/zinc/37/07/22/528370722.db2.gz HCIUWPIACKABHH-UYRXBGFRSA-N 0 0 399.537 5.198 40 10 GKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3O)C2=O)cc1 ZINC000408985394 528370923 /nfs/dbraw/zinc/37/09/23/528370923.db2.gz LTNUWEJBBSCUAU-CAPFRKAQSA-N 0 0 383.447 5.262 40 10 GKCBRN CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(C2CCCCC2)C1=O ZINC000409345327 528471323 /nfs/dbraw/zinc/47/13/23/528471323.db2.gz LMHKZLLRSOGBGT-WJDWOHSUSA-N 0 0 381.950 5.273 40 10 GKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2ccccc2)cc1 ZINC000408846603 528482760 /nfs/dbraw/zinc/48/27/60/528482760.db2.gz UDKWJTXWXYPOGA-HAVVHWLPSA-N 0 0 382.463 5.228 40 10 GKCBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)cc3)SC2=S)cc1 ZINC000409338966 528483061 /nfs/dbraw/zinc/48/30/61/528483061.db2.gz REFDMTBOMYBNNZ-UYRXBGFRSA-N 0 0 399.537 5.278 40 10 GKCBRN CC(C)n1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000409334131 528544698 /nfs/dbraw/zinc/54/46/98/528544698.db2.gz UEUWIEVNXFFEGZ-ODLFYWEKSA-N 0 0 396.512 5.767 40 10 GKCBRN CCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000409084116 528640766 /nfs/dbraw/zinc/64/07/66/528640766.db2.gz PGEDGDJTITYQHX-NKFKGCMQSA-N 0 0 382.463 5.310 40 10 GKCBRN CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000409332353 528641330 /nfs/dbraw/zinc/64/13/30/528641330.db2.gz QVVPCMBDQDAKPW-CPNJWEJPSA-N 0 0 383.538 5.498 40 10 GKCBRN CC(C)Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000409141250 528697686 /nfs/dbraw/zinc/69/76/86/528697686.db2.gz HIZFPZYMXWCTHO-GRSHGNNSSA-N 0 0 396.537 5.292 40 10 GKCBRN CCCOc1ccc2ccccc2c1/C=C1/C(=O)N(C(=O)c2ccccc2)N=C1C ZINC000408939435 528731246 /nfs/dbraw/zinc/73/12/46/528731246.db2.gz MNWHHLACQRUUFK-LTGZKZEYSA-N 0 0 398.462 5.071 40 10 GKCBRN CCCOc1ccccc1/C=C1\SC(=S)N(c2ccc(C)cc2C)C1=O ZINC000408602430 528767251 /nfs/dbraw/zinc/76/72/51/528767251.db2.gz NOMSTUQCZNICIK-UYRXBGFRSA-N 0 0 383.538 5.498 40 10 GKCBRN CCN1C(=O)/C(=C\c2cn(Cc3cccc(F)c3)c3ccccc23)c2ccccc21 ZINC000409110277 528946066 /nfs/dbraw/zinc/94/60/66/528946066.db2.gz AUNVTISLFNRULJ-HAHDFKILSA-N 0 0 396.465 5.736 40 10 GKCBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000409338997 529191755 /nfs/dbraw/zinc/19/17/55/529191755.db2.gz CZDUVIFGSZGZON-FHXOWUIVSA-N 0 0 387.501 5.409 40 10 GKCBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000409343249 529192127 /nfs/dbraw/zinc/19/21/27/529192127.db2.gz DEKAIEFUEGGCNQ-RAOBZKRQSA-N 0 0 375.559 5.398 40 10 GKCBRN CC[C@H](C)Oc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000409343361 529197258 /nfs/dbraw/zinc/19/72/58/529197258.db2.gz GOJQWJYXENDZCC-CCNLRRDASA-N 0 0 383.538 5.265 40 10 GKCBRN CC[C@H](C)Oc1ccccc1/C=C1\SC(=S)N(C2CCCCC2)C1=O ZINC000409329676 529197392 /nfs/dbraw/zinc/19/73/92/529197392.db2.gz HLNWFBURVZSDGV-RVAQLADHSA-N 0 0 375.559 5.398 40 10 GKCBRN CC[C@H](C)n1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc21 ZINC000408903234 529285013 /nfs/dbraw/zinc/28/50/13/529285013.db2.gz WCIHPPHVDXNFPE-NPRIEWAGSA-N 0 0 392.549 6.018 40 10 GKCBRN CC[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O ZINC000409013135 529349830 /nfs/dbraw/zinc/34/98/30/529349830.db2.gz SYMMZVKIIRCFMR-OTWJJXBCSA-N 0 0 388.920 5.582 40 10 GKCBRN CCCN1C(=O)S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C1=O ZINC000223565395 535346459 /nfs/dbraw/zinc/34/64/59/535346459.db2.gz BWUWLEBKPAHUFT-CCRNYGKSSA-N 0 0 386.561 5.634 40 10 GKCBRN CCCN1C(=O)S/C(=C\c2cc3c(cc2C)N(CC)C(C)(C)C[C@@H]3C)C1=O ZINC000208326885 535347206 /nfs/dbraw/zinc/34/72/06/535347206.db2.gz AKEAFHGXZHPJPX-CCRNYGKSSA-N 0 0 386.561 5.553 40 10 GKCBRN CCN1C(=O)S/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)C1=O ZINC000208468850 535435978 /nfs/dbraw/zinc/43/59/78/535435978.db2.gz CGLHMNAYQHDHTD-PXNMLYILSA-N 0 0 376.909 5.028 40 10 GKCBRN CCN1c2cc(C)c(/C=C3\SC(=O)N(C(C)C)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223584750 535785187 /nfs/dbraw/zinc/78/51/87/535785187.db2.gz GVYDSQDGOOVBSP-VUQQOUJSSA-N 0 0 386.561 5.552 40 10 GKCBRN CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219595650 535817827 /nfs/dbraw/zinc/81/78/27/535817827.db2.gz CAWAOBYYIJPRTC-YOSAUDMPSA-N 0 0 394.559 5.266 40 10 GKCBRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219327555 535817859 /nfs/dbraw/zinc/81/78/59/535817859.db2.gz RTIHKHIOMMFQCB-IEGUWTFLSA-N 0 0 398.522 5.097 40 10 GKCBRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219327495 535817975 /nfs/dbraw/zinc/81/79/75/535817975.db2.gz KWUXKEXPMUJHGU-WZONZLPQSA-N 0 0 398.522 5.097 40 10 GKCBRN CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219294855 535971852 /nfs/dbraw/zinc/97/18/52/535971852.db2.gz QSAQRTIOYRFTKV-PMACEKPBSA-N 0 0 394.559 5.130 40 10 GKCBRN CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219327518 536047246 /nfs/dbraw/zinc/04/72/46/536047246.db2.gz KWUXKEXPMUJHGU-JPYJTQIMSA-N 0 0 398.522 5.097 40 10 GKCBRN CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219313706 536050525 /nfs/dbraw/zinc/05/05/25/536050525.db2.gz WNHQXWYJHJSHRQ-XQFWAAQXSA-N 0 0 394.559 5.266 40 10 GKCBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2)N1c1ccccn1 ZINC000005556568 570263112 /nfs/dbraw/zinc/26/31/12/570263112.db2.gz SXOKEZARMGVJCC-LDADJPATSA-N 0 0 394.261 5.223 40 10 GKCBRN CC(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc(N=Nc3ccccc3)cc2)cc1 ZINC000005658967 570272552 /nfs/dbraw/zinc/27/25/52/570272552.db2.gz SISKQKLCJJHNAP-ZGKJFVQXSA-N 0 0 386.455 5.744 40 10 GKCBRN Clc1cccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)c1Cl ZINC000020711480 570281193 /nfs/dbraw/zinc/28/11/93/570281193.db2.gz UHZJNYOFMCHPDH-CZIZLABSSA-N 0 0 395.127 6.582 40 10 GKCBRN Cc1cccc(N=Nc2ccc(NN=C3C(=O)C=Cc4ccccc43)cc2C)c1 ZINC000104187917 570298749 /nfs/dbraw/zinc/29/87/49/570298749.db2.gz NHXXLZBKTKNTEF-LBXGSASVSA-N 0 0 380.451 7.993 40 10 GKCBRN Cc1ccc(C)n1-c1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000003009631 570299662 /nfs/dbraw/zinc/29/96/62/570299662.db2.gz HDIHUWTYNNREPY-UHFFFAOYSA-N 0 0 396.490 5.925 40 10 GKCBRN CCOc1c(/N=N\c2cccc(Cl)c2)c(-c2ccccc2)nn1C(N)=S ZINC000104231029 570299887 /nfs/dbraw/zinc/29/98/87/570299887.db2.gz RRHOSVXBCCKFCJ-DQRAZIAOSA-N 0 0 385.880 5.109 40 10 GKCBRN Cc1ccccc1N=Nc1ccc(NN=C2C=CC(=O)c3ccccc32)c(C)c1 ZINC000104389475 570302523 /nfs/dbraw/zinc/30/25/23/570302523.db2.gz NRXZKGUYCKGZKF-LYJPHZJBSA-N 0 0 380.451 7.993 40 10 GKCBRN CN(C)c1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2c2ccccc2)cc1 ZINC000003851818 570352537 /nfs/dbraw/zinc/35/25/37/570352537.db2.gz OCVNTBFZSZJJJS-HHHXNRCGSA-N 0 0 391.518 6.262 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccc(F)cc2)cc1 ZINC000408754753 570393073 /nfs/dbraw/zinc/39/30/73/570393073.db2.gz IBLMCOFEZLUCMH-KGENOOAVSA-N 0 0 390.845 5.622 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccccc2)cc1 ZINC000408755034 570393386 /nfs/dbraw/zinc/39/33/86/570393386.db2.gz TUFNLAMSBXRHQF-XIEYBQDHSA-N 0 0 388.470 5.983 40 10 GKCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000408755800 570393655 /nfs/dbraw/zinc/39/36/55/570393655.db2.gz PKMPXQCZNRJRQR-DEDYPNTBSA-N 0 0 394.808 5.453 40 10 GKCBRN O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccc(F)cc2)N1c1ccccc1 ZINC000408756450 570393919 /nfs/dbraw/zinc/39/39/19/570393919.db2.gz RZDXWSHKDTXGHL-XSFVSMFZSA-N 0 0 376.818 5.314 40 10 GKCBRN COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 ZINC000408756408 570394007 /nfs/dbraw/zinc/39/40/07/570394007.db2.gz RSHIEXRXHWUNEH-RCCKNPSSSA-N 0 0 388.854 5.183 40 10 GKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccc(F)cc2)cc1 ZINC000408760766 570396725 /nfs/dbraw/zinc/39/67/25/570396725.db2.gz FQRBLZCDBABQDN-XSFVSMFZSA-N 0 0 392.455 5.120 40 10 GKCBRN COc1cccc(/C=C2/N=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408759746 570397877 /nfs/dbraw/zinc/39/78/77/570397877.db2.gz KTPWFHPQCZFOAB-RCCKNPSSSA-N 0 0 388.854 5.183 40 10 GKCBRN COc1ccc(NC(=O)CNc2ccc(C)cc2/N=N/c2ccc(C)cc2)cc1 ZINC000102993686 570416895 /nfs/dbraw/zinc/41/68/95/570416895.db2.gz RKTAJMYPVVVFQC-CYYJNZCTSA-N 0 0 388.471 5.778 40 10 GKCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccc1 ZINC000222611508 570416927 /nfs/dbraw/zinc/41/69/27/570416927.db2.gz WXSYUWDJCFGFQK-WQTXXOFMSA-N 0 0 388.540 5.078 40 10 GKCBRN CS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3cc(Cl)ccc32)cc1 ZINC000005008943 570423586 /nfs/dbraw/zinc/42/35/86/570423586.db2.gz IXNKQDSRADETAL-UHFFFAOYSA-N 0 0 397.887 5.157 40 10 GKCBRN Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(C(C)(C)C)C2=O)cc1 ZINC000005371427 570435515 /nfs/dbraw/zinc/43/55/15/570435515.db2.gz NJBTZRKMWXCTKN-UYRXBGFRSA-N 0 0 397.565 5.574 40 10 GKCBRN Cc1ccc(C)c(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)c1 ZINC000005371930 570435617 /nfs/dbraw/zinc/43/56/17/570435617.db2.gz QWQOFGDDHRAHFL-SXGWCWSVSA-N 0 0 394.348 6.016 40 10 GKCBRN CCCCc1ccc(NC2=NC(=O)C(=Cc3c(F)cccc3Cl)S2)cc1 ZINC000005520351 570443992 /nfs/dbraw/zinc/44/39/92/570443992.db2.gz SFYCPNFEKJNDCS-PDGQHHTCSA-N 0 0 388.895 5.904 40 10 GKCBRN CCc1ccc(C=C2SC(Nc3ccc(N(CC)CC)cc3)=NC2=O)cc1 ZINC000005520065 570444011 /nfs/dbraw/zinc/44/40/11/570444011.db2.gz LPBFIYKAFUCXGB-HKWRFOASSA-N 0 0 379.529 5.178 40 10 GKCBRN CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)c2nc3ccccc3s2)cc1 ZINC000005549573 570445057 /nfs/dbraw/zinc/44/50/57/570445057.db2.gz JLVHXJPVRLFKKM-PGMHBOJBSA-N 0 0 399.519 5.290 40 10 GKCBRN CCCCc1ccc(N2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)cc1 ZINC000005551966 570445491 /nfs/dbraw/zinc/44/54/91/570445491.db2.gz FYFQYZDAWMHKKG-AMQBKCJUSA-N 0 0 393.577 6.381 40 10 GKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)cc1 ZINC000005551872 570445550 /nfs/dbraw/zinc/44/55/50/570445550.db2.gz QWROWEUNZUOPPD-AQTBWJFISA-N 0 0 387.957 6.088 40 10 GKCBRN O=C1/C(=C/c2ccc(Cl)cc2Cl)N=C(c2ccccc2)N1c1ccccc1 ZINC000005602646 570448808 /nfs/dbraw/zinc/44/88/08/570448808.db2.gz VWMLAFZTXGMZKW-MOSHPQCFSA-N 0 0 393.273 5.828 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccccc2F)cc1 ZINC000408758619 570454804 /nfs/dbraw/zinc/45/48/04/570454804.db2.gz NWABBOWKZLGCHA-KGENOOAVSA-N 0 0 390.845 5.622 40 10 GKCBRN O=C(c1ccc(Cl)cc1)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000005750177 570455591 /nfs/dbraw/zinc/45/55/91/570455591.db2.gz XEDQPSLCXLEDGV-ZROIWOOFSA-N 0 0 394.304 5.035 40 10 GKCBRN CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000005861834 570459272 /nfs/dbraw/zinc/45/92/72/570459272.db2.gz AQXIUGTZHPXZQG-RGEXLXHISA-N 0 0 399.537 5.280 40 10 GKCBRN CCOc1ccccc1N1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S ZINC000005960309 570463517 /nfs/dbraw/zinc/46/35/17/570463517.db2.gz DUCNHXXEIROKAX-OIXOFKMYSA-N 0 0 381.522 5.437 40 10 GKCBRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000223432497 570465625 /nfs/dbraw/zinc/46/56/25/570465625.db2.gz HLCZQDXGIYEPFF-QHCPKHFHSA-N 0 0 390.527 5.160 40 10 GKCBRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000223432461 570465821 /nfs/dbraw/zinc/46/58/21/570465821.db2.gz HLCZQDXGIYEPFF-HSZRJFAPSA-N 0 0 390.527 5.160 40 10 GKCBRN O=C1/C(=C\c2ccco2)N=C(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000408761433 570470755 /nfs/dbraw/zinc/47/07/55/570470755.db2.gz KDWBPMDIKGNDOW-LDADJPATSA-N 0 0 383.234 5.421 40 10 GKCBRN Cc1ccccc1N1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S ZINC000006206521 570471883 /nfs/dbraw/zinc/47/18/83/570471883.db2.gz QVYHJRJVWVAZNN-OQLLNIDSSA-N 0 0 380.321 5.708 40 10 GKCBRN Cc1ccc(NC2=NC(=O)C(=Cc3ccc(-c4cccc(Cl)c4)o3)S2)cc1 ZINC000006400924 570479019 /nfs/dbraw/zinc/47/90/19/570479019.db2.gz JNSGUJLZQTZVGY-XDHOZWIPSA-N 0 0 394.883 5.991 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C/c3c(F)cccc3Cl)SC2=S)c1C ZINC000006815998 570494969 /nfs/dbraw/zinc/49/49/69/570494969.db2.gz KZEKGVRIXAWOMP-SXGWCWSVSA-N 0 0 377.893 5.502 40 10 GKCBRN Cc1ccc(COc2ccc(/C=C3\SC(N4CCCCC4)=NC3=O)cc2)cc1 ZINC000006841149 570496703 /nfs/dbraw/zinc/49/67/03/570496703.db2.gz VEZRMZMMDZOQTN-QNGOZBTKSA-N 0 0 392.524 5.030 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cc(C)cc(C)c1 ZINC000408937299 570510367 /nfs/dbraw/zinc/51/03/67/570510367.db2.gz IRWXCZZSANDSFL-LFVJCYFKSA-N 0 0 396.490 5.689 40 10 GKCBRN C[C@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000224735151 570527850 /nfs/dbraw/zinc/52/78/50/570527850.db2.gz GDTWMMSWQVBPQL-FQEVSTJZSA-N 0 0 376.544 5.366 40 10 GKCBRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000225059566 570545800 /nfs/dbraw/zinc/54/58/00/570545800.db2.gz SHXNVZNDKMUYTP-DEOSSOPVSA-N 0 0 390.527 5.160 40 10 GKCBRN O=C1/C(=C/c2ccc(-c3ccccc3)cc2)SC(=S)N1c1ccc(F)cc1 ZINC000009188534 570551297 /nfs/dbraw/zinc/55/12/97/570551297.db2.gz OLJLHILWPKEUSD-ZHZULCJRSA-N 0 0 391.492 5.899 40 10 GKCBRN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC3CSC3)cc1)N2 ZINC000036080671 570554202 /nfs/dbraw/zinc/55/42/02/570554202.db2.gz SWABXVNYAHASLH-QTEQDKRBSA-N 0 0 377.509 5.210 40 10 GKCBRN C[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225309510 570563733 /nfs/dbraw/zinc/56/37/33/570563733.db2.gz GMYSUNXBQLEEFT-MSOLQXFVSA-N 0 0 384.951 5.386 40 10 GKCBRN O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccc(N2CCCCC2)cc1 ZINC000225330279 570564879 /nfs/dbraw/zinc/56/48/79/570564879.db2.gz AUVDKMPSYOIHHV-UHFFFAOYSA-N 0 0 391.342 5.233 40 10 GKCBRN C[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225632885 570596597 /nfs/dbraw/zinc/59/65/97/570596597.db2.gz LBMFPNNLHDUQRU-MOPGFXCFSA-N 0 0 376.544 5.293 40 10 GKCBRN COc1cc(C)c(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1C(C)C ZINC000225661738 570599577 /nfs/dbraw/zinc/59/95/77/570599577.db2.gz QDYZZAJVMPFTBG-UHFFFAOYSA-N 0 0 380.532 5.047 40 10 GKCBRN Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1Cl ZINC000225663941 570599582 /nfs/dbraw/zinc/59/95/82/570599582.db2.gz PMMOTSHVEMSUJJ-MRXNPFEDSA-N 0 0 387.980 5.686 40 10 GKCBRN CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000225668114 570600501 /nfs/dbraw/zinc/60/05/01/570600501.db2.gz NERJCGHVTOEBHL-MSOLQXFVSA-N 0 0 397.588 5.369 40 10 GKCBRN CCOc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000225668143 570600585 /nfs/dbraw/zinc/60/05/85/570600585.db2.gz NERJCGHVTOEBHL-QZTJIDSGSA-N 0 0 397.588 5.369 40 10 GKCBRN C[C@@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225669339 570600593 /nfs/dbraw/zinc/60/05/93/570600593.db2.gz GMTCVYLYNVFJKJ-HUUCEWRRSA-N 0 0 389.515 5.249 40 10 GKCBRN C[C@@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225667624 570600657 /nfs/dbraw/zinc/60/06/57/570600657.db2.gz NSUBMWXBTUCCKX-HZPDHXFCSA-N 0 0 387.980 5.624 40 10 GKCBRN Cc1ccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1Cl ZINC000225690363 570603745 /nfs/dbraw/zinc/60/37/45/570603745.db2.gz TZPVMGPUXGJQIC-OAHLLOKOSA-N 0 0 387.980 5.371 40 10 GKCBRN CCN(CC)c1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000225690403 570603805 /nfs/dbraw/zinc/60/38/05/570603805.db2.gz SADHWPLTKYJCCC-XYOKQWHBSA-N 0 0 377.315 5.169 40 10 GKCBRN COc1cc(OC)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000004151392 570619085 /nfs/dbraw/zinc/61/90/85/570619085.db2.gz ZTIUKDUSOARIJB-BXWFABGCSA-N 0 0 386.289 5.293 40 10 GKCBRN Cc1ccc(C2=C/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)O2)cc1 ZINC000083317652 570629126 /nfs/dbraw/zinc/62/91/26/570629126.db2.gz ZYVONBXCMJWVDH-XNTDXEJSSA-N 0 0 397.257 6.543 40 10 GKCBRN FC(F)(F)c1ccccc1[C@H]1Nc2c(Cl)c(Cl)ccc2[C@@H]2C=CC[C@H]21 ZINC000004721957 570632091 /nfs/dbraw/zinc/63/20/91/570632091.db2.gz QYSMKNMMLMUFOC-AGKHESDQSA-N 0 0 384.228 6.839 40 10 GKCBRN FC(F)(F)c1ccccc1[C@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@H]21 ZINC000004721954 570632171 /nfs/dbraw/zinc/63/21/71/570632171.db2.gz LGCZLAYBUUQHRC-AGKHESDQSA-N 0 0 384.228 6.839 40 10 GKCBRN Cc1cn(-c2ccccc2)c(C)c1/C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000004798178 570633031 /nfs/dbraw/zinc/63/30/31/570633031.db2.gz LLPWPIODYYUJKG-MOSHPQCFSA-N 0 0 390.533 5.500 40 10 GKCBRN O=C(Nc1ccccc1)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000004713407 570636671 /nfs/dbraw/zinc/63/66/71/570636671.db2.gz FFKQTBHRMAKCBR-UHFFFAOYSA-N 0 0 399.453 6.342 40 10 GKCBRN Cc1cc(CN(C)C(=O)c2ccc3nc(Cl)oc3c2)c(C)n1-c1ccccc1 ZINC000225985788 570638030 /nfs/dbraw/zinc/63/80/30/570638030.db2.gz QAFKNNBJYPIUHR-UHFFFAOYSA-N 0 0 393.874 5.161 40 10 GKCBRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000044883208 570638510 /nfs/dbraw/zinc/63/85/10/570638510.db2.gz VNMPRVLRTXRJTE-HXUWFJFHSA-N 0 0 388.964 5.127 40 10 GKCBRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000044883205 570638665 /nfs/dbraw/zinc/63/86/65/570638665.db2.gz VNMPRVLRTXRJTE-FQEVSTJZSA-N 0 0 388.964 5.127 40 10 GKCBRN O=[N+]([O-])c1cccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)c1 ZINC000058851351 570648292 /nfs/dbraw/zinc/64/82/92/570648292.db2.gz JIZYZAHPRYFALR-PEBVRCNWSA-N 0 0 395.673 6.382 40 10 GKCBRN Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccncc3)N4)sc2c1 ZINC000058851039 570648303 /nfs/dbraw/zinc/64/83/03/570648303.db2.gz VIBMBOSBWCSOQB-IMWIBFENSA-N 0 0 395.531 6.493 40 10 GKCBRN COc1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000058851321 570648376 /nfs/dbraw/zinc/64/83/76/570648376.db2.gz WVKXJMHIFCHAEL-VBHSOAQHSA-N 0 0 380.702 6.482 40 10 GKCBRN Clc1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000058851275 570648382 /nfs/dbraw/zinc/64/83/82/570648382.db2.gz IDUSCCYQHLCIAL-PEBVRCNWSA-N 0 0 385.121 7.127 40 10 GKCBRN Cc1ccc(COc2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000058928512 570649172 /nfs/dbraw/zinc/64/91/72/570649172.db2.gz TWPGDIAQLRICGY-DXBVXKBHSA-N 0 0 381.519 6.709 40 10 GKCBRN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2 ZINC000058929108 570649277 /nfs/dbraw/zinc/64/92/77/570649277.db2.gz IPVUQYZAZSLHDF-VGTOOOLASA-N 0 0 394.780 6.094 40 10 GKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000058928950 570649412 /nfs/dbraw/zinc/64/94/12/570649412.db2.gz IOCNABKIJXEALE-TYILLQQXSA-N 0 0 389.282 6.345 40 10 GKCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 ZINC000058883579 570650296 /nfs/dbraw/zinc/65/02/96/570650296.db2.gz YBYQECLTLAPEHX-QNGOZBTKSA-N 0 0 389.495 5.170 40 10 GKCBRN O=C1NC(=S)SC1=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000059266532 570652919 /nfs/dbraw/zinc/65/29/19/570652919.db2.gz SEFJADAABORGTP-NVNXTCNLSA-N 0 0 396.320 5.473 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@H]21 ZINC000004959479 570652941 /nfs/dbraw/zinc/65/29/41/570652941.db2.gz HPBRTNDCSAQOBF-RCDCFZSISA-N 0 0 398.846 5.251 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@H]21 ZINC000004959480 570653021 /nfs/dbraw/zinc/65/30/21/570653021.db2.gz HPBRTNDCSAQOBF-WAWZGNHOSA-N 0 0 398.846 5.251 40 10 GKCBRN COc1cc(OC)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000004959536 570653494 /nfs/dbraw/zinc/65/34/94/570653494.db2.gz QFZRMCUSDMLCHR-IQUTYRLHSA-N 0 0 386.835 5.092 40 10 GKCBRN CCCN1C(=O)/C(=C\c2ccccc2OCc2ccc(F)cc2)SC1=S ZINC000059418263 570656403 /nfs/dbraw/zinc/65/64/03/570656403.db2.gz HCTFOMCXQCZQSB-LDADJPATSA-N 0 0 387.501 5.016 40 10 GKCBRN Cc1ccc(C2=C/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)O2)cc1 ZINC000059425883 570656464 /nfs/dbraw/zinc/65/64/64/570656464.db2.gz ORCHTWGSVRNGMU-ATVHPVEESA-N 0 0 387.391 5.453 40 10 GKCBRN CCCCOc1ccccc1/C=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000059474880 570657503 /nfs/dbraw/zinc/65/75/03/570657503.db2.gz RVSLGJNMECSQHN-FCDQGJHFSA-N 0 0 396.490 5.700 40 10 GKCBRN O=C(COC(=O)CCC1CCCC1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000005018585 570657562 /nfs/dbraw/zinc/65/75/62/570657562.db2.gz FSMCVRAQYNRPER-OCOZRVBESA-N 0 0 379.460 5.554 40 10 GKCBRN CCN(CC)c1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 ZINC000059503053 570659608 /nfs/dbraw/zinc/65/96/08/570659608.db2.gz KTNZWPNLTKYMPQ-PGMHBOJBSA-N 0 0 376.500 5.175 40 10 GKCBRN Cc1ccc(C(=O)Nc2cc3c4c(c2)[C@@H]2C=CC[C@@H]2CN4C[C@@H]2CC=C[C@@H]32)cc1 ZINC000229923295 570667270 /nfs/dbraw/zinc/66/72/70/570667270.db2.gz RLPNGAYKCGQFGU-NPDDRXJXSA-N 0 0 382.507 5.400 40 10 GKCBRN O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1c1ccc(Cl)cc1 ZINC000096594534 570674051 /nfs/dbraw/zinc/67/40/51/570674051.db2.gz FQMJPDJSVWHPJJ-RIYZIHGNSA-N 0 0 384.284 5.538 40 10 GKCBRN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 ZINC000007055318 570676988 /nfs/dbraw/zinc/67/69/88/570676988.db2.gz MVJDEBNMISQUDG-QURGRASLSA-N 0 0 379.441 5.105 40 10 GKCBRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)C1=O ZINC000409011561 570693540 /nfs/dbraw/zinc/69/35/40/570693540.db2.gz HWDTZIZWHCAQNQ-HWQJWEFDSA-N 0 0 388.920 5.582 40 10 GKCBRN O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1cccc2ccccc12 ZINC000409053208 570695589 /nfs/dbraw/zinc/69/55/89/570695589.db2.gz MGQVPWVNFRDCOQ-OQKWZONESA-N 0 0 390.438 6.613 40 10 GKCBRN COc1cc(/C=C2\C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)ccc1O ZINC000409052577 570695596 /nfs/dbraw/zinc/69/55/96/570695596.db2.gz KPKPQIPDGFIOTN-QGOAFFKASA-N 0 0 386.403 5.174 40 10 GKCBRN COc1ccc(Cl)c2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000000871822 570709942 /nfs/dbraw/zinc/70/99/42/570709942.db2.gz CHHFMFBQDGJVOZ-FTLABTOESA-N 0 0 380.702 6.482 40 10 GKCBRN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000006630652 570748418 /nfs/dbraw/zinc/74/84/18/570748418.db2.gz LIQUOSJBJNPBHV-SXGZJXTBSA-N 0 0 398.846 5.251 40 10 GKCBRN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000006630649 570748453 /nfs/dbraw/zinc/74/84/53/570748453.db2.gz LIQUOSJBJNPBHV-SIFCLUCFSA-N 0 0 398.846 5.251 40 10 GKCBRN COc1ccccc1N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S ZINC000006674859 570748975 /nfs/dbraw/zinc/74/89/75/570748975.db2.gz ZDYWSJOORJQUMO-CPNJWEJPSA-N 0 0 377.490 5.254 40 10 GKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000006962799 570753785 /nfs/dbraw/zinc/75/37/85/570753785.db2.gz PQGCRQAABRUHGH-GJYPPUQNSA-N 0 0 399.288 5.801 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21 ZINC000006963491 570754142 /nfs/dbraw/zinc/75/41/42/570754142.db2.gz SGKOJUFJFBAXQD-JMERFSKESA-N 0 0 375.255 6.037 40 10 GKCBRN Clc1ccc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)c(Cl)c1 ZINC000006971336 570754646 /nfs/dbraw/zinc/75/46/46/570754646.db2.gz RNEJDSXTYWOKPA-NVGCLXPQSA-N 0 0 395.127 6.582 40 10 GKCBRN Clc1cccc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@H]32)c1Cl ZINC000006969755 570754650 /nfs/dbraw/zinc/75/46/50/570754650.db2.gz UHZJNYOFMCHPDH-WVQJBOLRSA-N 0 0 395.127 6.582 40 10 GKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3c4ccccc4ccc3[C@H]3C=CC[C@H]32)ccc1Cl ZINC000007098993 570756485 /nfs/dbraw/zinc/75/64/85/570756485.db2.gz KDEQQNBNIMQUJN-FVJLSDCUSA-N 0 0 376.843 6.228 40 10 GKCBRN O=[N+]([O-])c1ccc([C@H]2Nc3c(C(F)(F)F)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000013661240 570767672 /nfs/dbraw/zinc/76/76/72/570767672.db2.gz KPJBPVNCPOHPDZ-IIYDPXPESA-N 0 0 394.780 6.094 40 10 GKCBRN COc1ccccc1C=C1SC(Nc2ccc(Cl)c(Cl)c2)=NC1=O ZINC000008495799 570769668 /nfs/dbraw/zinc/76/96/68/570769668.db2.gz WGQSXCQKEVPFBL-OVCLIPMQSA-N 0 0 379.268 5.084 40 10 GKCBRN O=C1N=C(Nc2ccccc2Br)SC1=Cc1ccccc1Cl ZINC000008435727 570769877 /nfs/dbraw/zinc/76/98/77/570769877.db2.gz NALKWZMASJFYGD-NTEUORMPSA-N 0 0 393.693 5.185 40 10 GKCBRN O=C1N=C(Nc2ccc(Br)cc2)SC1=Cc1ccccc1Cl ZINC000008435723 570770114 /nfs/dbraw/zinc/77/01/14/570770114.db2.gz SDNBVHBGPCBISU-NTEUORMPSA-N 0 0 393.693 5.185 40 10 GKCBRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cc2c(ccc3ccccc23)o1 ZINC000013672165 570770770 /nfs/dbraw/zinc/77/07/70/570770770.db2.gz GIIUFSKYJVXQIR-UHFFFAOYSA-N 0 0 384.479 5.506 40 10 GKCBRN O=C(CCSc1ccc(Cl)cc1)NCc1ccc(N2CCCCC2)cc1 ZINC000010113088 570782272 /nfs/dbraw/zinc/78/22/72/570782272.db2.gz OALGVQMWCPCPKI-UHFFFAOYSA-N 0 0 388.964 5.129 40 10 GKCBRN CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000010113073 570782376 /nfs/dbraw/zinc/78/23/76/570782376.db2.gz RQEABSHLEAWJCF-LFIBNONCSA-N 0 0 376.544 5.304 40 10 GKCBRN O=c1cc2c3nc4ccccc4n3c(=O)c3cccc(c23)c1=NNc1ccccc1 ZINC000013080703 570820146 /nfs/dbraw/zinc/82/01/46/570820146.db2.gz IMRMHRKPPYOUGR-CYYJNZCTSA-N 0 0 390.402 5.713 40 10 GKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 ZINC000013638573 570862744 /nfs/dbraw/zinc/86/27/44/570862744.db2.gz WZSGZIHCRBPGCB-PMUMKWKESA-N 0 0 395.127 6.582 40 10 GKCBRN CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000013639492 570862787 /nfs/dbraw/zinc/86/27/87/570862787.db2.gz MWKZZNNTODHDSB-HLIPFELVSA-N 0 0 397.316 5.025 40 10 GKCBRN Clc1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@@H]32)c(Cl)c1 ZINC000014477472 570892587 /nfs/dbraw/zinc/89/25/87/570892587.db2.gz AOZOJSFAJNSARQ-OAVHHTNSSA-N 0 0 385.121 7.127 40 10 GKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@@H]32)ccc1Cl ZINC000014470857 570892598 /nfs/dbraw/zinc/89/25/98/570892598.db2.gz HEKIMLAXVIHDQZ-DINDLPBHSA-N 0 0 395.673 6.382 40 10 GKCBRN O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@@H]2C=CC[C@@H]21 ZINC000014477962 570892607 /nfs/dbraw/zinc/89/26/07/570892607.db2.gz KDSBRAKHFDOYPN-YDIMBITNSA-N 0 0 384.435 6.214 40 10 GKCBRN COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(C(=O)[O-])c(O)c3)c2c1 ZINC000031912186 570907032 /nfs/dbraw/zinc/90/70/32/570907032.db2.gz PLQLHEGROOQNRO-UHFFFAOYSA-N 0 0 394.814 5.197 40 10 GKCBRN COc1ccc(/N=N/c2ccc(N(c3ccccc3)c3ccc(C)cc3)s2)cc1 ZINC000016292620 570921062 /nfs/dbraw/zinc/92/10/62/570921062.db2.gz NWHLTMXRZWVRAM-OCEACIFDSA-N 0 0 399.519 7.950 40 10 GKCBRN Fc1ccccc1COc1ccccc1CNc1ccc(Nc2ccccc2)cc1 ZINC000016490532 570926567 /nfs/dbraw/zinc/92/65/67/570926567.db2.gz TWEBIPSKRWGFRL-UHFFFAOYSA-N 0 0 398.481 6.760 40 10 GKCBRN Cc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226665450 570954196 /nfs/dbraw/zinc/95/41/96/570954196.db2.gz GDNPUMLBRYISBW-GJYPPUQNSA-N 0 0 387.264 5.426 40 10 GKCBRN Clc1cccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)c1Cl ZINC000226830023 570954275 /nfs/dbraw/zinc/95/42/75/570954275.db2.gz YDGZRPPTVBWLSU-GPHJXTMHSA-N 0 0 385.121 7.127 40 10 GKCBRN O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@@H]32)c1 ZINC000226689902 570954319 /nfs/dbraw/zinc/95/43/19/570954319.db2.gz LJEWCDITFTVQAW-HYFFOGBASA-N 0 0 376.843 6.228 40 10 GKCBRN Clc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)c(Cl)c1 ZINC000226836214 570954374 /nfs/dbraw/zinc/95/43/74/570954374.db2.gz NSUBHUOGCHTURS-FHSNZYRGSA-N 0 0 395.127 6.582 40 10 GKCBRN Clc1cccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@@H]3C=CC[C@@H]32)c1Cl ZINC000226844163 570954681 /nfs/dbraw/zinc/95/46/81/570954681.db2.gz ZKCQKDCQFBLHFJ-GPHJXTMHSA-N 0 0 385.121 7.127 40 10 GKCBRN CCOc1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226867294 570954737 /nfs/dbraw/zinc/95/47/37/570954737.db2.gz FNNUCVLNFKUBPO-UMFSSWHCSA-N 0 0 383.491 6.704 40 10 GKCBRN Clc1ccc(Cl)c2c1N[C@@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000226888972 570954753 /nfs/dbraw/zinc/95/47/53/570954753.db2.gz AGWJRXLAGKFWIB-GPHJXTMHSA-N 0 0 385.121 7.127 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000226843268 570954762 /nfs/dbraw/zinc/95/47/62/570954762.db2.gz LIUDWWNIJIMIOU-LPMFXHHGSA-N 0 0 375.255 6.037 40 10 GKCBRN Cc1cc(C)c2c(c1)N[C@@H](c1c3ccccc3cc3ccccc31)[C@H]1CC=C[C@@H]21 ZINC000226901520 570954823 /nfs/dbraw/zinc/95/48/23/570954823.db2.gz XSGFCFJOCFCKHI-FMGHJNRGSA-N 0 0 375.515 7.436 40 10 GKCBRN Clc1cccc(Cl)c1[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@@H]21 ZINC000226899161 570954861 /nfs/dbraw/zinc/95/48/61/570954861.db2.gz QFMWCEINEOQRRK-FTLABTOESA-N 0 0 395.127 6.582 40 10 GKCBRN Fc1cc(CN[C@@H](Cc2ccsc2)c2nccs2)ccc1N1CCCC1 ZINC000019292998 570972522 /nfs/dbraw/zinc/97/25/22/570972522.db2.gz IBHAKXGYZRHWPE-SFHVURJKSA-N 0 0 387.549 5.018 40 10 GKCBRN FC(F)(F)c1ccccc1[C@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@H]21 ZINC000004689491 570989854 /nfs/dbraw/zinc/98/98/54/570989854.db2.gz LGCZLAYBUUQHRC-RVPKQNPDSA-N 0 0 384.228 6.839 40 10 GKCBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1 ZINC000409339503 529382868 /nfs/dbraw/zinc/38/28/68/529382868.db2.gz JFRPZFXMEIANMT-RMENWYJGSA-N 0 0 399.537 5.278 40 10 GKCBRN Cc1ccc(COc2ccc([C@@H]3Nc4c(C)cccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000058928524 230940928 /nfs/dbraw/zinc/94/09/28/230940928.db2.gz NPCCLNCPDDHBFL-RMDSEJHCSA-N 0 0 381.519 6.709 40 10 GKCBRN CC[C@@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2ccc(OC)cc2)C1=O ZINC000409329032 529387839 /nfs/dbraw/zinc/38/78/39/529387839.db2.gz CAUXDVVTMPLCJY-RMENWYJGSA-N 0 0 399.537 5.278 40 10 GKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000111441075 231020778 /nfs/dbraw/zinc/02/07/78/231020778.db2.gz QHTDKILFXGLBJU-PJIJBLCYSA-N 0 0 389.282 6.345 40 10 GKCBRN O=C1/C(=C\c2cccc(C(F)(F)F)c2)SC(=S)N1c1cccc(F)c1 ZINC000113830604 231021958 /nfs/dbraw/zinc/02/19/58/231021958.db2.gz RTGGSZVEHAYEGW-RIYZIHGNSA-N 0 0 383.391 5.250 40 10 GKCBRN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc2ccccc21 ZINC000113830701 231022968 /nfs/dbraw/zinc/02/29/68/231022968.db2.gz ZPICTRWUEZAYFG-LDADJPATSA-N 0 0 392.461 5.154 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(C)C)SC2=S)c(C)c1 ZINC000408599994 231073946 /nfs/dbraw/zinc/07/39/46/231073946.db2.gz QKMJECZGMAKLHL-NDENLUEZSA-N 0 0 397.565 5.744 40 10 GKCBRN O=C1/C(=C/c2ccc(-c3ccc(F)cc3F)o2)SC(=S)N1c1ccccc1 ZINC000408600016 231074426 /nfs/dbraw/zinc/07/44/26/231074426.db2.gz QWXFFSUQUOZMII-WQRHYEAKSA-N 0 0 399.443 5.631 40 10 GKCBRN Cc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408841945 231120223 /nfs/dbraw/zinc/12/02/23/231120223.db2.gz IVUWDFFBHQNFJB-PXLXIMEGSA-N 0 0 386.882 5.791 40 10 GKCBRN Cc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3cccc(C)c3)C2=O)cc1 ZINC000408843068 231120303 /nfs/dbraw/zinc/12/03/03/231120303.db2.gz QCXHHAZOUXKIJT-PXLXIMEGSA-N 0 0 386.882 5.791 40 10 GKCBRN Cc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408841801 231120755 /nfs/dbraw/zinc/12/07/55/231120755.db2.gz LPHPQLBQEDAHBY-PXLXIMEGSA-N 0 0 386.882 5.791 40 10 GKCBRN O=C1/C(=C\c2ccc(N3CCCCCC3)o2)SC(=S)N1c1ccccc1 ZINC000408903156 231126836 /nfs/dbraw/zinc/12/68/36/231126836.db2.gz VADIPVUYZRFCQW-SAPNQHFASA-N 0 0 384.526 5.066 40 10 GKCBRN Cc1cc(-c2nc(=O)c3c(C)c(C)sc3[nH]2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408735298 231107466 /nfs/dbraw/zinc/10/74/66/231107466.db2.gz PYZKMXBDMBLEIG-UHFFFAOYSA-N 0 0 377.513 5.705 40 10 GKCBRN FC(F)(F)c1ccccc1[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@@H]2C=CC[C@@H]21 ZINC000408736164 231108563 /nfs/dbraw/zinc/10/85/63/231108563.db2.gz JFISRHBDDKRHNR-BWACUDIHSA-N 0 0 384.228 6.839 40 10 GKCBRN O=C(Oc1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc1)c1ccccc1 ZINC000408736130 231108828 /nfs/dbraw/zinc/10/88/28/231108828.db2.gz HBYMQTZLKAYRKI-DPLHUUCSSA-N 0 0 385.438 5.871 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1 ZINC000408738958 231109262 /nfs/dbraw/zinc/10/92/62/231109262.db2.gz QLLVAHDGIZFMEJ-HMMYKYKNSA-N 0 0 382.419 5.375 40 10 GKCBRN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(F)c(C)c3)C2=O)cc1 ZINC000408739506 231109307 /nfs/dbraw/zinc/10/93/07/231109307.db2.gz XDKJVTKYEGNQHO-HMMYKYKNSA-N 0 0 385.438 5.614 40 10 GKCBRN Cc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000408752884 231111782 /nfs/dbraw/zinc/11/17/82/231111782.db2.gz DBCHQPKIWUWZOP-XQNSMLJCSA-N 0 0 399.469 5.035 40 10 GKCBRN Cc1cccc(C2=N/C(=C/c3cccs3)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000408754295 231111825 /nfs/dbraw/zinc/11/18/25/231111825.db2.gz PYHDTIVOYSBBSE-CPNJWEJPSA-N 0 0 378.884 5.544 40 10 GKCBRN COc1cccc(/C=C2/N=C(c3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1 ZINC000408763831 231112453 /nfs/dbraw/zinc/11/24/53/231112453.db2.gz VDMIUFSRNSSHEH-XQNSMLJCSA-N 0 0 382.463 5.147 40 10 GKCBRN O=C1/C(=C\c2ccccc2)N=C(c2ccc(Cl)cc2)N1c1ccc(F)cc1 ZINC000408763253 231112488 /nfs/dbraw/zinc/11/24/88/231112488.db2.gz RWILGWDTAOQTNE-XSFVSMFZSA-N 0 0 376.818 5.314 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2cccc(C)c2)cc1 ZINC000408767038 231113038 /nfs/dbraw/zinc/11/30/38/231113038.db2.gz UZTKAQUCAOBNHB-PXLXIMEGSA-N 0 0 386.882 5.791 40 10 GKCBRN O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2Cl)N1c1ccc(F)cc1 ZINC000408767314 231113094 /nfs/dbraw/zinc/11/30/94/231113094.db2.gz ZDWHSUQKINJZQA-DEDYPNTBSA-N 0 0 394.808 5.453 40 10 GKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2)cc1 ZINC000408783733 231114181 /nfs/dbraw/zinc/11/41/81/231114181.db2.gz PZKCEWMXMFMXLV-HMMYKYKNSA-N 0 0 382.419 5.375 40 10 GKCBRN Cc1cc(/C=C/[N+](=O)[O-])c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408785022 231114447 /nfs/dbraw/zinc/11/44/47/231114447.db2.gz XCHWFMHCFYOOMW-BQYQJAHWSA-N 0 0 376.500 5.809 40 10 GKCBRN COc1ccc(/C=C2\C=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc1[N+](=O)[O-] ZINC000409053696 231152421 /nfs/dbraw/zinc/15/24/21/231152421.db2.gz OKDSYZPEBFLGHZ-DEDYPNTBSA-N 0 0 399.402 5.252 40 10 GKCBRN O=C1/C(=C\c2cccc(Cl)c2Cl)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408970483 231138252 /nfs/dbraw/zinc/13/82/52/231138252.db2.gz ADNQCPHEAPZXLY-XFXZXTDPSA-N 0 0 385.172 5.342 40 10 GKCBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1c(C)cc(C)cc1C ZINC000408966981 231138646 /nfs/dbraw/zinc/13/86/46/231138646.db2.gz RJNUMYDKBRVGQG-IWIPYMOSSA-N 0 0 397.522 5.826 40 10 GKCBRN Cc1c(/C=C2/C(=O)N(c3cc(F)c(F)cc3F)N=C2C)c2cccc(C)c2n1C ZINC000409041426 231150799 /nfs/dbraw/zinc/15/07/99/231150799.db2.gz AAUJHHLIOPGQQL-OVCLIPMQSA-N 0 0 397.400 5.019 40 10 GKCBRN COc1ccc(/C=C2\C=C(c3ccc(C)c(C)c3)OC2=O)cc1Br ZINC000409057225 231152247 /nfs/dbraw/zinc/15/22/47/231152247.db2.gz UXLLXXQAPBZOAX-CXUHLZMHSA-N 0 0 385.257 5.056 40 10 GKCBRN Cc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c(C)n1C1CCCC1 ZINC000409128791 231168003 /nfs/dbraw/zinc/16/80/03/231168003.db2.gz SMCMNKIXCNAIJQ-ODLFYWEKSA-N 0 0 397.569 5.016 40 10 GKCBRN Cc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)n1C1CCCC1 ZINC000409131798 231169484 /nfs/dbraw/zinc/16/94/84/231169484.db2.gz JKSRRPLJYJYVOW-UYRXBGFRSA-N 0 0 382.554 5.626 40 10 GKCBRN Cc1cc(C=C2NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1C1CCCC1 ZINC000409145510 231171108 /nfs/dbraw/zinc/17/11/08/231171108.db2.gz QOZMGXFUKUBUAI-BKUYFWCQSA-N 0 0 393.556 5.099 40 10 GKCBRN Cc1cccc(COc2ccc(C[C@H]3SC(=S)N(CC(C)C)C3=O)cc2)c1 ZINC000409149747 231171643 /nfs/dbraw/zinc/17/16/43/231171643.db2.gz PIVWSIKHGHKVKS-HXUWFJFHSA-N 0 0 399.581 5.001 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000409154331 231171717 /nfs/dbraw/zinc/17/17/17/231171717.db2.gz GTCOGNYLPAZEIW-VFVRVIDISA-N 0 0 384.228 6.839 40 10 GKCBRN Fc1cc(Br)cc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 ZINC000409151238 231171743 /nfs/dbraw/zinc/17/17/43/231171743.db2.gz ARLJMKVOKHUVSL-CKEIUWERSA-N 0 0 378.672 6.068 40 10 GKCBRN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000409152751 231172190 /nfs/dbraw/zinc/17/21/90/231172190.db2.gz LELLONBEKDZMKY-CZIZLABSSA-N 0 0 395.673 6.382 40 10 GKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(C(C)(C)C)cc1)[C@H]1CC=C[C@@H]21 ZINC000409155246 231172606 /nfs/dbraw/zinc/17/26/06/231172606.db2.gz QEKAJNNNHQDRGH-LLGFUMIMSA-N 0 0 378.472 5.727 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 ZINC000409161041 231172633 /nfs/dbraw/zinc/17/26/33/231172633.db2.gz STJYABAGBDHIDY-FHSNZYRGSA-N 0 0 394.234 6.294 40 10 GKCBRN O=[N+]([O-])c1cccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@H]32)c1 ZINC000409158848 231172695 /nfs/dbraw/zinc/17/26/95/231172695.db2.gz YCAZISPGLQXGKC-XNJGSVPQSA-N 0 0 394.780 6.094 40 10 GKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000409157742 231172758 /nfs/dbraw/zinc/17/27/58/231172758.db2.gz VRBJABFNZPHLHY-VPZZIHKRSA-N 0 0 389.282 6.345 40 10 GKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(C(C)(C)C)cc1)[C@@H]1CC=C[C@@H]21 ZINC000409155242 231172960 /nfs/dbraw/zinc/17/29/60/231172960.db2.gz QEKAJNNNHQDRGH-CBGDNZLLSA-N 0 0 378.472 5.727 40 10 GKCBRN Fc1cccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)c1 ZINC000409158329 231173049 /nfs/dbraw/zinc/17/30/49/231173049.db2.gz XXMBUGAKYUAAAK-RKVPGOIHSA-N 0 0 391.227 5.257 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 ZINC000409169100 231173432 /nfs/dbraw/zinc/17/34/32/231173432.db2.gz ORBUXMFBLQCCSE-JTDSTZFVSA-N 0 0 385.261 5.492 40 10 GKCBRN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(F)(F)F)N2 ZINC000409167547 231173443 /nfs/dbraw/zinc/17/34/43/231173443.db2.gz IPVUQYZAZSLHDF-CZIZLABSSA-N 0 0 394.780 6.094 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000409162915 231173798 /nfs/dbraw/zinc/17/37/98/231173798.db2.gz JMUHBTNZXTUVBN-RVKKMQEKSA-N 0 0 394.234 6.294 40 10 GKCBRN Fc1cc(Br)cc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000409169544 231173853 /nfs/dbraw/zinc/17/38/53/231173853.db2.gz QQYXPTXBCYSFKC-QFSBIZTOSA-N 0 0 378.672 6.068 40 10 GKCBRN O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(F)cc(Br)cc2[C@H]2C=CC[C@H]21 ZINC000409164493 231173931 /nfs/dbraw/zinc/17/39/31/231173931.db2.gz JHHBPVRODWEGKF-XWCIJXRUSA-N 0 0 389.224 5.323 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2 ZINC000409162916 231174040 /nfs/dbraw/zinc/17/40/40/231174040.db2.gz JMUHBTNZXTUVBN-VKJFTORMSA-N 0 0 394.234 6.294 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000409174519 231174999 /nfs/dbraw/zinc/17/49/99/231174999.db2.gz MZFCHQYTSRRBAM-VFVRVIDISA-N 0 0 384.228 6.839 40 10 GKCBRN Cc1cc(C(=S)N2CCCCC2)c(C)n1-c1ccc(Br)cc1 ZINC000409206503 231180533 /nfs/dbraw/zinc/18/05/33/231180533.db2.gz KGTMCZUEZDBGBU-UHFFFAOYSA-N 0 0 377.351 5.018 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccccc3OC(C)C)SC2=S)c(C)c1 ZINC000409327753 231189662 /nfs/dbraw/zinc/18/96/62/231189662.db2.gz MJYAGRZQGRGRCF-XDHOZWIPSA-N 0 0 383.538 5.496 40 10 GKCBRN CCn1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)c2ccccc21 ZINC000409326418 231189917 /nfs/dbraw/zinc/18/99/17/231189917.db2.gz BMIWUXDHGHAFOV-UNOMPAQXSA-N 0 0 394.521 5.076 40 10 GKCBRN CCn1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)c2ccccc21 ZINC000409331896 231191077 /nfs/dbraw/zinc/19/10/77/231191077.db2.gz PJZYKMYNCDNFAL-NDENLUEZSA-N 0 0 392.549 5.684 40 10 GKCBRN CCn1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c2ccccc21 ZINC000409334309 231191185 /nfs/dbraw/zinc/19/11/85/231191185.db2.gz WTIZXLGRUBQISK-VCHYOVAHSA-N 0 0 382.485 5.206 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)SC2=S)c1 ZINC000409341212 231192475 /nfs/dbraw/zinc/19/24/75/231192475.db2.gz AFNKXPKHQMCINR-RGEXLXHISA-N 0 0 380.538 5.001 40 10 GKCBRN O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1c1cccc(F)c1 ZINC000409340161 231192495 /nfs/dbraw/zinc/19/24/95/231192495.db2.gz RKOHHOKMKXZBMB-ZSOIEALJSA-N 0 0 384.284 5.538 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(O)c(Cl)c3)SC2=S)cc1C ZINC000409341536 231192924 /nfs/dbraw/zinc/19/29/24/231192924.db2.gz BPYMMONCYNAXRT-CXUHLZMHSA-N 0 0 375.902 5.068 40 10 GKCBRN O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409345375 231193521 /nfs/dbraw/zinc/19/35/21/231193521.db2.gz LLESJHYARVTUJH-AUWJEWJLSA-N 0 0 382.293 5.105 40 10 GKCBRN CCn1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c2ccccc21 ZINC000409348164 231194124 /nfs/dbraw/zinc/19/41/24/231194124.db2.gz RVHDPRMFUAYOPL-XDHOZWIPSA-N 0 0 378.522 5.063 40 10 GKCBRN Cc1c(/C=C2/SC(=S)N(c3ccccc3F)C2=O)c2ccccc2n1C ZINC000409350067 231194397 /nfs/dbraw/zinc/19/43/97/231194397.db2.gz XAOXUBSOLSVRPI-WOJGMQOQSA-N 0 0 382.485 5.032 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(Cl)c3Cl)SC2=S)c(C)c1 ZINC000409351981 231195046 /nfs/dbraw/zinc/19/50/46/231195046.db2.gz VGYRIEHUFMBOOC-DHDCSXOGSA-N 0 0 394.348 6.016 40 10 GKCBRN CCc1cccc2c(/C=C3\SC(=S)N(c4ccccc4OC)C3=O)c[nH]c21 ZINC000409331645 529549171 /nfs/dbraw/zinc/54/91/71/529549171.db2.gz OBYCRIXGKOJOSC-WQRHYEAKSA-N 0 0 394.521 5.145 40 10 GKCBRN CCc1ccc(/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(C)=C2C(=O)OC)cc1 ZINC000409054692 529584493 /nfs/dbraw/zinc/58/44/93/529584493.db2.gz BAVVOVYLDQSIQI-JCMHNJIXSA-N 0 0 389.495 5.250 40 10 GKCBRN CCc1ccc(C=C2SC(Nc3cccc(Cl)c3Cl)=NC2=O)cc1 ZINC000008337834 529584908 /nfs/dbraw/zinc/58/49/08/529584908.db2.gz LIHSQMOUFWMADT-XNTDXEJSSA-N 0 0 377.296 5.638 40 10 GKCBRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C1=O ZINC000409021163 529695636 /nfs/dbraw/zinc/69/56/36/529695636.db2.gz YLWQDMBVJMLHBJ-UZUMKDMXSA-N 0 0 382.529 5.546 40 10 GKCBRN CCN(CC)C(=S)n1nc(C)c(/N=N/c2cccc(Cl)c2Cl)c1C ZINC000017130901 210206633 /nfs/dbraw/zinc/20/66/33/210206633.db2.gz NSTOWZXLMQCTGH-FMQUCBEESA-N 0 0 384.336 5.697 40 10 GKCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)SC2=S)cc1 ZINC000009188359 529783338 /nfs/dbraw/zinc/78/33/38/529783338.db2.gz RSCYSDYIKLLQDK-RGEXLXHISA-N 0 0 396.581 5.456 40 10 GKCBRN CC(C)c1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000225653915 222687294 /nfs/dbraw/zinc/68/72/94/222687294.db2.gz AWLAQHPRCMBTRU-IBGZPJMESA-N 0 0 395.616 6.094 40 10 GKCBRN CCc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000225668408 222689106 /nfs/dbraw/zinc/68/91/06/222689106.db2.gz QAPAWTRBIBSMMC-MSOLQXFVSA-N 0 0 381.589 5.533 40 10 GKCBRN Fc1cccc2c1N[C@@H](c1cc3c(cc1Br)OCO3)[C@H]1CC=C[C@@H]21 ZINC000229885759 222713350 /nfs/dbraw/zinc/71/33/50/222713350.db2.gz UMFNBCQCUZSNDE-LIBAHTEVSA-N 0 0 388.236 5.143 40 10 GKCBRN COc1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1NN=C1C=CC(=O)C=C1 ZINC000299888597 222793282 /nfs/dbraw/zinc/79/32/82/222793282.db2.gz PTIVACHGVHIMMK-UHFFFAOYSA-N 0 0 377.360 6.140 40 10 GKCBRN Cc1noc(C)c1N=Nc1nnc2[n-][nH+]c(-c3ccccc3)c(-c3ccccc3)c1-2 ZINC000006933413 209708762 /nfs/dbraw/zinc/70/87/62/209708762.db2.gz PJDVYECCNAHCPV-BZZOAKBMSA-N 0 0 395.426 5.707 40 10 GKCBRN CC(=O)c1cccc(N2C(=O)C(=CC(C)=Cc3ccccc3)SC2=S)c1 ZINC000005372202 209590728 /nfs/dbraw/zinc/59/07/28/209590728.db2.gz TXUVDVCHCUURLC-JKLBGJETSA-N 0 0 379.506 5.241 40 10 GKCBRN COc1ccccc1C=C1SC(Nc2cccc(Cl)c2Cl)=NC1=O ZINC000002254202 209352295 /nfs/dbraw/zinc/35/22/95/209352295.db2.gz ABMWPKZIKIXCFU-NTEUORMPSA-N 0 0 379.268 5.084 40 10 GKCBRN Cc1ccc(N(Cc2cc(C)cc(C)c2O)Cc2cc(C)cc(C)c2O)cc1 ZINC000001679502 209337650 /nfs/dbraw/zinc/33/76/50/209337650.db2.gz QRNPKJNZGYHSOB-UHFFFAOYSA-N 0 0 375.512 5.847 40 10 GKCBRN CCOc1ccccc1NC=C1SC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000101108396 212068988 /nfs/dbraw/zinc/06/89/88/212068988.db2.gz FKOLBQXASIHPRA-WJDWOHSUSA-N 0 0 390.917 5.057 40 10 GKCBRN Oc1c([C@@H](Nc2cc(Cl)cc(Cl)c2)c2ccccc2)ccc2cccnc21 ZINC000054621517 212058622 /nfs/dbraw/zinc/05/86/22/212058622.db2.gz RJFMAMQNTPHWJE-FQEVSTJZSA-N 0 0 395.289 6.449 40 10 GKCBRN O=[N+]([O-])c1ccc(-c2csc(=Nc3ccccc3)n2Cc2ccccc2)cc1 ZINC000001994161 203923549 /nfs/dbraw/zinc/92/35/49/203923549.db2.gz GWNHRTQSJHQTOT-UHFFFAOYSA-O 0 0 388.472 5.403 40 10 GKCBRN O=[N+]([O-])c1ccc([C@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@@H]32)cc1 ZINC000004558053 204053337 /nfs/dbraw/zinc/05/33/37/204053337.db2.gz WEMYZEARRRTUNJ-GDZNZVCISA-N 0 0 394.780 6.094 40 10 GKCBRN COC(=O)c1sc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c2c1N ZINC000005334912 204127013 /nfs/dbraw/zinc/12/70/13/204127013.db2.gz XCXDDMHMLFOTDV-UHFFFAOYSA-N 0 0 378.428 5.138 40 10 GKCBRN CC(=O)c1ccc(N2C(=O)C(=Cc3ccc(C(C)C)cc3)SC2=S)cc1 ZINC000005371667 204127809 /nfs/dbraw/zinc/12/78/09/204127809.db2.gz VJKWJEMWYXVGIZ-UNOMPAQXSA-N 0 0 381.522 5.418 40 10 GKCBRN CC(C)(C)N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S ZINC000005371480 204128634 /nfs/dbraw/zinc/12/86/34/204128634.db2.gz KJIWTCQCNYCVTH-XNTDXEJSSA-N 0 0 377.918 5.600 40 10 GKCBRN Cc1ccc(COc2ccccc2/C=C2\SC(N3CCCCC3)=NC2=O)cc1 ZINC000009188848 204301940 /nfs/dbraw/zinc/30/19/40/204301940.db2.gz MJRIEQUQOPHCKY-QNGOZBTKSA-N 0 0 392.524 5.030 40 10 GKCBRN CCOc1ccc(N2C(=O)/C(=C/c3c(F)cccc3Cl)SC2=S)cc1 ZINC000009188504 204302009 /nfs/dbraw/zinc/30/20/09/204302009.db2.gz HODZOIYDLBBQKX-YBEGLDIGSA-N 0 0 393.892 5.284 40 10 GKCBRN O=C1N=C(N2CCCCCC2)S/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000009188859 204302024 /nfs/dbraw/zinc/30/20/24/204302024.db2.gz UXTQTYXIDLIRGF-PGMHBOJBSA-N 0 0 392.524 5.112 40 10 GKCBRN O=C1/C(=C/c2ccc(-c3ccccc3)cc2)SC(=S)N1C1CCCCC1 ZINC000009187959 204302242 /nfs/dbraw/zinc/30/22/42/204302242.db2.gz XTGKYBKHIDEJRL-HKWRFOASSA-N 0 0 379.550 5.888 40 10 GKCBRN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S ZINC000009188687 204302427 /nfs/dbraw/zinc/30/24/27/204302427.db2.gz XHHSGAFJCITVRY-ATPAHOSSSA-N 0 0 381.566 5.947 40 10 GKCBRN CCOc1c(/N=N/c2ccc(Br)cc2)c(C)nn1C(=S)SC ZINC000018118368 204615566 /nfs/dbraw/zinc/61/55/66/204615566.db2.gz KCMKPDPVNPQJRK-WUKNDPDISA-N 0 0 399.339 5.264 40 10 GKCBRN CC(C)Oc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000225665794 211915054 /nfs/dbraw/zinc/91/50/54/211915054.db2.gz XXUOJYGTMWUCPO-SFHVURJKSA-N 0 0 397.588 5.512 40 10 GKCBRN CCN(CC)c1ccc(CNC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000225080837 211881840 /nfs/dbraw/zinc/88/18/40/211881840.db2.gz NJJNTMOLXDDHLK-UHFFFAOYSA-N 0 0 388.511 5.042 40 10 GKCBRN Oc1c([C@H](Nc2cc(Cl)cc(Cl)c2)c2ccccc2)ccc2cccnc21 ZINC000054621521 209114234 /nfs/dbraw/zinc/11/42/34/209114234.db2.gz RJFMAMQNTPHWJE-HXUWFJFHSA-N 0 0 395.289 6.449 40 10 GKCBRN CN(C)c1ccc(N=Nc2ccc(NN=C3C(=O)C=Cc4ccccc43)cc2)cc1 ZINC000068601260 205272377 /nfs/dbraw/zinc/27/23/77/205272377.db2.gz UGWIBERFWUXJNU-PAMTUDGESA-N 0 0 395.466 7.442 40 10 GKCBRN Cc1ccccc1/N=N/c1ccc(/N=N\c2c(N)ccc3ccccc32)c(C)c1 ZINC000104389486 205650430 /nfs/dbraw/zinc/65/04/30/205650430.db2.gz RFBJKPNUSZNPEU-TZZNUMCQSA-N 0 0 379.467 7.870 40 10 GKCBRN COc1ccc(Cl)c2c1N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@H]21 ZINC000004975257 205760472 /nfs/dbraw/zinc/76/04/72/205760472.db2.gz CHHFMFBQDGJVOZ-PZROIBLQSA-N 0 0 380.702 6.482 40 10 GKCBRN COc1ccc(Cl)c2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@H]21 ZINC000004975254 205760595 /nfs/dbraw/zinc/76/05/95/205760595.db2.gz CHHFMFBQDGJVOZ-OAVHHTNSSA-N 0 0 380.702 6.482 40 10 GKCBRN COc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3C(F)(F)F)c2)cc1 ZINC000216727789 211744454 /nfs/dbraw/zinc/74/44/54/211744454.db2.gz FBRIPAZDKJJZOF-HXUWFJFHSA-N 0 0 388.389 5.040 40 10 GKCBRN Cc1[nH]c2ccc(C)cc2c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000038170216 205923702 /nfs/dbraw/zinc/92/37/02/205923702.db2.gz BJOFTOXFNKMYQZ-ODLFYWEKSA-N 0 0 378.522 5.186 40 10 GKCBRN CCN(CCCNC(=S)Nc1ccc(C)c(Cl)c1)c1ccc(C)cc1 ZINC000225733451 206070758 /nfs/dbraw/zinc/07/07/58/206070758.db2.gz IKYRCVXNKDKYIL-UHFFFAOYSA-N 0 0 375.969 5.160 40 10 GKCBRN C[C@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(N2CCC(C)CC2)cc1 ZINC000225655470 206063546 /nfs/dbraw/zinc/06/35/46/206063546.db2.gz BYGJAHLXCNCKBC-HNNXBMFYSA-N 0 0 389.515 5.249 40 10 GKCBRN Cc1ccc(C)c(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000225653781 206064375 /nfs/dbraw/zinc/06/43/75/206064375.db2.gz VDCJZEPGJHBPOQ-LJQANCHMSA-N 0 0 381.589 5.587 40 10 GKCBRN CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000225663398 206064724 /nfs/dbraw/zinc/06/47/24/206064724.db2.gz DUSXLQWBUZPKBB-KRWDZBQOSA-N 0 0 383.561 5.123 40 10 GKCBRN CC(C)c1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000225667509 206065673 /nfs/dbraw/zinc/06/56/73/206065673.db2.gz GGIWDCBZDJMZSN-RTBURBONSA-N 0 0 395.616 6.094 40 10 GKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1cccc(C)c1C ZINC000033442025 206098696 /nfs/dbraw/zinc/09/86/96/206098696.db2.gz OBQWGSGTGLABDC-HZHRSRAPSA-N 0 0 383.495 5.517 40 10 GKCBRN Nc1ccc(N(C(=O)c2ccccc2)C(=O)c2ccccc2)c(-c2ccccc2)c1 ZINC000001600812 206387113 /nfs/dbraw/zinc/38/71/13/206387113.db2.gz CCJWHOKOHLUNLT-UHFFFAOYSA-N 0 0 392.458 5.423 40 10 GKCBRN CCCCCCn1c(-c2ccc([N+](=O)[O-])cc2)csc1=Nc1ccccc1 ZINC000002676776 206428537 /nfs/dbraw/zinc/42/85/37/206428537.db2.gz NXRQWMVIEOEZKG-UHFFFAOYSA-O 0 0 382.509 5.935 40 10 GKCBRN CCN(CC)c1ccc(N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)cc1 ZINC000005838053 206629372 /nfs/dbraw/zinc/62/93/72/206629372.db2.gz VXRWLVKAOXYFJI-QGOAFFKASA-N 0 0 386.517 5.078 40 10 GKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000043769698 207633101 /nfs/dbraw/zinc/63/31/01/207633101.db2.gz JUZGYFWKGIPEEI-SNUQEOBHSA-N 0 0 391.254 5.737 40 10 GKCBRN CSc1ccc(NC(=O)Nc2cc(C)ccc2/N=N\c2ccc(C)cc2)cc1 ZINC000104167107 208430557 /nfs/dbraw/zinc/43/05/57/208430557.db2.gz NZRCWRBLNUTSPK-QPLCGJKRSA-N 0 0 390.512 7.085 40 10 GKCBRN COc1cc([C@H]2Nc3c4ccccc4ccc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC ZINC000004959494 208662792 /nfs/dbraw/zinc/66/27/92/208662792.db2.gz DGKGIADMRQEHSN-SFYKDHMMSA-N 0 0 387.479 5.692 40 10 GKCBRN C1=C[C@H]2c3cc(C45CC6CC(CC(C6)C4)C5)ccc3N[C@@H](c3cccnc3)[C@@H]2C1 ZINC000100344967 208704317 /nfs/dbraw/zinc/70/43/17/208704317.db2.gz FXKOZSJVNPPUCN-SFDINPOQSA-N 0 0 382.551 6.376 40 10 GKCBRN CCOc1ccccc1NC(=S)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000225654349 208964490 /nfs/dbraw/zinc/96/44/90/208964490.db2.gz PBLNRBNKRWHUEY-GOSISDBHSA-N 0 0 397.588 5.369 40 10 GKCBRN Fc1ccccc1[C@H]1[C@H]2CC=C[C@H]2c2c3ccccc3cc3c2N1C[C@H]1CC=C[C@H]31 ZINC000004182491 220691302 /nfs/dbraw/zinc/69/13/02/220691302.db2.gz FVAFZNALYZHRMV-HOTGKFCASA-N 0 0 393.505 6.873 40 10 GKCBRN O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000012032494 221143126 /nfs/dbraw/zinc/14/31/26/221143126.db2.gz JHJFWXPLMBKULF-VGOFMYFVSA-N 0 0 384.284 5.538 40 10 GKCBRN Fc1cccc2c1N[C@H](c1cc3c(cc1Br)OCO3)[C@H]1CC=C[C@@H]21 ZINC000013389555 221267680 /nfs/dbraw/zinc/26/76/80/221267680.db2.gz UMFNBCQCUZSNDE-DDBGAENHSA-N 0 0 388.236 5.143 40 10 GKCBRN COc1ccc(Cl)c2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@@H]21 ZINC000013389455 221268305 /nfs/dbraw/zinc/26/83/05/221268305.db2.gz CHHFMFBQDGJVOZ-SEDUGSJDSA-N 0 0 380.702 6.482 40 10 GKCBRN CCc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000013547633 221271561 /nfs/dbraw/zinc/27/15/61/221271561.db2.gz FAFUGNBLPWTRGN-YBEGLDIGSA-N 0 0 393.455 5.674 40 10 GKCBRN NC1=NC(=O)C(=NNc2ccccc2)C(Nc2ccc(Cl)c(Cl)c2)=N1 ZINC000018044124 221386483 /nfs/dbraw/zinc/38/64/83/221386483.db2.gz YJOHFXGBJWTXNO-WCWDXBQESA-N 0 0 375.219 5.230 40 10 GKCBRN COc1ccc(Br)cc1[C@@H]1Nc2cc(C)cc(C)c2[C@@H]2C=CC[C@@H]21 ZINC000408737080 533267254 /nfs/dbraw/zinc/26/72/54/533267254.db2.gz HSUKMIFFMVKWBM-VWKPWSFCSA-N 0 0 384.317 5.901 40 10 GKCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000408893942 533267670 /nfs/dbraw/zinc/26/76/70/533267670.db2.gz OQTIKZNEPKMHRW-JCMHNJIXSA-N 0 0 383.447 5.025 40 10 GKCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 ZINC000408768456 533268709 /nfs/dbraw/zinc/26/87/09/533268709.db2.gz JJZIJEDTHHUALP-JXAWBTAJSA-N 0 0 393.458 5.000 40 10 GKCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000408769805 533266351 /nfs/dbraw/zinc/26/63/51/533266351.db2.gz PBUUJHHXMIQTPJ-CXJVOSNZSA-N 0 0 397.474 5.274 40 10 GKCBRN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000409057129 533268909 /nfs/dbraw/zinc/26/89/09/533268909.db2.gz UHPZVQJJDFXEEU-AQTBWJFISA-N 0 0 395.886 5.341 40 10 GKCBRN COC(=O)C1=C(C)N(c2cccc3ccccc32)C(=O)/C1=C\c1cccc(C)c1 ZINC000408584291 533269044 /nfs/dbraw/zinc/26/90/44/533269044.db2.gz NVFUUZNFYKFOGM-QNGOZBTKSA-N 0 0 383.447 5.025 40 10 GKCBRN COc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O ZINC000409345838 533339655 /nfs/dbraw/zinc/33/96/55/533339655.db2.gz MJPOQLHWBHGTIM-MOSHPQCFSA-N 0 0 391.517 5.563 40 10 GKCBRN COc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccccc2C)C1=O ZINC000409330058 533339804 /nfs/dbraw/zinc/33/98/04/533339804.db2.gz KCHQERZHVVDPHF-DEDYPNTBSA-N 0 0 391.517 5.563 40 10 GKCBRN COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000409345130 533387047 /nfs/dbraw/zinc/38/70/47/533387047.db2.gz KJYWCHQPSGUNJS-NVNXTCNLSA-N 0 0 396.320 5.408 40 10 GKCBRN COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)ccc1C ZINC000409335429 533474819 /nfs/dbraw/zinc/47/48/19/533474819.db2.gz ZZGTWOIKKQBUDG-MOSHPQCFSA-N 0 0 391.517 5.563 40 10 GKCBRN C[C@H](NC(=O)CCSc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218081635 136203500 /nfs/dbraw/zinc/20/35/00/136203500.db2.gz WBCFQGSYBCDUQB-MOPGFXCFSA-N 0 0 382.573 5.283 40 10 GKCBRN C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000217959911 136203534 /nfs/dbraw/zinc/20/35/34/136203534.db2.gz UTGVXJJJXQUXFW-UBAQAOMRSA-N 0 0 382.935 5.467 40 10 GKCBRN Cc1ccc(CSCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218023124 136203554 /nfs/dbraw/zinc/20/35/54/136203554.db2.gz FUEDBYLEGMGOIB-WOJBJXKFSA-N 0 0 396.600 5.342 40 10 GKCBRN C[C@@H](SCc1ccccc1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000218069373 136203565 /nfs/dbraw/zinc/20/35/65/136203565.db2.gz ZTIISNCBBOCNID-VQTJNVASSA-N 0 0 396.600 5.422 40 10 GKCBRN C[C@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218069876 136203569 /nfs/dbraw/zinc/20/35/69/136203569.db2.gz CJLBYXLEEGDSOO-AABGKKOBSA-N 0 0 396.600 5.422 40 10 GKCBRN Cc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218139784 136203573 /nfs/dbraw/zinc/20/35/73/136203573.db2.gz KZCYXRIMXUQJNT-AABGKKOBSA-N 0 0 396.600 5.589 40 10 GKCBRN Cc1ccc(SCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000217977214 136203596 /nfs/dbraw/zinc/20/35/96/136203596.db2.gz SXBUDLGAMJGUPD-MOPGFXCFSA-N 0 0 382.573 5.201 40 10 GKCBRN C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218165073 136203647 /nfs/dbraw/zinc/20/36/47/136203647.db2.gz ZGWXKTOHMCSPMQ-NHCUHLMSSA-N 0 0 398.550 6.081 40 10 GKCBRN C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218164940 136203741 /nfs/dbraw/zinc/20/37/41/136203741.db2.gz AVJKQCQSQPIYAI-NRFANRHFSA-N 0 0 398.550 6.081 40 10 GKCBRN COc1cccc2cc(C(=O)N[C@H](C)c3ccc(N4CCC(C)CC4)cc3)oc21 ZINC000218616618 136203831 /nfs/dbraw/zinc/20/38/31/136203831.db2.gz JPXRISOORWZPQU-QGZVFWFLSA-N 0 0 392.499 5.169 40 10 GKCBRN Cc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218731402 136203839 /nfs/dbraw/zinc/20/38/39/136203839.db2.gz GEGDOWBHMYRKFU-RTWAWAEBSA-N 0 0 394.559 5.268 40 10 GKCBRN COc1cccc2cc(C(=O)N[C@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)oc21 ZINC000218616783 136203871 /nfs/dbraw/zinc/20/38/71/136203871.db2.gz XLWIHBDLJJFABM-IAGOWNOFSA-N 0 0 392.499 5.169 40 10 GKCBRN CC(C)c1ccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218962400 136203912 /nfs/dbraw/zinc/20/39/12/136203912.db2.gz NXQRAHOAOGEVJI-FQEVSTJZSA-N 0 0 394.559 5.303 40 10 GKCBRN Cc1ccc(C)c(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000219071604 136204047 /nfs/dbraw/zinc/20/40/47/136204047.db2.gz XRCYKFYDZIUYCA-NHCUHLMSSA-N 0 0 394.559 5.184 40 10 GKCBRN Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000219071527 136204068 /nfs/dbraw/zinc/20/40/68/136204068.db2.gz XRCYKFYDZIUYCA-RTWAWAEBSA-N 0 0 394.559 5.184 40 10 GKCBRN Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1C ZINC000219310003 136204104 /nfs/dbraw/zinc/20/41/04/136204104.db2.gz IQHWNWMGMVKYFD-QMMLZNLJSA-N 0 0 394.559 5.184 40 10 GKCBRN Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000219533532 136204230 /nfs/dbraw/zinc/20/42/30/136204230.db2.gz NNHBKWJWIYVHIO-NRSPTQNISA-N 0 0 394.559 5.184 40 10 GKCBRN Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000219549056 136204232 /nfs/dbraw/zinc/20/42/32/136204232.db2.gz MCWSLYIZCGWAIR-SFTDATJTSA-N 0 0 394.559 5.184 40 10 GKCBRN CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219649462 136204236 /nfs/dbraw/zinc/20/42/36/136204236.db2.gz LUMOYESYOGWFRG-SFHVURJKSA-N 0 0 382.573 5.526 40 10 GKCBRN Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000219533473 136204238 /nfs/dbraw/zinc/20/42/38/136204238.db2.gz NNHBKWJWIYVHIO-HLAWJBBLSA-N 0 0 394.559 5.184 40 10 GKCBRN CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219580113 136204241 /nfs/dbraw/zinc/20/42/41/136204241.db2.gz MVUQGMXUSBDQGI-PGRDOPGGSA-N 0 0 398.522 5.097 40 10 GKCBRN CCSc1ccccc1C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219649525 136204242 /nfs/dbraw/zinc/20/42/42/136204242.db2.gz LUMOYESYOGWFRG-GOSISDBHSA-N 0 0 382.573 5.526 40 10 GKCBRN CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219649629 136204276 /nfs/dbraw/zinc/20/42/76/136204276.db2.gz VRAYOGBPLPWMRT-MSOLQXFVSA-N 0 0 382.573 5.526 40 10 GKCBRN Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C ZINC000219517755 136204285 /nfs/dbraw/zinc/20/42/85/136204285.db2.gz HVLHFYUXLCWRFS-NHCUHLMSSA-N 0 0 394.559 5.184 40 10 GKCBRN CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219580244 136204297 /nfs/dbraw/zinc/20/42/97/136204297.db2.gz MVUQGMXUSBDQGI-XMSQKQJNSA-N 0 0 398.522 5.097 40 10 GKCBRN CC(C)Sc1ccccc1C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219656754 136204441 /nfs/dbraw/zinc/20/44/41/136204441.db2.gz JXZQBQPBKZVQJB-LJQANCHMSA-N 0 0 396.600 5.914 40 10 GKCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCCC4)cc3)N21 ZINC000222690670 136204944 /nfs/dbraw/zinc/20/49/44/136204944.db2.gz XFMSHWWJZBWOAE-BVYCBKJFSA-N 0 0 392.572 5.051 40 10 GKCBRN COc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1Cl ZINC000222722741 136204959 /nfs/dbraw/zinc/20/49/59/136204959.db2.gz LTQPTMJHQIZBNC-HZPDHXFCSA-N 0 0 386.923 5.076 40 10 GKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(C(C)C)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223518447 136205752 /nfs/dbraw/zinc/20/57/52/136205752.db2.gz NKFFBMZMLSSNRR-JAIQZWGSSA-N 0 0 398.572 5.850 40 10 GKCBRN CC(C)N1C(=O)S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C1=O ZINC000223564806 136205832 /nfs/dbraw/zinc/20/58/32/136205832.db2.gz ZCZICKXNYNYZTQ-VUQQOUJSSA-N 0 0 386.561 5.632 40 10 GKCBRN C[C@H]1CCCN(c2ccc(CNC(=O)C3(c4ccccc4)CCCC3)cc2)C1 ZINC000223792557 136205952 /nfs/dbraw/zinc/20/59/52/136205952.db2.gz CDVGNXLOONUPNY-FQEVSTJZSA-N 0 0 376.544 5.051 40 10 GKCBRN Cc1ccccc1N=Nc1ccc(NN=C2C(=O)C=Cc3ccccc32)c(C)c1 ZINC000100048782 222455992 /nfs/dbraw/zinc/45/59/92/222455992.db2.gz RCTGMCJBQGBLKT-FNBANUKLSA-N 0 0 380.451 7.993 40 10 GKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc31)N2 ZINC000111478133 222514413 /nfs/dbraw/zinc/51/44/13/222514413.db2.gz HWGSLBXHTZZQOT-RADWXHQJSA-N 0 0 389.882 6.106 40 10 GKCBRN Cc1c(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)c2ccccc2n1C ZINC000409349502 533701751 /nfs/dbraw/zinc/70/17/51/533701751.db2.gz QNCHJMXAKMPAQV-NDENLUEZSA-N 0 0 392.549 5.509 40 10 GKCBRN COc1cccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@H]32)c1OC ZINC000409163044 533760708 /nfs/dbraw/zinc/76/07/08/533760708.db2.gz LATHLXYNBNJDJJ-PJIJBLCYSA-N 0 0 375.390 5.549 40 10 GKCBRN COc1cccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@@H]32)c1OC ZINC000409153817 533759287 /nfs/dbraw/zinc/75/92/87/533759287.db2.gz NHEWNRLEFOMMPI-FHSNZYRGSA-N 0 0 375.390 5.549 40 10 GKCBRN COc1ccc(Cl)cc1-n1c(C)ccc1-c1ccc(Br)cc1 ZINC000408968472 533831019 /nfs/dbraw/zinc/83/10/19/533831019.db2.gz ZDVSIHZILBACMC-UHFFFAOYSA-N 0 0 376.681 5.877 40 10 GKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(C)C)cc3)SC2=S)cc1 ZINC000409350281 533993404 /nfs/dbraw/zinc/99/34/04/533993404.db2.gz XLWLFOWDBCFPDP-XDHOZWIPSA-N 0 0 399.537 5.136 40 10 GKCBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(C)C)SC2=S)cc1 ZINC000408601479 533995075 /nfs/dbraw/zinc/99/50/75/533995075.db2.gz KDKIBOIYAVMKBT-UNOMPAQXSA-N 0 0 399.537 5.136 40 10 GKCBRN COc1ccc(N2N=C(C)C(=C(C)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000112122789 534020814 /nfs/dbraw/zinc/02/08/14/534020814.db2.gz YMAMDWVDTQWXOZ-WQRHYEAKSA-N 0 0 390.270 5.111 40 10 GKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000409155306 534064383 /nfs/dbraw/zinc/06/43/83/534064383.db2.gz QMSPOCJBHWNHED-ARGWCVDVSA-N 0 0 388.294 5.915 40 10 GKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000409155315 534064466 /nfs/dbraw/zinc/06/44/66/534064466.db2.gz QMSPOCJBHWNHED-LAPQFRIASA-N 0 0 388.294 5.915 40 10 GKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000409161608 534065649 /nfs/dbraw/zinc/06/56/49/534065649.db2.gz WMYPBDMGCRPFAI-LAPQFRIASA-N 0 0 398.846 5.170 40 10 GKCBRN COc1ccccc1N1C(=O)/C(=C/c2ccccc2)C=C1c1ccc(Cl)cc1 ZINC000408985925 534129364 /nfs/dbraw/zinc/12/93/64/534129364.db2.gz NYRBQSDFJBVRTH-XDJHFCHBSA-N 0 0 387.866 5.820 40 10 GKCBRN COC(=O)c1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409151685 534242680 /nfs/dbraw/zinc/24/26/80/534242680.db2.gz IMZDLBZZYFAOCC-VKJFTORMSA-N 0 0 384.273 5.062 40 10 GKCBRN COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Br)N2 ZINC000409165226 534250441 /nfs/dbraw/zinc/25/04/41/534250441.db2.gz UZNIWXRIUPADPK-TYILLQQXSA-N 0 0 384.273 5.062 40 10 GKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@@H]21 ZINC000409170340 534251081 /nfs/dbraw/zinc/25/10/81/534251081.db2.gz UKKZDLBOXIHYAM-SXGZJXTBSA-N 0 0 387.401 5.627 40 10 GKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21 ZINC000409170338 534251295 /nfs/dbraw/zinc/25/12/95/534251295.db2.gz UKKZDLBOXIHYAM-SIFCLUCFSA-N 0 0 387.401 5.627 40 10 GKCBRN FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 ZINC000409156343 534420119 /nfs/dbraw/zinc/42/01/19/534420119.db2.gz FHIDMQOXOACHPP-RLFDGXBXSA-N 0 0 384.228 6.839 40 10 GKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1ccccc1Br)[C@H]1CC=C[C@H]21 ZINC000409165479 534631425 /nfs/dbraw/zinc/63/14/25/534631425.db2.gz YOQWQHIDDZPAFB-PZROIBLQSA-N 0 0 395.127 6.582 40 10 GKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@H]21 ZINC000409165478 534631730 /nfs/dbraw/zinc/63/17/30/534631730.db2.gz YOQWQHIDDZPAFB-IUUKEHGRSA-N 0 0 395.127 6.582 40 10 GKCBRN Clc1cccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)c1Cl ZINC000409162020 534647457 /nfs/dbraw/zinc/64/74/57/534647457.db2.gz CAIKWMQFPRHDML-WVMBUTMQSA-N 0 0 392.329 7.487 40 10 GKCBRN Clc1cccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@H]3C=CC[C@H]32)c1Cl ZINC000014477006 534648836 /nfs/dbraw/zinc/64/88/36/534648836.db2.gz ZKCQKDCQFBLHFJ-YAXFVEMYSA-N 0 0 385.121 7.127 40 10 GKCBRN Nc1nc(CCCCc2ccccc2)c(N=Nc2ccc(Cl)cc2)c(=O)[nH]1 ZINC000017040217 534747715 /nfs/dbraw/zinc/74/77/15/534747715.db2.gz QXRABCQFIAUAGO-OCEACIFDSA-N 0 0 381.867 5.399 40 10 GKCBRN O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C\c1ccc(Cl)cc1Cl ZINC000409058873 534804338 /nfs/dbraw/zinc/80/43/38/534804338.db2.gz YZRIROKFSVJTSX-XDHOZWIPSA-N 0 0 393.269 6.642 40 10 GKCBRN O=C1OC(c2cccs2)=C/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000409053799 534804712 /nfs/dbraw/zinc/80/47/12/534804712.db2.gz PTPNZUGJRWHRPT-SFQUDFHCSA-N 0 0 394.879 5.962 40 10 GKCBRN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(-c2cccc(Cl)c2)o1 ZINC000408743872 534804833 /nfs/dbraw/zinc/80/48/33/534804833.db2.gz VUHILXVFIZTKDY-RVDMUPIBSA-N 0 0 383.230 6.235 40 10 GKCBRN O=C1OC(c2cccc3ccccc32)=C/C1=C/c1cccc(Br)c1 ZINC000408721998 534804861 /nfs/dbraw/zinc/80/48/61/534804861.db2.gz CDCPEYWJGVEODX-WJDWOHSUSA-N 0 0 377.237 5.584 40 10 GKCBRN Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(C)C)cc2)SC1=S ZINC000409343401 534821364 /nfs/dbraw/zinc/82/13/64/534821364.db2.gz GWCDXSAUOOIJNC-UNOMPAQXSA-N 0 0 383.538 5.436 40 10 GKCBRN O=C1S/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccc(F)cc1 ZINC000106688646 534824451 /nfs/dbraw/zinc/82/44/51/534824451.db2.gz VITKZLBVUVCWCY-ZHZULCJRSA-N 0 0 396.487 5.053 40 10 GKCBRN O=C1c2ccccc2C(=O)C1(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000408733232 534848904 /nfs/dbraw/zinc/84/89/04/534848904.db2.gz GSOQNUWISZWFAK-UHFFFAOYSA-N 0 0 388.466 5.913 40 10 GKCBRN CC(C)(C)c1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409173899 526791422 /nfs/dbraw/zinc/79/14/22/526791422.db2.gz LAIHWMMMALWTCY-LQWHRVPQSA-N 0 0 382.345 6.573 40 10 GKCBRN CC(=O)Oc1c(Cl)cc(Cl)cc1/C=C1\C=C(c2ccc(C)cc2)OC1=O ZINC000408742300 527118032 /nfs/dbraw/zinc/11/80/32/527118032.db2.gz OEEGTMIVEFNROM-VIZOYTHASA-N 0 0 389.234 5.208 40 10 GKCBRN CC(=O)Oc1ccc2ccccc2c1/C=C1/C=C(c2ccc(Cl)cc2)OC1=O ZINC000408740673 527119586 /nfs/dbraw/zinc/11/95/86/527119586.db2.gz DCGSBHSJPBSVTF-ATVHPVEESA-N 0 0 390.822 5.400 40 10 GKCBRN CC(Nc1cc(Cl)cc(Cl)c1)=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000112120380 527540300 /nfs/dbraw/zinc/54/03/00/527540300.db2.gz KSBZNKJXNSFZIS-YVLHZVERSA-N 0 0 378.234 5.241 40 10 GKCBRN CC(C)(C)CC(C)(C)NC(=O)c1ccc2nc3ccc4ccccc4c3nc2c1 ZINC000408721439 527650197 /nfs/dbraw/zinc/65/01/97/527650197.db2.gz HWRGIYGHBIDXDJ-UHFFFAOYSA-N 0 0 385.511 5.881 40 10 GKCBRN CC(C)CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)SC1=S ZINC000409032089 527957117 /nfs/dbraw/zinc/95/71/17/527957117.db2.gz IERXNSXCCOUTJW-UNOMPAQXSA-N 0 0 383.538 5.123 40 10 GKCBRN CC(C)c1ccc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc1 ZINC000409347407 528057847 /nfs/dbraw/zinc/05/78/47/528057847.db2.gz PXDVCKMEKTYTFD-STZFKDTASA-N 0 0 389.545 6.369 40 10 GKCBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(Cl)c(F)c1 ZINC000112122742 528065029 /nfs/dbraw/zinc/06/50/29/528065029.db2.gz ULYGEXVHUSRFIM-UNOMPAQXSA-N 0 0 389.833 5.507 40 10 GKCBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCc1ccccc1Cl ZINC000103917873 528065406 /nfs/dbraw/zinc/06/54/06/528065406.db2.gz OHROIXDAMHFLNO-ZHZULCJRSA-N 0 0 385.870 5.046 40 10 GKCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(CC)cc1 ZINC000112123541 528065698 /nfs/dbraw/zinc/06/56/98/528065698.db2.gz KOPBPRLICGWWMG-QNGOZBTKSA-N 0 0 392.459 5.046 40 10 GKCBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(CC)cc1 ZINC000103918827 528065841 /nfs/dbraw/zinc/06/58/41/528065841.db2.gz SOTHMIIATDGXNQ-JWGURIENSA-N 0 0 377.488 5.146 40 10 GKCBRN CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NC1CCCCCC1 ZINC000103917786 528066216 /nfs/dbraw/zinc/06/62/16/528066216.db2.gz JZKSCIQSXCQWMX-HKWRFOASSA-N 0 0 396.560 5.385 40 10 GKCBRN CCCC1=NN(c2ccccc2)C(=O)C1=C(C)NCCSc1ccc(C)cc1 ZINC000103917981 528066741 /nfs/dbraw/zinc/06/67/41/528066741.db2.gz OWMVYSWIDITNBZ-PYCFMQQDSA-N 0 0 393.556 5.154 40 10 GKCBRN CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1cccc(Br)c1 ZINC000103918854 528066792 /nfs/dbraw/zinc/06/67/92/528066792.db2.gz NDOLIBVGEWFEQD-RGEXLXHISA-N 0 0 398.304 5.338 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000105574650 528149782 /nfs/dbraw/zinc/14/97/82/528149782.db2.gz AIBMCZMYJOIKAK-CPNJWEJPSA-N 0 0 390.527 5.793 40 10 GKCBRN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2F)o1 ZINC000408977791 528149814 /nfs/dbraw/zinc/14/98/14/528149814.db2.gz YDYMNSDLNIFYEZ-WOJGMQOQSA-N 0 0 398.796 5.684 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(C)cc1 ZINC000408905363 528150488 /nfs/dbraw/zinc/15/04/88/528150488.db2.gz XVLLJUDFHICIMY-XQNSMLJCSA-N 0 0 382.463 5.380 40 10 GKCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccccc21 ZINC000409120823 528163096 /nfs/dbraw/zinc/16/30/96/528163096.db2.gz UVASBLWVOOMVMQ-JCMHNJIXSA-N 0 0 390.914 6.045 40 10 GKCBRN CCCN1C(=O)/C(=C\c2ccc(Sc3ccc(C)cc3)cc2)SC1=S ZINC000408528913 528163738 /nfs/dbraw/zinc/16/37/38/528163738.db2.gz HOMVUFCMKYYEKM-QGOAFFKASA-N 0 0 385.579 5.757 40 10 GKCBRN CC(C)COc1ccccc1/C=C1\SC(=S)N(C2CCCCC2)C1=O ZINC000408602422 528180084 /nfs/dbraw/zinc/18/00/84/528180084.db2.gz NLDMGIHTSGICSF-PDGQHHTCSA-N 0 0 375.559 5.255 40 10 GKCBRN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)C)cc1)N2 ZINC000408736491 528245420 /nfs/dbraw/zinc/24/54/20/528245420.db2.gz WPBJKWFIEWGPLI-QTEQDKRBSA-N 0 0 377.484 5.477 40 10 GKCBRN CCOC(=O)c1cccc(-n2c(C)ccc2-c2ccc(Br)cc2)c1 ZINC000408963839 528247062 /nfs/dbraw/zinc/24/70/62/528247062.db2.gz AJJWPTIPPHWCAO-UHFFFAOYSA-N 0 0 384.273 5.392 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000409162809 528257757 /nfs/dbraw/zinc/25/77/57/528257757.db2.gz IEFINCNARWPRPL-BIENJYKASA-N 0 0 398.846 5.251 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1ccc(OC(C)C)cc1)[C@H]1CC=C[C@@H]21 ZINC000408736446 528258620 /nfs/dbraw/zinc/25/86/20/528258620.db2.gz TULFWDBSSIWXRX-DXIQSLLYSA-N 0 0 377.484 5.477 40 10 GKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1 ZINC000409147101 528293573 /nfs/dbraw/zinc/29/35/73/528293573.db2.gz UVTYGJUTMNAIEJ-HEHNFIMWSA-N 0 0 394.540 5.202 40 10 GKCBRN CCOc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccccc3)C2=O)cc1 ZINC000408752580 528367587 /nfs/dbraw/zinc/36/75/87/528367587.db2.gz IHSWHBBTNMQDRI-HAVVHWLPSA-N 0 0 382.463 5.228 40 10 GKCBRN CCOc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 ZINC000408764525 528368288 /nfs/dbraw/zinc/36/82/88/528368288.db2.gz UKRNQXFAOKLDHG-JJIBRWJFSA-N 0 0 396.490 5.537 40 10 GKCBRN CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc12 ZINC000408902937 528368983 /nfs/dbraw/zinc/36/89/83/528368983.db2.gz SMBCKGISYCKIKL-XSFVSMFZSA-N 0 0 391.517 5.644 40 10 GKCBRN CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1Cl ZINC000408974134 528369450 /nfs/dbraw/zinc/36/94/50/528369450.db2.gz XOBQUHJNXLMNKQ-UVTDQMKNSA-N 0 0 394.780 5.087 40 10 GKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000408985315 528370549 /nfs/dbraw/zinc/37/05/49/528370549.db2.gz LJENZDPMNZBEOY-HAVVHWLPSA-N 0 0 395.502 6.173 40 10 GKCBRN CCOc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1OCC ZINC000409343544 528370589 /nfs/dbraw/zinc/37/05/89/528370589.db2.gz DVKQRBKZDSGNBV-UYRXBGFRSA-N 0 0 399.537 5.198 40 10 GKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(O)c3)C2=O)cc1 ZINC000408987866 528370915 /nfs/dbraw/zinc/37/09/15/528370915.db2.gz ZIVVUUSZCQUYGV-HMMYKYKNSA-N 0 0 383.447 5.262 40 10 GKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2Cl)cc1 ZINC000408766149 528483107 /nfs/dbraw/zinc/48/31/07/528483107.db2.gz ZTEMWMOMDKYORP-XSFVSMFZSA-N 0 0 392.842 5.166 40 10 GKCBRN CC(C)n1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc21 ZINC000408900983 528544688 /nfs/dbraw/zinc/54/46/88/528544688.db2.gz BDDGPDKAKXILMY-XDHOZWIPSA-N 0 0 378.522 5.628 40 10 GKCBRN CCOc1ccc(NC(=O)c2ccc3nc4ccc5ccccc5c4nc3c2)cc1 ZINC000408723134 528551084 /nfs/dbraw/zinc/55/10/84/528551084.db2.gz ZNMNNYXXPWVWHM-UHFFFAOYSA-N 0 0 393.446 5.587 40 10 GKCBRN CCOC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000408719858 528615812 /nfs/dbraw/zinc/61/58/12/528615812.db2.gz GMRVQGTTWMCTJF-JWGURIENSA-N 0 0 389.495 5.235 40 10 GKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccccc1Cl ZINC000408896290 528615818 /nfs/dbraw/zinc/61/58/18/528615818.db2.gz XNLOPROLEBLQOC-UYRXBGFRSA-N 0 0 395.886 5.224 40 10 GKCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(Cl)c1 ZINC000408892181 528615999 /nfs/dbraw/zinc/61/59/99/528615999.db2.gz GZNSTJAXWQHVIR-MOSHPQCFSA-N 0 0 395.886 5.224 40 10 GKCBRN CCCCOc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000409341989 528657286 /nfs/dbraw/zinc/65/72/86/528657286.db2.gz AYOJXASHGDICIA-XMHGGMMESA-N 0 0 383.538 5.267 40 10 GKCBRN CCOc1cccc(N2C(=O)/C(=C/c3ccc(OC)cc3)C=C2c2ccccc2)c1 ZINC000408739039 528660904 /nfs/dbraw/zinc/66/09/04/528660904.db2.gz RXGMOPBSISLUTM-LTGZKZEYSA-N 0 0 397.474 5.565 40 10 GKCBRN CCCOc1ccc([C@@H]2Nc3c(C(=O)OCC)cccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736384 528721663 /nfs/dbraw/zinc/72/16/63/528721663.db2.gz RIIICQKGTXOURI-DXIQSLLYSA-N 0 0 377.484 5.479 40 10 GKCBRN CCCOc1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736127 528721949 /nfs/dbraw/zinc/72/19/49/528721949.db2.gz GVGQWLJGKFCZLA-DXBVXKBHSA-N 0 0 397.518 7.094 40 10 GKCBRN CCCOc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)c1 ZINC000409093102 528731408 /nfs/dbraw/zinc/73/14/08/528731408.db2.gz XLBDJBJHSZNKBM-PTGBLXJZSA-N 0 0 382.463 5.310 40 10 GKCBRN CCCn1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000409342163 528827975 /nfs/dbraw/zinc/82/79/75/528827975.db2.gz CLODVUSJTSJVJP-CPNJWEJPSA-N 0 0 384.570 5.585 40 10 GKCBRN CCCn1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)c2ccccc21 ZINC000409329852 528828493 /nfs/dbraw/zinc/82/84/93/528828493.db2.gz HOXMCZKUVZSVJA-DEDYPNTBSA-N 0 0 392.549 5.766 40 10 GKCBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1 ZINC000409343431 529191817 /nfs/dbraw/zinc/19/18/17/529191817.db2.gz GSXRPROZJMAUOD-SJPXOZHESA-N 0 0 383.538 5.578 40 10 GKCBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1 ZINC000409328425 529192146 /nfs/dbraw/zinc/19/21/46/529192146.db2.gz VADFEFQGNBEKAO-SJPXOZHESA-N 0 0 383.538 5.578 40 10 GKCBRN CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2ccccc2C)C1=O ZINC000409329197 529197236 /nfs/dbraw/zinc/19/72/36/529197236.db2.gz DTXBNGRJNIMWGV-SJPXOZHESA-N 0 0 383.538 5.578 40 10 GKCBRN CC[C@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2ccc(C)cc2C)C1=O ZINC000409342594 529197540 /nfs/dbraw/zinc/19/75/40/529197540.db2.gz FSJLCKHNPPKPRR-SMEDBKPVSA-N 0 0 397.565 5.887 40 10 GKCBRN CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219595334 535817799 /nfs/dbraw/zinc/81/77/99/535817799.db2.gz YPIZDRZMFBQEKB-HYBUGGRVSA-N 0 0 394.559 5.266 40 10 GKCBRN CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000005861839 570274162 /nfs/dbraw/zinc/27/41/62/570274162.db2.gz WIZYFWHZKDNCFR-ZHZULCJRSA-N 0 0 397.565 5.888 40 10 GKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 ZINC000020711314 570280828 /nfs/dbraw/zinc/28/08/28/570280828.db2.gz HZWPBGIAGPBLGI-DDBGAENHSA-N 0 0 385.121 7.127 40 10 GKCBRN Cc1ccccc1N=Nc1cc(C)c(NN=C2C(=O)C=Cc3ccccc32)cc1C ZINC000101063289 570280850 /nfs/dbraw/zinc/28/08/50/570280850.db2.gz NRBKWAQSLYBVSG-KVZOUHTRSA-N 0 0 394.478 8.301 40 10 GKCBRN Clc1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)c(Cl)c1 ZINC000020712327 570281417 /nfs/dbraw/zinc/28/14/17/570281417.db2.gz RNEJDSXTYWOKPA-PSTGCABASA-N 0 0 395.127 6.582 40 10 GKCBRN O=C(COC(=O)CCc1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000006344168 570283696 /nfs/dbraw/zinc/28/36/96/570283696.db2.gz XRKZWRACRWVHHI-OCEACIFDSA-N 0 0 387.439 5.217 40 10 GKCBRN Nc1nc(CCCCc2ccccc2)c(N=Nc2ccc(Cl)cc2)c(=O)[nH]1 ZINC000104170445 570298601 /nfs/dbraw/zinc/29/86/01/570298601.db2.gz QXRABCQFIAUAGO-QPLCGJKRSA-N 0 0 381.867 5.399 40 10 GKCBRN CCOc1c(/N=N\c2ccccc2Cl)c(-c2ccccc2)nn1C(N)=S ZINC000104230969 570299788 /nfs/dbraw/zinc/29/97/88/570299788.db2.gz DJQKCTZOTSEVMG-DQRAZIAOSA-N 0 0 385.880 5.109 40 10 GKCBRN COc1cc(-c2ccc(NN=C3C=CC(=O)c4ccccc43)c(OC)c2)ccc1N ZINC000104389133 570302516 /nfs/dbraw/zinc/30/25/16/570302516.db2.gz CTHBDVZLFMWMNV-RQZHXJHFSA-N 0 0 399.450 6.227 40 10 GKCBRN O=C1c2ccc(Oc3ccccc3)cc2C(=O)c2ccc(Oc3ccccc3)cc21 ZINC000003843476 570351513 /nfs/dbraw/zinc/35/15/13/570351513.db2.gz UVAHOVVHRHOLRG-UHFFFAOYSA-N 0 0 392.410 6.047 40 10 GKCBRN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000004402407 570373804 /nfs/dbraw/zinc/37/38/04/570373804.db2.gz RGVSWOHNFNYGFP-OCEACIFDSA-N 0 0 382.423 6.318 40 10 GKCBRN Cc1ccc2cc(C3=C/C(=C/c4ccc(Br)o4)C(=O)O3)ccc2c1 ZINC000408754719 570393045 /nfs/dbraw/zinc/39/30/45/570393045.db2.gz HGBSFPVFLNAMLM-YBEGLDIGSA-N 0 0 381.225 5.485 40 10 GKCBRN CCOc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 ZINC000408754929 570393345 /nfs/dbraw/zinc/39/33/45/570393345.db2.gz LVJAUZLEWMGYBA-HAVVHWLPSA-N 0 0 382.463 5.228 40 10 GKCBRN Cc1nn(-c2ccc(C)cc2C)c(C)c1/C=C1/C(=O)N(c2ccccc2C)N=C1C ZINC000408754934 570393356 /nfs/dbraw/zinc/39/33/56/570393356.db2.gz ASYHMDYQESJLPV-HMAPJEAMSA-N 0 0 398.510 5.221 40 10 GKCBRN Cc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000408756166 570393647 /nfs/dbraw/zinc/39/36/47/570393647.db2.gz ULELXAYNWYMUSP-KGENOOAVSA-N 0 0 390.845 5.622 40 10 GKCBRN COc1ccccc1/C=C1/N=C(c2ccc(C)cc2)N(c2cccc(C)c2)C1=O ZINC000408756241 570393718 /nfs/dbraw/zinc/39/37/18/570393718.db2.gz PBCBBOXEIVNRDG-CJLVFECKSA-N 0 0 382.463 5.147 40 10 GKCBRN O=C1/C(=C\c2cccs2)N=C(c2ccccc2F)N1c1ccc(Cl)cc1 ZINC000408756447 570394057 /nfs/dbraw/zinc/39/40/57/570394057.db2.gz RWZKDUABVRMDOG-LDADJPATSA-N 0 0 382.847 5.375 40 10 GKCBRN O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2F)N1c1ccc(F)cc1 ZINC000408756829 570394317 /nfs/dbraw/zinc/39/43/17/570394317.db2.gz URLGRXWAZJQGRY-DEDYPNTBSA-N 0 0 394.808 5.453 40 10 GKCBRN Cc1nn(-c2ccc(C)cc2)c(C)c1/C=C1/C(=O)N(c2ccc(C)c(C)c2)N=C1C ZINC000408757930 570395081 /nfs/dbraw/zinc/39/50/81/570395081.db2.gz SLUUWVIWJWJHST-ZVHZXABRSA-N 0 0 398.510 5.221 40 10 GKCBRN COc1cccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(C)cc3)C2=O)c1 ZINC000408758657 570395707 /nfs/dbraw/zinc/39/57/07/570395707.db2.gz OPVQEWLGGSWJQF-XQNSMLJCSA-N 0 0 382.463 5.147 40 10 GKCBRN FC(F)(F)c1ccccc1[C@H]1Nc2cc(Cl)cc(Cl)c2[C@@H]2C=CC[C@@H]21 ZINC000004721977 570397830 /nfs/dbraw/zinc/39/78/30/570397830.db2.gz RMSFNPMEZBGVFQ-SOZUMNATSA-N 0 0 384.228 6.839 40 10 GKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2F)cc1 ZINC000408759437 570397959 /nfs/dbraw/zinc/39/79/59/570397959.db2.gz DZQOUUWQKYQWDD-CJLVFECKSA-N 0 0 386.426 5.059 40 10 GKCBRN COc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccc(Cl)cc2)cc1 ZINC000408760100 570398156 /nfs/dbraw/zinc/39/81/56/570398156.db2.gz RNQIZBQDWCXTBX-RCCKNPSSSA-N 0 0 388.854 5.183 40 10 GKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000006962797 570409615 /nfs/dbraw/zinc/40/96/15/570409615.db2.gz DKUVCLFOHHLQTQ-TYILLQQXSA-N 0 0 399.834 5.600 40 10 GKCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(C)n3-c3ccccc3)N21 ZINC000222718280 570422025 /nfs/dbraw/zinc/42/20/25/570422025.db2.gz PPUPRMQSGHTKLJ-VOQZNFBZSA-N 0 0 388.540 5.160 40 10 GKCBRN c1ccc(/N=N/C(=C(/N=N/c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000005017694 570424071 /nfs/dbraw/zinc/42/40/71/570424071.db2.gz XKRDULRFCOJZHW-MNDZRGPXSA-N 0 0 388.474 8.080 40 10 GKCBRN CCn1c(-c2ccc(Cl)cc2)csc1=Nc1cccc(C(F)(F)F)c1 ZINC000026570143 570427194 /nfs/dbraw/zinc/42/71/94/570427194.db2.gz KOUTXNKFUZAWRF-UHFFFAOYSA-O 0 0 383.846 6.138 40 10 GKCBRN Oc1c([C@@H](Nc2ccccn2)c2ccccc2F)cc(Cl)c2cccnc12 ZINC000005065549 570428178 /nfs/dbraw/zinc/42/81/78/570428178.db2.gz CWNKFDCPRPBCRF-IBGZPJMESA-N 0 0 379.822 5.329 40 10 GKCBRN Cc1ccc(C(=O)Nc2cc3c4c(c2)[C@H]2C=CC[C@@H]2CN4C[C@H]2CC=C[C@@H]32)cc1 ZINC000005330713 570434386 /nfs/dbraw/zinc/43/43/86/570434386.db2.gz RLPNGAYKCGQFGU-CZAYHTPWSA-N 0 0 382.507 5.400 40 10 GKCBRN CCc1ccc(N2C(=O)/C(=C\c3ccc(Br)o3)SC2=S)cc1 ZINC000005371586 570435358 /nfs/dbraw/zinc/43/53/58/570435358.db2.gz DDBIPAKHUWVSNE-UKTHLTGXSA-N 0 0 394.315 5.010 40 10 GKCBRN CC(=O)c1cccc(N2C(=O)C(=Cc3ccc(C(C)C)cc3)SC2=S)c1 ZINC000005371670 570435489 /nfs/dbraw/zinc/43/54/89/570435489.db2.gz BMUDAZDOGMDYBL-ODLFYWEKSA-N 0 0 381.522 5.418 40 10 GKCBRN O=Cc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000005375098 570436257 /nfs/dbraw/zinc/43/62/57/570436257.db2.gz UWYIPBGXYPSMJQ-CHHVJCJISA-N 0 0 394.304 5.212 40 10 GKCBRN CCN(CC)c1ccc(CNC(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000223200909 570449499 /nfs/dbraw/zinc/44/94/99/570449499.db2.gz HUYRZJJESPQOQW-UHFFFAOYSA-N 0 0 388.511 5.042 40 10 GKCBRN O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2F)N1c1ccc(Cl)cc1 ZINC000408758947 570455608 /nfs/dbraw/zinc/45/56/08/570455608.db2.gz VHMYSYLQLCVXHA-DEDYPNTBSA-N 0 0 394.808 5.453 40 10 GKCBRN COc1cccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@@H]32)c1OC ZINC000008168991 570468082 /nfs/dbraw/zinc/46/80/82/570468082.db2.gz CYIDXLYKEBLEQP-WTOJCKNJSA-N 0 0 376.283 5.837 40 10 GKCBRN COc1ccccc1/C=C1/N=C(c2ccccc2Cl)N(c2ccccc2)C1=O ZINC000408760979 570470362 /nfs/dbraw/zinc/47/03/62/570470362.db2.gz BPSSEWNVDHEYKD-HMMYKYKNSA-N 0 0 388.854 5.183 40 10 GKCBRN COc1ccc(C2=N/C(=C/c3cccs3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000408761205 570470630 /nfs/dbraw/zinc/47/06/30/570470630.db2.gz CJOWBAUHVGQTTJ-CPNJWEJPSA-N 0 0 394.883 5.245 40 10 GKCBRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3o2)cc1 ZINC000006630098 570485267 /nfs/dbraw/zinc/48/52/67/570485267.db2.gz BNSSJJBVJIWMQI-UHFFFAOYSA-N 0 0 385.467 5.593 40 10 GKCBRN CCOc1cc(C2Nc3cccc4cccc(c43)N2)ccc1OCc1ccccc1 ZINC000070453891 570485913 /nfs/dbraw/zinc/48/59/13/570485913.db2.gz SEMAWAQSNIZUOI-UHFFFAOYSA-N 0 0 396.490 6.354 40 10 GKCBRN CCN(CC)c1ccc(CNC(=O)c2ccccc2CCc2ccccc2)cc1 ZINC000223858669 570487621 /nfs/dbraw/zinc/48/76/21/570487621.db2.gz PUAQIWIXOOASMO-UHFFFAOYSA-N 0 0 386.539 5.248 40 10 GKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2 ZINC000006714451 570489903 /nfs/dbraw/zinc/48/99/03/570489903.db2.gz MXYBEMHMIWYYHF-MDZRGWNJSA-N 0 0 399.288 5.801 40 10 GKCBRN O=C1N=C(Nc2ccccc2Br)SC1=Cc1ccc(Cl)cc1 ZINC000008435819 570531576 /nfs/dbraw/zinc/53/15/76/570531576.db2.gz GHHIRNJJKKNMPU-ZROIWOOFSA-N 0 0 393.693 5.185 40 10 GKCBRN O=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccc(N2CCCCC2)cc1 ZINC000224978403 570541511 /nfs/dbraw/zinc/54/15/11/570541511.db2.gz CTIRGJBHRBRZRI-UHFFFAOYSA-N 0 0 384.523 5.203 40 10 GKCBRN CCOC(=O)c1cccc(N[C@H](c2ccccc2)c2ccc3cccnc3c2O)c1 ZINC000027644723 570542649 /nfs/dbraw/zinc/54/26/49/570542649.db2.gz NJTIOYBMAQHOPM-JOCHJYFZSA-N 0 0 398.462 5.319 40 10 GKCBRN CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000002309949 570543234 /nfs/dbraw/zinc/54/32/34/570543234.db2.gz SOHRZVRLOILYOR-USPNBYTPSA-N 0 0 386.471 5.383 40 10 GKCBRN COc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2Cl)cc1 ZINC000408757827 570549136 /nfs/dbraw/zinc/54/91/36/570549136.db2.gz CTKOVNADNOCIOL-RCCKNPSSSA-N 0 0 388.854 5.183 40 10 GKCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1 ZINC000009188460 570551219 /nfs/dbraw/zinc/55/12/19/570551219.db2.gz XNCFOQKCXAGUTO-RGEXLXHISA-N 0 0 382.554 5.247 40 10 GKCBRN CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000009188628 570551248 /nfs/dbraw/zinc/55/12/48/570551248.db2.gz OXYWKMZXPTUHIH-YVLHZVERSA-N 0 0 389.929 5.453 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c1 ZINC000009188476 570551269 /nfs/dbraw/zinc/55/12/69/570551269.db2.gz XNPGGEOLOKXENK-GDNBJRDFSA-N 0 0 390.327 5.163 40 10 GKCBRN CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(C)c(Cl)c2)C1=O ZINC000009188619 570551300 /nfs/dbraw/zinc/55/13/00/570551300.db2.gz FUWCVIFNTICPPS-YVLHZVERSA-N 0 0 389.929 5.453 40 10 GKCBRN CCN(CC)c1ccc(CNC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 ZINC000225341911 570566031 /nfs/dbraw/zinc/56/60/31/570566031.db2.gz USGANFPKVPMWEC-UHFFFAOYSA-N 0 0 379.331 5.089 40 10 GKCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(OC2CCCC2)cc1 ZINC000225425460 570572806 /nfs/dbraw/zinc/57/28/06/570572806.db2.gz NMBCXUKAKLOCIX-UHFFFAOYSA-N 0 0 395.572 5.095 40 10 GKCBRN CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000011859519 570588788 /nfs/dbraw/zinc/58/87/88/570588788.db2.gz CZGLGEGNYDKASX-CNNODRBYSA-N 0 0 380.919 5.649 40 10 GKCBRN C[C@@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225587882 570591856 /nfs/dbraw/zinc/59/18/56/570591856.db2.gz ZPDHBPGSZIEKBE-OAQYLSRUSA-N 0 0 390.571 5.612 40 10 GKCBRN CC(C)c1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000225653936 570598394 /nfs/dbraw/zinc/59/83/94/570598394.db2.gz AWLAQHPRCMBTRU-LJQANCHMSA-N 0 0 395.616 6.094 40 10 GKCBRN C[C@@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(N2CCC(C)CC2)cc1 ZINC000225655443 570598752 /nfs/dbraw/zinc/59/87/52/570598752.db2.gz BYGJAHLXCNCKBC-OAHLLOKOSA-N 0 0 389.515 5.249 40 10 GKCBRN C[C@@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225655778 570598921 /nfs/dbraw/zinc/59/89/21/570598921.db2.gz UOSNUXQTLAWMHG-OAHLLOKOSA-N 0 0 389.515 5.249 40 10 GKCBRN CC(C)c1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000225662820 570599591 /nfs/dbraw/zinc/59/95/91/570599591.db2.gz VNFLVYAYOMUCLQ-GOSISDBHSA-N 0 0 381.589 5.848 40 10 GKCBRN Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000225667257 570600110 /nfs/dbraw/zinc/60/01/10/570600110.db2.gz PILQGWRUUIRHAC-IEBWSBKVSA-N 0 0 381.589 5.587 40 10 GKCBRN C[C@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(N2CCCCC2)cc1 ZINC000225664434 570600334 /nfs/dbraw/zinc/60/03/34/570600334.db2.gz VKMXXECIKXJMQE-AWEZNQCLSA-N 0 0 375.488 5.003 40 10 GKCBRN Cc1cc(C)cc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000225667384 570600635 /nfs/dbraw/zinc/60/06/35/570600635.db2.gz AEAXRGSCOIBSHA-VQIMIIECSA-N 0 0 381.589 5.587 40 10 GKCBRN CC(C)c1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000225667479 570600702 /nfs/dbraw/zinc/60/07/02/570600702.db2.gz GGIWDCBZDJMZSN-MOPGFXCFSA-N 0 0 395.616 6.094 40 10 GKCBRN CCc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000225668444 570600753 /nfs/dbraw/zinc/60/07/53/570600753.db2.gz QAPAWTRBIBSMMC-QZTJIDSGSA-N 0 0 381.589 5.533 40 10 GKCBRN CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000225670035 570601198 /nfs/dbraw/zinc/60/11/98/570601198.db2.gz YSHWGRSMJAZTMG-MSOLQXFVSA-N 0 0 397.588 5.369 40 10 GKCBRN O=[N+]([N-]c1cc(Cl)ccc1-n1ccnc1)c1cc(Cl)ccc1-n1ccnc1 ZINC000041107824 570615560 /nfs/dbraw/zinc/61/55/60/570615560.db2.gz JDGNPHLJQOGLOP-RWEWTDSWSA-N 0 0 399.241 5.291 40 10 GKCBRN CCN(CCNC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccc(C)cc1 ZINC000225794221 570618091 /nfs/dbraw/zinc/61/80/91/570618091.db2.gz RKQMOIAHTSUBSO-UHFFFAOYSA-N 0 0 397.588 5.129 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc(C)c1 ZINC000004600458 570633515 /nfs/dbraw/zinc/63/35/15/570633515.db2.gz AZLIDQDXVJMYOW-XQNSMLJCSA-N 0 0 382.463 5.380 40 10 GKCBRN Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccccc3)N4)sc2c1 ZINC000058851090 570648122 /nfs/dbraw/zinc/64/81/22/570648122.db2.gz AJPJZRIEWJEGKS-RNHFSVANSA-N 0 0 394.543 7.098 40 10 GKCBRN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000058929105 570649265 /nfs/dbraw/zinc/64/92/65/570649265.db2.gz IPVUQYZAZSLHDF-RLFDGXBXSA-N 0 0 394.780 6.094 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@H]21 ZINC000004959473 570652973 /nfs/dbraw/zinc/65/29/73/570652973.db2.gz AAPAYTYTDVLTTC-CKFHNAJUSA-N 0 0 388.294 5.997 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21 ZINC000004959478 570652994 /nfs/dbraw/zinc/65/29/94/570652994.db2.gz HPBRTNDCSAQOBF-IAMHBRQHSA-N 0 0 398.846 5.251 40 10 GKCBRN O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2F)N1 ZINC000059436990 570653802 /nfs/dbraw/zinc/65/38/02/570653802.db2.gz WKHDQIVMDCQMDY-JPMUSVJPSA-N 0 0 395.433 5.428 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C/c3cc(Cl)ccc3Cl)SC2=S)c1 ZINC000059457443 570654230 /nfs/dbraw/zinc/65/42/30/570654230.db2.gz YIJMXROKPFDNFT-DHDCSXOGSA-N 0 0 380.321 5.708 40 10 GKCBRN CCCCOc1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000059461509 570654705 /nfs/dbraw/zinc/65/47/05/570654705.db2.gz FAXJNBAZHRZSGQ-UHFFFAOYSA-N 0 0 385.463 5.252 40 10 GKCBRN CCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1OC ZINC000059396786 570655530 /nfs/dbraw/zinc/65/55/30/570655530.db2.gz RZRUQEFTUVQMCE-UYRXBGFRSA-N 0 0 399.537 5.198 40 10 GKCBRN Fc1cccc2c1N[C@H](c1cc3c(cc1Br)OCO3)[C@@H]1CC=C[C@H]21 ZINC000004975288 570655555 /nfs/dbraw/zinc/65/55/55/570655555.db2.gz UMFNBCQCUZSNDE-PISHQANHSA-N 0 0 388.236 5.143 40 10 GKCBRN CC(C)CC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1c(O)ccc2ccccc21 ZINC000004977225 570656060 /nfs/dbraw/zinc/65/60/60/570656060.db2.gz DNPTYYMKWYAMNE-VWLOTQADSA-N 0 0 375.512 5.921 40 10 GKCBRN O=C(COc1ncnc2ccccc21)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000005504595 570663586 /nfs/dbraw/zinc/66/35/86/570663586.db2.gz KZDPMSLIYIYCOE-CYYJNZCTSA-N 0 0 383.411 5.063 40 10 GKCBRN COc1ccc(C)cc1N[C@@H](c1ccccc1)c1ccc2ccc(C)nc2c1O ZINC000054621608 570678020 /nfs/dbraw/zinc/67/80/20/570678020.db2.gz CULORMIVCSTWFO-QHCPKHFHSA-N 0 0 384.479 5.767 40 10 GKCBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)C1=O ZINC000409012392 570693549 /nfs/dbraw/zinc/69/35/49/570693549.db2.gz JSZRMGOUAKSIFM-MQMKENTISA-N 0 0 382.529 5.546 40 10 GKCBRN COc1cccc(/C=C2\C=C(c3ccc(-c4ccccc4)cc3)OC2=O)c1OC ZINC000409051842 570695986 /nfs/dbraw/zinc/69/59/86/570695986.db2.gz GOVVGVZXLQROEW-RCCKNPSSSA-N 0 0 384.431 5.352 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2cccc(C)c2)cc1 ZINC000103296820 570724527 /nfs/dbraw/zinc/72/45/27/570724527.db2.gz XUZLERBYJLNEKU-JJIBRWJFSA-N 0 0 395.506 5.204 40 10 GKCBRN Cc1ccc(C2=C/C(=C\c3c4ccccc4cc4ccccc34)C(=O)O2)c(C)c1 ZINC000005542277 570733634 /nfs/dbraw/zinc/73/36/34/570733634.db2.gz MHNQUISTJYDHES-RCCKNPSSSA-N 0 0 376.455 6.591 40 10 GKCBRN CN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC1=S ZINC000006394177 570744107 /nfs/dbraw/zinc/74/41/07/570744107.db2.gz YQVZYQGIBGULSW-VCHYOVAHSA-N 0 0 398.940 5.174 40 10 GKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21 ZINC000006952857 570751373 /nfs/dbraw/zinc/75/13/73/570751373.db2.gz UVDQGVKZCUWINE-FHGNATFXSA-N 0 0 391.254 5.737 40 10 GKCBRN Oc1c([C@@H](Nc2cccc3ccccc32)c2ccccc2)ccc2cccnc21 ZINC000013283039 570752410 /nfs/dbraw/zinc/75/24/10/570752410.db2.gz YDLXQKOBCIJTTR-DEOSSOPVSA-N 0 0 376.459 6.295 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@H]21 ZINC000006963506 570754040 /nfs/dbraw/zinc/75/40/40/570754040.db2.gz JNMLXRALTBBBMP-KSMMKXTCSA-N 0 0 385.807 5.291 40 10 GKCBRN Clc1ccc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@H]32)c(Cl)c1 ZINC000006971357 570754471 /nfs/dbraw/zinc/75/44/71/570754471.db2.gz RNEJDSXTYWOKPA-XWCIJXRUSA-N 0 0 395.127 6.582 40 10 GKCBRN Brc1cccc2c1N[C@H](c1cccc3ccccc31)[C@@H]1CC=C[C@H]21 ZINC000007099417 570756252 /nfs/dbraw/zinc/75/62/52/570756252.db2.gz YMYMFRMECUUBCQ-YRISNDGFSA-N 0 0 376.297 6.429 40 10 GKCBRN O=C(NCc1ccc(N2CCCCC2)cc1)/C(=C/c1ccco1)c1ccccc1 ZINC000010113090 570782347 /nfs/dbraw/zinc/78/23/47/570782347.db2.gz LHACJICBTFZIGH-HKOYGPOVSA-N 0 0 386.495 5.127 40 10 GKCBRN C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000010113077 570782415 /nfs/dbraw/zinc/78/24/15/570782415.db2.gz HDNKQHUSTAEJMP-INIZCTEOSA-N 0 0 388.964 5.127 40 10 GKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc31)N2 ZINC000111478128 570794358 /nfs/dbraw/zinc/79/43/58/570794358.db2.gz HWGSLBXHTZZQOT-TVTNDZMWSA-N 0 0 389.882 6.106 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000013389247 570839824 /nfs/dbraw/zinc/83/98/24/570839824.db2.gz HPBRTNDCSAQOBF-AGKSTNPPSA-N 0 0 398.846 5.251 40 10 GKCBRN Fc1cccc2c1N[C@H](c1cc3c(cc1Br)OCO3)[C@@H]1CC=C[C@@H]21 ZINC000013389557 570839973 /nfs/dbraw/zinc/83/99/73/570839973.db2.gz UMFNBCQCUZSNDE-YRUZYCQGSA-N 0 0 388.236 5.143 40 10 GKCBRN COc1ccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000013389288 570840022 /nfs/dbraw/zinc/84/00/22/570840022.db2.gz LFYKIRDJFXQXEA-FMTVUPSXSA-N 0 0 391.254 5.737 40 10 GKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 ZINC000013638578 570862865 /nfs/dbraw/zinc/86/28/65/570862865.db2.gz WZSGZIHCRBPGCB-SUNYJGFJSA-N 0 0 395.127 6.582 40 10 GKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21 ZINC000014476916 570892600 /nfs/dbraw/zinc/89/26/00/570892600.db2.gz HZWPBGIAGPBLGI-PISHQANHSA-N 0 0 385.121 7.127 40 10 GKCBRN O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@@H]32)c1 ZINC000014472679 570892682 /nfs/dbraw/zinc/89/26/82/570892682.db2.gz SOBXZPAYMNTNLZ-OAVHHTNSSA-N 0 0 395.673 6.382 40 10 GKCBRN O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@@H](c1ccccc1)[C@H]1CC=C[C@@H]21 ZINC000102070240 570901527 /nfs/dbraw/zinc/90/15/27/570901527.db2.gz QZQQJAYREODZAK-QTEQDKRBSA-N 0 0 385.894 6.398 40 10 GKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@@H]21 ZINC000015228710 570903872 /nfs/dbraw/zinc/90/38/72/570903872.db2.gz VGNLYIWBQOMYOO-SNUQEOBHSA-N 0 0 391.254 5.737 40 10 GKCBRN CCc1ccccc1NC(C)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000017077991 570917340 /nfs/dbraw/zinc/91/73/40/570917340.db2.gz CQMUVZZTKPNIBB-NKFKGCMQSA-N 0 0 381.479 5.386 40 10 GKCBRN CC(Nc1ccc(C)cc1C)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000017077989 570917364 /nfs/dbraw/zinc/91/73/64/570917364.db2.gz UWPZCUYZMFAUAD-NMWGTECJSA-N 0 0 381.479 5.440 40 10 GKCBRN CC(NC1CCCCCC1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000017079944 570918576 /nfs/dbraw/zinc/91/85/76/570918576.db2.gz FDVNDWHBSGDTGE-XLNRJJMWSA-N 0 0 391.490 5.163 40 10 GKCBRN COc1ccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@@H]3C=CC[C@@H]32)cc1OC ZINC000226886341 570954607 /nfs/dbraw/zinc/95/46/07/570954607.db2.gz OXYLVOSSBJVDKV-NQCMUKECSA-N 0 0 376.283 5.837 40 10 GKCBRN Cc1cccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000226869682 570954873 /nfs/dbraw/zinc/95/48/73/570954873.db2.gz OJTZQFIAWZILDG-GJYPPUQNSA-N 0 0 387.264 5.426 40 10 GKCBRN CCN(CC)c1ccc([C@H]2Nc3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000002745707 570988940 /nfs/dbraw/zinc/98/89/40/570988940.db2.gz DXDGSVFNOAJNOS-QHCPKHFHSA-N 0 0 377.532 5.432 40 10 GKCBRN FC(F)(F)c1ccccc1[C@H]1Nc2c(Cl)c(Cl)ccc2[C@H]2C=CC[C@H]21 ZINC000004689307 570989723 /nfs/dbraw/zinc/98/97/23/570989723.db2.gz QYSMKNMMLMUFOC-RVPKQNPDSA-N 0 0 384.228 6.839 40 10 GKCBRN Cc1cc(CN[C@@H](Cc2ccsc2)c2nccs2)ccc1N1CCCC1 ZINC000019570885 571009837 /nfs/dbraw/zinc/00/98/37/571009837.db2.gz IFWJEVNSPGPCFZ-IBGZPJMESA-N 0 0 383.586 5.187 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21 ZINC000005587565 230842226 /nfs/dbraw/zinc/84/22/26/230842226.db2.gz LIUDWWNIJIMIOU-KSMMKXTCSA-N 0 0 375.255 6.037 40 10 GKCBRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000409332428 529383027 /nfs/dbraw/zinc/38/30/27/529383027.db2.gz RLHVHPAGMNQMHC-DQPIFXJKSA-N 0 0 383.538 5.265 40 10 GKCBRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1 ZINC000409331867 529383031 /nfs/dbraw/zinc/38/30/31/529383031.db2.gz PAVAHSJSQPWEIX-RNEAKCBISA-N 0 0 387.501 5.409 40 10 GKCBRN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc31)N2 ZINC000058929015 230940844 /nfs/dbraw/zinc/94/08/44/230940844.db2.gz IHMMOVGWEHAGLG-KUDFPVQQSA-N 0 0 376.843 6.228 40 10 GKCBRN CC[C@@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O ZINC000409344794 529387199 /nfs/dbraw/zinc/38/71/99/529387199.db2.gz HFCCKQFKTAAQFI-JPVKTXQWSA-N 0 0 383.538 5.578 40 10 GKCBRN CC[C@@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2ccc(C)cc2C)C1=O ZINC000409342589 529387518 /nfs/dbraw/zinc/38/75/18/529387518.db2.gz FSJLCKHNPPKPRR-FPXKJXHESA-N 0 0 397.565 5.887 40 10 GKCBRN O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1cccc2ccccc21 ZINC000113831177 231022222 /nfs/dbraw/zinc/02/22/22/231022222.db2.gz KVWAWNQKBJJLJI-LDADJPATSA-N 0 0 381.909 5.899 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccccc3OCC(C)C)SC2=S)c1 ZINC000408599867 231074370 /nfs/dbraw/zinc/07/43/70/231074370.db2.gz NGISOKZJEDMHLE-UNOMPAQXSA-N 0 0 383.538 5.436 40 10 GKCBRN O=C1NC(=S)SC1=CC1=CC(=NNc2cccc3ccccc32)C=CC1=O ZINC000408726829 231106253 /nfs/dbraw/zinc/10/62/53/231106253.db2.gz VGBKCZJNZNNSRM-OUNVDXJTSA-N 0 0 391.477 5.450 40 10 GKCBRN Cc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408840256 231120468 /nfs/dbraw/zinc/12/04/68/231120468.db2.gz CXWSTUNDGWKLLP-KGENOOAVSA-N 0 0 388.854 5.189 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2cccc(C)c2)cc1 ZINC000408840218 231120496 /nfs/dbraw/zinc/12/04/96/231120496.db2.gz CLPYCTVGPWHMFP-RCCKNPSSSA-N 0 0 397.434 5.046 40 10 GKCBRN Cc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408841867 231120771 /nfs/dbraw/zinc/12/07/71/231120771.db2.gz IGDLDCFINHOPKD-KGENOOAVSA-N 0 0 390.845 5.622 40 10 GKCBRN O=C1/C(=C\c2ccc3[nH]c4ccccc4c3c2)SC(=S)N1c1ccccc1 ZINC000408902634 231127056 /nfs/dbraw/zinc/12/70/56/231127056.db2.gz PAXNKXXCCUYCQP-DEDYPNTBSA-N 0 0 386.501 5.727 40 10 GKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1cc(C)ccc1C ZINC000408902441 231127514 /nfs/dbraw/zinc/12/75/14/231127514.db2.gz NSTSYHVTFMWBCL-HZHRSRAPSA-N 0 0 383.495 5.517 40 10 GKCBRN Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1N1CCCCC1 ZINC000408902147 231127543 /nfs/dbraw/zinc/12/75/43/231127543.db2.gz KVVFQWJOTQJLDE-HMMYKYKNSA-N 0 0 378.497 5.226 40 10 GKCBRN Cc1ccc(NN=C2C=CC(=O)C(C=C3SC(=S)N(C)C3=O)=C2)cc1C ZINC000408727748 231106711 /nfs/dbraw/zinc/10/67/11/231106711.db2.gz RTVVDVBDJHWGHX-KQHCDTJNSA-N 0 0 383.498 5.255 40 10 GKCBRN Cc1cc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c(C)n1-c1ccc(F)cc1 ZINC000408735588 231107651 /nfs/dbraw/zinc/10/76/51/231107651.db2.gz UTLKJJICSBEAKP-UHFFFAOYSA-N 0 0 393.487 5.489 40 10 GKCBRN Cc1cc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c(C)n1-c1ccc(C)cc1 ZINC000408734494 231108219 /nfs/dbraw/zinc/10/82/19/231108219.db2.gz HCIDBARXASIERL-UHFFFAOYSA-N 0 0 389.524 5.659 40 10 GKCBRN CN(C)C(=S)Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000408735885 231108508 /nfs/dbraw/zinc/10/85/08/231108508.db2.gz XXMGYHXARJXUMD-UHFFFAOYSA-N 0 0 383.476 5.315 40 10 GKCBRN CCc1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc31)[C@H]1CC=C[C@@H]21 ZINC000408737511 231108581 /nfs/dbraw/zinc/10/85/81/231108581.db2.gz UGLLSKPHTBDMBN-YRLRHBCXSA-N 0 0 375.515 7.382 40 10 GKCBRN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000408737240 231108714 /nfs/dbraw/zinc/10/87/14/231108714.db2.gz ARYVZBYXPFKNSQ-HAVVHWLPSA-N 0 0 395.502 6.290 40 10 GKCBRN COc1ccc(C=C2C=C(c3ccccc3)N(c3ccc(C(C)=O)cc3)C2=O)cc1 ZINC000408737282 231108734 /nfs/dbraw/zinc/10/87/34/231108734.db2.gz BHLGORPQEWGGAI-CJLVFECKSA-N 0 0 395.458 5.369 40 10 GKCBRN FC(F)(F)c1cccc2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 ZINC000408737129 231108848 /nfs/dbraw/zinc/10/88/48/231108848.db2.gz KKTXUVDDQPIFHL-KEYYUXOJSA-N 0 0 394.234 6.294 40 10 GKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1Br ZINC000408740555 231109176 /nfs/dbraw/zinc/10/91/76/231109176.db2.gz CCPRZBRXTOWDBU-MDWZMJQESA-N 0 0 391.648 5.092 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccccc2Cl)cc1 ZINC000408752947 231112143 /nfs/dbraw/zinc/11/21/43/231112143.db2.gz KDHGAFDQOHUIQY-CPNJWEJPSA-N 0 0 378.884 5.544 40 10 GKCBRN O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000408766961 231112442 /nfs/dbraw/zinc/11/24/42/231112442.db2.gz XVCHQTCHLIKGCT-DEDYPNTBSA-N 0 0 394.808 5.453 40 10 GKCBRN Cc1cccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccc(F)cc2)c1 ZINC000408764597 231112657 /nfs/dbraw/zinc/11/26/57/231112657.db2.gz JLWLVJHTTZNUHB-XQNSMLJCSA-N 0 0 399.469 5.035 40 10 GKCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccc(Cl)cc2)N1c1ccc(O)cc1 ZINC000408767164 231112743 /nfs/dbraw/zinc/11/27/43/231112743.db2.gz WBYIEJDSILVFSX-DEDYPNTBSA-N 0 0 392.817 5.019 40 10 GKCBRN O=C1/C(=C\c2cccs2)N=C(c2ccc(Cl)cc2)N1c1ccc(F)cc1 ZINC000408764606 231112828 /nfs/dbraw/zinc/11/28/28/231112828.db2.gz XTYCMXPSZFPYOA-LDADJPATSA-N 0 0 382.847 5.375 40 10 GKCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2Cl)N1c1ccccc1 ZINC000408767341 231112962 /nfs/dbraw/zinc/11/29/62/231112962.db2.gz ZKQKHGMURGXVLJ-XSFVSMFZSA-N 0 0 376.818 5.314 40 10 GKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2O)cc1 ZINC000408786340 231114423 /nfs/dbraw/zinc/11/44/23/231114423.db2.gz HSMWSFVPPHXJOZ-XMHGGMMESA-N 0 0 398.418 5.080 40 10 GKCBRN Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408808937 231116239 /nfs/dbraw/zinc/11/62/39/231116239.db2.gz FYKNLSBOKNJOJE-KGENOOAVSA-N 0 0 388.492 5.427 40 10 GKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1Cl ZINC000408966415 231137037 /nfs/dbraw/zinc/13/70/37/231137037.db2.gz MQPFZEMQAHOOCV-UHFFFAOYSA-N 0 0 381.100 6.522 40 10 GKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1cccc(Br)c1 ZINC000408968481 231138182 /nfs/dbraw/zinc/13/81/82/231138182.db2.gz ZJZKWGOWOCQFLY-UHFFFAOYSA-N 0 0 391.106 5.978 40 10 GKCBRN Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408967373 231138241 /nfs/dbraw/zinc/13/82/41/231138241.db2.gz QEKWLYGCUBHCAY-MOSHPQCFSA-N 0 0 396.556 5.836 40 10 GKCBRN O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc(F)cc1F ZINC000408987000 231142216 /nfs/dbraw/zinc/14/22/16/231142216.db2.gz UIKLVUOSLNZUPK-SFQUDFHCSA-N 0 0 393.820 6.090 40 10 GKCBRN O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000408987376 231142521 /nfs/dbraw/zinc/14/25/21/231142521.db2.gz WZGMPBFJRUTELE-NBVRZTHBSA-N 0 0 392.285 6.465 40 10 GKCBRN O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccccc1 ZINC000408983458 231142562 /nfs/dbraw/zinc/14/25/62/231142562.db2.gz BXCRBEJEMCQLKW-QGOAFFKASA-N 0 0 392.285 6.465 40 10 GKCBRN Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000409017271 231146606 /nfs/dbraw/zinc/14/66/06/231146606.db2.gz LVNHCSFHTKOODJ-VCHYOVAHSA-N 0 0 388.920 5.501 40 10 GKCBRN Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000409022855 231148894 /nfs/dbraw/zinc/14/88/94/231148894.db2.gz UYOUFMLZKXAOEY-UDWIEESQSA-N 0 0 382.529 5.662 40 10 GKCBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(c2ccccc2Cl)C1=O ZINC000409057160 231151995 /nfs/dbraw/zinc/15/19/95/231151995.db2.gz UNNYQDWJBGFZIL-UYRXBGFRSA-N 0 0 398.915 5.490 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000409162913 231173697 /nfs/dbraw/zinc/17/36/97/231173697.db2.gz JMUHBTNZXTUVBN-IIDMSEBBSA-N 0 0 394.234 6.294 40 10 GKCBRN O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(Cl)ccc(C(F)(F)F)c2[C@@H]2C=CC[C@H]21 ZINC000409164119 231173567 /nfs/dbraw/zinc/17/35/67/231173567.db2.gz CPPONOQRCDEHNP-CZIZLABSSA-N 0 0 394.780 6.094 40 10 GKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000409164169 231173571 /nfs/dbraw/zinc/17/35/71/231173571.db2.gz DKUVCLFOHHLQTQ-BIENJYKASA-N 0 0 399.834 5.600 40 10 GKCBRN CCn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21 ZINC000409138449 231170296 /nfs/dbraw/zinc/17/02/96/231170296.db2.gz BZBHCEIHLDYAIA-UYRXBGFRSA-N 0 0 384.570 5.443 40 10 GKCBRN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000409153368 231171798 /nfs/dbraw/zinc/17/17/98/231171798.db2.gz HUYMKMOJPNBVEY-PEBVRCNWSA-N 0 0 395.673 6.382 40 10 GKCBRN Fc1cc(Br)cc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 ZINC000409151242 231171844 /nfs/dbraw/zinc/17/18/44/231171844.db2.gz ARLJMKVOKHUVSL-JJRVBVJISA-N 0 0 378.672 6.068 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000409154329 231171848 /nfs/dbraw/zinc/17/18/48/231171848.db2.gz GTCOGNYLPAZEIW-VBHSOAQHSA-N 0 0 384.228 6.839 40 10 GKCBRN Fc1cc(Br)cc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 ZINC000409151245 231171892 /nfs/dbraw/zinc/17/18/92/231171892.db2.gz ARLJMKVOKHUVSL-JKIFEVAISA-N 0 0 378.672 6.068 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Br)N2 ZINC000409161042 231172843 /nfs/dbraw/zinc/17/28/43/231172843.db2.gz STJYABAGBDHIDY-SNUQEOBHSA-N 0 0 394.234 6.294 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Br)N2 ZINC000409161043 231173122 /nfs/dbraw/zinc/17/31/22/231173122.db2.gz STJYABAGBDHIDY-VBHSOAQHSA-N 0 0 394.234 6.294 40 10 GKCBRN FC(F)(F)c1ccccc1[C@@H]1Nc2c(cccc2C(F)(F)F)[C@@H]2C=CC[C@@H]21 ZINC000409165227 231173460 /nfs/dbraw/zinc/17/34/60/231173460.db2.gz UZXIBSZOPGIAIO-BWACUDIHSA-N 0 0 383.335 6.551 40 10 GKCBRN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000409166184 231173468 /nfs/dbraw/zinc/17/34/68/231173468.db2.gz COILFAZAZNXSQG-VGTOOOLASA-N 0 0 395.673 6.382 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000409163202 231173742 /nfs/dbraw/zinc/17/37/42/231173742.db2.gz NMJZWGJDQLUNBT-BIENJYKASA-N 0 0 375.255 6.037 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000409169164 231173756 /nfs/dbraw/zinc/17/37/56/231173756.db2.gz PILQAPVRYAYIEN-RKVPGOIHSA-N 0 0 394.234 6.294 40 10 GKCBRN Fc1cc(Br)cc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21 ZINC000409165289 231173866 /nfs/dbraw/zinc/17/38/66/231173866.db2.gz VYUPFVBQPRFACV-GRDNDAEWSA-N 0 0 378.672 6.068 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@@H]21 ZINC000409163153 231173905 /nfs/dbraw/zinc/17/39/05/231173905.db2.gz MNRZDICEUSGMOX-LPMFXHHGSA-N 0 0 385.261 5.492 40 10 GKCBRN Fc1cc(Br)cc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21 ZINC000409165288 231173988 /nfs/dbraw/zinc/17/39/88/231173988.db2.gz VYUPFVBQPRFACV-CKEIUWERSA-N 0 0 378.672 6.068 40 10 GKCBRN Fc1cc(Br)cc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21 ZINC000409165290 231174082 /nfs/dbraw/zinc/17/40/82/231174082.db2.gz VYUPFVBQPRFACV-JJRVBVJISA-N 0 0 378.672 6.068 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21 ZINC000409163154 231174109 /nfs/dbraw/zinc/17/41/09/231174109.db2.gz MNRZDICEUSGMOX-TYILLQQXSA-N 0 0 385.261 5.492 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000409174518 231174589 /nfs/dbraw/zinc/17/45/89/231174589.db2.gz MZFCHQYTSRRBAM-VBHSOAQHSA-N 0 0 384.228 6.839 40 10 GKCBRN O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409176624 231174749 /nfs/dbraw/zinc/17/47/49/231174749.db2.gz SVNGMSXVQYFSII-VCHYOVAHSA-N 0 0 399.899 6.038 40 10 GKCBRN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(F)(F)F)N2 ZINC000409173508 231174837 /nfs/dbraw/zinc/17/48/37/231174837.db2.gz IZOJIWFHEHYUQI-PSTGCABASA-N 0 0 394.780 6.094 40 10 GKCBRN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2)N1CCCCC1 ZINC000409381623 231198017 /nfs/dbraw/zinc/19/80/17/231198017.db2.gz UZIIACNQCVQSNC-ZRCGQRJVSA-N 0 0 392.930 5.793 40 10 GKCBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(c2cccc(Cl)c2)C1=O ZINC000409325171 231190216 /nfs/dbraw/zinc/19/02/16/231190216.db2.gz XNJXNKBBOKKCEF-UNOMPAQXSA-N 0 0 398.915 5.490 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(C(F)(F)F)c3)SC2=S)cc1 ZINC000409326914 231190303 /nfs/dbraw/zinc/19/03/03/231190303.db2.gz GLOXFEUIPKSWHQ-GDNBJRDFSA-N 0 0 379.428 5.420 40 10 GKCBRN CSc1cccc(N2C(=O)/C(=C\C(C)=C\c3ccccc3)SC2=S)c1 ZINC000409333611 231190583 /nfs/dbraw/zinc/19/05/83/231190583.db2.gz UUBHZWFCVPSLKX-JOEZZVDMSA-N 0 0 383.563 5.761 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)SC2=S)c(C)c1 ZINC000409332265 231190593 /nfs/dbraw/zinc/19/05/93/231190593.db2.gz QOFATAIYXABWRB-MHWRWJLKSA-N 0 0 393.455 5.728 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C/c3cn(C(C)C)c4ccccc34)SC2=S)c1 ZINC000409330097 231190776 /nfs/dbraw/zinc/19/07/76/231190776.db2.gz JQIPBFCOEPIOEP-NDENLUEZSA-N 0 0 392.549 5.936 40 10 GKCBRN O=C1/C(=C/c2cccc(C(F)(F)F)c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000409339685 231191603 /nfs/dbraw/zinc/19/16/03/231191603.db2.gz KNXHESXVRYWEEP-ZROIWOOFSA-N 0 0 399.846 5.765 40 10 GKCBRN COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c2ccccc12 ZINC000409339298 231191975 /nfs/dbraw/zinc/19/19/75/231191975.db2.gz TVIMEQGUYJQELG-MOSHPQCFSA-N 0 0 391.517 5.563 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)SC2=S)c(C)c1 ZINC000409335117 231192088 /nfs/dbraw/zinc/19/20/88/231192088.db2.gz XONQROSLLVDFDU-SXGWCWSVSA-N 0 0 375.902 5.068 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(C)C)cc3)SC2=S)cc1C ZINC000409341240 231192422 /nfs/dbraw/zinc/19/24/22/231192422.db2.gz AMTREOQPYYTEOT-NDENLUEZSA-N 0 0 397.565 5.744 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(Cl)c3Cl)SC2=S)cc1 ZINC000409341856 231192481 /nfs/dbraw/zinc/19/24/81/231192481.db2.gz CCDLOKAEZQPBQP-ZROIWOOFSA-N 0 0 380.321 5.708 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C/c3cccc(C(F)(F)F)c3)SC2=S)c1 ZINC000409341388 231192683 /nfs/dbraw/zinc/19/26/83/231192683.db2.gz BOJSHPQZRCUACU-GDNBJRDFSA-N 0 0 379.428 5.420 40 10 GKCBRN Cc1c(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)c2ccccc2n1C ZINC000409342052 231192815 /nfs/dbraw/zinc/19/28/15/231192815.db2.gz BGDHJHHKJYPGCN-XDHOZWIPSA-N 0 0 378.522 5.201 40 10 GKCBRN CSc1cccc(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)c1 ZINC000409340179 231192845 /nfs/dbraw/zinc/19/28/45/231192845.db2.gz RSFWPHNUDDNFDK-XDHOZWIPSA-N 0 0 393.558 5.968 40 10 GKCBRN O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409341510 231193111 /nfs/dbraw/zinc/19/31/11/231193111.db2.gz BKJDSKUHPFYVLN-AUWJEWJLSA-N 0 0 384.284 5.538 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)SC2=S)c1 ZINC000409345997 231193428 /nfs/dbraw/zinc/19/34/28/231193428.db2.gz MFNZYIVCIMDWSQ-ZHZULCJRSA-N 0 0 394.565 5.309 40 10 GKCBRN Cc1c(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)c2ccccc2n1C ZINC000409348466 231194026 /nfs/dbraw/zinc/19/40/26/231194026.db2.gz SVWNCNSMEMWHMY-XDHOZWIPSA-N 0 0 378.522 5.201 40 10 GKCBRN CCc1cccc2c(/C=C3/SC(=S)N(c4cccc(C)c4)C3=O)c[nH]c21 ZINC000409343486 529548849 /nfs/dbraw/zinc/54/88/49/529548849.db2.gz GZZNFNSVGMCVRK-WOJGMQOQSA-N 0 0 378.522 5.445 40 10 GKCBRN CCc1cccc2c(/C=C3/SC(=S)N(c4ccc(C)cc4C)C3=O)c[nH]c21 ZINC000409345370 529549011 /nfs/dbraw/zinc/54/90/11/529549011.db2.gz LKLCGFUQLTZZML-YBFXNURJSA-N 0 0 392.549 5.753 40 10 GKCBRN CCc1cccc2c(/C=C3\SC(=S)N(c4ccccc4C)C3=O)c[nH]c21 ZINC000409350719 529549036 /nfs/dbraw/zinc/54/90/36/529549036.db2.gz SHWJWKPHLFUKLY-WQRHYEAKSA-N 0 0 378.522 5.445 40 10 GKCBRN CCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@@H](C)CC)C3=O)c2C)cc1 ZINC000409019518 529580084 /nfs/dbraw/zinc/58/00/84/529580084.db2.gz ZNVNNJXWYPEYHS-ZXOFLVKFSA-N 0 0 382.529 5.491 40 10 GKCBRN CCc1ccccc1NC=C1C(=O)N(c2ccc(Br)c(C)c2)N=C1C ZINC000408526908 529586023 /nfs/dbraw/zinc/58/60/23/529586023.db2.gz CRBXFINSUNARNH-ATVHPVEESA-N 0 0 398.304 5.038 40 10 GKCBRN CCc1ccccc1N1C(=O)/C(=C/c2ccccc2)C=C1c1ccc(Cl)cc1 ZINC000408986637 529586079 /nfs/dbraw/zinc/58/60/79/529586079.db2.gz RSUVYJVBUTYULF-LTGZKZEYSA-N 0 0 385.894 6.374 40 10 GKCBRN CCc1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@H]32)cc1 ZINC000409165938 529718334 /nfs/dbraw/zinc/71/83/34/529718334.db2.gz BMXOTKMGYGFDIM-CLCXKQKWSA-N 0 0 377.837 6.748 40 10 GKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(C(C)C)C2=O)c1C ZINC000408959546 529733696 /nfs/dbraw/zinc/73/36/96/529733696.db2.gz AUQMHLVCDAAENU-UNOMPAQXSA-N 0 0 382.529 5.410 40 10 GKCBRN CCOc1c(/N=N/c2ccc(Cl)cc2Cl)c(C)nn1C(=S)SC ZINC000017142260 210205950 /nfs/dbraw/zinc/20/59/50/210205950.db2.gz CBRFAWIRMOMAAG-ISLYRVAYSA-N 0 0 389.333 5.808 40 10 GKCBRN COc1cc(OC)c(/N=N\c2c(C)nc(N)nc2-c2ccccc2)cc1Cl ZINC000016951218 210199255 /nfs/dbraw/zinc/19/92/55/210199255.db2.gz JXJBDZNYUXQHEV-IZHYLOQSSA-N 0 0 383.839 5.120 40 10 GKCBRN C=CC=CC(=CC)C(Nc1ccc(OC)cc1)=C1C(C)=NN(c2ccccc2)C1=O ZINC000016137305 210184897 /nfs/dbraw/zinc/18/48/97/210184897.db2.gz ATOPHOQEVLFXLV-OBSDJSFISA-N 0 0 399.494 5.472 40 10 GKCBRN CCOc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000225654389 222687611 /nfs/dbraw/zinc/68/76/11/222687611.db2.gz VSPLAPIWOSTQQO-GOSISDBHSA-N 0 0 397.588 5.369 40 10 GKCBRN C[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(N2CCC(C)CC2)cc1 ZINC000225632632 222687761 /nfs/dbraw/zinc/68/77/61/222687761.db2.gz LCBSXXBCLMXYAV-IBGZPJMESA-N 0 0 376.544 5.293 40 10 GKCBRN COc1cc(C)c(C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1C(C)C ZINC000225667172 222688945 /nfs/dbraw/zinc/68/89/45/222688945.db2.gz FHTNPKQXWCOXCS-IBGZPJMESA-N 0 0 394.559 5.608 40 10 GKCBRN CCOc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000225656049 222689253 /nfs/dbraw/zinc/68/92/53/222689253.db2.gz YKFCPRRXNNKMHY-GOSISDBHSA-N 0 0 397.588 5.369 40 10 GKCBRN CC(C)Oc1ccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000225691880 222689878 /nfs/dbraw/zinc/68/98/78/222689878.db2.gz FZTPLAGCHVQJMY-GOSISDBHSA-N 0 0 397.588 5.197 40 10 GKCBRN CC(=O)Nc1ccc2c(c1)/C(=C/C=C\c1ccc(N(C)C)cc1)c1ccccc1-2 ZINC000008581598 209786662 /nfs/dbraw/zinc/78/66/62/209786662.db2.gz KAMGWGIWDCGLRR-CZPVMWGFSA-N 0 0 380.491 5.837 40 10 GKCBRN CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000005928843 209621461 /nfs/dbraw/zinc/62/14/61/209621461.db2.gz MZGUQJGIYALWQA-DEDYPNTBSA-N 0 0 390.870 6.023 40 10 GKCBRN O=c1c2ccccc2c(=O)c2c1ccc1[nH]c3ccccc3n(-c3ccccc3)c12 ZINC000004522760 209494350 /nfs/dbraw/zinc/49/43/50/209494350.db2.gz SFJAMILOEWDTPE-UHFFFAOYSA-N 0 0 388.426 5.139 40 10 GKCBRN Fc1ccccc1[C@H]1Nc2ccc(I)cc2[C@H]2C=CC[C@H]21 ZINC000004191952 209469889 /nfs/dbraw/zinc/46/98/89/209469889.db2.gz YZWAHQXDJPAJTQ-JCGVRSQUSA-N 0 0 391.227 5.257 40 10 GKCBRN CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000002413493 209362514 /nfs/dbraw/zinc/36/25/14/209362514.db2.gz OQFOSWWVQFIXKQ-VMYWLTDYSA-N 0 0 398.507 5.253 40 10 GKCBRN CCOC(=O)c1ccccc1N[C@@H](c1ccccc1)c1ccc2cccnc2c1O ZINC000001587770 209333870 /nfs/dbraw/zinc/33/38/70/209333870.db2.gz CFRIVAVQXGZCHZ-QFIPXVFZSA-N 0 0 398.462 5.319 40 10 GKCBRN CCC1=C(c2ccc(OC)cc2)C(C)(C)Oc2c1ccc(O)c2C[NH+]1CCCC1 ZINC000001760391 212255955 /nfs/dbraw/zinc/25/59/55/212255955.db2.gz SBRIHEHOOSDSDU-UHFFFAOYSA-N 0 0 393.527 5.488 40 10 in-vitro GKCBRN CCN(CC)c1ccc([C@H](NC[C@H]2CCCCO2)C(Cl)(Cl)Cl)cc1 ZINC000001667977 212254583 /nfs/dbraw/zinc/25/45/83/212254583.db2.gz LQBYSZDCMCCWBY-SJORKVTESA-N 0 0 393.786 5.103 40 10 GKCBRN COc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000222369887 212114158 /nfs/dbraw/zinc/11/41/58/212114158.db2.gz ZVEKCJLWAYVIIO-VBHSOAQHSA-N 0 0 391.254 5.737 40 10 GKCBRN CCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=S ZINC000006757831 212070482 /nfs/dbraw/zinc/07/04/82/212070482.db2.gz KJJWBVWNVZPKSQ-BOPFTXTBSA-N 0 0 389.929 5.140 40 10 GKCBRN CCOc1ccccc1N1C(=O)/C(=C/C(C)=C\c2ccccc2)SC1=S ZINC000005960303 212066193 /nfs/dbraw/zinc/06/61/93/212066193.db2.gz DUCNHXXEIROKAX-BRNLPKLHSA-N 0 0 381.522 5.437 40 10 GKCBRN CCc1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)cc1 ZINC000005371530 204128259 /nfs/dbraw/zinc/12/82/59/204128259.db2.gz YWHLISFQJDVELT-UNOMPAQXSA-N 0 0 378.522 5.147 40 10 GKCBRN COc1ccc(CCN2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)cc1 ZINC000005371658 204127878 /nfs/dbraw/zinc/12/78/78/204127878.db2.gz FSWGWOXOAMXUOR-ZHZULCJRSA-N 0 0 397.565 5.263 40 10 GKCBRN Cc1ccc(COc2ccc(/C=C3\SC(=S)N(C(C)(C)C)C3=O)cc2)cc1 ZINC000005371471 204128869 /nfs/dbraw/zinc/12/88/69/204128869.db2.gz WVZZWBCVZQXZKW-UYRXBGFRSA-N 0 0 397.565 5.574 40 10 GKCBRN COc1ccc(CCN2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)cc1 ZINC000005372193 204129853 /nfs/dbraw/zinc/12/98/53/204129853.db2.gz DCMCJFQMRONHKR-GEZYKDBCSA-N 0 0 395.549 5.085 40 10 GKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1 ZINC000005551868 204139336 /nfs/dbraw/zinc/13/93/36/204139336.db2.gz ISSSTIOAHYJQJL-AQTBWJFISA-N 0 0 387.957 6.088 40 10 GKCBRN [O-]c1c(-c2ccccc2)sc2c3ccccc3c(-c3ccc(Cl)cc3)n[n+]12 ZINC000012249682 204387729 /nfs/dbraw/zinc/38/77/29/204387729.db2.gz UJWKSVKIKILFHI-UHFFFAOYSA-O 0 0 389.887 5.728 40 10 GKCBRN CCc1ccccc1NC1=NC(=O)C(=Cc2ccc(Br)cc2)S1 ZINC000020353484 204712586 /nfs/dbraw/zinc/71/25/86/204712586.db2.gz VWBVAYIGRYFPGD-LFIBNONCSA-N 0 0 387.302 5.094 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F ZINC000100147763 209124290 /nfs/dbraw/zinc/12/42/90/209124290.db2.gz XWHHLTQSKJUTQY-RCCKNPSSSA-N 0 0 386.426 5.211 40 10 GKCBRN CCN1c2ccccc2C(C)(C)/C1=C\C=C\[C@H]1N(CC)c2ccccc2C1(C)C ZINC000065740272 205239952 /nfs/dbraw/zinc/23/99/52/205239952.db2.gz LCCNORCLQFTDDF-CMGOYKTCSA-N 0 0 386.583 6.431 40 10 in-vitro GKCBRN Nc1nc(-c2ccc(Cl)cc2)c(N=Nc2ccc(Br)cc2)s1 ZINC000104133976 205651012 /nfs/dbraw/zinc/65/10/12/205651012.db2.gz LNCHAYXRFGJMRB-MRCUWXFGSA-N 0 0 393.697 6.054 40 10 GKCBRN COc1cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1 ZINC000004893416 205754549 /nfs/dbraw/zinc/75/45/49/205754549.db2.gz OTLMYFCYWMLDOB-HMAPJEAMSA-N 0 0 398.458 5.564 40 10 GKCBRN CC1=NN(c2ccccc2)C(=S)C1=CNc1ccc(N=Nc2ccccc2)cc1 ZINC000100548268 205803644 /nfs/dbraw/zinc/80/36/44/205803644.db2.gz VADQCXDTYYUJSA-CENQWQLUSA-N 0 0 397.507 6.621 40 10 GKCBRN CCN(CC)c1ccc(CNC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000223848411 206006977 /nfs/dbraw/zinc/00/69/77/206006977.db2.gz WBYSAAVSNQSQIY-UHFFFAOYSA-N 0 0 386.539 5.371 40 10 GKCBRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000225426689 206047628 /nfs/dbraw/zinc/04/76/28/206047628.db2.gz NJRMOQZCIXJVAB-FQEVSTJZSA-N 0 0 394.559 5.192 40 10 GKCBRN Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C ZINC000225653875 206064242 /nfs/dbraw/zinc/06/42/42/206064242.db2.gz TYEWAGKEESLZTK-LJQANCHMSA-N 0 0 381.589 5.587 40 10 GKCBRN CCOc1ccccc1NC(=S)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000225663323 206064547 /nfs/dbraw/zinc/06/45/47/206064547.db2.gz WNFFUVDGBFRNDA-KRWDZBQOSA-N 0 0 383.561 5.123 40 10 GKCBRN CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000225665099 206065116 /nfs/dbraw/zinc/06/51/16/206065116.db2.gz TVWGFYBWLMGCJR-KRWDZBQOSA-N 0 0 383.561 5.123 40 10 GKCBRN C[C@H](NC(=S)Nc1c(F)cccc1F)c1ccc(N2CCCCC2)cc1 ZINC000225664808 206065436 /nfs/dbraw/zinc/06/54/36/206065436.db2.gz SEPSBIFTEAPYPF-AWEZNQCLSA-N 0 0 375.488 5.003 40 10 GKCBRN Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000225667230 206065585 /nfs/dbraw/zinc/06/55/85/206065585.db2.gz PILQGWRUUIRHAC-MJGOQNOKSA-N 0 0 381.589 5.587 40 10 GKCBRN CC(C)c1ccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000225689474 206067497 /nfs/dbraw/zinc/06/74/97/206067497.db2.gz UDQALVAZHDSXMY-GOSISDBHSA-N 0 0 381.589 5.533 40 10 GKCBRN C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(F)c(Cl)c3)cc2)C1 ZINC000225690781 206067604 /nfs/dbraw/zinc/06/76/04/206067604.db2.gz UMBPKVSYAOUDGH-CQSZACIVSA-N 0 0 391.943 5.202 40 10 GKCBRN Cc1cc(CN(C)C(=O)c2ccc3oc(Cl)nc3c2)c(C)n1-c1ccccc1 ZINC000225985768 206087226 /nfs/dbraw/zinc/08/72/26/206087226.db2.gz UFEFZCQEYSQFIH-UHFFFAOYSA-N 0 0 393.874 5.161 40 10 GKCBRN Cc1ccc(C(=O)Nc2cc3c4c(c2)[C@@H]2C=CC[C@H]2CN4C[C@@H]2CC=C[C@@H]32)cc1 ZINC000229923300 206111105 /nfs/dbraw/zinc/11/11/05/206111105.db2.gz RLPNGAYKCGQFGU-SEIRJHJZSA-N 0 0 382.507 5.400 40 10 GKCBRN CC1CCN(c2ccc(CNc3cccc4ccccc43)cc2[N+](=O)[O-])CC1 ZINC000226241964 206259501 /nfs/dbraw/zinc/25/95/01/206259501.db2.gz JKAUYXWLQOUHJB-UHFFFAOYSA-N 0 0 375.472 5.596 40 10 GKCBRN c1sc(=Nc2ccccc2)n(-c2ccccc2)c1-c1ccc2c(c1)OCCO2 ZINC000001293744 206372152 /nfs/dbraw/zinc/37/21/52/206372152.db2.gz PMZOYCNXXHWOIL-UHFFFAOYSA-O 0 0 387.484 5.207 40 10 GKCBRN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000024539762 207292526 /nfs/dbraw/zinc/29/25/26/207292526.db2.gz YUXIFBBNHNGFPO-CYYJNZCTSA-N 0 0 384.361 6.077 40 10 GKCBRN COc1ccc(OC)c2c1N[C@@H](c1ccc3c4c(cccc41)CC3)[C@H]1CC=C[C@@H]21 ZINC000408736902 532996613 /nfs/dbraw/zinc/99/66/13/532996613.db2.gz CKDLVZAVKTVZBD-HHJKRLRDSA-N 0 0 383.491 5.782 40 10 GKCBRN O=[N+]([O-])c1ccc(N=NNc2ccc(N=Nc3ccccc3)cc2)c2ccccc21 ZINC000100171694 208373071 /nfs/dbraw/zinc/37/30/71/208373071.db2.gz XXHDVJVLFBXOGN-VHXPQNKSSA-N 0 0 396.410 7.274 40 10 GKCBRN Cc1cc(C)c2c(c1)N[C@H](c1cc3c(cc1Br)OCO3)[C@@H]1CC=C[C@H]21 ZINC000000871834 208483993 /nfs/dbraw/zinc/48/39/93/208483993.db2.gz KCONBCAFNVTJDZ-QTCYRWPVSA-N 0 0 398.300 5.621 40 10 GKCBRN COc1cc(C)c(C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1C(C)C ZINC000225667200 208966193 /nfs/dbraw/zinc/96/61/93/208966193.db2.gz FHTNPKQXWCOXCS-LJQANCHMSA-N 0 0 394.559 5.608 40 10 GKCBRN C[C@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(N2CCCC2)cc1 ZINC000225695081 208969568 /nfs/dbraw/zinc/96/95/68/208969568.db2.gz AUDHYEUNNXUJPP-ZDUSSCGKSA-N 0 0 377.916 5.127 40 10 GKCBRN Cc1cc(CNC(=O)c2ccc3sc(Cl)nc3c2)c(C)n1-c1ccccc1 ZINC000225985915 208986970 /nfs/dbraw/zinc/98/69/70/208986970.db2.gz RRURXWNMHMFOQJ-UHFFFAOYSA-N 0 0 395.915 5.287 40 10 GKCBRN COC(=O)c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 ZINC000004162408 220687271 /nfs/dbraw/zinc/68/72/71/220687271.db2.gz JZVFWTCSLRHXSS-DAYGRLMNSA-N 0 0 384.273 5.062 40 10 GKCBRN FC(F)(F)c1ccccc1[C@H]1Nc2cc(Cl)cc(Cl)c2[C@H]2C=CC[C@@H]21 ZINC000004689689 220747846 /nfs/dbraw/zinc/74/78/46/220747846.db2.gz RMSFNPMEZBGVFQ-PZROIBLQSA-N 0 0 384.228 6.839 40 10 GKCBRN CCCCc1ccc(NC2=NC(=O)C(=Cc3cccc4ccccc34)S2)cc1 ZINC000005520330 220879379 /nfs/dbraw/zinc/87/93/79/220879379.db2.gz CCPIUEXSNCIHDA-JWGURIENSA-N 0 0 386.520 6.265 40 10 GKCBRN Oc1c([C@H](Nc2cccc3cccnc32)c2ccccc2)ccc2cccnc21 ZINC000008617650 221047040 /nfs/dbraw/zinc/04/70/40/221047040.db2.gz RBSPENDGIMQZGB-JOCHJYFZSA-N 0 0 377.447 5.690 40 10 GKCBRN Cc1cc(C)c2c(c1)N[C@H](c1cc3c(cc1Br)OCO3)[C@@H]1CC=C[C@@H]21 ZINC000013151535 221262708 /nfs/dbraw/zinc/26/27/08/221262708.db2.gz KCONBCAFNVTJDZ-LKBUQDJMSA-N 0 0 398.300 5.621 40 10 GKCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000408983765 533265443 /nfs/dbraw/zinc/26/54/43/533265443.db2.gz HOYWDKHUKOSXOR-HAHDFKILSA-N 0 0 397.474 5.021 40 10 GKCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000408769806 533266568 /nfs/dbraw/zinc/26/65/68/533266568.db2.gz PBUUJHHXMIQTPJ-HEQHKCQXSA-N 0 0 397.474 5.274 40 10 GKCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccccc1Cl ZINC000408981827 533266620 /nfs/dbraw/zinc/26/66/20/533266620.db2.gz CDTKSLSPFYDTRB-UYRXBGFRSA-N 0 0 395.886 5.341 40 10 GKCBRN COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)N2 ZINC000408737403 533291007 /nfs/dbraw/zinc/29/10/07/533291007.db2.gz PBEZGEQVWNJRBY-SLSDLSHTSA-N 0 0 397.474 5.741 40 10 GKCBRN COc1ccc(C(=O)Oc2ccc3nc4ccc5ccccc5c4nc3c2)cc1 ZINC000408977581 533352870 /nfs/dbraw/zinc/35/28/70/533352870.db2.gz WSKUMGUFOBLBMN-UHFFFAOYSA-N 0 0 380.403 5.164 40 10 GKCBRN COc1ccc2cc(C3=C/C(=C/c4ccc(C)c([N+](=O)[O-])c4)C(=O)O3)ccc2c1 ZINC000408722545 533326911 /nfs/dbraw/zinc/32/69/11/533326911.db2.gz KAGQWLVGHOOGTM-OCKHKDLRSA-N 0 0 387.391 5.046 40 10 GKCBRN COc1ccc2cc(C3=C/C(=C\c4c(Cl)cccc4Cl)C(=O)O3)ccc2c1 ZINC000408722824 533327099 /nfs/dbraw/zinc/32/70/99/533327099.db2.gz NNYWZCQBLVJNLP-LFIBNONCSA-N 0 0 397.257 6.137 40 10 GKCBRN Cc1[nH]c2c(cccc2C)c1/C=C1/C(=O)N(c2ccccc2)N=C1C(F)(F)F ZINC000409040659 533615148 /nfs/dbraw/zinc/61/51/48/533615148.db2.gz TXYLWPPNGXNICR-GZTJUZNOSA-N 0 0 383.373 5.133 40 10 GKCBRN Cc1[nH]c2c(cccc2C)c1/C=C1/C(=O)N(c2cc(F)c(F)cc2F)N=C1C ZINC000409029707 533616306 /nfs/dbraw/zinc/61/63/06/533616306.db2.gz AMNUGHMTORPRIS-VIZOYTHASA-N 0 0 383.373 5.008 40 10 GKCBRN CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N3C[C@H]1CC=C[C@H]21 ZINC000003998612 136193715 /nfs/dbraw/zinc/19/37/15/136193715.db2.gz ARLIBSQDLKMFGT-DCIYMBNPSA-N 0 0 397.518 5.758 40 10 GKCBRN C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(N2CCC(C)CC2)cc1 ZINC000217855341 136203423 /nfs/dbraw/zinc/20/34/23/136203423.db2.gz JRGCAWHZHWWKSD-HNNXBMFYSA-N 0 0 391.342 5.721 40 10 GKCBRN C[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(N2CCC(C)CC2)cc1 ZINC000217901468 136203454 /nfs/dbraw/zinc/20/34/54/136203454.db2.gz WSJHXZSXLIJKNX-PEKVBPLLSA-N 0 0 382.935 5.467 40 10 GKCBRN C[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000217901645 136203480 /nfs/dbraw/zinc/20/34/80/136203480.db2.gz WHIWEGNJCFYTRL-DESUXHOBSA-N 0 0 382.935 5.467 40 10 GKCBRN C[C@@H](SCc1ccccc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218069717 136203521 /nfs/dbraw/zinc/20/35/21/136203521.db2.gz CJLBYXLEEGDSOO-HSALFYBXSA-N 0 0 396.600 5.422 40 10 GKCBRN C[C@@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218058392 136203522 /nfs/dbraw/zinc/20/35/22/136203522.db2.gz LJVBRHHOCDQXSN-MOPGFXCFSA-N 0 0 382.573 5.281 40 10 GKCBRN Cc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218140017 136203533 /nfs/dbraw/zinc/20/35/33/136203533.db2.gz KZCYXRIMXUQJNT-VAMGGRTRSA-N 0 0 396.600 5.589 40 10 GKCBRN Cc1ccc(CSCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218022946 136203579 /nfs/dbraw/zinc/20/35/79/136203579.db2.gz KGOCIRUZPCFRLS-HXUWFJFHSA-N 0 0 396.600 5.342 40 10 GKCBRN C[C@@H](NC(=O)CCSc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218081547 136203600 /nfs/dbraw/zinc/20/36/00/136203600.db2.gz WBCFQGSYBCDUQB-RTBURBONSA-N 0 0 382.573 5.283 40 10 GKCBRN Cc1ccc(OCCCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218731470 136203768 /nfs/dbraw/zinc/20/37/68/136203768.db2.gz GEGDOWBHMYRKFU-NHCUHLMSSA-N 0 0 394.559 5.268 40 10 GKCBRN COc1cccc2cc(C(=O)N[C@@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)oc21 ZINC000218616720 136203870 /nfs/dbraw/zinc/20/38/70/136203870.db2.gz XLWIHBDLJJFABM-SJORKVTESA-N 0 0 392.499 5.169 40 10 GKCBRN Cc1cc(C)c(C)c(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000218969246 136203886 /nfs/dbraw/zinc/20/38/86/136203886.db2.gz NUMRLYFOXLLNPC-DYESRHJHSA-N 0 0 394.559 5.104 40 10 GKCBRN CC(C)c1ccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218962490 136203935 /nfs/dbraw/zinc/20/39/35/136203935.db2.gz BTADTUZXUWWXOA-UXHICEINSA-N 0 0 394.559 5.303 40 10 GKCBRN CCc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219294944 136204103 /nfs/dbraw/zinc/20/41/03/136204103.db2.gz QSAQRTIOYRFTKV-WOJBJXKFSA-N 0 0 394.559 5.130 40 10 GKCBRN Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1C ZINC000219309960 136204174 /nfs/dbraw/zinc/20/41/74/136204174.db2.gz HYFSQWLRAMTBPI-NHCUHLMSSA-N 0 0 394.559 5.184 40 10 GKCBRN Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C ZINC000219517933 136204267 /nfs/dbraw/zinc/20/42/67/136204267.db2.gz LNEIWOMEMSFWTF-JRGCBEDISA-N 0 0 394.559 5.184 40 10 GKCBRN Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000219533602 136204273 /nfs/dbraw/zinc/20/42/73/136204273.db2.gz NNHBKWJWIYVHIO-HMXCVIKNSA-N 0 0 394.559 5.184 40 10 GKCBRN Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000219549184 136204282 /nfs/dbraw/zinc/20/42/82/136204282.db2.gz MCWSLYIZCGWAIR-RTWAWAEBSA-N 0 0 394.559 5.184 40 10 GKCBRN CC(C)Sc1ccccc1C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219656853 136204332 /nfs/dbraw/zinc/20/43/32/136204332.db2.gz OOKVCYHRRXDZSY-MOPGFXCFSA-N 0 0 396.600 5.914 40 10 GKCBRN CC(C)Sc1ccccc1C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219656926 136204361 /nfs/dbraw/zinc/20/43/61/136204361.db2.gz OOKVCYHRRXDZSY-RTBURBONSA-N 0 0 396.600 5.914 40 10 GKCBRN CCSc1ccccc1C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219649703 136204369 /nfs/dbraw/zinc/20/43/69/136204369.db2.gz VRAYOGBPLPWMRT-QZTJIDSGSA-N 0 0 382.573 5.526 40 10 GKCBRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C ZINC000223088631 136205602 /nfs/dbraw/zinc/20/56/02/136205602.db2.gz STDOHFNBVSWSDR-MJGOQNOKSA-N 0 0 380.532 5.121 40 10 GKCBRN Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000223448604 136205766 /nfs/dbraw/zinc/20/57/66/136205766.db2.gz WGDNKZAOJUIZMI-HXUWFJFHSA-N 0 0 394.559 5.365 40 10 GKCBRN Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000223448549 136205798 /nfs/dbraw/zinc/20/57/98/136205798.db2.gz WGDNKZAOJUIZMI-FQEVSTJZSA-N 0 0 394.559 5.365 40 10 GKCBRN COc1cccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)c1OC ZINC000409164917 533759308 /nfs/dbraw/zinc/75/93/08/533759308.db2.gz PQMJPNNCQXFKHM-SNUQEOBHSA-N 0 0 386.289 5.293 40 10 GKCBRN COc1cccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@H]32)c1OC ZINC000409153818 533759712 /nfs/dbraw/zinc/75/97/12/533759712.db2.gz NHEWNRLEFOMMPI-SNUQEOBHSA-N 0 0 375.390 5.549 40 10 GKCBRN COc1cccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c1OC ZINC000409157917 533760236 /nfs/dbraw/zinc/76/02/36/533760236.db2.gz QPCKQWDBKZEHRU-FHSNZYRGSA-N 0 0 386.835 5.092 40 10 GKCBRN COc1cccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@@H]3C=CC[C@@H]32)c1OC ZINC000409162013 533760516 /nfs/dbraw/zinc/76/05/16/533760516.db2.gz BYZMBAHJHOSACV-FTLABTOESA-N 0 0 376.283 5.837 40 10 GKCBRN COc1cccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@H]32)c1OC ZINC000409168741 533759190 /nfs/dbraw/zinc/75/91/90/533759190.db2.gz NHNGPFCYPLZOCH-SNUQEOBHSA-N 0 0 376.283 5.837 40 10 GKCBRN Cc1cc(Cl)cc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000409169895 533771718 /nfs/dbraw/zinc/77/17/18/533771718.db2.gz RRJAMKODCHRPTA-BIENJYKASA-N 0 0 375.255 6.037 40 10 GKCBRN Cc1c(C)c(C)c(C2(Cc3ccccc3)C(=O)c3ccccc3C2=O)c(C)c1C ZINC000408734587 533825634 /nfs/dbraw/zinc/82/56/34/533825634.db2.gz YVACDXUNPLBYPR-UHFFFAOYSA-N 0 0 382.503 5.788 40 10 GKCBRN COc1ccc(Cl)c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000409151872 533830408 /nfs/dbraw/zinc/83/04/08/533830408.db2.gz CMTIPYMWJMEPDE-FMTVUPSXSA-N 0 0 380.702 6.482 40 10 GKCBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)cc1 ZINC000409051222 533910008 /nfs/dbraw/zinc/91/00/08/533910008.db2.gz JJTWFOIYVTXVTN-PXNMLYILSA-N 0 0 394.348 5.703 40 10 GKCBRN COC(=O)c1ccc(/C=C2\C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc1 ZINC000409050979 533958624 /nfs/dbraw/zinc/95/86/24/533958624.db2.gz FUGKGDRBXKPMOT-HMMYKYKNSA-N 0 0 398.414 5.247 40 10 GKCBRN COc1ccc(N2C(=O)/C(=C\c3ccccc3C)SC2=S)cc1Cl ZINC000409344201 533994137 /nfs/dbraw/zinc/99/41/37/533994137.db2.gz IAVCEHMZZDSIJG-CXUHLZMHSA-N 0 0 375.902 5.063 40 10 GKCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)SC2=S)cc1 ZINC000059418003 533994853 /nfs/dbraw/zinc/99/48/53/533994853.db2.gz OTXVFHCGBJLWHC-GDNBJRDFSA-N 0 0 395.427 5.120 40 10 GKCBRN COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccccc2Cl)cc1 ZINC000409002583 533995184 /nfs/dbraw/zinc/99/51/84/533995184.db2.gz VGSJTJREFYIIBW-CPNJWEJPSA-N 0 0 394.883 5.245 40 10 GKCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(C)s3)SC2=S)cc1Cl ZINC000409331215 533995224 /nfs/dbraw/zinc/99/52/24/533995224.db2.gz MSSOQBQLGWHMQG-RIYZIHGNSA-N 0 0 381.931 5.124 40 10 GKCBRN COc1ccccc1C1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000408839959 534005452 /nfs/dbraw/zinc/00/54/52/534005452.db2.gz BSTWTSGHDROBRL-HMMYKYKNSA-N 0 0 388.854 5.183 40 10 GKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000409169681 534065101 /nfs/dbraw/zinc/06/51/01/534065101.db2.gz QYRLTZCCBAOPNX-JZKQVHKSSA-N 0 0 387.401 5.627 40 10 GKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000409151624 534065237 /nfs/dbraw/zinc/06/52/37/534065237.db2.gz IAXUJNZTYJKWOR-VFGMZZLHSA-N 0 0 388.294 5.915 40 10 GKCBRN COc1ccccc1N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S ZINC000409349741 534129549 /nfs/dbraw/zinc/12/95/49/534129549.db2.gz QRIALASIBDSMJK-NTEUORMPSA-N 0 0 396.320 5.408 40 10 GKCBRN COc1ccccc1N1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)SC1=S ZINC000209721825 534130495 /nfs/dbraw/zinc/13/04/95/534130495.db2.gz ROBNROMYYLDRQA-GDNBJRDFSA-N 0 0 395.427 5.120 40 10 GKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(C)(C)C)cc1)N2 ZINC000409150472 534163131 /nfs/dbraw/zinc/16/31/31/534163131.db2.gz BXZVVSPXUQRWSB-LZJOCLMNSA-N 0 0 395.930 6.251 40 10 GKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(C)C)cc1)N2 ZINC000409170692 534163268 /nfs/dbraw/zinc/16/32/68/534163268.db2.gz WRNWKFRGVIBHHX-LLGFUMIMSA-N 0 0 381.903 6.077 40 10 GKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)(C)C)cc1)N2 ZINC000409150466 534163670 /nfs/dbraw/zinc/16/36/70/534163670.db2.gz BXZVVSPXUQRWSB-CBGDNZLLSA-N 0 0 395.930 6.251 40 10 GKCBRN Cc1ccc(-n2cccc2/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)c1 ZINC000408967013 534239843 /nfs/dbraw/zinc/23/98/43/534239843.db2.gz ROBYWAUBOVQSFU-XSFVSMFZSA-N 0 0 390.533 5.500 40 10 GKCBRN Cc1ccc(-n2cccc2/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1C ZINC000408965650 534240022 /nfs/dbraw/zinc/24/00/22/534240022.db2.gz LEZUBELCDAKAGJ-XSFVSMFZSA-N 0 0 390.533 5.500 40 10 GKCBRN Cc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)s1 ZINC000409346524 534247921 /nfs/dbraw/zinc/24/79/21/534247921.db2.gz LGPBVJLJYHBGGN-QPEQYQDCSA-N 0 0 386.350 5.769 40 10 GKCBRN Cc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)s1 ZINC000409205377 534248001 /nfs/dbraw/zinc/24/80/01/534248001.db2.gz HTIAJKFMCOEZFD-MDWZMJQESA-N 0 0 396.356 5.225 40 10 GKCBRN Cc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)s1 ZINC000409335412 534248280 /nfs/dbraw/zinc/24/82/80/534248280.db2.gz ZRKKGERVGZTSNS-QPEQYQDCSA-N 0 0 386.350 5.769 40 10 GKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000409164770 534250033 /nfs/dbraw/zinc/25/00/33/534250033.db2.gz NSAFPEOQVWDGPH-QEEYODRMSA-N 0 0 388.294 5.915 40 10 GKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000409170872 534250202 /nfs/dbraw/zinc/25/02/02/534250202.db2.gz XPUFBBPRNOSNPL-SIFCLUCFSA-N 0 0 398.846 5.170 40 10 GKCBRN COC(=O)c1cccc2c1N[C@@H](c1ccc(OCC(C)C)cc1)[C@H]1CC=C[C@@H]21 ZINC000408736242 534285821 /nfs/dbraw/zinc/28/58/21/534285821.db2.gz NPJXVIOBLDQEES-DXIQSLLYSA-N 0 0 377.484 5.335 40 10 GKCBRN COC(=O)c1cccc2c1N[C@@H](c1ccc3c4c(cccc41)CC3)[C@H]1CC=C[C@@H]21 ZINC000408736458 534285893 /nfs/dbraw/zinc/28/58/93/534285893.db2.gz UHXFPUFOPKTJJO-YIGJPRQDSA-N 0 0 381.475 5.552 40 10 GKCBRN Cc1ccsc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O ZINC000409326363 534456464 /nfs/dbraw/zinc/45/64/64/534456464.db2.gz AXZMEISLHSRWOJ-MDWZMJQESA-N 0 0 396.356 5.225 40 10 GKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@@H]21 ZINC000409165477 534630373 /nfs/dbraw/zinc/63/03/73/534630373.db2.gz YOQWQHIDDZPAFB-FMTVUPSXSA-N 0 0 395.127 6.582 40 10 GKCBRN Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2 ZINC000408736236 534630507 /nfs/dbraw/zinc/63/05/07/534630507.db2.gz NCBFEDIJXITBLD-KEYYUXOJSA-N 0 0 395.127 6.582 40 10 GKCBRN O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1c(Cl)cccc1Cl ZINC000408721984 534803957 /nfs/dbraw/zinc/80/39/57/534803957.db2.gz BYCUABXBZVMVQY-DHZHZOJOSA-N 0 0 396.067 5.737 40 10 GKCBRN O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000408744652 534805507 /nfs/dbraw/zinc/80/55/07/534805507.db2.gz ZDMLPHQFBWEVHZ-KPKJPENVSA-N 0 0 396.067 5.737 40 10 GKCBRN Cc1cc(CN[C@H](Cc2ccsc2)c2nccs2)ccc1N1CCCC1 ZINC000019570888 524781403 /nfs/dbraw/zinc/78/14/03/524781403.db2.gz IFWJEVNSPGPCFZ-LJQANCHMSA-N 0 0 383.586 5.187 40 10 GKCBRN Cc1ccccc1N1C(=O)/C(=C\c2ccc(N3CCCC3)cc2C)SC1=S ZINC000409349448 534821548 /nfs/dbraw/zinc/82/15/48/534821548.db2.gz QBCHNFOWYLAVSM-XSFVSMFZSA-N 0 0 394.565 5.309 40 10 GKCBRN O=C1S/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000106689244 534825385 /nfs/dbraw/zinc/82/53/85/534825385.db2.gz RTIUZRSDHVDRDC-UYRXBGFRSA-N 0 0 398.915 5.177 40 10 GKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@H]32)ccc1Cl ZINC000409152512 534880495 /nfs/dbraw/zinc/88/04/95/534880495.db2.gz JDSSGHYUVJLLRN-VFVRVIDISA-N 0 0 394.780 6.094 40 10 GKCBRN O=[N+]([O-])c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409174230 534883034 /nfs/dbraw/zinc/88/30/34/534883034.db2.gz MFPQQNVJYWKPFJ-KEYYUXOJSA-N 0 0 389.224 5.323 40 10 GKCBRN O=[N+]([O-])c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000409174232 534883286 /nfs/dbraw/zinc/88/32/86/534883286.db2.gz MFPQQNVJYWKPFJ-VBQJREDUSA-N 0 0 389.224 5.323 40 10 GKCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(c2cccc3ccccc32)C1=O ZINC000409335400 526386919 /nfs/dbraw/zinc/38/69/19/526386919.db2.gz ZPJHSDBPZPEOIC-OWOAHEFASA-N 0 0 387.529 6.192 40 10 GKCBRN CC(C)(C)c1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409173820 526790013 /nfs/dbraw/zinc/79/00/13/526790013.db2.gz KNEIPRMEVFLVMM-UWVAXJGDSA-N 0 0 382.345 6.573 40 10 GKCBRN CC(C)(C)c1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000409155149 526790497 /nfs/dbraw/zinc/79/04/97/526790497.db2.gz CFYLNFWFHFPOPA-HLIPFELVSA-N 0 0 382.891 6.372 40 10 GKCBRN CC(=O)c1ccc(NC(=O)c2ccc3nc4ccc5ccccc5c4nc3c2)cc1 ZINC000408722722 527315301 /nfs/dbraw/zinc/31/53/01/527315301.db2.gz WKPBJCMNFKEGEI-UHFFFAOYSA-N 0 0 391.430 5.391 40 10 GKCBRN CC(Nc1cccc2ccccc21)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000103917230 527540573 /nfs/dbraw/zinc/54/05/73/527540573.db2.gz KHAOESJSDXORJC-STZFKDTASA-N 0 0 398.491 5.558 40 10 GKCBRN CC(C)c1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000409327093 528057908 /nfs/dbraw/zinc/05/79/08/528057908.db2.gz HVNWHPYUESKHIY-CPNJWEJPSA-N 0 0 382.554 5.282 40 10 GKCBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cccc2ccccc21 ZINC000103919070 528064643 /nfs/dbraw/zinc/06/46/43/528064643.db2.gz RRMVCRAXALKERX-KQWNVCNZSA-N 0 0 387.458 5.868 40 10 GKCBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(Cl)cc1 ZINC000112121549 528064946 /nfs/dbraw/zinc/06/49/46/528064946.db2.gz HYXHBODRIPPVGO-ZHZULCJRSA-N 0 0 383.879 5.237 40 10 GKCBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cc(C)cc(C)c1 ZINC000103918721 528065149 /nfs/dbraw/zinc/06/51/49/528065149.db2.gz ZWMJRWZCEDNFCN-XLNRJJMWSA-N 0 0 377.488 5.201 40 10 GKCBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccccc1CC ZINC000112119673 528065715 /nfs/dbraw/zinc/06/57/15/528065715.db2.gz GBCFANDSANKVSJ-JWGURIENSA-N 0 0 377.488 5.146 40 10 GKCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccccc1CC ZINC000112123455 528065734 /nfs/dbraw/zinc/06/57/34/528065734.db2.gz BLJRLDJSLUXRDS-QNGOZBTKSA-N 0 0 392.459 5.046 40 10 GKCBRN CC(C)COc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000409338911 528140910 /nfs/dbraw/zinc/14/09/10/528140910.db2.gz CAIZQAMIYDSKPG-LDADJPATSA-N 0 0 375.559 5.255 40 10 GKCBRN CCCCCCOc1c(Cl)cc(C=C2SC(=S)NC2=O)cc1Cl ZINC000408539061 528146845 /nfs/dbraw/zinc/14/68/45/528146845.db2.gz FASWKFOVBGONMG-UKTHLTGXSA-N 0 0 390.357 5.441 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1 ZINC000408901822 528149907 /nfs/dbraw/zinc/14/99/07/528149907.db2.gz HLVYERIFRYNSJA-HZHRSRAPSA-N 0 0 386.426 5.211 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OC(C)C)c(Br)c1 ZINC000408904521 528150669 /nfs/dbraw/zinc/15/06/69/528150669.db2.gz KUXYZXTVCJFTNM-GZTJUZNOSA-N 0 0 399.288 5.042 40 10 GKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc(F)cc2)c1 ZINC000100147907 528150874 /nfs/dbraw/zinc/15/08/74/528150874.db2.gz XPBLGWHCMIWGMD-HAHDFKILSA-N 0 0 386.426 5.211 40 10 GKCBRN CCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)SC1=S ZINC000409351525 528162269 /nfs/dbraw/zinc/16/22/69/528162269.db2.gz USZNRIVSQICNLJ-BOPFTXTBSA-N 0 0 390.961 5.359 40 10 GKCBRN CCCN1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S ZINC000409329259 528162494 /nfs/dbraw/zinc/16/24/94/528162494.db2.gz CYKUMMVFHVDHQO-GDNBJRDFSA-N 0 0 397.443 5.577 40 10 GKCBRN CCOc1c(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cccc1OC ZINC000409338481 528166557 /nfs/dbraw/zinc/16/65/57/528166557.db2.gz KSSFUCXVAJWQIZ-PDGQHHTCSA-N 0 0 399.537 5.117 40 10 GKCBRN CC(C)c1ccccc1N1C(=O)/C(=C/c2ccccc2)C=C1c1ccc(Cl)cc1 ZINC000408983827 528192023 /nfs/dbraw/zinc/19/20/23/528192023.db2.gz DDLJEIOIKNVBIF-LTGZKZEYSA-N 0 0 399.921 6.935 40 10 GKCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OC(C)C ZINC000409346925 528196080 /nfs/dbraw/zinc/19/60/80/528196080.db2.gz OTAIBXWJQLBDAH-CPNJWEJPSA-N 0 0 399.537 5.278 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 ZINC000409168990 528258088 /nfs/dbraw/zinc/25/80/88/528258088.db2.gz OLTHJOQZNVGBLO-VPZZIHKRSA-N 0 0 388.294 5.997 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@@H]21 ZINC000409166453 528258441 /nfs/dbraw/zinc/25/84/41/528258441.db2.gz DSYBBCOIJZAJGH-LPMFXHHGSA-N 0 0 387.401 5.709 40 10 GKCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000409056875 528292827 /nfs/dbraw/zinc/29/28/27/528292827.db2.gz FACFAUYIUXZPFV-AQTBWJFISA-N 0 0 386.904 5.427 40 10 GKCBRN CCOc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3cccc(C)c3)C2=O)cc1 ZINC000408764348 528367972 /nfs/dbraw/zinc/36/79/72/528367972.db2.gz TVWZRXCERHDXDW-JJIBRWJFSA-N 0 0 396.490 5.537 40 10 GKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408986687 528370953 /nfs/dbraw/zinc/37/09/53/528370953.db2.gz SPEOFLOTIWGXTC-CAPFRKAQSA-N 0 0 385.438 5.696 40 10 GKCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccccc2F)cc1 ZINC000408752360 528482216 /nfs/dbraw/zinc/48/22/16/528482216.db2.gz IBFVJOQTFLGQCP-XSFVSMFZSA-N 0 0 392.455 5.120 40 10 GKCBRN CCOc1ccc(N2C(=O)/C(=C\c3c(C)[nH]c4ccccc43)SC2=S)cc1 ZINC000409341302 528482241 /nfs/dbraw/zinc/48/22/41/528482241.db2.gz BBDFOAVMHRXZQQ-XDHOZWIPSA-N 0 0 394.521 5.281 40 10 GKCBRN CC(C)n1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c2ccccc21 ZINC000409339037 528544072 /nfs/dbraw/zinc/54/40/72/528544072.db2.gz DNSAXEKLBACPGB-NDENLUEZSA-N 0 0 392.549 5.624 40 10 GKCBRN CCOc1cccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c1 ZINC000409338391 528627095 /nfs/dbraw/zinc/62/70/95/528627095.db2.gz JDINLEQGQDYYBS-MHWRWJLKSA-N 0 0 375.902 5.145 40 10 GKCBRN CCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br ZINC000408940375 528641428 /nfs/dbraw/zinc/64/14/28/528641428.db2.gz NWTPCLOITASAOJ-SFQUDFHCSA-N 0 0 399.288 5.044 40 10 GKCBRN CCCCOc1ccc([C@@H]2Nc3ccc(C(=O)OCC)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736644 528688807 /nfs/dbraw/zinc/68/88/07/528688807.db2.gz YPYVUEBWWRPQHA-DPLHUUCSSA-N 0 0 391.511 5.869 40 10 GKCBRN CCCOc1ccc([C@@H]2Nc3ccc(C(=O)OCC)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736358 528721818 /nfs/dbraw/zinc/72/18/18/528721818.db2.gz QTPUFIMQQAMXOF-QTEQDKRBSA-N 0 0 377.484 5.479 40 10 GKCBRN CCCOc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000408600924 528768004 /nfs/dbraw/zinc/76/80/04/528768004.db2.gz HGXPNGQLOSBMFB-ATVHPVEESA-N 0 0 389.929 5.535 40 10 GKCBRN CCCn1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000409338056 528828460 /nfs/dbraw/zinc/82/84/60/528828460.db2.gz CDWKEQZUPUVFIK-XDHOZWIPSA-N 0 0 396.512 5.596 40 10 GKCBRN CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc4ccccc43)c2C)C1=O ZINC000409067311 528954137 /nfs/dbraw/zinc/95/41/37/528954137.db2.gz CKMDGDJZICVDNX-DEDYPNTBSA-N 0 0 376.481 5.304 40 10 GKCBRN CC[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC ZINC000408905261 529186882 /nfs/dbraw/zinc/18/68/82/529186882.db2.gz WCIROWQWFNYXHM-BGARDKSCSA-N 0 0 398.890 5.332 40 10 GKCBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000409343021 529192087 /nfs/dbraw/zinc/19/20/87/529192087.db2.gz FSJYUBZDYUFPLS-UOEVCUDDSA-N 0 0 397.565 5.887 40 10 GKCBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000409343139 529192174 /nfs/dbraw/zinc/19/21/74/529192174.db2.gz CPQOGXORDHQTHM-ITRAFESCSA-N 0 0 399.537 5.278 40 10 GKCBRN CC[C@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O ZINC000409331871 529197497 /nfs/dbraw/zinc/19/74/97/529197497.db2.gz PBGXBWWFIDNLNG-FHNWIRHTSA-N 0 0 387.501 5.409 40 10 GKCBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1=O ZINC000409017893 529349880 /nfs/dbraw/zinc/34/98/80/529349880.db2.gz WDQCNZQCNQZHMC-RVZJCZPVSA-N 0 0 382.529 5.546 40 10 GKCBRN CC(C)Oc1ccccc1C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219744421 535055833 /nfs/dbraw/zinc/05/58/33/535055833.db2.gz CQTPDHGBNGBBAP-MOPGFXCFSA-N 0 0 380.532 5.201 40 10 GKCBRN CCCOc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218982573 535257571 /nfs/dbraw/zinc/25/75/71/535257571.db2.gz OYIYDBFZQTUJDE-IBGZPJMESA-N 0 0 380.532 5.203 40 10 GKCBRN CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219595197 535817813 /nfs/dbraw/zinc/81/78/13/535817813.db2.gz YPIZDRZMFBQEKB-GBXCKJPGSA-N 0 0 394.559 5.266 40 10 GKCBRN CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219313637 536049068 /nfs/dbraw/zinc/04/90/68/536049068.db2.gz WNHQXWYJHJSHRQ-RFWXGWTQSA-N 0 0 394.559 5.266 40 10 GKCBRN CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219313567 536050838 /nfs/dbraw/zinc/05/08/38/536050838.db2.gz IRWQDLNJUUGNOV-OFNKIYASSA-N 0 0 394.559 5.266 40 10 GKCBRN CCCCc1ccc(NC2=NC(=O)C(=Cc3c[nH]c4ccccc34)S2)cc1 ZINC000020226933 570249055 /nfs/dbraw/zinc/24/90/55/570249055.db2.gz NAVTWMZPVFNTPU-DEDYPNTBSA-N 0 0 375.497 5.593 40 10 GKCBRN CCCN(CCC)c1ccc(Cc2ccc(N(CCC)CCC)cc2N)c(N)c1 ZINC000001593772 570265643 /nfs/dbraw/zinc/26/56/43/570265643.db2.gz FNBRAUWOLHIHNS-UHFFFAOYSA-N 0 0 396.623 5.695 40 10 GKCBRN Cc1ccc(/N=N\c2cc(C)c(N)cc2N)cc1/N=N\c1cc(C)c(N)cc1N ZINC000100254503 570270247 /nfs/dbraw/zinc/27/02/47/570270247.db2.gz SOJKLCSQJMPLCK-UKDOXLPISA-N 0 0 388.479 5.771 40 10 GKCBRN CN(C)c1ccc(-c2nc3sc(-c4ccc(N(C)C)cc4)nc3s2)cc1 ZINC000005879097 570274110 /nfs/dbraw/zinc/27/41/10/570274110.db2.gz HGCZKYJRUGSQHV-UHFFFAOYSA-N 0 0 380.542 5.219 40 10 GKCBRN Cc1c(Cl)ccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000020704130 570280844 /nfs/dbraw/zinc/28/08/44/570280844.db2.gz LONUTKTZJIQJTR-QHRIQVFBSA-N 0 0 375.255 6.037 40 10 GKCBRN Cc1c(Cl)ccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000020705819 570280993 /nfs/dbraw/zinc/28/09/93/570280993.db2.gz MYMALMHOEMGZNE-NQCMUKECSA-N 0 0 375.255 6.037 40 10 GKCBRN Cc1ccc(/N=N\c2ccc(C)cc2NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000104163250 570298643 /nfs/dbraw/zinc/29/86/43/570298643.db2.gz MYOPYERBEIPQHA-QPLCGJKRSA-N 0 0 398.293 7.278 40 10 GKCBRN Cc1cccc(N=Nc2ccc(NN=C3C(=O)C=Cc4ccccc43)cc2C)c1 ZINC000104187924 570298755 /nfs/dbraw/zinc/29/87/55/570298755.db2.gz NHXXLZBKTKNTEF-ZQZMJUSDSA-N 0 0 380.451 7.993 40 10 GKCBRN CN(C)c1ccc(/N=N\c2cc3c4ccccc4ccc3c3ccccc23)cc1 ZINC000104208210 570299532 /nfs/dbraw/zinc/29/95/32/570299532.db2.gz XEWKQQSFKGVKGH-DQSJHHFOSA-N 0 0 375.475 7.628 40 10 GKCBRN CCOc1c(/N=N\c2ccc(Cl)cc2Cl)c(C)nn1C(=S)S ZINC000104241130 570299878 /nfs/dbraw/zinc/29/98/78/570299878.db2.gz QYSDNGPLTYBRCX-MSUUIHNZSA-N 0 0 375.306 5.375 40 10 GKCBRN COc1cc(-c2ccc(NN=C3c4ccccc4C=CC3=O)c(OC)c2)ccc1N ZINC000104389126 570302530 /nfs/dbraw/zinc/30/25/30/570302530.db2.gz KZHDDTLJIIZUIV-RQZHXJHFSA-N 0 0 399.450 6.227 40 10 GKCBRN Cc1ccccc1N=Nc1ccc(NN=C2C=CC(=O)c3ccccc32)c(C)c1 ZINC000104389470 570302666 /nfs/dbraw/zinc/30/26/66/570302666.db2.gz NRXZKGUYCKGZKF-COGCMUBNSA-N 0 0 380.451 7.993 40 10 GKCBRN CCN1CCc2cc([C@H]3c4ccccc4C=CN3C(=O)c3ccccc3)ccc21 ZINC000022114890 570306082 /nfs/dbraw/zinc/30/60/82/570306082.db2.gz IMGFUGFKGOAOQO-VWLOTQADSA-N 0 0 380.491 5.285 40 10 GKCBRN Cc1ccc(C)n1-c1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 ZINC000072216793 570317769 /nfs/dbraw/zinc/31/77/69/570317769.db2.gz RVIGGNUNJDYJRP-JOCHJYFZSA-N 0 0 389.499 5.353 40 10 GKCBRN CN(C)c1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2c2ccccc2)cc1 ZINC000003851816 570352514 /nfs/dbraw/zinc/35/25/14/570352514.db2.gz OCVNTBFZSZJJJS-MHZLTWQESA-N 0 0 391.518 6.262 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21 ZINC000004172150 570360905 /nfs/dbraw/zinc/36/09/05/570360905.db2.gz XRQIUIMTDDJOAW-BIENJYKASA-N 0 0 398.300 5.452 40 10 GKCBRN COc1ccccc1N1C(=O)/C(=C\c2cccc(C(F)(F)F)c2)SC1=S ZINC000057557640 570362203 /nfs/dbraw/zinc/36/22/03/570362203.db2.gz HBMLMOUBKQVSDB-XNTDXEJSSA-N 0 0 395.427 5.120 40 10 GKCBRN CCCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000004575010 570385366 /nfs/dbraw/zinc/38/53/66/570385366.db2.gz URLGHWPDUVWLJC-IPJJNNNSSA-N 0 0 392.455 5.378 40 10 GKCBRN Cc1cccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cccc(C)c2)c1 ZINC000408754561 570393024 /nfs/dbraw/zinc/39/30/24/570393024.db2.gz RHBONAVRROQCEM-PXLXIMEGSA-N 0 0 397.434 5.046 40 10 GKCBRN O=C1/C(=C\c2ccccc2)N=C(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000408754806 570393296 /nfs/dbraw/zinc/39/32/96/570393296.db2.gz SAHOOJXWFLAUAY-XSFVSMFZSA-N 0 0 393.273 5.828 40 10 GKCBRN COc1cccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1 ZINC000408754775 570393378 /nfs/dbraw/zinc/39/33/78/570393378.db2.gz IIIUUIRBEBWQQK-XQNSMLJCSA-N 0 0 382.463 5.147 40 10 GKCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccccc2)cc1 ZINC000408755564 570393702 /nfs/dbraw/zinc/39/37/02/570393702.db2.gz OMZFQVJDNKHOIO-CJLVFECKSA-N 0 0 386.426 5.059 40 10 GKCBRN Cc1ccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000408755460 570393729 /nfs/dbraw/zinc/39/37/29/570393729.db2.gz QEILGYRHBJNHNW-KGENOOAVSA-N 0 0 390.845 5.622 40 10 GKCBRN CCc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)cc1 ZINC000408758951 570393841 /nfs/dbraw/zinc/39/38/41/570393841.db2.gz VJJYBWMPVOQGMW-LFVJCYFKSA-N 0 0 383.495 5.463 40 10 GKCBRN COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408756573 570393858 /nfs/dbraw/zinc/39/38/58/570393858.db2.gz WGSVJJRXPGNMFQ-XQNSMLJCSA-N 0 0 382.463 5.147 40 10 GKCBRN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1/C=C1/C(=O)N(c2ccccc2C)N=C1C ZINC000408757447 570394353 /nfs/dbraw/zinc/39/43/53/570394353.db2.gz NJSXMRXAMAZOQS-UCQKPKSFSA-N 0 0 398.510 5.221 40 10 GKCBRN Cc1nn(-c2ccc(C)cc2)c(C)c1/C=C1/C(=O)N(c2ccc(C)cc2C)N=C1C ZINC000408757751 570394674 /nfs/dbraw/zinc/39/46/74/570394674.db2.gz QMCVJRFNEBFAGO-OEAKJJBVSA-N 0 0 398.510 5.221 40 10 GKCBRN COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 ZINC000408756159 570396517 /nfs/dbraw/zinc/39/65/17/570396517.db2.gz UIIGZZQANOAFEN-XQNSMLJCSA-N 0 0 382.463 5.147 40 10 GKCBRN O=C1/C(=C\c2ccccc2)N=C(c2ccccc2Cl)N1c1ccc(F)cc1 ZINC000408760409 570398297 /nfs/dbraw/zinc/39/82/97/570398297.db2.gz YDOGCDBMYNJHMW-XSFVSMFZSA-N 0 0 376.818 5.314 40 10 GKCBRN c1ccc(Cn2c3ccccc3nc2/N=N/c2ccc(N3CCOCC3)cc2)cc1 ZINC000004855341 570412774 /nfs/dbraw/zinc/41/27/74/570412774.db2.gz AWKCPWIZOJTYSA-CYYJNZCTSA-N 0 0 397.482 5.337 40 10 GKCBRN Clc1ccc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@H]32)cc1Cl ZINC000006971343 570415338 /nfs/dbraw/zinc/41/53/38/570415338.db2.gz IHRWRLDQORILQW-JKDFXYPNSA-N 0 0 395.127 6.582 40 10 GKCBRN Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000103014898 570416874 /nfs/dbraw/zinc/41/68/74/570416874.db2.gz FJSCPSCZCABCTD-WCWDXBQESA-N 0 0 393.468 5.066 40 10 GKCBRN O=C1c2cccc(Nc3ccccc3)c2C(=O)c2c(Nc3ccccc3)cccc21 ZINC000005002963 570423283 /nfs/dbraw/zinc/42/32/83/570423283.db2.gz GYIADLIECYSJEO-UHFFFAOYSA-N 0 0 390.442 5.949 40 10 GKCBRN CN(C)c1ccc([C@H]2N=C(c3ccc(Cl)cc3)[C@@H]3[C@@H](c4ccccc4)N32)cc1 ZINC000025586375 570428975 /nfs/dbraw/zinc/42/89/75/570428975.db2.gz MVTNPDZGDVJMMJ-KKDYRJFOSA-N 0 0 387.914 5.333 40 10 GKCBRN CCOC(=O)c1sc2nc(-c3ccc(C)cc3)cc(-c3ccccc3)c2c1N ZINC000005332601 570434299 /nfs/dbraw/zinc/43/42/99/570434299.db2.gz CZKWXYCFLUSWFS-UHFFFAOYSA-N 0 0 388.492 5.698 40 10 GKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)cc1 ZINC000005371323 570435454 /nfs/dbraw/zinc/43/54/54/570435454.db2.gz BOWZGWVOSIOXCA-RGEXLXHISA-N 0 0 383.538 5.444 40 10 GKCBRN CCOc1c(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)cccc1OC ZINC000005371039 570435474 /nfs/dbraw/zinc/43/54/74/570435474.db2.gz COAZDWLOCNYSNB-RAOBZKRQSA-N 0 0 399.537 5.056 40 10 GKCBRN CCc1ccc(N2C(=O)/C(=C/c3c(F)cccc3Cl)SC2=S)cc1 ZINC000005372355 570435658 /nfs/dbraw/zinc/43/56/58/570435658.db2.gz VORKLXKTQJIGFV-YBEGLDIGSA-N 0 0 377.893 5.447 40 10 GKCBRN CCCCc1ccc(NC2=NC(=O)C(=Cc3cn(C)c4ccccc34)S2)cc1 ZINC000005520199 570444039 /nfs/dbraw/zinc/44/40/39/570444039.db2.gz FJOORQBOAZRKEQ-KGENOOAVSA-N 0 0 389.524 5.603 40 10 GKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3ccc(CC)cc3)SC2=S)cc1 ZINC000005552018 570445376 /nfs/dbraw/zinc/44/53/76/570445376.db2.gz YACDBGQSTQRRIR-HKWRFOASSA-N 0 0 381.566 5.997 40 10 GKCBRN CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)SC1=S ZINC000040005912 570452708 /nfs/dbraw/zinc/45/27/08/570452708.db2.gz ARVGZHXBDBBPFO-LDADJPATSA-N 0 0 387.501 5.016 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccc(Cl)cc2)cc1 ZINC000408758662 570454912 /nfs/dbraw/zinc/45/49/12/570454912.db2.gz OSZFOQWZBDDCHQ-CPNJWEJPSA-N 0 0 378.884 5.544 40 10 GKCBRN Cc1cc(C=O)c(C)n1-c1cccc2c(Oc3ccccc3[N+](=O)[O-])cccc21 ZINC000226233808 570458889 /nfs/dbraw/zinc/45/88/89/570458889.db2.gz NWTYWBAZNGKIAQ-UHFFFAOYSA-N 0 0 386.407 5.760 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccccc2F)cc1 ZINC000408759602 570469108 /nfs/dbraw/zinc/46/91/08/570469108.db2.gz HUEZZIANOGYDEL-XQNSMLJCSA-N 0 0 399.469 5.035 40 10 GKCBRN CCOc1ccc(/C=C2/N=C(c3ccccc3)N(c3cccc(C)c3)C2=O)cc1 ZINC000408761802 570471036 /nfs/dbraw/zinc/47/10/36/570471036.db2.gz HRWBWOYPCFTYDN-HAVVHWLPSA-N 0 0 382.463 5.228 40 10 GKCBRN Nc1ccc(Oc2cc(Oc3ccc(N)cc3)cc(Oc3ccc(N)cc3)c2)cc1 ZINC000067176068 570476152 /nfs/dbraw/zinc/47/61/52/570476152.db2.gz PAPDRIKTCIYHFI-UHFFFAOYSA-N 0 0 399.450 5.810 40 10 GKCBRN Clc1ccccc1COc1cccc(C2Nc3cccc4cccc(c43)N2)c1 ZINC000070453921 570485453 /nfs/dbraw/zinc/48/54/53/570485453.db2.gz AHSBDPFBNMKMOT-UHFFFAOYSA-N 0 0 386.882 6.608 40 10 GKCBRN c1c(COc2ccccc2C2Nc3cccc4cccc(c43)N2)nc2ccccn12 ZINC000070453909 570486090 /nfs/dbraw/zinc/48/60/90/570486090.db2.gz QQTCUIXSIZAMIU-UHFFFAOYSA-N 0 0 392.462 5.603 40 10 GKCBRN S=C(NNc1c(Cl)cc(Cl)cc1Cl)Nc1ccc(Cl)cc1 ZINC000006926429 570499097 /nfs/dbraw/zinc/49/90/97/570499097.db2.gz HMLYRXRNLHATSL-UHFFFAOYSA-N 0 0 381.115 5.614 40 10 GKCBRN COc1ccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000000871794 570502487 /nfs/dbraw/zinc/50/24/87/570502487.db2.gz LFYKIRDJFXQXEA-SOZUMNATSA-N 0 0 391.254 5.737 40 10 GKCBRN O=[N+]([O-])c1ccc([C@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@H]32)cc1 ZINC000001067566 570537131 /nfs/dbraw/zinc/53/71/31/570537131.db2.gz WEMYZEARRRTUNJ-OGHNNQOOSA-N 0 0 394.780 6.094 40 10 GKCBRN CCOc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408756794 570544639 /nfs/dbraw/zinc/54/46/39/570544639.db2.gz UNXFKTXBFMFFOD-JJIBRWJFSA-N 0 0 396.490 5.537 40 10 GKCBRN Cc1nn(-c2ccc(C)cc2C)c(C)c1/C=C1/C(=O)N(c2ccc(C)cc2)N=C1C ZINC000408755806 570545000 /nfs/dbraw/zinc/54/50/00/570545000.db2.gz FSXKCXUHLAQDIR-UCQKPKSFSA-N 0 0 398.510 5.221 40 10 GKCBRN O=C1/C(=C/c2ccccc2O)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000009188538 570551211 /nfs/dbraw/zinc/55/12/11/570551211.db2.gz WGBKZIRELMVETD-AUWJEWJLSA-N 0 0 382.293 5.105 40 10 GKCBRN CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)cc1 ZINC000009188784 570551252 /nfs/dbraw/zinc/55/12/52/570551252.db2.gz SACHEHIATPZHJF-CYVLTUHYSA-N 0 0 397.565 5.264 40 10 GKCBRN C[C@@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225654038 570598551 /nfs/dbraw/zinc/59/85/51/570598551.db2.gz JIFLHQQKOLWJND-MRXNPFEDSA-N 0 0 387.980 5.624 40 10 GKCBRN C[C@@H](NC(=S)Nc1c(F)cccc1F)c1ccc(N2CCC(C)CC2)cc1 ZINC000225655740 570598742 /nfs/dbraw/zinc/59/87/42/570598742.db2.gz VZZMTVWUWXFURP-OAHLLOKOSA-N 0 0 389.515 5.249 40 10 GKCBRN C[C@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225655796 570598871 /nfs/dbraw/zinc/59/88/71/570598871.db2.gz UOSNUXQTLAWMHG-HNNXBMFYSA-N 0 0 389.515 5.249 40 10 GKCBRN CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000004587676 570631227 /nfs/dbraw/zinc/63/12/27/570631227.db2.gz JUWTYQNSSMNCIJ-WAMWBWQUSA-N 0 0 384.439 5.218 40 10 GKCBRN O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C/c1ccc2c(c1)OCO2 ZINC000004866028 570641371 /nfs/dbraw/zinc/64/13/71/570641371.db2.gz FTTZQZWBMMFVCS-PDGQHHTCSA-N 0 0 384.387 5.189 40 10 GKCBRN Cc1ccc(C)n1-c1ccc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000226233457 570642045 /nfs/dbraw/zinc/64/20/45/570642045.db2.gz HQFDZNUNZJNIMG-UHFFFAOYSA-N 0 0 392.402 6.172 40 10 GKCBRN CCCN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)SC1=S ZINC000033715310 570646123 /nfs/dbraw/zinc/64/61/23/570646123.db2.gz YLDQLJAMOFJYCN-GXDHUFHOSA-N 0 0 395.958 5.695 40 10 GKCBRN Brc1ccccc1[C@@H]1Nc2c3ccccc3ccc2[C@@H]2C=CC[C@@H]21 ZINC000058851011 570648166 /nfs/dbraw/zinc/64/81/66/570648166.db2.gz RPLFOKMKSVWDQX-HYFFOGBASA-N 0 0 376.297 6.429 40 10 GKCBRN Cc1ccc(C)n1-c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000058850437 570648200 /nfs/dbraw/zinc/64/82/00/570648200.db2.gz WANMFVQEBXZLFF-UHFFFAOYSA-N 0 0 395.311 5.202 40 10 GKCBRN CCOC(=O)[C@@H]1Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2[C@@H]2C=CC[C@@H]21 ZINC000058850894 570648353 /nfs/dbraw/zinc/64/83/53/570648353.db2.gz GBVXBXNTLZAPKJ-ACRVBGHFSA-N 0 0 377.528 5.171 40 10 GKCBRN Cc1ccc(C)n1-c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000058850443 570648392 /nfs/dbraw/zinc/64/83/92/570648392.db2.gz USJQAHRIBFBZJV-UHFFFAOYSA-N 0 0 395.311 5.202 40 10 GKCBRN Fc1cccc(Cl)c1[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@@H]21 ZINC000058850698 570648403 /nfs/dbraw/zinc/64/84/03/570648403.db2.gz HGEDVTUSOXDCFM-FTLABTOESA-N 0 0 378.672 6.068 40 10 GKCBRN Cc1ccc(COc2ccc([C@@H]3Nc4c(C)c(C)ccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000058928538 570649342 /nfs/dbraw/zinc/64/93/42/570649342.db2.gz NFUPCNQZJHNKNI-QQNWGBJXSA-N 0 0 395.546 7.017 40 10 GKCBRN COc1cc([C@@H]2Nc3c(C)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC ZINC000058928615 570649410 /nfs/dbraw/zinc/64/94/10/570649410.db2.gz IYLQRHURGVLPNP-WIEQDCTASA-N 0 0 385.891 5.501 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21 ZINC000004959477 570653054 /nfs/dbraw/zinc/65/30/54/570653054.db2.gz HPBRTNDCSAQOBF-AFBRZQFHSA-N 0 0 398.846 5.251 40 10 GKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@H]21 ZINC000004959474 570653077 /nfs/dbraw/zinc/65/30/77/570653077.db2.gz AAPAYTYTDVLTTC-NJSLBKSFSA-N 0 0 388.294 5.997 40 10 GKCBRN Cc1cc(C)c2c(c1)N[C@@H](c1cc3c(cc1Br)OCO3)[C@@H]1CC=C[C@H]21 ZINC000004959596 570653370 /nfs/dbraw/zinc/65/33/70/570653370.db2.gz KCONBCAFNVTJDZ-PXIJXODZSA-N 0 0 398.300 5.621 40 10 GKCBRN Fc1cccc2c1N[C@@H](c1cc3c(cc1Br)OCO3)[C@H]1CC=C[C@H]21 ZINC000004975287 570655406 /nfs/dbraw/zinc/65/54/06/570655406.db2.gz UMFNBCQCUZSNDE-LDLUMPKVSA-N 0 0 388.236 5.143 40 10 GKCBRN COc1ccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000004975183 570655561 /nfs/dbraw/zinc/65/55/61/570655561.db2.gz LFYKIRDJFXQXEA-IUUKEHGRSA-N 0 0 391.254 5.737 40 10 GKCBRN Cc1ccc(C2=C/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)O2)cc1 ZINC000059425879 570656481 /nfs/dbraw/zinc/65/64/81/570656481.db2.gz BVGZEKAJGRMGHH-YBEGLDIGSA-N 0 0 397.257 6.543 40 10 GKCBRN CCOc1ccc(C2=C/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)O2)cc1 ZINC000059425790 570656583 /nfs/dbraw/zinc/65/65/83/570656583.db2.gz WLXDUTCOXYNUCR-QNGOZBTKSA-N 0 0 385.463 5.474 40 10 GKCBRN O=C(SC1=NC(=O)/C(=C\c2ccc(Cl)cc2)S1)c1ccc(Cl)cc1 ZINC000059502367 570659499 /nfs/dbraw/zinc/65/94/99/570659499.db2.gz TXUGNIFSWVTLAU-NTEUORMPSA-N 0 0 394.304 5.537 40 10 GKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(O)cc2)cc1 ZINC000408773227 570682682 /nfs/dbraw/zinc/68/26/82/570682682.db2.gz HMGDIWHBKLXFFL-XMHGGMMESA-N 0 0 398.418 5.080 40 10 GKCBRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)C1=O ZINC000409012393 570693520 /nfs/dbraw/zinc/69/35/20/570693520.db2.gz JSZRMGOUAKSIFM-PVGUKEHMSA-N 0 0 382.529 5.546 40 10 GKCBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)C1=O ZINC000409011562 570693526 /nfs/dbraw/zinc/69/35/26/570693526.db2.gz HWDTZIZWHCAQNQ-MBNTZHJCSA-N 0 0 388.920 5.582 40 10 GKCBRN CCN(CC)c1ccc(/C=C2\C=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc1 ZINC000409052015 570696102 /nfs/dbraw/zinc/69/61/02/570696102.db2.gz HPSHWJONQKZTKW-HKOYGPOVSA-N 0 0 395.502 6.181 40 10 GKCBRN O=C1/C(=C\c2ccccc2F)N=C(c2ccc(Cl)cc2)N1c1ccc(O)cc1 ZINC000001088761 570711616 /nfs/dbraw/zinc/71/16/16/570711616.db2.gz TVKVZOBAXVQQJQ-DEDYPNTBSA-N 0 0 392.817 5.019 40 10 GKCBRN Clc1ccc2c(c1Cl)N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000101125379 570714181 /nfs/dbraw/zinc/71/41/81/570714181.db2.gz CXKQYUCLXMIULC-IGCXYCKISA-N 0 0 395.127 6.582 40 10 GKCBRN Cc1cc(C)c2c(c1)N[C@@H](c1cc3c(cc1Br)OCO3)[C@H]1CC=C[C@@H]21 ZINC000104241443 570727215 /nfs/dbraw/zinc/72/72/15/570727215.db2.gz KCONBCAFNVTJDZ-HKZYLEAXSA-N 0 0 398.300 5.621 40 10 GKCBRN CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccc(/N=N/c3ccccc3)cc1)CC2=O ZINC000006394878 570732483 /nfs/dbraw/zinc/73/24/83/570732483.db2.gz HNSDOCLMCLHXPI-ILHTVEFGSA-N 0 0 375.472 5.826 40 10 GKCBRN CC(C)(C)c1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000006324162 570742103 /nfs/dbraw/zinc/74/21/03/570742103.db2.gz XUIJCNFSTZOQET-DPZBCOQUSA-N 0 0 379.547 7.478 40 10 GKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21 ZINC000006952939 570751276 /nfs/dbraw/zinc/75/12/76/570751276.db2.gz UVDQGVKZCUWINE-PISHQANHSA-N 0 0 391.254 5.737 40 10 GKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21 ZINC000006952828 570751429 /nfs/dbraw/zinc/75/14/29/570751429.db2.gz WQAMXJBZLQXKPJ-PZROIBLQSA-N 0 0 391.254 5.737 40 10 GKCBRN CC(C)(C)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000013547629 570757355 /nfs/dbraw/zinc/75/73/55/570757355.db2.gz YSFRTMGRNASTTK-ATVHPVEESA-N 0 0 387.957 6.043 40 10 GKCBRN COc1ccc(Cl)c2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21 ZINC000008115854 570767237 /nfs/dbraw/zinc/76/72/37/570767237.db2.gz NSJPYJANTHAZFL-SUNYJGFJSA-N 0 0 390.708 5.938 40 10 GKCBRN O=C1NC(=S)S/C1=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000013551654 570851892 /nfs/dbraw/zinc/85/18/92/570851892.db2.gz GZGYXTSPVGGXHL-CHHVJCJISA-N 0 0 396.320 5.061 40 10 GKCBRN COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc31)N2 ZINC000014549109 570892182 /nfs/dbraw/zinc/89/21/82/570892182.db2.gz FECDECJIHPKBHG-QSEAXJEQSA-N 0 0 377.487 6.828 40 10 GKCBRN O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000014550718 570892227 /nfs/dbraw/zinc/89/22/27/570892227.db2.gz DOFZPNDPORARCB-DPLHUUCSSA-N 0 0 384.435 6.214 40 10 GKCBRN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2 ZINC000014546610 570892324 /nfs/dbraw/zinc/89/23/24/570892324.db2.gz BBTXQFQTFMFGPG-LAPQFRIASA-N 0 0 388.294 5.997 40 10 GKCBRN Clc1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@H]32)c(Cl)c1 ZINC000014477470 570892611 /nfs/dbraw/zinc/89/26/11/570892611.db2.gz AOZOJSFAJNSARQ-VNBZBWLYSA-N 0 0 385.121 7.127 40 10 GKCBRN Clc1cccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@@H]32)c1Cl ZINC000014477030 570892711 /nfs/dbraw/zinc/89/27/11/570892711.db2.gz YDGZRPPTVBWLSU-FJHFEUQMSA-N 0 0 385.121 7.127 40 10 GKCBRN CCCC1=NN(c2ccc(C(=O)OCC)cc2)C(=O)/C1=C/C=C/c1ccccc1 ZINC000036617118 570892884 /nfs/dbraw/zinc/89/28/84/570892884.db2.gz SFZJQKQXUSCGPU-DNVWBLEXSA-N 0 0 388.467 5.006 40 10 GKCBRN O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@@H](c1ccccc1)[C@@H]1CC=C[C@@H]21 ZINC000102070247 570901424 /nfs/dbraw/zinc/90/14/24/570901424.db2.gz QZQQJAYREODZAK-VIZSFHNOSA-N 0 0 385.894 6.398 40 10 GKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@H]21 ZINC000015228712 570903855 /nfs/dbraw/zinc/90/38/55/570903855.db2.gz VGNLYIWBQOMYOO-VEVIJQCQSA-N 0 0 391.254 5.737 40 10 GKCBRN CC(Nc1ccc(C)cc1C)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000017077031 570916485 /nfs/dbraw/zinc/91/64/85/570916485.db2.gz XNPZNKPFYRTQLJ-RGEXLXHISA-N 0 0 376.485 5.022 40 10 GKCBRN Cc1ccc(/N=N/c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)s2)cc1 ZINC000016291644 570921066 /nfs/dbraw/zinc/92/10/66/570921066.db2.gz FHYBMQBMXWLXCX-CYYJNZCTSA-N 0 0 397.547 8.559 40 10 GKCBRN COc1cc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC ZINC000222370622 570950380 /nfs/dbraw/zinc/95/03/80/570950380.db2.gz DGKGIADMRQEHSN-MSYCTHLASA-N 0 0 387.479 5.692 40 10 GKCBRN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2)N1CCCC1 ZINC000226724184 570954174 /nfs/dbraw/zinc/95/41/74/570954174.db2.gz RXIQXWWHWGMECL-XQBPLPMBSA-N 0 0 378.903 5.403 40 10 GKCBRN Clc1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)c(Cl)c1 ZINC000226831758 570954180 /nfs/dbraw/zinc/95/41/80/570954180.db2.gz DQKKEWQKADXMGC-VGTOOOLASA-N 0 0 385.121 7.127 40 10 GKCBRN Clc1ccc(Cl)c2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000226796204 570954313 /nfs/dbraw/zinc/95/43/13/570954313.db2.gz IQBXBMHOCUTHOR-IGCXYCKISA-N 0 0 395.127 6.582 40 10 GKCBRN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000226733459 570954250 /nfs/dbraw/zinc/95/42/50/570954250.db2.gz LIQUOSJBJNPBHV-QEEYODRMSA-N 0 0 398.846 5.251 40 10 GKCBRN CC(C)c1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226676795 570954264 /nfs/dbraw/zinc/95/42/64/570954264.db2.gz LDSOSPDYPHBWPJ-SIFCLUCFSA-N 0 0 392.757 7.597 40 10 GKCBRN Clc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)c(Cl)c1 ZINC000226831188 570954429 /nfs/dbraw/zinc/95/44/29/570954429.db2.gz ASYAFBZQLSQWBT-BWACUDIHSA-N 0 0 385.121 7.127 40 10 GKCBRN CC(C)c1ccc([C@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226676808 570954457 /nfs/dbraw/zinc/95/44/57/570954457.db2.gz LDSOSPDYPHBWPJ-QEEYODRMSA-N 0 0 392.757 7.597 40 10 GKCBRN COc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1OC ZINC000226854682 570954815 /nfs/dbraw/zinc/95/48/15/570954815.db2.gz JNGKVQMMQLTNHO-SIFCLUCFSA-N 0 0 386.289 5.293 40 10 GKCBRN Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21 ZINC000004718497 570991415 /nfs/dbraw/zinc/99/14/15/570991415.db2.gz DBCQRZTZYFFHEG-XEKQOVJPSA-N 0 0 375.255 6.037 40 10 GKCBRN CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(C(F)(F)F)c1)N2 ZINC000004624363 570992403 /nfs/dbraw/zinc/99/24/03/570992403.db2.gz ANSKEBAPMGMQFR-SQGPQFPESA-N 0 0 387.401 5.709 40 10 GKCBRN O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@H]32)c1 ZINC000014472676 230889508 /nfs/dbraw/zinc/88/95/08/230889508.db2.gz SOBXZPAYMNTNLZ-VNBZBWLYSA-N 0 0 395.673 6.382 40 10 GKCBRN O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1cccc2ccccc21 ZINC000009310681 230871356 /nfs/dbraw/zinc/87/13/56/230871356.db2.gz SYPSWZXGKKJGLL-UDWIEESQSA-N 0 0 386.501 5.727 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000020705810 230905859 /nfs/dbraw/zinc/90/58/59/230905859.db2.gz JNMLXRALTBBBMP-LPMFXHHGSA-N 0 0 385.807 5.291 40 10 GKCBRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000409338998 529382810 /nfs/dbraw/zinc/38/28/10/529382810.db2.gz CZDUVIFGSZGZON-VBEHJTROSA-N 0 0 387.501 5.409 40 10 GKCBRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000409343018 529383074 /nfs/dbraw/zinc/38/30/74/529383074.db2.gz FSJYUBZDYUFPLS-RBYWHNRPSA-N 0 0 397.565 5.887 40 10 GKCBRN CC[C@@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2ccccc2C)C1=O ZINC000409329195 529387173 /nfs/dbraw/zinc/38/71/73/529387173.db2.gz DTXBNGRJNIMWGV-DQPIFXJKSA-N 0 0 383.538 5.578 40 10 GKCBRN Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000113833239 231022456 /nfs/dbraw/zinc/02/24/56/231022456.db2.gz LXTJCIOWSVKSPZ-KGENOOAVSA-N 0 0 388.492 5.643 40 10 GKCBRN O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000113830651 231022465 /nfs/dbraw/zinc/02/24/65/231022465.db2.gz WYXUFYRKDICWGD-LDADJPATSA-N 0 0 392.461 5.154 40 10 GKCBRN Cc1ccc(COc2ccc3ccccc3c2C=C2SC(=S)NC2=O)cc1 ZINC000408532344 231052187 /nfs/dbraw/zinc/05/21/87/231052187.db2.gz UINRNWGWVHSMKN-NDENLUEZSA-N 0 0 391.517 5.216 40 10 GKCBRN O=C(Oc1ccc(Cl)cc1)c1ccc2nc3ccc4ccccc4c3nc2c1 ZINC000408720929 231104831 /nfs/dbraw/zinc/10/48/31/231104831.db2.gz BLRAKMKJZOMQNA-UHFFFAOYSA-N 0 0 384.822 5.809 40 10 GKCBRN Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000408817894 231118327 /nfs/dbraw/zinc/11/83/27/231118327.db2.gz MJKNNGYODLZILU-ZSOIEALJSA-N 0 0 381.284 5.067 40 10 GKCBRN Cc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3cccc(C)c3)C2=O)cc1 ZINC000408846092 231120415 /nfs/dbraw/zinc/12/04/15/231120415.db2.gz XKLSKSCABURQGJ-PXLXIMEGSA-N 0 0 386.882 5.791 40 10 GKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1C1CCCCC1 ZINC000408903503 231126945 /nfs/dbraw/zinc/12/69/45/231126945.db2.gz YVECFWZYFJOUSX-XSFVSMFZSA-N 0 0 396.581 6.016 40 10 GKCBRN O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCCC1 ZINC000408735489 231107320 /nfs/dbraw/zinc/10/73/20/231107320.db2.gz QPBSAVNTWNILBU-UHFFFAOYSA-N 0 0 392.462 5.717 40 10 GKCBRN Cc1cc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c(C)n1-c1ccccc1 ZINC000408735516 231107438 /nfs/dbraw/zinc/10/74/38/231107438.db2.gz TZEXYHUUHCYGLD-UHFFFAOYSA-N 0 0 375.497 5.350 40 10 GKCBRN Cc1cc(-c2nc(=O)c3c(C)c(C)sc3[nH]2)c(C)n1-c1cccc2ccccc21 ZINC000408735262 231107458 /nfs/dbraw/zinc/10/74/58/231107458.db2.gz PBPXKOZVCIJQPA-UHFFFAOYSA-N 0 0 399.519 6.241 40 10 GKCBRN Cc1cc(-c2nc(=O)c3c(C)c(C)sc3[nH]2)c(C)n1-c1cccc(Cl)c1 ZINC000408735208 231107646 /nfs/dbraw/zinc/10/76/46/231107646.db2.gz OMYHQKJBHIPBBB-UHFFFAOYSA-N 0 0 383.904 5.742 40 10 GKCBRN Cc1cc(C)c2c(c1)N[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)[C@H]1CC=C[C@@H]21 ZINC000408737420 231108818 /nfs/dbraw/zinc/10/88/18/231108818.db2.gz PRSPDZRFNNTKHQ-UMFSSWHCSA-N 0 0 395.502 6.349 40 10 GKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccccc2F)c1 ZINC000408751956 231111719 /nfs/dbraw/zinc/11/17/19/231111719.db2.gz FBICVTIENDUIBR-KGENOOAVSA-N 0 0 390.845 5.622 40 10 GKCBRN O=C1/C(=C\c2ccccc2)N=C(c2ccccc2F)N1c1ccc(Cl)cc1 ZINC000408751955 231111882 /nfs/dbraw/zinc/11/18/82/231111882.db2.gz ARERCEFFLQHLJX-XSFVSMFZSA-N 0 0 376.818 5.314 40 10 GKCBRN Cc1ccc(C2=N/C(=C/c3cccs3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000408766257 231112773 /nfs/dbraw/zinc/11/27/73/231112773.db2.gz SWPMNHBCHANNNK-CPNJWEJPSA-N 0 0 378.884 5.544 40 10 GKCBRN O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccc(F)cc2)N1c1ccccc1 ZINC000408763116 231112965 /nfs/dbraw/zinc/11/29/65/231112965.db2.gz HOCZGXRTTHNUAU-JJIBRWJFSA-N 0 0 392.433 5.813 40 10 GKCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2Cl)N1c1ccc(O)cc1 ZINC000408765481 231112968 /nfs/dbraw/zinc/11/29/68/231112968.db2.gz WFWXTTFYAVVIDL-DEDYPNTBSA-N 0 0 392.817 5.019 40 10 GKCBRN Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408764519 231113148 /nfs/dbraw/zinc/11/31/48/231113148.db2.gz UHWBVLWAUKLJPS-PXLXIMEGSA-N 0 0 386.882 5.791 40 10 GKCBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cccc(O)c2)cc1 ZINC000408784628 231114516 /nfs/dbraw/zinc/11/45/16/231114516.db2.gz WBJDLZMJKATJCO-CPNJWEJPSA-N 0 0 398.418 5.080 40 10 GKCBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000408961351 231136282 /nfs/dbraw/zinc/13/62/82/231136282.db2.gz RVQDXQTZWFTUSA-RGEXLXHISA-N 0 0 380.538 5.001 40 10 GKCBRN O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1c1cccc(F)c1 ZINC000408972309 231138604 /nfs/dbraw/zinc/13/86/04/231138604.db2.gz AGUSKWDNYNUPFB-AUWJEWJLSA-N 0 0 384.284 5.538 40 10 GKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(-c2ccccc2)cc1 ZINC000408968478 231138627 /nfs/dbraw/zinc/13/86/27/231138627.db2.gz ZIWNIKWZOGMDNK-UHFFFAOYSA-N 0 0 388.308 6.882 40 10 GKCBRN O=C(Nc1ccc2nc3ccc4ccccc4c3nc2c1)OCc1ccccc1 ZINC000408973899 231139235 /nfs/dbraw/zinc/13/92/35/231139235.db2.gz CGRQQOXGKQHZLN-UHFFFAOYSA-N 0 0 379.419 5.685 40 10 GKCBRN O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccccc1 ZINC000408974245 231139628 /nfs/dbraw/zinc/13/96/28/231139628.db2.gz DOHUSZQUVVHMHU-UHFFFAOYSA-N 0 0 399.453 6.342 40 10 GKCBRN Cc1cc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)ccc1F ZINC000408987064 231141634 /nfs/dbraw/zinc/14/16/34/231141634.db2.gz VJPVQGFJBBHCOT-XMHGGMMESA-N 0 0 389.857 6.259 40 10 GKCBRN Cc1c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cccc(C)c2n1C ZINC000409033078 231149251 /nfs/dbraw/zinc/14/92/51/231149251.db2.gz KVNOLHIAAMXINH-LDADJPATSA-N 0 0 397.400 5.144 40 10 GKCBRN Cc1[nH]c2ccc(C)cc2c1/C=C1/C(=O)N(c2ccccc2)N=C1C(F)(F)F ZINC000409041692 231150581 /nfs/dbraw/zinc/15/05/81/231150581.db2.gz JEXMEIVBMBPOOP-GZTJUZNOSA-N 0 0 383.373 5.133 40 10 GKCBRN Cc1ccc(NCc2cc(Br)cc(Br)c2O)cc1C ZINC000409114896 231164272 /nfs/dbraw/zinc/16/42/72/231164272.db2.gz QZABZHOSHOYSQC-UHFFFAOYSA-N 0 0 385.099 5.146 40 10 GKCBRN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000409167545 231173700 /nfs/dbraw/zinc/17/37/00/231173700.db2.gz IPVUQYZAZSLHDF-AGKHESDQSA-N 0 0 394.780 6.094 40 10 GKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)(C)C)cc1)N2 ZINC000409163520 231173593 /nfs/dbraw/zinc/17/35/93/231173593.db2.gz SPXGAZHKMGMWIS-WOIUINJBSA-N 0 0 376.500 6.336 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000409163788 231173630 /nfs/dbraw/zinc/17/36/30/231173630.db2.gz XVIOBPRPQSYKRW-SOZUMNATSA-N 0 0 384.228 6.839 40 10 GKCBRN Clc1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)cc1Cl ZINC000409151863 231171939 /nfs/dbraw/zinc/17/19/39/231171939.db2.gz IHRWRLDQORILQW-QFSBIZTOSA-N 0 0 395.127 6.582 40 10 GKCBRN Clc1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)cc1Cl ZINC000409151860 231172372 /nfs/dbraw/zinc/17/23/72/231172372.db2.gz IHRWRLDQORILQW-PEBVRCNWSA-N 0 0 395.127 6.582 40 10 GKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000409157734 231172662 /nfs/dbraw/zinc/17/26/62/231172662.db2.gz VRBJABFNZPHLHY-NQCMUKECSA-N 0 0 389.282 6.345 40 10 GKCBRN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc31)N2 ZINC000409157301 231172824 /nfs/dbraw/zinc/17/28/24/231172824.db2.gz IHMMOVGWEHAGLG-QLVMHMETSA-N 0 0 376.843 6.228 40 10 GKCBRN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc31)N2 ZINC000409157270 231172963 /nfs/dbraw/zinc/17/29/63/231172963.db2.gz UUOPGXNZYVTKLT-BLIXFSHQSA-N 0 0 376.843 6.228 40 10 GKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@@H]21 ZINC000409159520 231172979 /nfs/dbraw/zinc/17/29/79/231172979.db2.gz NESQQICDIJCBEG-SEDUGSJDSA-N 0 0 391.254 5.737 40 10 GKCBRN Cc1cc(/C=C2\Sc3ccccc3NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409089546 231156769 /nfs/dbraw/zinc/15/67/69/231156769.db2.gz NZTRLFRUGFMBAZ-NDENLUEZSA-N 0 0 380.900 5.833 40 10 GKCBRN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2)N1CCCCC1 ZINC000409381611 231198208 /nfs/dbraw/zinc/19/82/08/231198208.db2.gz UZIIACNQCVQSNC-QTEQDKRBSA-N 0 0 392.930 5.793 40 10 GKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(C)(C)C)cc1)N2 ZINC000409163521 231173751 /nfs/dbraw/zinc/17/37/51/231173751.db2.gz SPXGAZHKMGMWIS-XQBPLPMBSA-N 0 0 376.500 6.336 40 10 GKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000409165685 231173824 /nfs/dbraw/zinc/17/38/24/231173824.db2.gz AXNJIZCMYMFGLM-VBHSOAQHSA-N 0 0 383.335 6.551 40 10 GKCBRN O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(F)cc(Br)cc2[C@H]2C=CC[C@@H]21 ZINC000409164491 231173902 /nfs/dbraw/zinc/17/39/02/231173902.db2.gz JHHBPVRODWEGKF-NVGCLXPQSA-N 0 0 389.224 5.323 40 10 GKCBRN Fc1cc(Br)cc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000409165291 231173916 /nfs/dbraw/zinc/17/39/16/231173916.db2.gz VYUPFVBQPRFACV-JKIFEVAISA-N 0 0 378.672 6.068 40 10 GKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000409164170 231173920 /nfs/dbraw/zinc/17/39/20/231173920.db2.gz DKUVCLFOHHLQTQ-PJIJBLCYSA-N 0 0 399.834 5.600 40 10 GKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@@H]21 ZINC000409163203 231173995 /nfs/dbraw/zinc/17/39/95/231173995.db2.gz NMJZWGJDQLUNBT-PJIJBLCYSA-N 0 0 375.255 6.037 40 10 GKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000409167365 231174016 /nfs/dbraw/zinc/17/40/16/231174016.db2.gz IOCNABKIJXEALE-LPMFXHHGSA-N 0 0 389.282 6.345 40 10 GKCBRN O=C1/C(=C/C=C\c2ccccc2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409176711 231175459 /nfs/dbraw/zinc/17/54/59/231175459.db2.gz VUZDLIWPKRYKDR-HASPRUBHSA-N 0 0 375.877 5.441 40 10 GKCBRN O=C1/C(=C\c2cccc(Cl)c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409181306 231175614 /nfs/dbraw/zinc/17/56/14/231175614.db2.gz AUIRFSLIRSKOBT-VGOFMYFVSA-N 0 0 384.284 5.538 40 10 GKCBRN COc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)c2ccccc12 ZINC000409326379 231189892 /nfs/dbraw/zinc/18/98/92/231189892.db2.gz BDQHTEZNXODOEB-MOSHPQCFSA-N 0 0 391.517 5.563 40 10 GKCBRN CCn1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)c2ccccc21 ZINC000409326869 231189919 /nfs/dbraw/zinc/18/99/19/231189919.db2.gz FPVMBNLYYLQGLL-XDHOZWIPSA-N 0 0 378.522 5.375 40 10 GKCBRN CCOc1ccccc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O ZINC000409329951 231190903 /nfs/dbraw/zinc/19/09/03/231190903.db2.gz IIFJMPQISWZCBA-YBEGLDIGSA-N 0 0 375.902 5.145 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)C)cc3)SC2=S)c(C)c1 ZINC000409335636 231191621 /nfs/dbraw/zinc/19/16/21/231191621.db2.gz XXJUQBMMQOTEGT-XDHOZWIPSA-N 0 0 383.538 5.496 40 10 GKCBRN CCn1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000409338810 231191865 /nfs/dbraw/zinc/19/18/65/231191865.db2.gz BMPWTLGFOSPKMO-WOJGMQOQSA-N 0 0 398.940 5.720 40 10 GKCBRN CCOc1ccccc1/C=C1\SC(=S)N(c2cccc3ccccc32)C1=O ZINC000409348591 231193633 /nfs/dbraw/zinc/19/36/33/231193633.db2.gz NOOPGBDEQXKCKA-ZHZULCJRSA-N 0 0 391.517 5.644 40 10 GKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(C)C)cc3)SC2=S)cc1 ZINC000409347371 231193639 /nfs/dbraw/zinc/19/36/39/231193639.db2.gz LYNPSHBNZLIGSL-XDHOZWIPSA-N 0 0 383.538 5.436 40 10 GKCBRN CCc1ccc(NCc2cc(Br)cc(Br)c2O)cc1 ZINC000409114115 529688022 /nfs/dbraw/zinc/68/80/22/529688022.db2.gz CKEYGVROMQYBBW-UHFFFAOYSA-N 0 0 385.099 5.092 40 10 GKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1C ZINC000408852087 529733666 /nfs/dbraw/zinc/73/36/66/529733666.db2.gz HZUDIULAMUAHJM-LFVJCYFKSA-N 0 0 397.522 5.771 40 10 GKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)c1C ZINC000409020687 529733806 /nfs/dbraw/zinc/73/38/06/529733806.db2.gz SBQQSNTXTRGXNZ-NPRIEWAGSA-N 0 0 396.556 5.800 40 10 GKCBRN CN(C)c1ccc(/C=C2\C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc1 ZINC000409050849 529775144 /nfs/dbraw/zinc/77/51/44/529775144.db2.gz BEHHXYDNWFLMSR-CAPFRKAQSA-N 0 0 383.447 5.526 40 10 GKCBRN CC(=O)Nc1ccc2c(c1)/C(=C\C=C/c1ccc(N(C)C)cc1)c1ccccc1-2 ZINC000017285009 210207214 /nfs/dbraw/zinc/20/72/14/210207214.db2.gz KAMGWGIWDCGLRR-WJQCMIEDSA-N 0 0 380.491 5.837 40 10 GKCBRN Cc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C ZINC000225056951 222667959 /nfs/dbraw/zinc/66/79/59/222667959.db2.gz JXSORFKRDIEYSR-OAQYLSRUSA-N 0 0 378.560 5.350 40 10 GKCBRN